*HEADER    TRANSCRIPTION                           27-MAY-03   1PFJ              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL PH/PTB DOMAIN OF THE             
*TITLE    2 TFIIH P62 SUBUNIT                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TFIIH BASAL TRANSCRIPTION FACTOR COMPLEX P62               
*COMPND   3 SUBUNIT;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: N-TERMINAL PH/PTB DOMAIN;                                  
*COMPND   6 SYNONYM: BASIC TRANSCRIPTION FACTOR 62 KDA SUBUNIT, BTF2-            
*COMPND   7 P62, GENERAL TRANSCRIPTION FACTOR IIH POLYPEPTIDE 1;                 
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: GTF2H1 OR BTF2;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
*KEYWDS    PH/PTB DOMAIN                                                         
*EXPDTA    NMR, 19 STRUCTURES                                                    
*AUTHOR    V.GERVAIS, V.LAMOUR, A.JAWHARI, F.FRINDEL, E.WASIELEWSKI,             
*AUTHOR   2 J.C.THIERRY, B.KIEFFER, A.POTERSZMAN                                 
*REVDAT   1   08-JUN-04 1PFJ    0                                                
!! NOE RESTRAINTS :
assign ( resid  15 and name    HN )    ( resid  24 and name    HN )     4.200 2.200 1.800 !   177 
assign ( resid  94 and name    HN )    ( resid  96 and name    HN )     4.200 2.200 1.800 !   178 
assign ( resid  81 and name    HA )    ( resid  82 and name    HN )     2.700 0.900 0.900 !   211 
assign ( resid  13 and name    HA )    ( resid  15 and name    HN )     3.900 1.900 1.900 !   220 
assign ( resid  27 and name   HB2 )    ( resid  28 and name    HN )     4.000 2.000 2.000 !   253 
assign ( resid  69 and name  HD1# )    ( resid  72 and name    HN )     3.900 1.900 1.900 !   273
assign ( resid  53 and name   HG2 )    ( resid 103 and name   HE# )     3.600 1.600 1.600 !   306 
assign ( resid  99 and name  HD2# )    ( resid 103 and name   HE# )     2.400 0.700 2.700 !   307 
assign ( resid  53 and name   HG1 )    ( resid 103 and name   HE# )     3.600 1.600 1.600 !   310 
assign ( resid  99 and name   HB2 )    ( resid 103 and name   HE# )     3.300 1.400 1.400 !   311 
assign ( resid  15 and name  HG2# )    ( resid  79 and name   HD# )     3.200 1.300 1.300 !   319 
assign ( resid  94 and name    HA )    ( resid  98 and name    HN )     5.600 3.900 0.400 !   321 
assign ( resid  24 and name    HA )    ( resid  25 and name   HD# )     3.100 1.200 1.200 !   327 
assign ( resid  93 and name    HA )    ( resid  97 and name  HE22 )     3.400 1.500 1.500 !   337 
assign ( resid  32 and name   HB# )    ( resid  41 and name   HD# )     3.000 1.100 1.100 !   338 
assign ( resid 103 and name   HE# )    ( resid  47 and name   HD# )     2.700 0.900 0.900 !   341 
assign ( resid  24 and name  HD2# )    ( resid  77 and name   HD# )     3.300 1.400 1.400 !   345 
assign ( resid  29 and name    HA )    ( resid  30 and name    HN )     2.600 0.800 0.800 !   353 
assign ( resid  72 and name   HA2 )    ( resid  73 and name    HN )     3.300 1.400 1.400 !   356 
assign ( resid  84 and name    HA )    ( resid  85 and name    HN )     3.100 1.200 1.200 !   360 
assign ( resid  63 and name    HA )    ( resid  64 and name    HN )     2.300 0.600 0.600 !   385 
assign ( resid  78 and name    HA )    ( resid  79 and name    HN )     2.400 0.700 0.700 !   388 
assign ( resid  22 and name    HN )    ( resid  21 and name    HN )     4.400 2.400 1.600 !   389 
assign ( resid  20 and name    HA )    ( resid  21 and name    HN )     2.200 0.600 0.600 !   392 
assign ( resid  73 and name   HB1 )    ( resid  74 and name    HN )     3.400 1.400 1.400 !   396 
assign ( resid  74 and name    HA )    ( resid  75 and name    HN )     2.300 0.700 0.700 !   400 
assign ( resid  74 and name    HB )    ( resid  75 and name    HN )     3.400 1.400 1.400 !   401 
assign ( resid  41 and name   HB2 )    ( resid  43 and name    HN )     3.900 1.900 1.900 !   404 
assign ( resid  22 and name   HA2 )    ( resid  33 and name   HE1 )     3.900 1.900 1.900 !   408 
assign ( resid  80 and name    HN )    ( resid  16 and name    HN )     4.000 2.000 2.000 !   409 
assign ( resid  92 and name    HN )    ( resid  94 and name    HN )     4.100 2.100 1.900 !   414 
assign ( resid 103 and name    HA )    ( resid 104 and name    HN )     3.000 1.100 1.100 !   417 
assign ( resid  14 and name    HA )    ( resid  15 and name    HN )     2.500 0.800 0.800 !   418 
assign ( resid  33 and name    HA )    ( resid  25 and name    HN )     3.200 1.300 1.300 !   430 
assign ( resid  22 and name   HA1 )    ( resid  23 and name    HN )     3.500 1.500 1.500 !   443 
assign ( resid  70 and name    HA )    ( resid  71 and name    HN )     3.400 1.400 1.400 !   447 
assign ( resid  69 and name   HB2 )    ( resid  70 and name    HN )     3.000 1.100 1.100 !   449 
assign ( resid 104 and name    HN )    ( resid 105 and name    HN )     3.900 1.900 1.900 !   465 
assign ( resid  16 and name    HE )    ( resid  15 and name    HN )     4.400 2.500 1.600 !   470 
assign ( resid  15 and name  HG2# )    ( resid  16 and name    HN )     3.100 1.200 1.200 !   471 
assign ( resid  15 and name    HA )    ( resid  16 and name    HN )     2.300 0.700 0.700 !   472 
assign ( resid  49 and name    HA )    ( resid  50 and name    HN )     3.400 1.500 1.500 !   490 
assign ( resid  49 and name   HB1 )    ( resid  50 and name    HN )     3.900 1.900 1.900 !   491 
assign ( resid  69 and name  HD1# )    ( resid  70 and name    HN )     4.000 2.000 2.000 !   499 
assign ( resid  69 and name  HD2# )    ( resid  70 and name    HN )     4.700 2.800 1.300 !   500 
assign ( resid  69 and name    HA )    ( resid  70 and name    HN )     2.400 0.700 0.700 !   501 
assign ( resid  47 and name    HA )    ( resid  50 and name    HN )     3.300 1.800 1.800 !   502
assign ( resid  67 and name  HD1# )    ( resid  68 and name    HN )     3.600 1.600 1.600 !   508 
assign ( resid  68 and name    HB )    ( resid  52 and name    HN )     3.200 1.300 1.300 !   513 
assign ( resid  52 and name   HB1 )    ( resid  53 and name    HN )     3.900 1.900 1.900 !   515 
assign ( resid  68 and name    HB )    ( resid  69 and name    HN )     4.200 2.200 1.800 !   518 
assign ( resid  69 and name   HB1 )    ( resid  72 and name    HN )     3.600 1.200 1.200 !   520
assign ( resid  71 and name   HB# )    ( resid  72 and name    HN )     3.100 1.200 1.200 !   521 
assign ( resid  50 and name  HG2# )    ( resid  51 and name    HN )     3.000 1.200 1.200 !   524 
assign ( resid  50 and name    HA )    ( resid  51 and name    HN )     3.400 0.800 0.800 !   525
assign ( resid  48 and name    HA )    ( resid  49 and name    HN )     3.400 1.400 1.400 !   533 
assign ( resid  48 and name   HB# )    ( resid  49 and name    HN )     3.000 1.100 1.100 !   535 
assign ( resid  24 and name  HD2# )    ( resid  78 and name    HN )     6.000 6.000 0.000 !   547 
assign ( resid  24 and name   HB1 )    ( resid  78 and name    HN )     6.200 3.400 0.800 !   548 
assign ( resid  14 and name   HB1 )    ( resid  15 and name    HN )     4.100 2.100 1.900 !   549 
assign ( resid  54 and name   HB1 )    ( resid  67 and name    HN )     3.700 1.700 1.700 !   550 
assign ( resid  23 and name   HB# )    ( resid  24 and name    HN )     3.200 1.300 1.300 !   553 
assign ( resid  23 and name    HA )    ( resid  15 and name    HN )     3.100 1.200 1.200 !   557 
assign ( resid  25 and name    HN )    ( resid  34 and name    HN )     5.200 3.400 0.800 !   558 
assign ( resid  84 and name    HB )    ( resid  85 and name    HN )     4.200 2.200 1.800 !   563 
assign ( resid  84 and name  HG2# )    ( resid  85 and name    HN )     3.800 1.800 1.800 !   565 
assign ( resid  96 and name    HG )    ( resid  97 and name    HN )     3.500 1.500 1.500 !   568 
assign ( resid  96 and name  HD1# )    ( resid  97 and name    HN )     4.000 2.000 2.000 !   569 
assign ( resid  16 and name    HA )    ( resid  17 and name    HN )     2.300 0.600 0.600 !   582 
assign ( resid  23 and name    HA )    ( resid  24 and name    HN )     2.200 0.600 0.600 !   584 
assign ( resid  97 and name    HN )    ( resid  96 and name    HN )     2.700 0.900 0.900 !   587 
assign ( resid  97 and name    HN )    ( resid  98 and name    HN )     2.600 0.800 0.800 !   589 
assign ( resid  95 and name    HA )    ( resid  96 and name    HN )     3.200 1.300 1.300 !   593 
assign ( resid  95 and name    HG )    ( resid  96 and name    HN )     3.700 1.700 1.700 !   599 
assign ( resid  94 and name    HA )    ( resid  95 and name    HN )     3.300 1.300 1.300 !   604 
assign ( resid  94 and name   HB1 )    ( resid  95 and name    HN )     3.300 1.300 1.300 !   610 
assign ( resid  94 and name   HB2 )    ( resid  95 and name    HN )     3.300 1.400 1.400 !   611 
assign ( resid  16 and name   HG1 )    ( resid  21 and name    HN )     4.600 2.700 1.400 !   612 
assign ( resid  97 and name    HA )    ( resid  98 and name    HN )     3.200 1.300 1.300 !   624 
assign ( resid  28 and name   HB# )    ( resid   7 and name    HN )     2.800 1.000 1.000 !   629 
assign ( resid  92 and name    HA )    ( resid  93 and name    HN )     3.400 1.400 1.400 !   637 
assign ( resid  29 and name   HG1 )    ( resid  30 and name    HN )     4.300 2.300 1.700 !   643 
assign ( resid  31 and name    HB )    ( resid  47 and name   HD# )     2.800 1.000 1.000 !   644 
assign ( resid  29 and name   HB1 )    ( resid  47 and name   HD# )     4.200 2.200 1.800 !   646 
assign ( resid  30 and name    HN )    ( resid  28 and name    HN )     4.700 2.800 1.300 !   649 
assign ( resid  27 and name   HG1 )    ( resid  28 and name    HN )     2.100 0.500 0.500 !   655 
assign ( resid  28 and name   HB# )    ( resid  29 and name    HN )     2.600 0.800 0.800 !   658 
assign ( resid  99 and name  HD1# )    ( resid  47 and name   HD# )     2.400 0.700 0.700 !   660 
assign ( resid  30 and name   HB2 )    ( resid  31 and name    HN )     1.900 0.500 0.500 !   664 
assign ( resid  30 and name    HA )    ( resid  31 and name    HN )     2.600 0.900 0.900 !   666 
assign ( resid  24 and name    HG )    ( resid  23 and name    HN )     5.100 3.200 0.900 !   668 
assign ( resid  46 and name    HA )    ( resid  47 and name    HN )     2.200 0.600 0.600 !   670 
assign ( resid  13 and name   HB2 )    ( resid  14 and name    HN )     3.000 1.100 1.100 !   673 
assign ( resid  13 and name   HD1 )    ( resid  14 and name    HN )     3.400 1.500 1.500 !   675 
assign ( resid  13 and name   HG2 )    ( resid  14 and name    HN )     4.100 2.100 1.900 !   676 
assign ( resid  25 and name    HA )    ( resid  26 and name    HN )     2.300 0.600 0.600 !   678 
assign ( resid  11 and name  HG12 )    ( resid  25 and name    HN )     4.000 2.000 2.000 !   681 
assign ( resid  31 and name  HD1# )    ( resid  25 and name    HN )     4.700 2.800 1.300 !   682 
assign ( resid   8 and name  HG2# )    ( resid  26 and name    HN )     3.800 1.400 1.400 !   684
assign ( resid  65 and name   HB1 )    ( resid  66 and name    HN )     3.600 1.600 1.600 !   688 
assign ( resid  98 and name   HB2 )    ( resid  99 and name    HN )     3.400 1.400 1.400 !   696 
assign ( resid  93 and name   HG2 )    ( resid  97 and name  HE22 )     3.700 1.700 1.700 !   707 
assign ( resid  12 and name  HG1# )    ( resid  93 and name    HN )     4.400 2.400 1.600 !   710 
assign ( resid  11 and name    HA )    ( resid  12 and name    HN )     2.200 0.600 0.600 !   715 
assign ( resid  10 and name    HN )    ( resid  11 and name    HN )     4.100 2.100 1.900 !   716 
assign ( resid  26 and name  HD1# )    ( resid  27 and name    HN )     3.900 1.900 1.900 !   721 
assign ( resid  45 and name   HB2 )    ( resid  46 and name    HN )     4.700 2.800 1.300 !   726 
assign ( resid  31 and name    HA )    ( resid  32 and name    HN )     2.300 0.600 0.600 !   730 
assign ( resid  31 and name  HG2# )    ( resid  32 and name    HN )     3.300 1.400 1.400 !   731 
assign ( resid   2 and name   HB# )    ( resid   3 and name    HN )     4.100 2.100 1.900 !   744 
assign ( resid  42 and name    HA )    ( resid  43 and name    HN )     3.500 1.500 1.500 !   746 
assign ( resid  42 and name  HG2# )    ( resid  43 and name    HN )     3.100 1.200 1.200 !   749 
assign ( resid  41 and name   HB2 )    ( resid  42 and name    HN )     4.100 2.100 1.900 !   750 
assign ( resid   7 and name   HB2 )    ( resid   8 and name    HN )     3.500 1.500 1.500 !   751 
assign ( resid  50 and name    HA )    ( resid  70 and name    HN )     3.400 1.400 1.400 !   760 
assign ( resid  70 and name   HB1 )    ( resid  71 and name    HN )     4.800 2.900 1.200 !   761 
assign ( resid  86 and name    HN )    ( resid  85 and name    HN )     2.900 0.700 0.700 !   763
assign ( resid  85 and name   HB# )    ( resid  86 and name    HN )     2.800 1.000 1.000 !   765 
assign ( resid  86 and name    HN )    ( resid  87 and name    HN )     3.300 1.000 1.000 !   772
assign ( resid  91 and name    HN )    ( resid  90 and name    HN )     2.600 0.900 0.900 !   773 
assign ( resid  16 and name   HB2 )    ( resid  17 and name    HN )     4.000 2.000 2.000 !   777 
assign ( resid  33 and name    HN )    ( resid  34 and name    HN )     4.600 2.600 1.400 !   785 
assign ( resid  31 and name  HG12 )    ( resid  32 and name    HN )     4.300 2.300 1.700 !   789 
assign ( resid  31 and name    HB )    ( resid  32 and name    HN )     3.800 1.800 1.800 !   790 
assign ( resid  30 and name    HN )    ( resid  31 and name    HN )     3.900 1.900 1.900 !   791 
assign ( resid  53 and name    HA )    ( resid  54 and name    HN )     2.600 0.900 0.900 !   797 
assign ( resid  53 and name   HG2 )    ( resid  54 and name    HN )     4.500 2.600 1.500 !   799 
assign ( resid  12 and name    HN )    ( resid  11 and name    HN )     4.400 2.400 1.600 !   800 
assign ( resid  33 and name    HA )    ( resid  34 and name    HN )     2.300 0.600 0.600 !   801 
assign ( resid  21 and name    HA )    ( resid  22 and name    HN )     2.100 0.500 0.500 !   812 
assign ( resid  67 and name  HD1# )    ( resid  54 and name    HN )     4.300 2.300 1.700 !   818 
assign ( resid   6 and name    HN )    ( resid   7 and name    HN )     4.300 2.300 1.700 !   831 
assign ( resid  91 and name    HA )    ( resid  92 and name    HN )     3.400 1.500 1.500 !   834 
assign ( resid  87 and name    HN )    ( resid  88 and name    HN )     2.600 0.900 0.900 !   846 
assign ( resid  88 and name    HA )    ( resid  89 and name    HN )     3.400 1.500 1.500 !   847 
assign ( resid  26 and name    HN )    ( resid  27 and name    HN )     4.400 2.400 1.600 !   855 
assign ( resid  18 and name    HA )    ( resid  19 and name    HN )     3.100 1.200 1.200 !   858 
assign ( resid  66 and name    HA )    ( resid  67 and name    HN )     2.500 0.800 0.800 !   869 
assign ( resid  77 and name    HZ )    ( resid  24 and name    HN )     4.700 2.800 1.300 !   873 
assign ( resid  79 and name    HA )    ( resid  80 and name    HN )     2.600 0.900 0.900 !   882 
assign ( resid  74 and name  HG2# )    ( resid  66 and name    HN )     4.000 2.000 2.000 !   888 
assign ( resid  11 and name  HG2# )    ( resid  12 and name    HN )     3.400 1.400 1.400 !   894 
assign ( resid  11 and name  HG2# )    ( resid  13 and name    HN )     4.400 2.400 1.600 !   895 
assign ( resid  84 and name    HB )    ( resid  81 and name  HD22 )     4.000 2.000 2.000 !   899 
assign ( resid  84 and name  HG2# )    ( resid  81 and name  HD22 )     3.200 1.200 1.200 !   900 
assign ( resid  12 and name  HG1# )    ( resid  13 and name    HN )     4.200 2.200 1.800 !   903 
assign ( resid  11 and name    HB )    ( resid  13 and name    HN )     5.200 2.500 1.500 !   905
assign ( resid  13 and name    HA )    ( resid  14 and name    HN )     2.500 0.800 0.800 !   907 
assign ( resid  20 and name   HG2 )    ( resid  17 and name    HN )     4.600 2.600 1.400 !   908 
assign ( resid  20 and name   HB2 )    ( resid  17 and name    HN )     4.700 2.800 1.300 !   909 
assign ( resid  30 and name    HN )    ( resid  27 and name    HN )     3.200 1.200 1.200 !   910 
assign ( resid   5 and name   HB1 )    ( resid   6 and name    HN )     3.400 1.400 1.400 !   914 
assign ( resid   7 and name    HA )    ( resid   8 and name    HN )     2.200 0.600 0.600 !   918 
assign ( resid  10 and name    HG )    ( resid  11 and name    HN )     2.500 0.800 0.800 !   920 
assign ( resid  24 and name  HD1# )    ( resid  12 and name    HN )     4.900 3.000 1.100 !   922 
assign ( resid  50 and name    HN )    ( resid  49 and name    HN )     2.500 0.800 0.800 !   932 
assign ( resid  72 and name    HN )    ( resid  71 and name    HN )     3.100 1.200 1.200 !   933 
assign ( resid  85 and name    HN )    ( resid  83 and name    HN )     4.500 2.600 1.500 !   952 
assign ( resid  24 and name    HA )    ( resid  25 and name    HN )     2.200 0.600 0.600 !   953 
assign ( resid  41 and name    HA )    ( resid  42 and name    HN )     2.400 0.700 0.700 !   956 
assign ( resid  15 and name    HB )    ( resid  33 and name   HE1 )     2.700 0.900 0.900 !   960 
assign ( resid  15 and name    HA )    ( resid  80 and name    HN )     3.200 1.300 1.300 !   961 
assign ( resid  16 and name    HA )    ( resid  33 and name   HE1 )     4.200 2.200 1.800 !   962 
assign ( resid  69 and name  HD1# )    ( resid  51 and name    HN )     4.900 3.100 1.100 !   964 
assign ( resid  69 and name    HA )    ( resid  51 and name    HN )     3.000 1.100 1.100 !   965 
assign ( resid  73 and name    HN )    ( resid  69 and name    HN )     3.400 1.400 1.400 !   969 
assign ( resid  70 and name    HN )    ( resid  69 and name    HN )     4.900 3.000 1.100 !   970 
assign ( resid  66 and name   HG1 )    ( resid  67 and name    HN )     3.800 1.800 1.800 !   979 
assign ( resid  66 and name   HG2 )    ( resid  67 and name    HN )     4.200 2.200 1.800 !   980 
assign ( resid  76 and name    HA )    ( resid  67 and name    HN )     3.800 1.800 1.800 !   988 
assign ( resid  70 and name    HA )    ( resid  51 and name    HN )     4.400 2.400 1.600 !   993 
assign ( resid  69 and name  HD1# )    ( resid  73 and name    HN )     5.000 3.100 1.000 !   995 
assign ( resid  86 and name    HB )    ( resid  88 and name    HN )     3.500 1.500 1.500 !  1004 
assign ( resid  75 and name    HA )    ( resid  76 and name    HN )     2.400 0.700 0.700 !  1010 
assign ( resid  78 and name   HD2 )    ( resid  79 and name    HN )     3.000 1.100 1.100 !  1014 
assign ( resid  45 and name    HA )    ( resid  46 and name    HN )     2.600 0.800 0.800 !  1024 
assign ( resid  65 and name    HA )    ( resid  66 and name    HN )     2.300 0.700 0.700 !  1030 
assign ( resid  77 and name    HA )    ( resid  78 and name    HN )     2.400 0.700 0.700 !  1031 
assign ( resid   8 and name    HA )    ( resid  10 and name    HN )     4.200 2.200 1.800 !  1032 
assign ( resid  90 and name    HA )    ( resid  93 and name    HN )     3.400 1.200 1.200 !  1033
assign ( resid  26 and name    HA )    ( resid  27 and name    HN )     2.300 0.600 0.600 !  1035 
assign ( resid  20 and name    HN )    ( resid  21 and name    HN )     4.000 2.000 2.000 !  1036 
assign ( resid   6 and name    HA )    ( resid   7 and name    HN )     2.200 0.600 0.600 !  1038 
assign ( resid   5 and name    HA )    ( resid   6 and name    HN )     3.000 1.100 1.100 !  1039 
assign ( resid  34 and name    HA )    ( resid  43 and name    HN )     4.800 2.800 1.200 !  1041 
assign ( resid  23 and name    HA )    ( resid  14 and name    HN )     3.100 1.200 1.200 !  1043 
assign ( resid  13 and name    HN )    ( resid  12 and name    HN )     4.200 2.200 1.800 !  1044 
assign ( resid  33 and name   HB2 )    ( resid  34 and name    HN )     4.400 2.400 1.600 !  1048 
assign ( resid  33 and name   HB1 )    ( resid  34 and name    HN )     3.300 1.400 1.400 !  1049 
assign ( resid  77 and name   HB1 )    ( resid  78 and name    HN )     4.800 2.900 1.200 !  1053 
assign ( resid  32 and name   HB# )    ( resid  25 and name    HN )     4.200 2.200 1.800 !  1058 
assign ( resid  17 and name   HB2 )    ( resid  18 and name    HN )     3.500 1.500 1.500 !  1062 
assign ( resid  25 and name   HB1 )    ( resid  26 and name    HN )     3.800 1.800 1.800 !  1063 
assign ( resid  61 and name    HA )    ( resid  63 and name    HN )     5.200 2.700 1.300 !  1068
assign ( resid  53 and name   HB2 )    ( resid  54 and name    HN )     4.700 2.800 1.300 !  1073 
assign ( resid  18 and name   HB1 )    ( resid  19 and name    HN )     3.000 1.100 1.100 !  1086 
assign ( resid  18 and name   HB2 )    ( resid  19 and name    HN )     2.800 1.000 1.000 !  1087 
assign ( resid 101 and name   HD2 )    ( resid 100 and name    HN )     2.700 0.900 0.900 !  1091 
assign ( resid  96 and name    HA )    ( resid 100 and name    HN )     3.400 1.500 1.500 !  1092 
assign ( resid  91 and name    HA )    ( resid  94 and name    HN )     3.400 1.200 1.200 !  1102
assign ( resid   7 and name   HG2 )    ( resid   8 and name    HN )     3.500 1.600 1.600 !  1106 
assign ( resid  88 and name   HG1 )    ( resid  89 and name    HN )     2.600 0.800 0.800 !  1108 
assign ( resid  88 and name   HG2 )    ( resid  89 and name    HN )     3.800 1.800 1.800 !  1109 
assign ( resid  96 and name    HA )    ( resid  99 and name    HN )     3.500 1.600 1.600 !  1114 
assign ( resid  43 and name  HG2# )    ( resid  44 and name    HN )     4.500 2.600 1.500 !  1118 
assign ( resid  40 and name   HG2 )    ( resid  41 and name    HN )     4.200 2.200 1.800 !  1123 
assign ( resid  41 and name   HB1 )    ( resid  43 and name    HN )     3.700 1.700 1.700 !  1132 
assign ( resid  22 and name   HA2 )    ( resid  23 and name    HN )     2.400 0.700 0.700 !  1133 
assign ( resid  19 and name   HB2 )    ( resid  20 and name    HN )     4.100 2.100 1.900 !  1137 
assign ( resid  86 and name  HG2# )    ( resid  87 and name    HN )     3.100 1.200 1.200 !  1138 
assign ( resid  57 and name   HG1 )    ( resid  65 and name    HN )     3.700 1.700 1.700 !  1148 
assign ( resid  93 and name   HB2 )    ( resid  79 and name   HE# )     3.000 1.100 1.100 !  1150 
assign ( resid 103 and name   HB2 )    ( resid  47 and name   HD# )     4.400 2.400 1.600 !  1158 
assign ( resid  43 and name  HD1# )    ( resid  77 and name   HD# )     3.300 1.400 1.400 !  1163 
assign ( resid  31 and name    HB )    ( resid  77 and name   HE# )     4.800 2.800 1.200 !  1172 
assign ( resid  59 and name    HN )    ( resid  60 and name    HN )     4.100 2.100 1.900 !  1174 
assign ( resid  25 and name   HD# )    ( resid  26 and name    HN )     2.700 0.900 0.900 !  1177 
assign ( resid  25 and name   HD# )    ( resid  12 and name    HN )     4.000 2.000 2.000 !  1178 
assign ( resid  11 and name    HA )    ( resid  26 and name    HN )     2.900 1.000 1.000 !  1179 
assign ( resid   9 and name    HN )    ( resid  28 and name    HN )     4.500 2.500 1.500 !  1180 
assign ( resid   8 and name    HN )    ( resid   9 and name    HN )     4.800 2.900 1.200 !  1181 
assign ( resid  26 and name    HN )    ( resid   9 and name    HN )     4.400 2.400 1.600 !  1182
assign ( resid  45 and name    HN )    ( resid  44 and name    HN )     4.600 2.700 1.400 !  1183 
assign ( resid  10 and name    HA )    ( resid  26 and name    HN )     4.500 2.500 1.500 !  1186 
assign ( resid  74 and name    HA )    ( resid  68 and name    HA )     3.700 1.700 1.700 !  1188 
assign ( resid  76 and name    HA )    ( resid  66 and name    HA )     3.800 1.800 1.800 !  1191 
assign ( resid  16 and name    HN )    ( resid  15 and name    HN )     4.500 2.500 1.500 !  1195 
assign ( resid   3 and name    HN )    ( resid   4 and name    HN )     3.700 1.700 1.700 !  1197 
assign ( resid  27 and name    HA )    ( resid  10 and name    HN )     4.600 2.600 1.400 !  1202 
assign ( resid  12 and name    HA )    ( resid  13 and name    HN )     2.100 0.600 0.600 !  1204 
assign ( resid  22 and name    HN )    ( resid  16 and name    HN )     4.700 2.800 1.300 !  1206 
assign ( resid  15 and name  HG1# )    ( resid  16 and name    HN )     3.500 1.500 1.500 !  1208 
assign ( resid  93 and name    HA )    ( resid  96 and name    HN )     3.200 1.300 1.300 !  1210 
assign ( resid  33 and name    HN )    ( resid  32 and name    HN )     4.700 2.800 1.300 !  1211 
assign ( resid  15 and name  HG1# )    ( resid  24 and name    HN )     4.000 2.000 2.000 !  1213 
assign ( resid  15 and name    HB )    ( resid  24 and name    HN )     3.300 1.400 1.400 !  1214 
assign ( resid  16 and name    HE )    ( resid  17 and name    HN )     4.100 2.100 1.900 !  1215 
assign ( resid  98 and name    HN )    ( resid  96 and name    HN )     4.000 2.000 2.000 !  1217 
assign ( resid  25 and name   HD# )    ( resid  34 and name    HN )     3.600 1.600 1.600 !  1222 
assign ( resid  41 and name   HD# )    ( resid  34 and name    HN )     4.200 2.200 1.800 !  1223 
assign ( resid  33 and name    HA )    ( resid  23 and name    HN )     4.500 2.500 1.500 !  1224 
assign ( resid  96 and name    HA )    ( resid  97 and name    HN )     3.300 1.400 1.400 !  1225 
assign ( resid  20 and name   HG2 )    ( resid  21 and name    HN )     3.200 1.300 1.300 !  1228 
assign ( resid  20 and name   HB1 )    ( resid  17 and name    HN )     4.800 2.800 1.200 !  1229 
assign ( resid  24 and name    HN )    ( resid  25 and name    HN )     4.500 2.500 1.500 !  1231 
assign ( resid  26 and name    HA )    ( resid  32 and name    HN )     2.700 0.900 0.900 !  1235 
assign ( resid  32 and name    HA )    ( resid  34 and name    HN )     5.300 3.500 0.700 !  1236 
assign ( resid  42 and name    HN )    ( resid  41 and name    HN )     4.400 2.400 1.600 !  1238 
assign ( resid  47 and name    HA )    ( resid  48 and name    HN )     3.300 1.400 1.400 !  1240 
assign ( resid  51 and name    HA )    ( resid  52 and name    HN )     2.200 2.000 2.000 !  1241
assign ( resid  68 and name    HN )    ( resid  67 and name    HN )     4.300 2.300 1.700 !  1242 
assign ( resid  52 and name    HN )    ( resid  53 and name    HN )     4.900 2.900 1.100 !  1244 
assign ( resid  63 and name    HN )    ( resid  78 and name   HD2 )     3.200 1.300 1.300 !  1248 
assign ( resid  65 and name    HN )    ( resid  64 and name    HN )     4.200 2.200 1.800 !  1249 
assign ( resid  66 and name    HN )    ( resid  65 and name    HN )     4.200 1.800 1.800 !  1251
assign ( resid  65 and name    HN )    ( resid  64 and name  HE21 )     4.100 2.100 1.900 !  1254 
assign ( resid  34 and name    HA )    ( resid  33 and name   HE1 )     4.500 2.500 1.500 !  1279 
assign ( resid  25 and name   HE# )    ( resid  34 and name    HN )     4.200 2.200 1.800 !  1282 
assign ( resid  33 and name    HA )    ( resid  25 and name   HD# )     3.300 1.400 1.400 !  1284 
assign ( resid  11 and name  HD1# )    ( resid  25 and name   HD# )     4.200 2.200 1.800 !  1287 
assign ( resid  11 and name  HG2# )    ( resid  25 and name   HD# )     3.800 1.800 1.800 !  1288 
assign ( resid  11 and name  HD1# )    ( resid  25 and name   HE# )     3.900 1.900 1.900 !  1289 
assign ( resid  11 and name  HG2# )    ( resid  25 and name   HE# )     3.600 1.600 1.600 !  1290 
assign ( resid  11 and name  HG11 )    ( resid  25 and name   HD# )     3.000 1.100 1.100 !  1291 
assign ( resid  11 and name  HG11 )    ( resid  25 and name   HE# )     2.600 0.900 0.900 !  1292 
assign ( resid  11 and name  HG11 )    ( resid  12 and name    HN )     4.700 2.800 1.300 !  1293 
assign ( resid  78 and name   HB2 )    ( resid  16 and name    HN )     4.900 3.000 1.100 !  1295 
assign ( resid  78 and name   HB1 )    ( resid  16 and name    HN )     4.000 2.000 2.000 !  1296 
assign ( resid  78 and name    HA )    ( resid  79 and name   HD# )     3.300 1.300 1.300 !  1312 
assign ( resid  64 and name    HA )    ( resid  79 and name   HD# )     2.800 1.000 1.000 !  1314 
assign ( resid  76 and name    HA )    ( resid  77 and name   HD# )     4.500 2.500 1.500 !  1321 
assign ( resid  77 and name   HD# )    ( resid  78 and name    HN )     2.900 1.000 1.000 !  1329 
assign ( resid  34 and name    HA )    ( resid  41 and name   HD# )     4.100 2.100 1.900 !  1336 
assign ( resid  41 and name    HZ )    ( resid  25 and name   HD# )     4.000 2.000 2.000 !  1340 
assign ( resid  41 and name   HE# )    ( resid  25 and name   HD# )     2.300 0.700 0.700 !  1348 
assign ( resid 103 and name   HB2 )    ( resid 104 and name    HN )     4.400 2.500 1.600 !  1353 
assign ( resid 102 and name    HN )    ( resid 103 and name    HN )     2.600 0.800 0.800 !  1356 
assign ( resid 104 and name    HN )    ( resid 103 and name   HD# )     3.600 1.600 1.600 !  1359 
assign ( resid  25 and name   HE# )    ( resid  23 and name    HN )     5.300 3.400 0.700 !  1360 
assign ( resid  53 and name  HE21 )    ( resid 103 and name   HE# )     3.100 1.200 1.200 !  1362 
assign ( resid 102 and name    HA )    ( resid 103 and name   HD# )     4.700 2.800 1.300 !  1366 
assign ( resid  63 and name  HD1# )    ( resid  64 and name    HN )     3.800 1.800 1.800 !  1371 
assign ( resid  16 and name    HA )    ( resid  20 and name    HN )     3.500 1.500 1.500 !  1372 
assign ( resid  19 and name   HB1 )    ( resid  20 and name    HN )     3.700 1.700 1.700 !  1374 
assign ( resid  17 and name  HE22 )    ( resid  33 and name   HH2 )     4.400 2.400 1.600 !  1375 
assign ( resid  97 and name   HB2 )    ( resid  98 and name    HN )     2.900 1.000 1.000 !  1377 
assign ( resid  33 and name   HB1 )    ( resid  77 and name   HD# )     4.200 2.200 1.800 !  1381 
assign ( resid  33 and name   HB2 )    ( resid  77 and name   HD# )     4.000 2.000 2.000 !  1382 
assign ( resid  33 and name   HB1 )    ( resid  77 and name   HE# )     3.900 1.900 1.900 !  1383 
assign ( resid  33 and name   HB2 )    ( resid  77 and name   HE# )     3.300 1.400 1.400 !  1384 
assign ( resid  33 and name    HA )    ( resid  41 and name   HD# )     4.100 2.100 1.900 !  1387 
assign ( resid  77 and name    HZ )    ( resid  25 and name    HN )     4.200 2.200 1.800 !  1388 
assign ( resid  31 and name    HA )    ( resid  47 and name   HD# )     4.100 2.200 1.900 !  1389 
assign ( resid  33 and name    HA )    ( resid  77 and name    HZ )     3.400 1.400 1.400 !  1390 
assign ( resid  78 and name    HA )    ( resid  64 and name    HA )     2.800 1.000 1.000 !  1391 
assign ( resid  64 and name   HB1 )    ( resid  65 and name    HN )     3.600 1.600 1.600 !  1394 
assign ( resid  64 and name    HA )    ( resid  79 and name   HE# )     3.800 1.800 1.800 !  1402 
assign ( resid  64 and name    HA )    ( resid  78 and name   HD2 )     4.600 2.700 1.400 !  1403 
assign ( resid  64 and name    HA )    ( resid  65 and name    HN )     2.400 0.700 0.700 !  1404 
assign ( resid  92 and name    HB )    ( resid  79 and name    HZ )     3.500 1.500 1.500 !  1408 
assign ( resid  64 and name   HB1 )    ( resid  63 and name    HA )     4.400 2.400 1.600 !  1413 
assign ( resid  78 and name    HA )    ( resid  64 and name   HG2 )     5.100 3.300 0.900 !  1419 
assign ( resid  78 and name    HA )    ( resid  64 and name   HG1 )     5.000 3.200 1.000 !  1420 
assign ( resid  78 and name    HA )    ( resid  64 and name   HB2 )     3.400 1.400 1.400 !  1421 
assign ( resid  78 and name    HA )    ( resid  64 and name   HB1 )     3.300 1.400 1.400 !  1422 
assign ( resid  32 and name    HA )    ( resid  33 and name   HB2 )     4.800 2.800 1.200 !  1425 
assign ( resid  32 and name    HA )    ( resid  33 and name   HB1 )     5.500 3.700 0.500 !  1426 
assign ( resid  34 and name    HA )    ( resid  42 and name    HA )     4.700 2.800 1.300 !  1430 
assign ( resid  34 and name    HA )    ( resid  42 and name    HB )     3.400 1.400 1.400 !  1431 
assign ( resid  24 and name   HB2 )    ( resid  25 and name    HN )     3.900 1.900 1.900 !  1445 
assign ( resid  24 and name   HB1 )    ( resid  25 and name    HN )     4.700 2.700 1.300 !  1446 
assign ( resid  24 and name  HD1# )    ( resid  25 and name    HN )     5.300 3.500 0.700 !  1448 
assign ( resid  78 and name   HB2 )    ( resid  16 and name   HB2 )     4.900 3.000 1.100 !  1457 
assign ( resid  78 and name   HB1 )    ( resid  16 and name   HB2 )     3.900 1.900 1.900 !  1458 
assign ( resid  78 and name   HB2 )    ( resid  16 and name   HB1 )     4.200 2.200 1.800 !  1459 
assign ( resid  78 and name   HB1 )    ( resid  16 and name   HB1 )     2.900 1.000 1.000 !  1460 
assign ( resid  78 and name   HB2 )    ( resid  16 and name   HG2 )     4.900 3.000 1.100 !  1461 
assign ( resid  78 and name   HB1 )    ( resid  16 and name   HG2 )     3.500 1.500 1.500 !  1462 
assign ( resid  78 and name   HB1 )    ( resid  16 and name   HG1 )     2.500 0.800 0.800 !  1463 
assign ( resid 103 and name    HA )    ( resid 102 and name   HB1 )     3.100 1.200 1.200 !  1465 
assign ( resid  93 and name    HA )    ( resid  65 and name   HB2 )     3.500 1.600 1.600 !  1466 
assign ( resid  27 and name   HG1 )    ( resid  29 and name    HN )     3.200 1.300 1.300 !  1468 
assign ( resid   8 and name    HA )    ( resid  27 and name   HG2 )     4.200 2.200 1.800 !  1473 
assign ( resid   8 and name    HA )    ( resid  27 and name   HG1 )     3.500 1.500 1.500 !  1474 
assign ( resid   8 and name    HA )    ( resid  27 and name   HB2 )     3.300 1.000 1.000 !  1475
assign ( resid   8 and name    HA )    ( resid  27 and name   HB1 )     4.000 2.000 2.000 !  1476 
assign ( resid  45 and name   HB1 )    ( resid  46 and name    HN )     4.200 2.200 1.800 !  1477 
assign ( resid  57 and name   HG1 )    ( resid  66 and name    HN )     5.000 3.200 1.000 !  1488 
assign ( resid  31 and name  HG11 )    ( resid  32 and name    HN )     3.900 1.900 1.900 !  1489 
assign ( resid  26 and name   HB2 )    ( resid  27 and name    HN )     4.300 2.300 1.700 !  1490 
assign ( resid  13 and name    HA )    ( resid  23 and name   HB# )     2.600 0.900 0.900 !  1498 
assign ( resid  74 and name    HA )    ( resid  68 and name  HG2# )     5.100 3.200 0.900 !  1509 
assign ( resid  74 and name    HA )    ( resid  68 and name  HG1# )     3.900 1.900 1.900 !  1510 
assign ( resid  74 and name  HG2# )    ( resid  69 and name    HN )     4.300 2.300 1.700 !  1511 
assign ( resid  44 and name    HA )    ( resid  32 and name    HA )     3.300 1.400 1.400 !  1512 
assign ( resid  44 and name    HA )    ( resid  45 and name    HN )     2.400 0.700 0.700 !  1513 
assign ( resid  67 and name    HA )    ( resid  53 and name    HA )     3.900 1.900 1.900 !  1515 
assign ( resid   9 and name   HB1 )    ( resid  10 and name    HN )     3.200 0.600 0.600 !  1523
assign ( resid  69 and name    HG )    ( resid  71 and name    HN )     4.700 2.700 1.300 !  1524 
assign ( resid 104 and name   HB2 )    ( resid 105 and name    HN )     3.500 1.500 1.500 !  1525 
assign ( resid 104 and name   HB1 )    ( resid 105 and name    HN )     3.000 1.100 1.100 !  1526 
assign ( resid  24 and name   HB2 )    ( resid  77 and name   HE# )     4.200 2.200 1.800 !  1528 
assign ( resid  49 and name    HA )    ( resid  70 and name   HE1 )     4.700 2.800 1.300 !  1531 
assign ( resid  49 and name    HA )    ( resid  70 and name   HD2 )     2.400 0.700 0.700 !  1532 
assign ( resid  50 and name    HA )    ( resid  70 and name   HD2 )     4.100 2.100 1.900 !  1533 
assign ( resid  51 and name    HA )    ( resid  70 and name   HD2 )     4.100 2.100 1.900 !  1534 
assign ( resid  49 and name   HB1 )    ( resid  70 and name   HD2 )     3.900 1.900 1.900 !  1535 
assign ( resid  48 and name   HB# )    ( resid  70 and name   HD2 )     4.600 2.600 1.400 !  1536 
assign ( resid  31 and name    HA )    ( resid  30 and name    HE )     4.300 2.300 1.700 !  1539 
assign ( resid  94 and name    HA )    ( resid  97 and name    HN )     4.600 2.700 1.400 !  1541
assign ( resid  88 and name   HB1 )    ( resid  89 and name    HN )     3.300 1.400 1.400 !  1544 
assign ( resid  89 and name    HE )    ( resid  86 and name    HN )     3.700 0.900 0.900 !  1545
assign ( resid  23 and name    HA )    ( resid  12 and name    HN )     4.000 2.000 2.000 !  1547 
assign ( resid  68 and name  HG1# )    ( resid  75 and name    HN )     5.400 3.700 0.600 !  1548 
assign ( resid  68 and name  HG2# )    ( resid  75 and name    HN )     5.800 4.200 0.200 !  1549 
assign ( resid  67 and name    HA )    ( resid  68 and name    HN )     2.200 0.600 0.600 !  1550 
assign ( resid  70 and name   HB2 )    ( resid  71 and name    HN )     4.700 2.800 1.300 !  1551 
assign ( resid  90 and name   HB2 )    ( resid  91 and name    HN )     3.000 1.100 1.100 !  1552 
assign ( resid  55 and name  HD1# )    ( resid  56 and name    HN )     3.000 1.100 1.100 !  1560 
assign ( resid  55 and name    HA )    ( resid  56 and name    HN )     2.400 0.700 0.700 !  1561 
assign ( resid  65 and name   HB2 )    ( resid  66 and name    HN )     4.600 2.600 1.400 !  1564 
assign ( resid  65 and name    HG )    ( resid  66 and name    HN )     3.200 1.300 1.300 !  1565 
assign ( resid  88 and name   HG2 )    ( resid  89 and name    HE )     3.700 1.700 1.700 !  1567 
assign ( resid  63 and name    HB )    ( resid  79 and name   HD# )     4.700 2.700 1.300 !  1568 
assign ( resid  88 and name    HA )    ( resid  89 and name    HE )     4.200 2.200 1.800 !  1575 
assign ( resid  88 and name   HB2 )    ( resid  89 and name    HN )     4.100 2.100 1.900 !  1576 
assign ( resid  88 and name   HB2 )    ( resid  89 and name    HE )     4.100 2.100 1.900 !  1577 
assign ( resid  88 and name   HB1 )    ( resid  89 and name    HE )     3.600 1.700 1.700 !  1578 
assign ( resid  77 and name    HZ )    ( resid  33 and name   HE1 )     2.900 1.100 1.100 !  1579 
assign ( resid  15 and name    HN )    ( resid  33 and name   HE1 )     3.600 1.600 1.600 !  1580 
assign ( resid  15 and name    HA )    ( resid  33 and name   HE1 )     4.000 2.000 2.000 !  1583 
assign ( resid  15 and name  HG1# )    ( resid  33 and name   HE1 )     3.400 1.500 1.500 !  1584 
assign ( resid  15 and name  HG2# )    ( resid  33 and name   HE1 )     3.300 1.400 1.400 !  1585 
assign ( resid  69 and name  HD2# )    ( resid  72 and name    HN )     4.800 1.300 1.300 !  1589
assign ( resid  43 and name  HD1# )    ( resid  45 and name   HE1 )     2.900 1.100 1.100 !  1593 
assign ( resid  69 and name  HD2# )    ( resid  73 and name    HN )     4.100 2.100 1.900 !  1594 
assign ( resid  63 and name  HG12 )    ( resid  79 and name   HD# )     2.400 0.700 0.700 !  1596 
assign ( resid  63 and name  HG2# )    ( resid  79 and name   HD# )     3.700 1.700 1.700 !  1597 
assign ( resid  63 and name  HD1# )    ( resid  79 and name   HD# )     4.800 2.900 1.200 !  1598 
assign ( resid  78 and name    HA )    ( resid  79 and name   HE# )     4.300 2.300 1.700 !  1599 
assign ( resid  15 and name  HG2# )    ( resid  79 and name   HE# )     3.500 1.600 1.600 !  1600 
assign ( resid  24 and name  HD2# )    ( resid  79 and name    HZ )     4.800 2.900 1.200 !  1601 
assign ( resid  12 and name  HG1# )    ( resid  79 and name   HD# )     4.300 2.300 1.700 !  1602 
assign ( resid  92 and name  HG1# )    ( resid  79 and name   HD# )     4.100 2.100 1.900 !  1603 
assign ( resid  24 and name  HD2# )    ( resid  12 and name    HN )     4.100 1.200 1.200 !  1605 
assign ( resid  24 and name  HD1# )    ( resid  78 and name    HN )     5.800 4.200 0.200 !  1606 
assign ( resid  24 and name  HD1# )    ( resid  79 and name   HD# )     4.700 2.700 1.300 !  1607 
assign ( resid  24 and name  HD1# )    ( resid  79 and name   HE# )     2.800 1.000 1.000 !  1608 
assign ( resid  24 and name  HD1# )    ( resid  79 and name    HZ )     2.700 0.900 0.900 !  1609 
assign ( resid  12 and name  HG2# )    ( resid  79 and name   HD# )     2.400 0.700 0.700 !  1610 
assign ( resid  12 and name  HG1# )    ( resid  79 and name   HE# )     2.700 0.900 0.900 !  1611 
assign ( resid  12 and name  HG1# )    ( resid  79 and name    HZ )     4.800 2.900 1.200 !  1612 
assign ( resid  12 and name  HG2# )    ( resid  79 and name   HE# )     2.500 0.800 0.800 !  1613 
assign ( resid  12 and name  HG2# )    ( resid  79 and name    HZ )     4.900 3.000 1.100 !  1614 
assign ( resid  15 and name  HG2# )    ( resid  24 and name    HN )     4.000 2.000 2.000 !  1615 
assign ( resid  24 and name  HD2# )    ( resid  33 and name   HE1 )     5.300 3.500 0.700 !  1616 
assign ( resid  24 and name  HD1# )    ( resid  33 and name   HE1 )     5.000 3.100 1.000 !  1617 
assign ( resid  24 and name    HG )    ( resid  33 and name   HE1 )     4.800 2.900 1.200 !  1618 
assign ( resid  95 and name    HA )    ( resid  98 and name    HN )     3.400 1.500 1.500 !  1619 
assign ( resid  93 and name    HA )    ( resid  97 and name  HE21 )     3.700 1.800 1.800 !  1629 
assign ( resid  93 and name   HG1 )    ( resid  97 and name  HE22 )     4.900 2.900 1.100 !  1630 
assign ( resid  33 and name   HE1 )    ( resid  23 and name    HN )     3.300 1.400 1.400 !  1631 
assign ( resid  92 and name  HG2# )    ( resid  79 and name    HZ )     2.400 0.700 0.700 !  1634 
assign ( resid  92 and name  HG2# )    ( resid  79 and name   HE# )     2.400 0.700 0.700 !  1635 
assign ( resid  17 and name   HB1 )    ( resid  33 and name   HZ2 )     3.600 1.700 1.700 !  1637 
assign ( resid  17 and name   HB2 )    ( resid  33 and name   HZ2 )     4.500 2.600 1.500 !  1638 
assign ( resid  33 and name   HB2 )    ( resid  77 and name    HZ )     2.900 1.000 1.000 !  1639 
assign ( resid  33 and name   HB1 )    ( resid  77 and name    HZ )     3.800 1.800 1.800 !  1640 
assign ( resid  24 and name    HA )    ( resid  77 and name    HZ )     3.000 1.100 1.100 !  1641 
assign ( resid  33 and name    HA )    ( resid  77 and name   HE# )     5.100 3.300 0.900 !  1644 
assign ( resid  22 and name   HA1 )    ( resid  33 and name   HE1 )     5.000 3.100 1.000 !  1651 
assign ( resid  77 and name   HD# )    ( resid  33 and name   HE1 )     4.800 2.800 1.200 !  1654 
assign ( resid  77 and name   HE# )    ( resid  33 and name   HE1 )     3.700 1.700 1.700 !  1655 
assign ( resid 101 and name   HD2 )    ( resid 102 and name    HN )     3.600 1.600 1.600 !  1659 
assign ( resid 101 and name   HD1 )    ( resid 102 and name    HN )     3.600 1.600 1.600 !  1660 
assign ( resid 101 and name   HD1 )    ( resid  99 and name    HN )     4.700 2.800 1.300 !  1661 
assign ( resid 101 and name   HD2 )    ( resid  99 and name    HN )     4.100 2.100 1.900 !  1662 
assign ( resid  41 and name    HZ )    ( resid  25 and name   HE# )     3.800 1.900 1.900 !  1663 
assign ( resid  41 and name   HE# )    ( resid  25 and name   HE# )     3.500 1.500 1.500 !  1664 
assign ( resid  63 and name  HG12 )    ( resid  64 and name    HN )     3.600 1.600 1.600 !  1675 
assign ( resid  67 and name    HG )    ( resid  68 and name    HN )     4.200 2.200 1.800 !  1680 
assign ( resid  32 and name   HB# )    ( resid  45 and name    HN )     4.800 2.900 1.200 !  1681 
assign ( resid  25 and name    HA )    ( resid  10 and name    HN )     5.200 3.400 0.800 !  1682 
assign ( resid  45 and name   HB1 )    ( resid  69 and name  HD2# )     3.500 1.500 1.500 !  1694 
assign ( resid  50 and name    HA )    ( resid  69 and name   HB1 )     5.200 3.400 0.800 !  1698 
assign ( resid  50 and name    HA )    ( resid  69 and name   HB2 )     4.300 2.300 1.700 !  1699 
assign ( resid  50 and name    HA )    ( resid  69 and name  HD2# )     4.200 2.200 1.800 !  1700 
assign ( resid  50 and name    HA )    ( resid  69 and name  HD1# )     3.000 1.100 1.100 !  1701 
assign ( resid  49 and name    HA )    ( resid  69 and name  HD2# )     5.100 2.600 1.400 !  1703 
assign ( resid  49 and name    HA )    ( resid  69 and name  HD1# )     4.600 2.700 1.400 !  1704 
assign ( resid  11 and name  HG12 )    ( resid  25 and name   HD# )     3.000 1.100 1.100 !  1715 
assign ( resid  11 and name    HB )    ( resid  25 and name   HD# )     3.400 1.400 1.400 !  1716 
assign ( resid  11 and name  HG12 )    ( resid  25 and name   HE# )     2.900 1.000 1.000 !  1717 
assign ( resid  11 and name    HB )    ( resid  25 and name   HE# )     4.100 2.100 1.900 !  1718 
assign ( resid  15 and name  HG1# )    ( resid  24 and name    HG )     3.400 1.400 1.400 !  1734 
assign ( resid  15 and name  HG2# )    ( resid  24 and name    HG )     2.500 0.800 0.800 !  1735 
assign ( resid  14 and name   HB2 )    ( resid  15 and name    HN )     4.500 2.500 1.500 !  1741 
assign ( resid  12 and name    HB )    ( resid  15 and name  HG2# )     3.300 1.300 1.300 !  1742 
assign ( resid  12 and name    HB )    ( resid  15 and name  HG1# )     2.600 0.900 3.000 !  1743 
assign ( resid  59 and name    HN )    ( resid  58 and name    HN )     3.500 1.500 1.500 !  1769 
assign ( resid  58 and name    HA )    ( resid  59 and name    HN )     3.200 1.200 1.200 !  1772 
assign ( resid  60 and name    HA )    ( resid  61 and name    HN )     3.700 1.700 1.700 !  1774 
assign ( resid  59 and name   HA2 )    ( resid  60 and name    HN )     4.100 2.100 1.900 !  1775 
assign ( resid  59 and name   HA1 )    ( resid  60 and name    HN )     3.400 1.500 1.500 !  1776 
assign ( resid  98 and name    HA )    ( resid  97 and name    HN )     3.600 1.600 1.600 !  1778 
assign ( resid  60 and name   HB2 )    ( resid  61 and name    HN )     5.400 3.700 0.600 !  1781 
assign ( resid  60 and name   HB1 )    ( resid  61 and name    HN )     4.200 2.200 1.800 !  1782 
assign ( resid  61 and name    HA )    ( resid  62 and name    HN )     4.600 2.700 1.400 !  1785 
assign ( resid  61 and name   HB# )    ( resid  62 and name    HN )     3.000 1.100 1.100 !  1786 
assign ( resid   8 and name  HG2# )    ( resid  25 and name   HD# )     3.200 0.900 0.900 !  1791
assign ( resid   8 and name  HG2# )    ( resid  25 and name   HE# )     3.700 1.700 1.700 !  1792
assign ( resid  62 and name    HA )    ( resid  63 and name    HN )     2.300 0.700 0.700 !  1793 
assign ( resid  95 and name    HA )    ( resid  99 and name    HN )     4.000 2.000 2.000 !  1794 
assign ( resid  58 and name   HB1 )    ( resid  59 and name    HN )     2.700 0.900 0.900 !  1800 
assign ( resid  58 and name   HG2 )    ( resid  59 and name    HN )     3.900 1.900 1.900 !  1801 
assign ( resid  80 and name    HA )    ( resid  81 and name    HN )     2.600 0.800 0.800 !  1803 
assign ( resid  11 and name    HA )    ( resid  24 and name    HN )     4.600 2.700 1.400 !  1804 
assign ( resid  82 and name    HA )    ( resid  83 and name    HN )     3.100 1.200 1.200 !  1805 
assign ( resid  81 and name    HN )    ( resid  82 and name    HN )     4.500 2.500 1.500 !  1809 
assign ( resid  11 and name    HB )    ( resid  25 and name    HN )     4.300 2.300 1.700 !  1813 
assign ( resid  25 and name   HB1 )    ( resid  41 and name   HE# )     4.200 2.200 1.800 !  1817 
assign ( resid  25 and name   HB2 )    ( resid  41 and name   HE# )     4.100 2.100 1.900 !  1818 
assign ( resid  25 and name   HB1 )    ( resid  41 and name    HZ )     5.200 3.400 0.800 !  1819 
assign ( resid  25 and name   HB2 )    ( resid  41 and name    HZ )     5.500 3.700 0.500 !  1820 
assign ( resid  66 and name   HB1 )    ( resid  67 and name    HN )     2.900 1.000 1.000 !  1822 
assign ( resid  95 and name    HA )    ( resid  98 and name  HE21 )     3.400 1.500 1.500 !  1823 
assign ( resid  95 and name    HA )    ( resid  98 and name  HE22 )     4.900 3.100 1.100 !  1824 
assign ( resid  20 and name   HB2 )    ( resid  33 and name   HH2 )     3.500 1.500 1.500 !  1825 
assign ( resid  20 and name   HG1 )    ( resid  33 and name   HH2 )     2.600 0.900 0.900 !  1826 
assign ( resid  20 and name   HG2 )    ( resid  33 and name   HH2 )     3.400 1.500 1.500 !  1827 
assign ( resid  53 and name   HB1 )    ( resid  54 and name    HN )     3.600 1.600 1.600 !  1833 
assign ( resid  93 and name    HA )    ( resid  94 and name    HN )     3.400 1.500 1.500 !  1834 
assign ( resid  48 and name    HA )    ( resid  50 and name    HN )     3.600 1.600 1.600 !  1835 
assign ( resid  38 and name    HA )    ( resid  40 and name    HN )     4.000 2.000 2.000 !  1836 
assign ( resid  40 and name    HA )    ( resid  41 and name   HD# )     4.800 2.800 1.200 !  1837 
assign ( resid  38 and name    HA )    ( resid  39 and name    HN )     3.000 1.100 1.100 !  1839 
assign ( resid  37 and name   HA1 )    ( resid  38 and name    HN )     3.200 1.300 1.300 !  1841 
assign ( resid  37 and name   HA2 )    ( resid  38 and name    HN )     4.500 2.600 1.500 !  1842 
assign ( resid  81 and name   HB2 )    ( resid  82 and name    HN )     3.200 1.300 1.300 !  1845 
assign ( resid  76 and name    HA )    ( resid  66 and name   HG2 )     3.700 1.700 1.700 !  1847 
assign ( resid  76 and name   HB1 )    ( resid  77 and name    HN )     3.200 1.300 1.300 !  1848 
assign ( resid  76 and name   HB2 )    ( resid  77 and name    HN )     3.900 1.900 1.900 !  1849 
assign ( resid  76 and name   HB2 )    ( resid  77 and name   HD# )     3.900 1.900 1.900 !  1851 
assign ( resid  76 and name   HB1 )    ( resid  77 and name   HD# )     5.000 3.100 1.000 !  1852 
assign ( resid  66 and name    HA )    ( resid  76 and name   HB2 )     5.400 3.700 0.600 !  1853 
assign ( resid  66 and name    HA )    ( resid  76 and name   HB1 )     5.400 3.700 0.600 !  1854 
assign ( resid 100 and name    HA )    ( resid 101 and name   HD2 )     4.500 2.600 1.500 !  1864 
assign ( resid 100 and name    HA )    ( resid 101 and name   HD1 )     4.500 2.500 1.500 !  1865 
assign ( resid  98 and name   HG2 )    ( resid 101 and name   HD1 )     4.600 2.600 1.400 !  1881 
assign ( resid  98 and name   HG2 )    ( resid 101 and name   HD2 )     5.300 3.500 0.700 !  1882 
assign ( resid   5 and name   HB2 )    ( resid   6 and name   HB1 )     3.800 1.800 1.800 !  1885 
assign ( resid  42 and name    HA )    ( resid  34 and name   HB# )     2.100 0.600 2.600 !  1891 
assign ( resid  42 and name    HB )    ( resid  34 and name   HB# )     2.600 0.500 0.500 !  1892 
assign ( resid  45 and name   HB1 )    ( resid  69 and name  HD1# )     3.100 1.200 1.200 !  1893 
assign ( resid  73 and name   HB1 )    ( resid  69 and name  HD1# )     4.600 2.600 1.400 !  1894 
assign ( resid  73 and name   HB2 )    ( resid  69 and name  HD1# )     4.700 2.700 1.300 !  1895 
assign ( resid  73 and name   HB2 )    ( resid  69 and name  HD2# )     3.300 1.400 1.400 !  1896 
assign ( resid  73 and name   HB1 )    ( resid  69 and name  HD2# )     3.200 1.300 1.300 !  1897 
assign ( resid  32 and name   HB# )    ( resid  41 and name   HB2 )     4.500 2.500 1.500 !  1901 
assign ( resid  44 and name   HB1 )    ( resid  32 and name   HB# )     3.100 1.200 1.200 !  1902 
assign ( resid  44 and name   HB2 )    ( resid  32 and name   HB# )     4.700 2.700 1.300 !  1903 
assign ( resid  92 and name    HN )    ( resid  91 and name    HN )     2.600 0.800 0.800 !  1934 
assign ( resid  95 and name    HN )    ( resid  97 and name    HN )     4.800 2.900 1.200 !  1937 
assign ( resid  93 and name    HN )    ( resid  95 and name    HN )     4.400 2.400 1.600 !  1938 
assign ( resid  27 and name    HN )    ( resid  30 and name    HE )     3.300 1.300 1.300 !  1945 
assign ( resid  15 and name    HN )    ( resid  33 and name   HZ2 )     4.800 2.900 1.200 !  1946 
assign ( resid  43 and name    HN )    ( resid  41 and name   HD# )     2.800 0.900 0.900 !  1947 
assign ( resid  88 and name    HN )    ( resid  89 and name    HE )     4.600 2.700 1.400 !  1948 
assign ( resid 103 and name   HD# )    ( resid 102 and name    HN )     3.800 1.900 1.900 !  1951 
assign ( resid  41 and name   HD# )    ( resid  33 and name    HN )     3.800 1.800 1.800 !  1955 
assign ( resid  41 and name   HD# )    ( resid  42 and name    HN )     4.500 2.500 1.500 !  1956 
assign ( resid  65 and name  HD1# )    ( resid  77 and name   HD# )     3.000 1.100 1.100 !  1960 
assign ( resid  92 and name    HB )    ( resid  79 and name   HE# )     3.600 1.600 1.600 !  1962 
assign ( resid  92 and name  HG1# )    ( resid  91 and name    HN )     4.600 2.600 1.400 !  1964 
assign ( resid  92 and name  HG2# )    ( resid  91 and name    HN )     4.500 2.500 1.500 !  1965 
assign ( resid  92 and name    HB )    ( resid  91 and name    HN )     4.700 2.800 1.300 !  1966 
assign ( resid  33 and name    HA )    ( resid  77 and name   HD# )     5.500 3.800 0.500 !  1971 
assign ( resid  34 and name    HN )    ( resid  33 and name   HZ3 )     4.700 2.200 1.800 !  1972 
assign ( resid  45 and name   HB2 )    ( resid  47 and name   HE# )     4.300 2.300 1.700 !  1978 
assign ( resid 103 and name   HB1 )    ( resid  48 and name    HN )     4.600 2.600 1.400 !  1980 
assign ( resid  25 and name   HB1 )    ( resid  41 and name   HD# )     4.300 2.300 1.700 !  1984 
assign ( resid  25 and name   HB2 )    ( resid  41 and name   HD# )     3.100 1.200 1.200 !  1985 
assign ( resid  15 and name    HB )    ( resid  77 and name    HZ )     4.000 2.000 2.000 !  1987 
assign ( resid  30 and name   HB2 )    ( resid  45 and name   HD2 )     3.200 1.200 1.200 !  1989 
assign ( resid  43 and name  HD1# )    ( resid  45 and name   HD2 )     3.200 1.300 1.300 !  1991 
assign ( resid  75 and name  HG2# )    ( resid  45 and name   HD2 )     2.800 1.000 1.000 !  1992 
assign ( resid  69 and name  HD1# )    ( resid  45 and name   HD2 )     3.800 1.800 1.800 !  1993 
assign ( resid  77 and name   HE# )    ( resid  45 and name   HD2 )     3.800 1.800 1.800 !  1995 
assign ( resid  77 and name   HD# )    ( resid  45 and name   HD2 )     3.900 1.900 1.900 !  1997 
assign ( resid  23 and name    HA )    ( resid  77 and name    HZ )     5.700 4.100 0.300 !  2001 
assign ( resid  96 and name  HD2# )    ( resid  97 and name    HN )     3.900 1.900 1.900 !  2005 
assign ( resid  24 and name  HD2# )    ( resid  77 and name    HZ )     2.800 1.000 1.000 !  2009 
assign ( resid  15 and name  HG2# )    ( resid  77 and name    HZ )     4.000 2.000 2.000 !  2010 
assign ( resid  24 and name  HD1# )    ( resid  77 and name    HZ )     4.300 2.300 1.700 !  2011 
assign ( resid  24 and name    HG )    ( resid  77 and name    HZ )     2.900 1.000 1.000 !  2012 
assign ( resid  24 and name  HD2# )    ( resid  77 and name   HE# )     3.100 1.200 1.200 !  2013 
assign ( resid  13 and name    HA )    ( resid  24 and name    HN )     3.700 1.700 1.700 !  2014 
assign ( resid  23 and name    HA )    ( resid  13 and name    HA )     4.200 2.200 1.800 !  2015 
assign ( resid  15 and name  HG1# )    ( resid  79 and name   HD# )     2.900 1.100 1.100 !  2021 
assign ( resid  99 and name    HG )    ( resid  96 and name    HN )     3.900 1.900 1.900 !  2023 
assign ( resid  15 and name    HB )    ( resid  79 and name   HD# )     4.500 2.500 1.500 !  2024 
assign ( resid  15 and name  HG1# )    ( resid  79 and name   HE# )     3.200 1.300 1.300 !  2025 
assign ( resid  15 and name    HB )    ( resid  79 and name   HE# )     3.500 1.500 1.500 !  2026 
assign ( resid  15 and name  HG1# )    ( resid  77 and name    HZ )     3.900 1.900 1.900 !  2027 
assign ( resid  56 and name    HA )    ( resid  57 and name   HD1 )     3.300 1.400 1.400 !  2037 
assign ( resid  56 and name    HA )    ( resid  57 and name   HD2 )     3.200 1.300 1.300 !  2038 
assign ( resid  56 and name   HB2 )    ( resid  57 and name   HD2 )     4.600 2.600 1.400 !  2039 
assign ( resid  43 and name  HD1# )    ( resid  77 and name   HE# )     3.300 1.400 1.400 !  2048 
assign ( resid  43 and name  HD1# )    ( resid  77 and name    HZ )     4.600 2.600 1.400 !  2049 
assign ( resid  24 and name  HD2# )    ( resid  79 and name   HE# )     5.300 3.500 0.700 !  2051 
assign ( resid  57 and name   HG1 )    ( resid  79 and name   HD# )     4.200 2.200 1.800 !  2055 
assign ( resid  15 and name    HB )    ( resid  79 and name    HZ )     5.000 3.100 1.000 !  2057 
assign ( resid  92 and name    HA )    ( resid  95 and name    HN )     3.400 1.400 1.400 !  2060 
assign ( resid  63 and name  HG12 )    ( resid  79 and name   HB2 )     2.300 0.600 0.600 !  2064 
assign ( resid  68 and name  HG2# )    ( resid  72 and name   HA2 )     4.700 2.700 1.300 !  2069 
assign ( resid  63 and name  HG12 )    ( resid  79 and name   HB1 )     3.500 1.600 1.600 !  2070 
assign ( resid  47 and name   HD# )    ( resid  49 and name    HN )     5.000 3.100 1.000 !  2075 
assign ( resid  33 and name   HE1 )    ( resid  22 and name    HN )     3.900 1.900 1.900 !  2076 
assign ( resid  79 and name    HN )    ( resid  80 and name    HN )     3.500 1.500 1.500 !  2077 
assign ( resid  77 and name   HB2 )    ( resid  15 and name  HG1# )     3.000 1.200 1.200 !  2079 
assign ( resid  77 and name   HB2 )    ( resid  15 and name  HG2# )     4.700 1.700 1.700 !  2080 
assign ( resid  77 and name   HB1 )    ( resid  15 and name  HG1# )     4.000 2.000 2.000 !  2081 
assign ( resid  77 and name   HB1 )    ( resid  15 and name  HG2# )     5.600 3.900 0.400 !  2082 
assign ( resid  79 and name   HB1 )    ( resid  15 and name  HG2# )     4.600 2.700 1.400 !  2083 
assign ( resid  79 and name   HB1 )    ( resid  15 and name  HG1# )     4.700 2.800 1.300 !  2084 
assign ( resid  21 and name    HA )    ( resid  33 and name   HE1 )     4.500 2.500 1.500 !  2086 
assign ( resid  21 and name    HA )    ( resid  16 and name    HN )     4.400 2.400 1.600 !  2087 
assign ( resid  90 and name    HA )    ( resid  92 and name    HN )     4.400 1.200 1.200 !  2089
assign ( resid  50 and name    HA )    ( resid  49 and name    HN )     3.900 1.900 1.900 !  2090 
assign ( resid  97 and name    HA )    ( resid  99 and name    HN )     4.000 2.000 2.000 !  2091
assign ( resid  88 and name    HA )    ( resid  92 and name    HN )     4.500 2.500 1.500 !  2092 
assign ( resid  87 and name    HA )    ( resid  90 and name    HN )     3.000 1.100 1.100 !  2093
assign ( resid  48 and name    HA )    ( resid 103 and name   HD# )     4.400 2.400 1.600 !  2095 
assign ( resid  99 and name    HA )    ( resid  47 and name   HE# )     3.900 1.900 1.900 !  2096 
assign ( resid  99 and name    HA )    ( resid 103 and name   HE# )     4.200 2.200 1.800 !  2097 
assign ( resid  49 and name   HB2 )    ( resid  69 and name  HD2# )     4.100 2.100 1.900 !  2098 
assign ( resid  49 and name   HB2 )    ( resid  69 and name  HD1# )     4.000 2.000 2.000 !  2099 
assign ( resid  49 and name   HB1 )    ( resid  69 and name  HD1# )     3.600 1.600 1.600 !  2100 
assign ( resid  45 and name   HB2 )    ( resid  69 and name  HD1# )     4.600 2.600 1.400 !  2101 
assign ( resid  87 and name    HA )    ( resid  88 and name    HN )     3.200 1.300 1.300 !  2102 
assign ( resid  92 and name    HA )    ( resid  96 and name    HN )     4.200 2.200 1.800 !  2103 
assign ( resid  81 and name   HB1 )    ( resid  82 and name    HN )     4.100 2.100 1.900 !  2107 
assign ( resid  17 and name    HA )    ( resid  77 and name   HD# )     4.100 2.100 1.900 !  2116 
assign ( resid  99 and name  HD2# )    ( resid  47 and name   HE# )     3.600 1.600 1.600 !  2127 
assign ( resid  99 and name  HD1# )    ( resid  47 and name   HE# )     3.200 1.300 1.300 !  2128 
assign ( resid  99 and name   HB2 )    ( resid  47 and name   HE# )     2.900 1.000 1.000 !  2129 
assign ( resid 104 and name   HD2 )    ( resid 103 and name    HN )     4.000 2.000 2.000 !  2130 
assign ( resid 102 and name   HB1 )    ( resid 103 and name   HD# )     3.600 1.600 1.600 !  2131 
assign ( resid 102 and name   HB2 )    ( resid 103 and name   HD# )     3.300 1.400 1.400 !  2132 
assign ( resid 102 and name   HB1 )    ( resid 103 and name   HE# )     4.300 2.300 1.700 !  2135 
assign ( resid 102 and name   HB2 )    ( resid 103 and name   HE# )     3.700 1.700 1.700 !  2136 
assign ( resid  99 and name   HB1 )    ( resid  47 and name   HE# )     4.100 2.100 1.900 !  2137 
assign ( resid  43 and name  HD1# )    ( resid  33 and name   HE1 )     3.500 1.500 3.000 !  2139 
assign ( resid  40 and name   HB2 )    ( resid  41 and name    HZ )     3.700 1.700 1.700 !  2140 
assign ( resid  40 and name   HB2 )    ( resid  41 and name   HE# )     3.500 1.500 1.500 !  2141 
assign ( resid  98 and name   HG1 )    ( resid  99 and name    HN )     4.400 2.400 1.600 !  2143 
assign ( resid  49 and name   HB1 )    ( resid  69 and name  HD2# )     4.200 2.200 1.800 !  2144 
assign ( resid  65 and name    HA )    ( resid  64 and name   HB1 )     4.300 2.300 1.700 !  2147 
assign ( resid  47 and name   HB2 )    ( resid  99 and name   HB1 )     3.700 1.700 1.700 !  2174 
assign ( resid  33 and name   HB1 )    ( resid  42 and name  HG2# )     2.700 0.900 0.900 !  2181 
assign ( resid  41 and name   HB2 )    ( resid  34 and name   HB# )     4.600 2.600 1.400 !  2187 
assign ( resid  80 and name   HB2 )    ( resid  63 and name  HG2# )     3.400 1.400 1.400 !  2190 
assign ( resid  79 and name   HB1 )    ( resid  63 and name  HG2# )     3.700 1.700 1.700 !  2191 
assign ( resid  79 and name   HB2 )    ( resid  63 and name  HG2# )     3.000 1.100 1.100 !  2192 
assign ( resid  86 and name    HA )    ( resid  63 and name  HG2# )     2.600 0.900 0.900 !  2193 
assign ( resid  89 and name    HA )    ( resid  63 and name  HD1# )     3.600 1.600 1.600 !  2194 
assign ( resid  96 and name    HA )    ( resid  99 and name   HB1 )     3.600 1.700 1.700 !  2213 
assign ( resid  96 and name    HA )    ( resid  99 and name   HB2 )     4.500 2.500 1.500 !  2214 
assign ( resid  96 and name    HA )    ( resid  99 and name  HD1# )     2.100 0.600 0.600 !  2215 
assign ( resid  96 and name    HA )    ( resid  99 and name  HD2# )     2.800 1.000 1.000 !  2216 
assign ( resid  95 and name    HA )    ( resid  99 and name  HD2# )     3.500 1.500 1.500 !  2221 
assign ( resid  95 and name    HA )    ( resid  99 and name  HD1# )     4.200 2.200 1.800 !  2222 
assign ( resid  47 and name   HB2 )    ( resid 103 and name   HB2 )     3.700 1.700 1.700 !  2226 
assign ( resid  33 and name   HB1 )    ( resid  43 and name  HD1# )     3.400 1.500 1.500 !  2227 
assign ( resid  33 and name   HB2 )    ( resid  43 and name  HD1# )     2.700 0.900 0.900 !  2228 
assign ( resid  33 and name   HB1 )    ( resid  24 and name  HD2# )     4.000 2.000 2.000 !  2229 
assign ( resid  33 and name   HB2 )    ( resid  24 and name  HD2# )     3.900 1.900 1.900 !  2230 
assign ( resid  31 and name    HB )    ( resid  24 and name  HD2# )     4.800 2.900 1.200 !  2232 
assign ( resid  77 and name   HB1 )    ( resid  17 and name   HB2 )     3.800 1.800 1.800 !  2250 
assign ( resid  77 and name   HB2 )    ( resid  24 and name  HD1# )     3.400 1.500 1.500 !  2252 
assign ( resid  15 and name    HB )    ( resid  24 and name  HD2# )     5.000 3.100 1.000 !  2254 
assign ( resid  10 and name   HB1 )    ( resid  11 and name  HG2# )     3.700 1.700 1.700 !  2264 
assign ( resid  63 and name  HG12 )    ( resid  15 and name  HG1# )     6.000 4.900 0.000 !  2265 
assign ( resid  62 and name   HB1 )    ( resid  86 and name    HN )     4.000 2.000 2.250 !  2268
assign ( resid 101 and name   HD2 )    ( resid  99 and name  HD1# )     3.300 1.400 1.400 !  2270 
assign ( resid  69 and name  HD1# )    ( resid  75 and name    HN )     3.900 1.900 1.900 !  2273 
assign ( resid  69 and name  HD1# )    ( resid  68 and name    HN )     4.100 2.200 1.900 !  2274 
assign ( resid  75 and name  HG2# )    ( resid  77 and name   HE# )     3.400 1.500 1.500 !  2275 
assign ( resid  75 and name  HG2# )    ( resid  77 and name   HD# )     2.600 0.900 0.900 !  2276 
assign ( resid  75 and name    HB )    ( resid  69 and name  HD1# )     4.000 2.000 2.000 !  2279 
assign ( resid  75 and name    HA )    ( resid  69 and name  HD1# )     3.700 1.800 1.800 !  2280 
assign ( resid  87 and name    HA )    ( resid  90 and name   HB1 )     3.000 1.100 1.100 !  2289 
assign ( resid  91 and name    HA )    ( resid  94 and name   HB2 )     2.900 1.100 1.100 !  2290 
assign ( resid 100 and name    HA )    ( resid  47 and name   HB2 )     4.800 2.900 1.200 !  2292 
assign ( resid  74 and name    HB )    ( resid  66 and name   HG2 )     3.100 1.200 1.200 !  2295 
assign ( resid   5 and name   HB1 )    ( resid   6 and name   HB2 )     3.700 1.700 1.700 !  2305 
assign ( resid  92 and name    HA )    ( resid  95 and name   HB2 )     3.400 1.500 1.500 !  2308 
assign ( resid  79 and name   HB2 )    ( resid  16 and name   HB1 )     4.200 2.200 1.800 !  2312 
assign ( resid  92 and name    HA )    ( resid  91 and name   HB# )     3.500 1.600 1.600 !  2314 
assign ( resid 103 and name   HB1 )    ( resid  48 and name   HB# )     2.000 0.500 0.500 !  2315 
assign ( resid  92 and name    HA )    ( resid  95 and name    HG )     3.400 1.400 1.400 !  2316 
assign ( resid  50 and name    HA )    ( resid  51 and name   HB1 )     4.200 2.300 1.800 !  2320 
assign ( resid  99 and name    HA )    ( resid 102 and name   HB1 )     3.400 1.400 1.400 !  2323 
assign ( resid  88 and name    HA )    ( resid  91 and name   HB# )     2.800 1.000 1.000 !  2325 
assign ( resid  85 and name    HA )    ( resid  88 and name   HB1 )     4.600 1.700 1.700 !  2334
assign ( resid  94 and name    HA )    ( resid  97 and name   HB2 )     4.000 2.000 2.000 !  2337 
assign ( resid  94 and name    HA )    ( resid  97 and name   HB1 )     4.000 2.000 2.000 !  2338 
assign ( resid   6 and name    HA )    ( resid   7 and name   HG1 )     3.200 1.300 1.300 !  2340 
assign ( resid   6 and name    HA )    ( resid   7 and name   HB2 )     3.500 1.600 1.600 !  2341 
assign ( resid  47 and name    HA )    ( resid  50 and name    HB )     3.700 1.700 1.700 !  2342 
assign ( resid  79 and name    HA )    ( resid  16 and name   HB2 )     4.800 2.900 1.200 !  2344 
assign ( resid  29 and name    HA )    ( resid  28 and name   HB# )     3.100 1.200 1.200 !  2349 
assign ( resid  63 and name    HA )    ( resid  60 and name   HB2 )     3.000 1.100 1.100 !  2352 
assign ( resid  15 and name    HA )    ( resid  21 and name   HB1 )     4.100 2.100 1.900 !  2355 
assign ( resid  93 and name    HA )    ( resid  96 and name   HB2 )     3.900 1.900 1.900 !  2369 
assign ( resid  56 and name    HA )    ( resid  57 and name   HB1 )     4.500 2.500 1.500 !  2370 
assign ( resid  10 and name    HA )    ( resid  11 and name  HG2# )     3.900 1.900 1.900 !  2382 
assign ( resid  12 and name    HA )    ( resid  11 and name  HG2# )     3.500 0.700 0.700 !  2383 
assign ( resid  25 and name   HB1 )    ( resid  32 and name   HB# )     3.700 1.700 1.700 !  2391 
assign ( resid  25 and name   HB2 )    ( resid  32 and name   HB# )     2.900 1.000 1.000 !  2392 
assign ( resid 103 and name   HB1 )    ( resid  47 and name   HB1 )     5.500 3.800 0.500 !  2400 
assign ( resid  49 and name   HB1 )    ( resid  46 and name   HB1 )     4.700 2.800 1.300 !  2404 
assign ( resid  45 and name   HB2 )    ( resid  46 and name   HB1 )     4.200 2.200 1.800 !  2405 
assign ( resid  76 and name   HB1 )    ( resid  66 and name   HG1 )     2.800 0.900 0.900 !  2417 
assign ( resid  27 and name   HG2 )    ( resid  29 and name   HB1 )     2.600 0.900 0.900 !  2422 
assign ( resid 103 and name   HB2 )    ( resid  48 and name   HB# )     3.600 1.600 1.600 !  2424 
assign ( resid  90 and name   HB1 )    ( resid  91 and name   HB# )     4.200 2.200 1.800 !  2438 
assign ( resid  69 and name    HA )    ( resid  50 and name  HG2# )     3.700 1.700 1.700 !  2441 
assign ( resid  44 and name    HA )    ( resid  43 and name  HD1# )     3.400 1.400 1.400 !  2442 
assign ( resid  32 and name    HA )    ( resid  43 and name  HD1# )     3.400 1.400 1.400 !  2444 
assign ( resid  67 and name    HA )    ( resid  68 and name  HG1# )     4.500 2.600 1.500 !  2446 
assign ( resid  11 and name    HA )    ( resid  12 and name  HG2# )     4.400 2.400 1.600 !  2451 
assign ( resid  55 and name    HA )    ( resid  65 and name  HD1# )     4.400 2.500 1.600 !  2456 
assign ( resid  25 and name    HA )    ( resid   8 and name  HG2# )     4.100 1.600 1.600 !  2467
assign ( resid  65 and name    HA )    ( resid  55 and name  HG2# )     3.200 1.300 1.300 !  2468 
assign ( resid  24 and name    HA )    ( resid  15 and name  HG2# )     4.600 2.600 1.400 !  2472 
assign ( resid  24 and name    HA )    ( resid  15 and name  HG1# )     5.000 3.100 1.000 !  2474 
assign ( resid  77 and name    HA )    ( resid  15 and name  HG1# )     3.900 1.900 1.900 !  2476 
assign ( resid  44 and name    HA )    ( resid  32 and name   HB# )     3.200 1.300 1.300 !  2480 
assign ( resid  13 and name    HA )    ( resid  12 and name  HG2# )     3.700 1.700 1.700 !  2492 
assign ( resid  76 and name    HA )    ( resid  75 and name  HG2# )     3.600 1.600 1.600 !  2506 
assign ( resid  23 and name    HA )    ( resid  15 and name  HG2# )     4.200 2.200 1.800 !  2507 
assign ( resid  23 and name    HA )    ( resid  15 and name  HG1# )     4.400 2.500 1.600 !  2508 
assign ( resid  79 and name    HA )    ( resid  15 and name  HG2# )     2.900 1.000 1.000 !  2512 
assign ( resid  79 and name    HA )    ( resid  15 and name  HG1# )     3.200 1.200 1.200 !  2513 
assign ( resid  13 and name    HA )    ( resid  15 and name  HG2# )     4.500 2.600 1.500 !  2514 
assign ( resid   7 and name    HA )    ( resid   8 and name  HG1# )     4.000 1.900 1.500 !  2515
assign ( resid  74 and name    HB )    ( resid  68 and name  HG2# )     4.100 2.100 1.900 !  2519 
assign ( resid  47 and name    HA )    ( resid  67 and name  HD1# )     2.600 0.800 0.800 !  2521 
assign ( resid  24 and name    HA )    ( resid  42 and name  HG2# )     4.300 2.300 1.700 !  2526 
assign ( resid  32 and name    HA )    ( resid  42 and name  HG2# )     4.400 2.400 1.600 !  2527 
assign ( resid  25 and name    HA )    ( resid  11 and name  HG12 )     3.900 1.900 1.900 !  2528 
assign ( resid  34 and name    HA )    ( resid  42 and name  HG2# )     3.200 1.300 1.300 !  2529 
assign ( resid  70 and name    HA )    ( resid  51 and name   HB1 )     3.400 1.500 1.500 !  2531 
assign ( resid  16 and name    HA )    ( resid  15 and name  HG1# )     4.900 2.900 1.100 !  2532 
assign ( resid  31 and name    HA )    ( resid  32 and name   HB# )     4.800 2.900 1.200 !  2534 
assign ( resid  31 and name    HA )    ( resid  24 and name  HD2# )     4.500 2.600 1.500 !  2536 
assign ( resid  74 and name    HA )    ( resid  69 and name  HD1# )     3.700 1.700 1.700 !  2537 
assign ( resid  33 and name    HA )    ( resid  24 and name  HD2# )     3.900 1.900 1.900 !  2539 
assign ( resid  33 and name    HA )    ( resid  34 and name   HB# )     3.600 1.600 1.600 !  2541 
assign ( resid  70 and name    HA )    ( resid  51 and name   HB2 )     3.000 1.100 1.100 !  2542 
assign ( resid  27 and name    HA )    ( resid   9 and name   HB1 )     3.600 1.600 1.600 !  2543 
assign ( resid  74 and name    HA )    ( resid  69 and name    HG )     4.400 2.400 1.600 !  2544 
assign ( resid  49 and name    HA )    ( resid  48 and name   HB# )     4.100 2.100 1.900 !  2547 
assign ( resid  41 and name    HA )    ( resid  42 and name  HG2# )     4.000 2.000 2.000 !  2552 
assign ( resid  84 and name    HB )    ( resid  14 and name   HB2 )     4.100 2.100 1.900 !  2556 
assign ( resid  93 and name   HB2 )    ( resid  96 and name  HD1# )     2.600 0.800 0.800 !  2561 
assign ( resid  27 and name   HB2 )    ( resid   8 and name  HG## )     3.500 0.500 0.500 !  2566
assign ( resid  73 and name   HB1 )    ( resid  69 and name    HG )     3.700 1.700 1.700 !  2571 
assign ( resid  80 and name   HB2 )    ( resid  81 and name    HN )     3.800 1.800 1.800 !  2586 
assign ( resid  80 and name   HB1 )    ( resid  81 and name    HN )     2.900 1.100 1.100 !  2587 
assign ( resid  48 and name    HA )    ( resid 103 and name   HB1 )     4.300 2.300 1.700 !  2589 
assign ( resid  48 and name    HA )    ( resid 103 and name   HB2 )     3.000 1.100 1.100 !  2602 
assign ( resid  69 and name    HA )    ( resid  50 and name    HA )     2.300 0.700 0.700 !  2604 
assign ( resid  68 and name    HA )    ( resid  74 and name  HG2# )     3.000 1.100 1.100 !  2607 
assign ( resid  23 and name    HA )    ( resid  12 and name    HB )     4.300 1.800 1.800 !  2612 
assign ( resid  23 and name    HA )    ( resid  15 and name    HB )     3.700 1.700 1.700 !  2613 
assign ( resid  47 and name    HN )    ( resid  48 and name    HN )     3.000 1.100 1.100 !  2620
assign ( resid  97 and name  HE22 )    ( resid  96 and name    HN )     3.600 1.600 1.600 !  2621 
assign ( resid  92 and name    HA )    ( resid  95 and name  HD2# )     2.900 1.000 1.000 !  2629 
assign ( resid  97 and name  HE22 )    ( resid  96 and name   HB1 )     3.600 1.600 1.600 !  2635 
assign ( resid  97 and name  HE22 )    ( resid  96 and name   HB2 )     3.900 1.900 1.900 !  2636 
assign ( resid  97 and name  HE22 )    ( resid  96 and name  HD1# )     4.500 2.500 1.500 !  2638 
assign ( resid  57 and name   HB2 )    ( resid  64 and name    HN )     4.300 2.300 1.700 !  2641 
assign ( resid  57 and name   HG2 )    ( resid  64 and name    HN )     2.400 0.700 1.000 !  2642
assign ( resid  57 and name   HG1 )    ( resid  64 and name    HN )     3.300 1.300 1.300 !  2643 
assign ( resid  57 and name   HD2 )    ( resid  64 and name    HN )     4.700 2.700 1.300 !  2644 
assign ( resid  57 and name   HD1 )    ( resid  64 and name    HN )     5.500 3.800 0.500 !  2645 
assign ( resid  63 and name    HB )    ( resid  79 and name    HN )     4.600 2.600 1.400 !  2648 
assign ( resid  68 and name  HG1# )    ( resid  67 and name    HN )     3.900 1.400 1.400 !  2650
assign ( resid  69 and name  HD1# )    ( resid  67 and name    HN )     5.000 2.000 2.000 !  2651
assign ( resid  69 and name  HD2# )    ( resid  67 and name    HN )     4.600 2.600 1.400 !  2652 
assign ( resid  74 and name    HA )    ( resid  69 and name  HD2# )     4.600 2.700 1.400 !  2655 
assign ( resid  27 and name    HA )    ( resid   8 and name  HG1# )     4.200 2.200 1.800 !  2656
assign ( resid  80 and name    HA )    ( resid  81 and name    HA )     5.000 3.100 1.000 !  2661 
assign ( resid  95 and name  HD1# )    ( resid  98 and name    HN )     5.300 3.500 0.700 !  2670 
assign ( resid  99 and name  HD1# )    ( resid  98 and name    HN )     5.100 3.200 0.900 !  2671 
assign ( resid  95 and name  HD1# )    ( resid  98 and name  HE21 )     3.700 1.700 1.700 !  2672 
assign ( resid  99 and name   HB1 )    ( resid  98 and name    HN )     5.200 3.300 0.800 !  2673 
assign ( resid  99 and name    HG )    ( resid  98 and name    HN )     4.100 2.100 1.900 !  2674 
assign ( resid  99 and name  HD2# )    ( resid  98 and name    HN )     2.700 0.900 2.900 !  2675 
assign ( resid  96 and name    HA )    ( resid  98 and name    HN )     3.700 1.700 1.700 !  2677
assign ( resid  20 and name    HA )    ( resid  33 and name   HH2 )     4.500 2.500 1.500 !  2678 
assign ( resid  79 and name   HB2 )    ( resid  78 and name   HE1 )     3.500 1.500 1.500 !  2686 
assign ( resid  62 and name   HB2 )    ( resid  78 and name   HE1 )     4.000 2.000 2.000 !  2690 
assign ( resid  62 and name    HA )    ( resid  78 and name   HE1 )     4.400 2.400 1.600 !  2691 
assign ( resid  69 and name  HD1# )    ( resid  50 and name    HN )     4.400 2.400 1.600 !  2692 
assign ( resid   8 and name    HB )    ( resid  28 and name    HN )     3.900 1.900 1.900 !  2695 
assign ( resid   6 and name    HA )    ( resid   7 and name   HG2 )     2.900 1.000 1.000 !  2697 
assign ( resid   6 and name   HG1 )    ( resid   7 and name    HN )     3.200 1.300 1.300 !  2700 
assign ( resid  86 and name    HA )    ( resid  87 and name    HN )     3.600 1.600 1.600 !  2703 
assign ( resid  85 and name    HA )    ( resid  86 and name    HN )     3.400 1.500 1.500 !  2705 
assign ( resid  91 and name    HA )    ( resid  90 and name    HN )     4.700 2.700 1.300 !  2706 
assign ( resid  22 and name   HA2 )    ( resid  33 and name   HH2 )     3.600 1.600 1.600 !  2710 
assign ( resid   2 and name    HA )    ( resid   3 and name    HN )     2.900 1.100 1.100 !  2712 
assign ( resid  15 and name  HG1# )    ( resid  77 and name   HD# )     3.300 1.400 1.400 !  2716 
assign ( resid  28 and name    HA )    ( resid  47 and name   HD# )     3.600 1.600 1.600 !  2720 
assign ( resid 100 and name    HA )    ( resid  47 and name   HD# )     4.400 2.400 1.600 !  2721 
assign ( resid  42 and name    HB )    ( resid  33 and name   HE1 )     5.500 3.100 1.000 !  2723
assign ( resid  34 and name   HB# )    ( resid  33 and name   HE1 )     4.500 2.500 1.500 !  2724 
assign ( resid  42 and name  HG2# )    ( resid  33 and name   HE1 )     3.100 1.200 1.700 !  2728
assign ( resid  57 and name    HA )    ( resid  64 and name    HN )     2.600 0.800 0.800 !  2729 
assign ( resid  21 and name    HA )    ( resid  33 and name   HZ2 )     3.200 1.200 1.200 !  2734 
assign ( resid  16 and name    HA )    ( resid  33 and name   HZ2 )     3.500 1.600 1.600 !  2735 
assign ( resid  77 and name    HZ )    ( resid  33 and name   HZ2 )     3.300 1.000 1.000 !  2736 
assign ( resid  22 and name   HA2 )    ( resid  33 and name   HZ2 )     3.200 1.300 1.300 !  2737 
assign ( resid  22 and name   HA1 )    ( resid  33 and name   HZ2 )     4.100 2.100 1.900 !  2738 
assign ( resid 104 and name   HD2 )    ( resid 103 and name   HD# )     3.100 1.200 1.200 !  2743 
assign ( resid  31 and name    HB )    ( resid  27 and name    HN )     4.700 2.700 1.300 !  2744 
assign ( resid  15 and name  HG2# )    ( resid  12 and name    HN )     5.000 3.100 1.000 !  2747 
assign ( resid 103 and name   HB2 )    ( resid  48 and name    HN )     3.000 1.100 1.100 !  2748 
assign ( resid  15 and name  HG1# )    ( resid  77 and name   HE# )     4.400 2.400 1.600 !  2752 
assign ( resid  99 and name   HB2 )    ( resid  47 and name   HD# )     2.700 0.900 0.900 !  2753 
assign ( resid  99 and name  HD2# )    ( resid  47 and name   HD# )     3.300 1.300 1.300 !  2754 
assign ( resid  77 and name    HZ )    ( resid  34 and name    HN )     4.700 2.800 1.300 !  2755 
assign ( resid  69 and name   HB1 )    ( resid  73 and name    HN )     3.400 1.400 1.400 !  2756 
assign ( resid  32 and name    HN )    ( resid  27 and name    HN )     4.000 2.000 2.000 !  2757 
assign ( resid  27 and name    HA )    ( resid   8 and name  HG2# )     3.500 1.500 1.500 !  2762
assign ( resid  27 and name    HA )    ( resid  26 and name  HD1# )     3.700 1.800 1.800 !  2763 
assign ( resid  27 and name    HA )    ( resid  28 and name   HB# )     4.400 2.400 1.600 !  2767 
assign ( resid  14 and name    HA )    ( resid  15 and name  HG2# )     4.700 2.800 1.300 !  2770 
assign ( resid  98 and name   HB1 )    ( resid  97 and name  HE21 )     3.700 1.700 1.700 !  2771 
assign ( resid  92 and name  HG1# )    ( resid  79 and name    HZ )     3.700 1.700 1.700 !  2773 
assign ( resid  47 and name   HB1 )    ( resid 103 and name   HE# )     3.700 1.700 1.700 !  2776 
assign ( resid  99 and name   HB1 )    ( resid 103 and name   HE# )     4.000 2.000 2.000 !  2777 
assign ( resid 100 and name    HA )    ( resid  47 and name   HE# )     2.300 0.600 2.600 !  2781 
assign ( resid 100 and name    HA )    ( resid 103 and name    HN )     3.700 1.800 1.800 !  2782 
assign ( resid  99 and name    HA )    ( resid 103 and name    HN )     5.200 3.400 0.800 !  2783 
assign ( resid 100 and name    HA )    ( resid 102 and name    HN )     3.800 1.800 1.800 !  2784 
assign ( resid  99 and name    HA )    ( resid  47 and name   HD# )     4.600 2.700 1.400 !  2785 
assign ( resid  96 and name    HA )    ( resid  47 and name   HD# )     5.300 3.500 0.700 !  2786 
assign ( resid  23 and name    HA )    ( resid  25 and name   HE# )     5.200 3.300 0.800 !  2787 
assign ( resid  33 and name    HA )    ( resid  25 and name   HE# )     4.800 2.900 1.200 !  2789 
assign ( resid  34 and name   HB# )    ( resid  41 and name   HD# )     2.800 1.000 1.000 !  2791 
assign ( resid  29 and name   HG1 )    ( resid  46 and name    HN )     4.900 3.000 1.100 !  2796 
assign ( resid  77 and name   HB1 )    ( resid  65 and name    HN )     4.000 2.000 2.000 !  2798 
assign ( resid  77 and name   HD# )    ( resid  65 and name    HN )     4.600 2.600 1.400 !  2800 
assign ( resid  77 and name   HE# )    ( resid  33 and name    HN )     4.500 2.600 1.500 !  2804 
assign ( resid  10 and name  HD1# )    ( resid  11 and name    HN )     4.100 2.100 1.900 !  2836 
assign ( resid   9 and name    HG )    ( resid  10 and name    HN )     2.700 0.900 0.900 !  2841 
assign ( resid   9 and name    HG )    ( resid  10 and name   HB1 )     3.300 0.700 0.700 !  2843
assign ( resid  14 and name   HD2 )    ( resid  15 and name    HN )     2.800 0.900 0.900 !  2851 
assign ( resid  17 and name   HG2 )    ( resid  33 and name   HZ2 )     3.300 1.400 1.400 !  2862 
assign ( resid  20 and name   HB1 )    ( resid  33 and name   HH2 )     3.400 1.400 1.400 !  2875 
assign ( resid  20 and name   HG1 )    ( resid  21 and name    HN )     3.300 1.400 1.400 !  2885 
assign ( resid  12 and name  HG2# )    ( resid  24 and name    HN )     3.900 1.900 1.900 !  2892 
assign ( resid  31 and name  HG11 )    ( resid  47 and name   HD# )     4.700 2.800 1.300 !  2916 
assign ( resid  31 and name  HG12 )    ( resid  47 and name   HD# )     3.900 1.900 1.900 !  2918 
assign ( resid  84 and name  HG2# )    ( resid  81 and name  HD21 )     3.100 1.200 1.200 !  2923 
assign ( resid  30 and name   HB1 )    ( resid  45 and name   HD2 )     5.300 3.500 0.700 !  2926 
assign ( resid  73 and name    HA )    ( resid  69 and name  HD2# )     4.800 2.900 1.200 !  2955 
assign ( resid  69 and name    HA )    ( resid  51 and name   HB1 )     4.100 2.100 1.900 !  2958 
assign ( resid  87 and name    HA )    ( resid  86 and name    HB )     3.500 1.500 1.500 !  2964 
assign ( resid 101 and name   HD2 )    ( resid  99 and name   HB1 )     3.700 1.700 1.700 !  2975 
assign ( resid  53 and name    HA )    ( resid  67 and name  HD1# )     3.000 1.100 1.100 !  2976 
assign ( resid  49 and name   HB2 )    ( resid  70 and name   HD2 )     3.800 1.800 1.800 !  3001 
assign ( resid  89 and name    HA )    ( resid  63 and name  HG12 )     4.500 2.500 1.500 !  3051 
assign ( resid 101 and name   HD2 )    ( resid  99 and name   HB2 )     4.500 2.500 1.500 !  3067 
assign ( resid  92 and name    HA )    ( resid  95 and name  HD1# )     3.900 1.900 1.900 !  3069 
assign ( resid  31 and name    HB )    ( resid  77 and name   HD# )     4.400 2.500 1.600 !  3111 
assign ( resid  19 and name   HB1 )    ( resid  17 and name  HE21 )     4.300 2.300 1.700 !  3112 
assign ( resid  34 and name   HB# )    ( resid  41 and name   HE# )     3.900 1.900 1.900 !  3114 
assign ( resid  65 and name  HD2# )    ( resid  77 and name   HE# )     3.700 1.700 1.700 !  3116 
assign ( resid  65 and name  HD1# )    ( resid  77 and name   HE# )     4.200 1.700 1.700 !  3117 
assign ( resid  34 and name   HB# )    ( resid  25 and name   HE# )     3.200 1.300 1.300 !  3118 
assign ( resid  40 and name   HB2 )    ( resid  41 and name   HD# )     4.200 2.200 1.800 !  3120 
assign ( resid  40 and name   HB1 )    ( resid  41 and name   HD# )     4.100 2.100 1.900 !  3121 
assign ( resid  65 and name    HA )    ( resid  79 and name   HE# )     4.500 2.500 1.500 !  3151 
assign ( resid  66 and name    HN )    ( resid  54 and name    HN )     3.100 1.200 1.200 !  3154 
assign ( resid  64 and name    HN )    ( resid  56 and name    HN )     4.700 2.700 1.300 !  3157 
assign ( resid  63 and name  HG2# )    ( resid  90 and name    HN )     3.200 1.300 1.300 !  3159 
assign ( resid  63 and name  HD1# )    ( resid  90 and name    HN )     3.700 1.700 1.700 !  3160 
assign ( resid   9 and name  HD1# )    ( resid  28 and name    HN )     4.400 2.400 1.600 !  3162 
assign ( resid   8 and name  HG2# )    ( resid  11 and name    HN )     3.600 1.600 1.600 !  3163
assign ( resid  34 and name   HB# )    ( resid  41 and name    HN )     3.700 1.700 1.700 !  3165 
assign ( resid  29 and name   HB1 )    ( resid  30 and name    HE )     2.500 0.800 0.800 !  3169 
assign ( resid  22 and name    HN )    ( resid  17 and name    HN )     4.900 3.000 1.100 !  3172 
assign ( resid  15 and name    HA )    ( resid  16 and name    HA )     6.000 6.000 0.000 !  3173 
assign ( resid  31 and name  HG2# )    ( resid  15 and name  HG2# )     3.700 1.700 3.200 !  3174 
assign ( resid  24 and name  HD1# )    ( resid  15 and name  HG2# )     2.200 0.600 0.600 !  3180 
assign ( resid  24 and name  HD1# )    ( resid  15 and name  HG1# )     2.200 0.600 0.600 !  3181 
assign ( resid  79 and name   HB1 )    ( resid  78 and name   HE1 )     3.400 1.400 1.900 !  3182
assign ( resid  63 and name    HB )    ( resid  57 and name   HB2 )     2.300 0.700 0.700 !  3184 
assign ( resid  79 and name   HB2 )    ( resid  15 and name  HG2# )     4.400 2.500 1.600 !  3187 
assign ( resid  41 and name   HB1 )    ( resid  34 and name   HB# )     5.100 3.200 0.900 !  3191 
assign ( resid  63 and name  HG12 )    ( resid  79 and name    HN )     4.200 2.300 1.800 !  3192 
assign ( resid  11 and name    HB )    ( resid  26 and name    HN )     4.700 2.800 1.300 !  3193 
assign ( resid  11 and name  HG12 )    ( resid  26 and name    HN )     5.100 3.200 0.900 !  3194 
assign ( resid  31 and name    HA )    ( resid  25 and name    HN )     4.800 2.800 1.200 !  3195 
assign ( resid  11 and name  HG2# )    ( resid  26 and name    HN )     4.500 2.500 1.500 !  3196 
assign ( resid  11 and name  HD1# )    ( resid  26 and name    HN )     6.000 4.400 0.000 !  3197 
assign ( resid  27 and name   HB2 )    ( resid  30 and name    HN )     4.700 2.800 1.300 !  3198 
assign ( resid  21 and name   HB1 )    ( resid  81 and name  HD22 )     4.300 2.400 1.700 !  3199
assign ( resid  48 and name   HB# )    ( resid  47 and name   HD# )     5.100 3.200 0.900 !  3200 
assign ( resid  40 and name   HB1 )    ( resid  41 and name   HE# )     3.900 1.900 1.900 !  3201 
assign ( resid  97 and name   HB2 )    ( resid  99 and name    HN )     3.900 1.900 1.900 !  3203 
assign ( resid  49 and name    HA )    ( resid  70 and name    HN )     4.100 2.100 1.900 !  3206 
assign ( resid  31 and name  HG2# )    ( resid  77 and name   HD# )     3.100 1.200 1.200 !  3207 
assign ( resid  31 and name  HG2# )    ( resid  77 and name   HE# )     3.000 1.200 1.200 !  3208 
assign ( resid  63 and name  HG2# )    ( resid  79 and name   HE# )     4.800 2.900 1.200 !  3209 
assign ( resid  63 and name  HD1# )    ( resid  79 and name   HE# )     3.900 1.900 1.900 !  3210 
assign ( resid  48 and name    HN )    ( resid  50 and name    HN )     4.500 2.500 1.500 !  3211 
assign ( resid  25 and name    HA )    ( resid  12 and name    HN )     3.100 1.200 1.200 !  3212 
assign ( resid 101 and name   HB2 )    ( resid 102 and name    HN )     2.800 1.000 1.000 !  3213 
assign ( resid  99 and name    HA )    ( resid  98 and name    HN )     4.700 2.800 1.300 !  3215 
assign ( resid 104 and name    HA )    ( resid 103 and name    HN )     4.700 2.800 1.300 !  3217 
assign ( resid  98 and name    HN )    ( resid 100 and name    HN )     4.100 2.100 1.900 !  3219 
assign ( resid  79 and name   HD# )    ( resid  64 and name    HN )     4.600 2.600 1.400 !  3220 
assign ( resid 104 and name   HD1 )    ( resid 103 and name    HN )     3.900 1.900 1.900 !  3234 
assign ( resid  98 and name   HB2 )    ( resid  97 and name  HE21 )     3.000 1.100 1.100 !  3238 
assign ( resid  24 and name  HD1# )    ( resid  77 and name   HD# )     3.100 1.200 1.200 !  3241 
assign ( resid  24 and name  HD1# )    ( resid  77 and name   HE# )     3.900 1.900 1.900 !  3242 
assign ( resid 101 and name   HB1 )    ( resid 100 and name    HN )     4.400 2.400 1.600 !  3244 
assign ( resid 104 and name   HD1 )    ( resid 103 and name   HD# )     3.300 1.300 1.300 !  3248 
assign ( resid  84 and name    HB )    ( resid  81 and name  HD21 )     3.800 1.800 1.800 !  3254 
assign ( resid  27 and name   HG2 )    ( resid  30 and name    HE )     2.800 1.000 1.000 !  3255 
assign ( resid  24 and name   HB2 )    ( resid  78 and name    HN )     5.900 4.400 0.100 !  3256 
assign ( resid  32 and name   HB# )    ( resid  41 and name   HE# )     3.800 1.800 1.800 !  3257 
assign ( resid  32 and name   HB# )    ( resid  41 and name   HB1 )     3.500 1.500 1.500 !  3258 
assign ( resid  15 and name  HG2# )    ( resid  79 and name    HZ )     4.300 2.300 1.700 !  3259 
assign ( resid  15 and name  HG1# )    ( resid  79 and name    HZ )     4.900 3.000 1.100 !  3260 
assign ( resid  95 and name  HD1# )    ( resid  98 and name  HE22 )     4.200 2.200 1.800 !  3262 
assign ( resid  95 and name  HD2# )    ( resid  98 and name  HE22 )     4.800 2.900 1.200 !  3263 
assign ( resid  84 and name    HN )    ( resid  86 and name    HN )     5.000 3.100 1.000 !  3264 
assign ( resid  77 and name   HB2 )    ( resid  65 and name    HN )     3.600 1.600 1.600 !  3269 
assign ( resid  95 and name    HA )    ( resid  98 and name   HB2 )     3.000 1.200 1.200 !  3270 
assign ( resid  95 and name    HA )    ( resid  98 and name   HG2 )     4.300 2.300 1.700 !  3271 
assign ( resid  91 and name    HA )    ( resid  94 and name   HB1 )     4.000 2.000 2.000 !  3272 
assign ( resid  99 and name    HA )    ( resid 102 and name   HB2 )     3.100 1.200 1.200 !  3273 
assign ( resid  95 and name    HA )    ( resid  98 and name   HB1 )     3.400 1.400 1.400 !  3274 
assign ( resid  90 and name    HA )    ( resid  93 and name   HB1 )     2.600 0.800 0.800 !  3275 
assign ( resid  87 and name    HA )    ( resid  90 and name   HB2 )     3.500 1.600 1.600 !  3276 
assign ( resid  18 and name   HB1 )    ( resid  20 and name    HN )     5.000 3.100 1.000 !  3283 
assign ( resid  63 and name    HA )    ( resid  79 and name   HD# )     5.500 3.700 0.500 !  3285 
assign ( resid 105 and name    HA )    ( resid 106 and name    HN )     2.700 0.900 0.900 !  3286 
assign ( resid  62 and name    HA )    ( resid  78 and name   HD2 )     4.500 2.500 1.500 !  3291 
assign ( resid  69 and name  HD2# )    ( resid  50 and name    HN )     4.200 2.200 1.800 !  3292 
assign ( resid  68 and name  HG2# )    ( resid  52 and name    HN )     4.600 2.700 1.400 !  3294 
assign ( resid  92 and name  HG1# )    ( resid  79 and name   HE# )     3.100 1.200 1.200 !  3300 
assign ( resid  65 and name  HD2# )    ( resid  77 and name   HD# )     3.500 1.500 1.500 !  3301 
assign ( resid  96 and name    HG )    ( resid  79 and name   HE# )     3.700 1.300 1.300 !  3303
assign ( resid  85 and name    HA )    ( resid  88 and name   HG1 )     4.400 2.400 1.600 !  3308 
assign ( resid  85 and name    HA )    ( resid  88 and name   HG2 )     4.600 2.600 1.400 !  3309 
assign ( resid  85 and name    HA )    ( resid  88 and name   HB2 )     4.900 3.000 1.100 !  3310 
assign ( resid  12 and name  HG1# )    ( resid  24 and name    HN )     4.700 2.800 1.300 !  3317 
assign ( resid  27 and name   HB1 )    ( resid  29 and name    HN )     3.500 1.500 1.500 !  3318 
assign ( resid  93 and name   HB1 )    ( resid  79 and name   HE# )     3.600 1.700 1.700 !  3320 
assign ( resid  64 and name   HB2 )    ( resid  63 and name    HA )     6.000 6.000 0.000 !  3321 
assign ( resid  50 and name    HB )    ( resid  69 and name  HD1# )     4.800 2.800 1.200 !  3323 
assign ( resid  65 and name    HA )    ( resid  64 and name   HB2 )     3.900 1.900 1.900 !  3324 
assign ( resid  46 and name   HB1 )    ( resid  48 and name    HN )     3.000 1.100 1.100 !  3331 
assign ( resid  62 and name   HB1 )    ( resid  78 and name   HE1 )     4.700 2.800 1.300 !  3343 
assign ( resid  62 and name   HB2 )    ( resid  86 and name    HN )     4.100 2.100 1.900 !  3344 
assign ( resid  55 and name    HA )    ( resid  65 and name  HD2# )     4.500 2.600 1.500 !  3346 
assign ( resid  25 and name    HA )    ( resid  11 and name  HG11 )     4.200 2.200 1.800 !  3347 
assign ( resid  65 and name    HA )    ( resid  96 and name  HD1# )     4.200 2.200 1.800 !  3351 
assign ( resid  57 and name   HG1 )    ( resid  65 and name  HD1# )     3.000 1.200 1.200 !  3362 
assign ( resid  47 and name    HA )    ( resid  67 and name  HD2# )     2.700 0.900 0.900 !  3384 
assign ( resid 101 and name   HB2 )    ( resid 100 and name    HN )     3.500 1.500 1.500 !  3388 
assign ( resid  99 and name   HB1 )    ( resid  47 and name   HD# )     3.000 1.100 1.100 !  3389 
assign ( resid  68 and name    HB )    ( resid  51 and name   HB1 )     4.200 2.300 1.800 !  3393
assign ( resid  73 and name    HA )    ( resid  69 and name  HD1# )     5.200 3.300 0.800 !  3397 
assign ( resid  99 and name  HD1# )    ( resid 103 and name   HE# )     3.200 1.300 1.300 !  3399 
assign ( resid  98 and name   HB2 )    ( resid  99 and name    HG )     5.000 3.100 1.000 !  3405 
assign ( resid  92 and name    HB )    ( resid  24 and name  HD1# )     4.700 2.700 1.300 !  3406 
assign ( resid  27 and name   HB1 )    ( resid  30 and name    HN )     2.800 1.000 1.000 !  3408 
assign ( resid  92 and name  HG2# )    ( resid  94 and name    HN )     4.600 2.700 1.400 !  3409 
assign ( resid  68 and name  HG2# )    ( resid  73 and name    HN )     3.500 1.500 1.500 !  3411 
assign ( resid  47 and name   HB1 )    ( resid 103 and name    HN )     4.500 2.600 1.500 !  3414 
assign ( resid  47 and name   HB1 )    ( resid 104 and name    HN )     4.500 2.500 1.500 !  3415 
assign ( resid  47 and name   HB2 )    ( resid 103 and name    HN )     5.500 3.700 0.500 !  3416 
assign ( resid  79 and name    HZ )    ( resid  92 and name    HN )     5.400 3.600 0.600 !  3420 
assign ( resid  79 and name   HE# )    ( resid  92 and name    HN )     5.800 4.300 0.200 !  3421 
assign ( resid  46 and name    HA )    ( resid  30 and name    HA )     3.400 1.500 1.500 !  3423 
assign ( resid  92 and name  HG2# )    ( resid  79 and name   HD# )     3.900 1.900 1.900 !  3424 
assign ( resid  46 and name    HA )    ( resid  48 and name    HN )     3.600 1.600 1.600 !  3426 
assign ( resid  53 and name  HE21 )    ( resid 103 and name   HD# )     3.800 1.800 1.800 !  3428 
assign ( resid  17 and name   HG1 )    ( resid  33 and name   HZ2 )     3.400 1.500 1.500 !  3429 
assign ( resid  40 and name   HB1 )    ( resid  25 and name   HE# )     4.100 2.100 1.900 !  3431 
assign ( resid  40 and name   HB2 )    ( resid  25 and name   HE# )     4.200 2.200 1.800 !  3432 
assign ( resid  40 and name   HG1 )    ( resid  41 and name    HN )     3.900 1.900 1.900 !  3434 
assign ( resid  77 and name    HZ )    ( resid  23 and name    HN )     4.900 3.100 1.100 !  3436 
assign ( resid  50 and name    HB )    ( resid  49 and name    HN )     4.400 2.400 1.600 !  3439 
assign ( resid   8 and name    HN )    ( resid   7 and name    HN )     3.500 1.500 1.500 !   212 
assign ( resid  27 and name   HB1 )    ( resid  28 and name    HN )     3.600 1.600 1.600 !   253 
assign ( resid  64 and name   HG1 )    ( resid  65 and name    HN )     3.700 1.700 1.700 !   277 
assign ( resid  63 and name  HG11 )    ( resid  64 and name    HN )     4.600 2.700 1.400 !   284 
assign ( resid   9 and name    HA )    ( resid  10 and name    HN )     3.200 1.300 1.300 !   299 
assign ( resid  29 and name    HN )    ( resid  30 and name    HN )     2.200 0.600 0.600 !   352 
assign ( resid  16 and name    HN )    ( resid  17 and name    HN )     4.200 2.200 1.800 !   354 
assign ( resid  72 and name   HA1 )    ( resid  73 and name    HN )     2.800 1.000 1.000 !   357 
assign ( resid  85 and name    HN )    ( resid  84 and name    HN )     2.000 0.500 0.500 !   361 
assign ( resid  69 and name    HA )    ( resid  52 and name    HN )     4.700 2.700 1.300 !   363 
assign ( resid  51 and name    HN )    ( resid  52 and name    HN )     4.200 0.700 0.700 !   366
assign ( resid  26 and name    HN )    ( resid  25 and name    HN )     4.200 1.300 1.300 !   369
assign ( resid  10 and name    HN )    ( resid   9 and name    HN )     3.700 0.900 0.900 !   370
assign ( resid  49 and name    HN )    ( resid  46 and name    HN )     3.900 1.900 1.900 !   380 
assign ( resid  63 and name    HN )    ( resid  64 and name    HN )     4.300 2.300 1.700 !   384 
assign ( resid  19 and name    HN )    ( resid  20 and name    HN )     3.300 1.400 1.400 !   393 
assign ( resid  73 and name   HB2 )    ( resid  74 and name    HN )     3.300 1.400 1.400 !   396 
assign ( resid  73 and name    HA )    ( resid  74 and name    HN )     2.300 0.600 0.600 !   398 
assign ( resid  43 and name    HN )    ( resid  42 and name    HN )     2.200 0.600 0.600 !   405 
assign ( resid  98 and name    HN )    ( resid  99 and name    HN )     2.500 0.500 0.500 !   413
assign ( resid  47 and name    HN )    ( resid  31 and name    HN )     4.300 2.300 1.700 !   414 
assign ( resid  15 and name    HN )    ( resid  14 and name    HN )     3.200 1.200 1.200 !   419 
assign ( resid  73 and name    HN )    ( resid  72 and name    HN )     2.300 0.700 0.700 !   435 
assign ( resid  73 and name    HN )    ( resid  74 and name    HN )     4.200 1.600 1.600 !   436
assign ( resid  16 and name    HN )    ( resid  78 and name    HN )     3.200 1.300 1.300 !   441 
assign ( resid 104 and name    HN )    ( resid 103 and name    HN )     2.100 0.600 0.600 !   444
assign ( resid  71 and name    HA )    ( resid  72 and name    HN )     3.100 1.200 1.200 !   445 
assign ( resid  69 and name   HB1 )    ( resid  70 and name    HN )     2.500 0.800 0.800 !   449 
assign ( resid  69 and name   HB1 )    ( resid  71 and name    HN )     3.200 1.300 1.300 !   452 
assign ( resid  69 and name   HB2 )    ( resid  71 and name    HN )     3.000 1.100 1.100 !   453 
assign ( resid  68 and name  HG1# )    ( resid  69 and name    HN )     4.000 2.000 2.000 !   456 
assign ( resid  70 and name    HN )    ( resid  71 and name    HN )     3.400 1.400 1.400 !   458 
assign ( resid  51 and name   HB1 )    ( resid  52 and name    HN )     3.200 1.300 1.300 !   478 
assign ( resid  51 and name   HB2 )    ( resid  52 and name    HN )     3.700 1.700 1.700 !   479 
assign ( resid  49 and name   HB2 )    ( resid  50 and name    HN )     3.800 1.800 1.800 !   491 
assign ( resid  50 and name    HA )    ( resid  52 and name    HN )     4.500 2.500 1.500 !   492 
assign ( resid  68 and name    HN )    ( resid  52 and name    HN )     3.100 1.200 1.200 !   495 
assign ( resid  51 and name    HN )    ( resid  70 and name    HN )     3.400 1.500 1.500 !   497 
assign ( resid  49 and name    HN )    ( resid  48 and name    HN )     2.400 0.700 0.700 !   503 
assign ( resid  47 and name   HB2 )    ( resid  48 and name    HN )     2.800 1.000 1.000 !   505 
assign ( resid  67 and name  HD2# )    ( resid  68 and name    HN )     4.000 2.000 2.000 !   509 
assign ( resid  68 and name    HA )    ( resid  69 and name    HN )     2.100 0.500 0.500 !   511 
assign ( resid  52 and name    HA )    ( resid  53 and name    HN )     2.500 0.800 0.800 !   512 
assign ( resid  52 and name   HB2 )    ( resid  53 and name    HN )     3.100 1.200 1.200 !   515 
assign ( resid  69 and name   HB2 )    ( resid  72 and name    HN )     3.700 0.900 0.900 !   520
assign ( resid  69 and name   HB2 )    ( resid  73 and name    HN )     3.500 1.500 1.500 !   522 
assign ( resid  69 and name    HG )    ( resid  73 and name    HN )     3.500 1.500 1.500 !   523 
assign ( resid  50 and name  HD1# )    ( resid  51 and name    HN )     3.700 1.700 1.700 !   524 
assign ( resid  46 and name   HB2 )    ( resid  49 and name    HN )     2.900 1.000 1.000 !   528 
assign ( resid  47 and name   HB1 )    ( resid  49 and name    HN )     3.900 1.900 1.900 !   529 
assign ( resid  46 and name   HG1 )    ( resid  49 and name    HN )     4.800 2.900 1.200 !   530 
assign ( resid  47 and name   HB1 )    ( resid  48 and name    HN )     2.900 1.100 1.100 !   536 
assign ( resid  46 and name   HB2 )    ( resid  47 and name    HN )     3.800 1.800 1.800 !   538 
assign ( resid  15 and name  HG2# )    ( resid  78 and name    HN )     3.300 1.400 1.400 !   547 
assign ( resid  26 and name   HB1 )    ( resid  27 and name    HN )     3.600 1.600 1.600 !   548 
assign ( resid  14 and name   HG1 )    ( resid  15 and name    HN )     4.300 2.300 1.700 !   549 
assign ( resid  15 and name    HN )    ( resid  23 and name    HN )     3.600 1.600 1.600 !   555 
assign ( resid  22 and name   HA2 )    ( resid  15 and name    HN )     3.600 1.600 1.600 !   556 
assign ( resid  96 and name    HG )    ( resid  97 and name  HE22 )     3.300 1.400 1.400 !   574 
assign ( resid  96 and name  HD2# )    ( resid  97 and name  HE22 )     3.800 1.800 1.800 !   575 
assign ( resid  95 and name    HN )    ( resid  96 and name    HN )     2.400 0.700 0.700 !   592
assign ( resid  95 and name   HB2 )    ( resid  96 and name    HN )     2.200 0.600 0.600 !   600 
assign ( resid  95 and name   HB1 )    ( resid  96 and name    HN )     3.500 1.600 1.600 !   601 
assign ( resid  95 and name    HN )    ( resid  94 and name    HN )     2.800 0.700 0.700 !   602
assign ( resid  93 and name   HB2 )    ( resid  94 and name    HN )     3.200 1.300 1.300 !   607 
assign ( resid  93 and name   HB1 )    ( resid  94 and name    HN )     3.100 1.200 1.200 !   608 
assign ( resid  95 and name  HD2# )    ( resid  96 and name    HN )     3.300 1.400 1.400 !   612 
assign ( resid  95 and name  HD1# )    ( resid  96 and name    HN )     3.700 1.700 1.700 !   613 
assign ( resid   8 and name    HB )    ( resid   9 and name    HN )     4.300 2.300 1.700 !   615 
assign ( resid  29 and name    HN )    ( resid  28 and name    HN )     2.900 1.000 1.000 !   626 
assign ( resid  93 and name    HN )    ( resid  92 and name    HN )     2.500 0.800 0.800 !   630 
assign ( resid  91 and name   HB# )    ( resid  92 and name    HN )     2.400 0.700 0.700 !   633 
assign ( resid  93 and name    HN )    ( resid  94 and name    HN )     2.500 0.800 0.800 !   636 
assign ( resid  92 and name    HB )    ( resid  93 and name    HN )     2.500 0.800 0.800 !   642 
assign ( resid  29 and name   HG2 )    ( resid  30 and name    HN )     3.500 1.500 1.500 !   645 
assign ( resid  29 and name   HB1 )    ( resid  30 and name    HN )     2.700 0.900 0.900 !   646 
assign ( resid  28 and name   HB# )    ( resid  30 and name    HN )     3.600 1.600 1.600 !   647 
assign ( resid  27 and name   HB2 )    ( resid  29 and name    HN )     3.800 1.800 1.800 !   650 
assign ( resid  27 and name   HG2 )    ( resid  28 and name    HN )     3.600 1.600 1.600 !   654 
assign ( resid  50 and name  HG11 )    ( resid  47 and name    HN )     3.800 1.800 1.800 !   668 
assign ( resid  13 and name   HD2 )    ( resid  14 and name    HN )     2.900 1.000 1.000 !   675 
assign ( resid  23 and name   HB# )    ( resid  25 and name    HN )     3.700 1.700 1.700 !   681 
assign ( resid  24 and name    HG )    ( resid  25 and name    HN )     3.900 1.900 1.900 !   682 
assign ( resid  99 and name    HN )    ( resid 100 and name    HN )     2.300 0.700 0.700 !   689
assign ( resid  98 and name    HA )    ( resid  99 and name    HN )     3.500 1.100 1.100 !   695
assign ( resid  98 and name   HG2 )    ( resid  99 and name    HN )     3.900 1.900 1.900 !   696 
assign ( resid  99 and name   HB2 )    ( resid 100 and name    HN )     3.000 1.100 1.100 !   699 
assign ( resid  99 and name   HB1 )    ( resid 100 and name    HN )     3.100 1.200 1.200 !   700 
assign ( resid  99 and name  HD1# )    ( resid 100 and name    HN )     2.600 0.800 0.800 !   701 
assign ( resid  99 and name  HD2# )    ( resid 100 and name    HN )     2.500 0.800 2.800 !   702 
assign ( resid  95 and name    HG )    ( resid  97 and name  HE22 )     4.100 2.100 1.900 !   707 
assign ( resid  92 and name  HG2# )    ( resid  93 and name    HN )     3.300 1.400 1.400 !   708 
assign ( resid  92 and name  HG1# )    ( resid  93 and name    HN )     3.400 1.400 1.400 !   709 
assign ( resid  10 and name  HD2# )    ( resid  11 and name    HN )     3.200 1.200 1.200 !   717 
assign ( resid  46 and name   HB2 )    ( resid  48 and name    HN )     3.300 1.400 1.400 !   722 
assign ( resid  15 and name    HB )    ( resid  16 and name    HN )     3.800 1.800 1.800 !   743 
assign ( resid   8 and name  HG1# )    ( resid   9 and name    HN )     4.000 1.500 1.500 !   758
assign ( resid   8 and name  HG2# )    ( resid   9 and name    HN )     3.000 0.900 0.900 !   759
assign ( resid  16 and name   HB1 )    ( resid  17 and name    HN )     4.200 2.200 1.800 !   777 
assign ( resid 102 and name    HA )    ( resid 103 and name    HN )     3.200 1.300 1.300 !   793 
assign ( resid  54 and name    HA )    ( resid  55 and name    HN )     2.300 0.700 0.700 !   796 
assign ( resid  53 and name   HG1 )    ( resid  54 and name    HN )     3.600 1.600 1.600 !   799 
assign ( resid  40 and name    HN )    ( resid  39 and name    HN )     3.100 1.200 1.200 !   803 
assign ( resid  39 and name    HA )    ( resid  40 and name    HN )     3.000 1.100 1.100 !   810 
assign ( resid  54 and name   HG2 )    ( resid  55 and name    HN )     3.800 1.800 1.800 !   824 
assign ( resid  17 and name    HA )    ( resid  18 and name    HN )     3.000 1.100 1.100 !   826 
assign ( resid  19 and name    HA )    ( resid  20 and name    HN )     3.400 1.500 1.500 !   828 
assign ( resid  27 and name    HA )    ( resid  28 and name    HN )     2.400 0.700 0.700 !   829 
assign ( resid  10 and name    HA )    ( resid  11 and name    HN )     2.100 0.500 0.500 !   830 
assign ( resid  97 and name   HG2 )    ( resid  98 and name    HN )     3.900 1.900 1.900 !   835 
assign ( resid  97 and name   HG1 )    ( resid  98 and name    HN )     3.200 1.300 1.300 !   836 
assign ( resid  90 and name    HN )    ( resid  92 and name    HN )     4.200 1.600 1.600 !   837
assign ( resid  40 and name    HN )    ( resid  41 and name    HN )     3.900 1.900 1.900 !   854 
assign ( resid  19 and name    HN )    ( resid  18 and name    HN )     3.500 1.500 1.500 !   857 
assign ( resid  43 and name  HD1# )    ( resid  44 and name    HN )     2.900 0.700 0.700 !   860 
assign ( resid  40 and name    HA )    ( resid  41 and name    HN )     2.600 0.500 0.500 !   865
assign ( resid  78 and name   HD2 )    ( resid  65 and name    HN )     3.900 1.900 1.900 !   873 
assign ( resid  64 and name   HG2 )    ( resid  65 and name    HN )     3.600 1.600 1.600 !   874 
assign ( resid  64 and name   HB2 )    ( resid  65 and name    HN )     2.500 0.800 0.800 !   877 
assign ( resid  32 and name    HA )    ( resid  33 and name    HN )     2.400 0.700 0.700 !   880 
assign ( resid  74 and name  HG2# )    ( resid  75 and name    HN )     3.700 1.700 1.700 !   886 
assign ( resid  77 and name   HB2 )    ( resid  78 and name    HN )     3.300 1.300 1.300 !   890 
assign ( resid  24 and name  HD2# )    ( resid  25 and name    HN )     2.500 0.800 0.800 !   892 
assign ( resid  81 and name  HD21 )    ( resid  84 and name    HN )     4.200 1.700 1.700 !   896
assign ( resid  85 and name   HB# )    ( resid  84 and name    HN )     3.400 1.500 1.500 !   902 
assign ( resid  12 and name  HG2# )    ( resid  13 and name    HN )     3.100 1.200 1.200 !   904 
assign ( resid  21 and name   HB2 )    ( resid  17 and name    HN )     4.800 2.900 1.200 !   908 
assign ( resid  21 and name   HB1 )    ( resid  17 and name    HN )     5.500 3.800 0.500 !   909 
assign ( resid  10 and name   HB1 )    ( resid  11 and name    HN )     3.000 1.100 1.100 !   921 
assign ( resid  11 and name    HB )    ( resid  12 and name    HN )     3.900 1.900 1.900 !   924 
assign ( resid  26 and name  HD2# )    ( resid  27 and name    HN )     3.500 1.500 1.500 !   929 
assign ( resid  74 and name    HA )    ( resid  69 and name    HN )     3.600 1.600 1.600 !   931 
assign ( resid  79 and name    HN )    ( resid  78 and name    HN )     3.400 1.400 1.400 !   934 
assign ( resid  81 and name  HD22 )    ( resid  84 and name    HN )     3.700 1.700 1.700 !   936 
assign ( resid  68 and name    HN )    ( resid  69 and name    HN )     3.500 1.600 1.600 !   939 
assign ( resid  41 and name   HB1 )    ( resid  42 and name    HN )     3.700 1.700 1.700 !   940 
assign ( resid  44 and name    HA )    ( resid  33 and name    HN )     3.600 1.600 1.600 !   942 
assign ( resid  43 and name    HB )    ( resid  33 and name    HN )     3.500 1.600 1.600 !   943 
assign ( resid  43 and name  HD1# )    ( resid  33 and name    HN )     2.800 1.000 1.000 !   944 
assign ( resid  43 and name    HN )    ( resid  44 and name    HN )     4.200 1.400 1.400 !   945
assign ( resid  32 and name   HB# )    ( resid  33 and name    HN )     2.500 0.800 0.800 !   946 
assign ( resid  43 and name    HA )    ( resid  44 and name    HN )     2.100 0.600 0.600 !   949 
assign ( resid  34 and name    HA )    ( resid  42 and name    HN )     2.600 0.900 0.900 !   950 
assign ( resid  34 and name   HB# )    ( resid  42 and name    HN )     3.500 1.500 1.500 !   951 
assign ( resid  45 and name    HN )    ( resid  31 and name    HN )     3.300 1.300 1.300 !   955 
assign ( resid  15 and name    HA )    ( resid  22 and name    HN )     3.500 1.500 1.500 !   961 
assign ( resid  69 and name  HD2# )    ( resid  51 and name    HN )     5.100 3.200 0.900 !   963 
assign ( resid  69 and name    HG )    ( resid  51 and name    HN )     5.200 3.400 0.800 !   964 
assign ( resid  54 and name   HB2 )    ( resid  55 and name    HN )     3.600 1.600 1.600 !   971 
assign ( resid  54 and name   HB1 )    ( resid  55 and name    HN )     3.300 1.300 1.300 !   972 
assign ( resid  54 and name   HD2 )    ( resid  55 and name    HN )     3.900 1.900 1.900 !   973 
assign ( resid  75 and name    HN )    ( resid  74 and name    HN )     4.300 2.300 1.700 !   983 
assign ( resid  68 and name    HA )    ( resid  51 and name    HN )     4.500 2.500 1.500 !   993 
assign ( resid  78 and name    HN )    ( resid  77 and name    HN )     4.200 0.500 2.500 !   997
assign ( resid  88 and name    HN )    ( resid  89 and name    HN )     2.500 0.800 0.800 !   998 
assign ( resid  83 and name    HA )    ( resid  84 and name    HN )     3.300 1.400 1.400 !  1001 
assign ( resid  84 and name    HN )    ( resid  83 and name    HN )     3.400 1.400 1.400 !  1007 
assign ( resid  75 and name    HN )    ( resid  76 and name    HN )     4.200 1.200 1.200 !  1008
assign ( resid  75 and name  HG2# )    ( resid  76 and name    HN )     2.900 1.000 1.000 !  1011 
assign ( resid  63 and name  HG2# )    ( resid  64 and name    HN )     3.300 1.400 1.400 !  1012 
assign ( resid   3 and name    HA )    ( resid   4 and name    HN )     3.700 1.700 1.700 !  1017 
assign ( resid   3 and name    HB )    ( resid   4 and name    HN )     3.100 1.200 1.200 !  1019 
assign ( resid  76 and name    HA )    ( resid  77 and name    HN )     2.000 0.500 0.500 !  1021 
assign ( resid   8 and name    HA )    ( resid   9 and name    HN )     2.200 0.600 0.600 !  1037 
assign ( resid   8 and name    HA )    ( resid  28 and name    HN )     2.700 0.900 0.900 !  1040
assign ( resid  17 and name   HG1 )    ( resid  18 and name    HN )     3.200 1.300 1.300 !  1058 
assign ( resid  17 and name   HG2 )    ( resid  18 and name    HN )     4.300 2.300 1.700 !  1059 
assign ( resid  17 and name   HB1 )    ( resid  18 and name    HN )     3.300 1.400 1.400 !  1062 
assign ( resid  25 and name   HB2 )    ( resid  26 and name    HN )     4.500 2.500 1.500 !  1063 
assign ( resid  60 and name   HB2 )    ( resid  63 and name    HN )     3.400 1.400 1.400 !  1071 
assign ( resid  60 and name   HB1 )    ( resid  63 and name    HN )     3.400 1.400 1.400 !  1073 
assign ( resid  26 and name    HG )    ( resid  27 and name    HN )     3.000 1.100 1.100 !  1075 
assign ( resid  68 and name  HG2# )    ( resid  69 and name    HN )     2.700 0.900 0.900 !  1078 
assign ( resid 104 and name    HA )    ( resid 105 and name    HN )     2.200 0.600 0.600 !  1083 
assign ( resid 101 and name   HD1 )    ( resid 100 and name    HN )     2.500 0.800 0.800 !  1091 
assign ( resid  99 and name    HA )    ( resid 100 and name    HN )     3.100 1.200 1.200 !  1093 
assign ( resid  13 and name   HB1 )    ( resid  14 and name    HN )     2.700 0.900 0.900 !  1095 
assign ( resid   6 and name   HB1 )    ( resid   7 and name    HN )     2.500 0.800 0.800 !  1098 
assign ( resid   6 and name   HB2 )    ( resid   7 and name    HN )     2.600 0.800 0.800 !  1099 
assign ( resid   7 and name   HG1 )    ( resid   8 and name    HN )     4.300 2.400 1.700 !  1106 
assign ( resid  88 and name   HG1 )    ( resid  90 and name    HN )     3.600 1.200 1.200 !  1108 
assign ( resid  88 and name   HG2 )    ( resid  90 and name    HN )     3.500 1.500 1.500 !  1109 
assign ( resid  88 and name   HB2 )    ( resid  90 and name    HN )     3.400 1.500 1.500 !  1110 
assign ( resid  98 and name   HB1 )    ( resid  99 and name    HN )     2.300 0.700 0.700 !  1113 
assign ( resid  10 and name   HB2 )    ( resid  11 and name    HN )     2.900 1.000 1.000 !  1116 
assign ( resid  40 and name   HB1 )    ( resid  41 and name    HN )     2.800 1.000 1.000 !  1121 
assign ( resid  40 and name   HB2 )    ( resid  41 and name    HN )     2.600 0.800 0.800 !  1122 
assign ( resid  14 and name   HG1 )    ( resid  22 and name    HN )     4.500 2.500 1.500 !  1126 
assign ( resid  21 and name   HB2 )    ( resid  22 and name    HN )     3.500 1.600 1.600 !  1128 
assign ( resid  15 and name    HB )    ( resid  22 and name    HN )     3.100 1.200 1.200 !  1129 
assign ( resid  21 and name   HB1 )    ( resid  22 and name    HN )     3.900 1.900 1.900 !  1130 
assign ( resid  86 and name  HG1# )    ( resid  87 and name    HN )     2.900 1.100 1.100 !  1138 
assign ( resid  86 and name    HB )    ( resid  87 and name    HN )     2.000 0.500 0.500 !  1141 
assign ( resid 102 and name   HB2 )    ( resid 103 and name    HN )     3.000 1.100 1.100 !  1142 
assign ( resid 102 and name   HB1 )    ( resid 103 and name    HN )     3.100 1.200 1.200 !  1143 
assign ( resid  97 and name   HB1 )    ( resid  98 and name    HN )     3.500 1.500 1.500 !  1145 
assign ( resid 101 and name    HA )    ( resid 102 and name    HN )     3.900 1.900 1.900 !  1146 
assign ( resid  99 and name    HA )    ( resid 102 and name    HN )     3.500 1.500 1.500 !  1147 
assign ( resid 101 and name   HB1 )    ( resid 102 and name    HN )     3.500 1.500 1.500 !  1148 
assign ( resid 101 and name   HG1 )    ( resid 102 and name    HN )     4.100 2.100 1.900 !  1149 
assign ( resid 101 and name   HG2 )    ( resid 102 and name    HN )     4.400 2.400 1.600 !  1150 
assign ( resid  27 and name   HG1 )    ( resid  30 and name    HN )     3.900 1.900 1.900 !  1157 
assign ( resid  27 and name   HG2 )    ( resid  30 and name    HN )     3.100 1.200 1.200 !  1158 
assign ( resid  79 and name   HB1 )    ( resid  80 and name    HN )     4.200 2.200 1.800 !  1159 
assign ( resid  32 and name    HN )    ( resid  25 and name    HN )     2.900 1.000 1.000 !  1175 
assign ( resid  76 and name    HN )    ( resid  77 and name    HN )     4.100 2.100 1.900 !  1178 
assign ( resid  97 and name    HN )    ( resid  99 and name    HN )     4.200 1.400 1.400 !  1179
assign ( resid  16 and name   HG1 )    ( resid  17 and name    HN )     3.900 1.900 1.900 !  1184 
assign ( resid  11 and name  HD1# )    ( resid  12 and name    HN )     4.400 2.400 1.600 !  1187 
assign ( resid  13 and name   HG1 )    ( resid  14 and name    HN )     3.200 1.300 1.300 !  1189 
assign ( resid  46 and name   HG1 )    ( resid  47 and name    HN )     4.900 3.000 1.100 !  1196 
assign ( resid  46 and name   HG2 )    ( resid  47 and name    HN )     5.000 3.200 1.000 !  1197 
assign ( resid  46 and name   HB1 )    ( resid  47 and name    HN )     3.200 1.300 1.300 !  1199 
assign ( resid  50 and name    HB )    ( resid  51 and name    HN )     4.400 2.400 1.600 !  1200 
assign ( resid  50 and name  HG12 )    ( resid  51 and name    HN )     4.900 3.000 1.100 !  1201 
assign ( resid  50 and name  HG11 )    ( resid  51 and name    HN )     5.000 3.100 1.000 !  1202 
assign ( resid  66 and name   HB2 )    ( resid  67 and name    HN )     3.700 1.700 1.700 !  1203 
assign ( resid  69 and name    HG )    ( resid  70 and name    HN )     4.500 2.500 1.500 !  1205 
assign ( resid  15 and name    HB )    ( resid  78 and name    HN )     4.600 2.700 1.400 !  1206 
assign ( resid  79 and name   HB2 )    ( resid  80 and name    HN )     4.200 2.200 1.800 !  1207 
assign ( resid  88 and name   HB1 )    ( resid  90 and name    HN )     4.100 2.100 1.900 !  1211 
assign ( resid  90 and name   HB1 )    ( resid  91 and name    HN )     2.800 1.000 1.000 !  1213 
assign ( resid  90 and name    HA )    ( resid  91 and name    HN )     3.600 1.600 1.600 !  1214 
assign ( resid  88 and name    HA )    ( resid  91 and name    HN )     3.200 1.300 1.300 !  1215 
assign ( resid  96 and name  HD2# )    ( resid  97 and name  HE21 )     3.800 1.800 1.800 !  1217 
assign ( resid  96 and name    HG )    ( resid  97 and name  HE21 )     3.600 1.700 1.700 !  1218 
assign ( resid  99 and name    HG )    ( resid 100 and name    HN )     3.600 1.700 1.700 !  1219 
assign ( resid  22 and name   HA1 )    ( resid  15 and name    HN )     3.300 1.300 1.300 !  1220 
assign ( resid  55 and name    HN )    ( resid  54 and name    HN )     4.200 2.200 1.800 !  1226 
assign ( resid  47 and name   HD# )    ( resid  30 and name    HN )     3.200 1.300 1.300 !  1233 
assign ( resid  77 and name   HE# )    ( resid  78 and name    HN )     4.800 2.900 1.200 !  1239 
assign ( resid  15 and name  HG1# )    ( resid  78 and name    HN )     3.800 1.800 1.800 !  1245 
assign ( resid  67 and name    HN )    ( resid  66 and name    HN )     3.900 1.900 1.900 !  1247 
assign ( resid  11 and name  HG12 )    ( resid  12 and name    HN )     2.500 0.800 0.800 !  1259 
assign ( resid  96 and name   HB2 )    ( resid  97 and name  HE21 )     3.400 1.500 1.500 !  1260 
assign ( resid  96 and name   HB1 )    ( resid  97 and name  HE21 )     3.200 1.300 1.300 !  1261 
assign ( resid   5 and name   HB2 )    ( resid   6 and name    HN )     3.700 1.700 1.700 !  1264 
assign ( resid  20 and name   HB1 )    ( resid  21 and name    HN )     2.900 1.000 1.000 !  1271 
assign ( resid  20 and name   HB2 )    ( resid  21 and name    HN )     4.600 2.600 1.400 !  1272 
assign ( resid  46 and name   HG2 )    ( resid  49 and name    HN )     5.100 3.200 0.900 !  1277 
assign ( resid  31 and name  HD1# )    ( resid  32 and name    HN )     3.200 1.300 1.300 !  1278 
assign ( resid 102 and name   HD# )    ( resid  47 and name   HD# )     3.600 1.600 1.600 !   313
assign ( resid  89 and name   HD# )    ( resid  79 and name    HZ )     3.600 1.700 1.700 !   344
assign ( resid  51 and name   HG# )    ( resid  70 and name    HN )     4.600 2.700 1.400 !   498
assign ( resid  93 and name   HG# )    ( resid  94 and name    HN )     3.200 1.300 1.300 !   609
assign ( resid 101 and name   HG# )    ( resid 100 and name    HN )     3.500 1.500 1.500 !   780
assign ( resid  54 and name   HD# )    ( resid  55 and name    HN )     3.700 1.700 1.700 !   824
assign ( resid  62 and name   HG# )    ( resid  63 and name    HN )     4.300 2.300 1.700 !   875
assign ( resid  62 and name   HB# )    ( resid  63 and name    HN )     3.800 1.800 1.800 !  1071
assign ( resid 104 and name   HE# )    ( resid 105 and name    HN )     4.200 2.200 1.800 !  1082
assign ( resid 101 and name   HG# )    ( resid 102 and name    HN )     4.200 2.200 1.800 !  1149
assign ( resid  18 and name   HD# )    ( resid  19 and name    HN )     3.900 1.900 1.900 !  1220
assign ( resid  18 and name   HG# )    ( resid  19 and name    HN )     3.400 1.400 1.400 !  1221
assign ( resid  46 and name   HG# )    ( resid  45 and name    HA )     4.800 2.800 1.200 !  1480
assign ( resid  60 and name   HD# )    ( resid  61 and name    HN )     3.500 1.600 1.600 !  1783
assign ( resid  60 and name   HG# )    ( resid  61 and name    HN )     3.900 1.900 1.900 !  1784
assign ( resid  89 and name   HG# )    ( resid  79 and name   HE# )     4.700 2.800 1.300 !  1968
assign ( resid  24 and name   HB# )    ( resid  77 and name    HZ )     4.200 2.200 1.800 !  1986
assign ( resid  89 and name   HD# )    ( resid  79 and name   HE# )     3.000 1.200 1.200 !  2059
assign ( resid  89 and name   HD# )    ( resid  92 and name    HN )     3.800 1.800 1.800 !  2121
assign ( resid 102 and name   HG# )    ( resid 103 and name   HD# )     2.600 0.800 0.800 !  2133
assign ( resid 102 and name   HG# )    ( resid 103 and name   HE# )     2.600 0.800 0.800 !  2134
assign ( resid  93 and name   HE# )    ( resid  55 and name  HG2# )     3.100 1.200 1.200 !  2161
assign ( resid  30 and name   HG# )    ( resid  45 and name   HB2 )     3.600 1.700 1.700 !  2162
assign ( resid  89 and name   HD# )    ( resid  92 and name  HG2# )     3.400 1.400 1.400 !  2171
assign ( resid  88 and name   HB# )    ( resid  12 and name  HG2# )     4.200 2.200 1.800 !  2245
assign ( resid  17 and name   HG# )    ( resid  21 and name    HA )     3.200 1.200 1.200 !  2372
assign ( resid  93 and name   HD# )    ( resid  57 and name   HG1 )     2.300 0.600 0.600 !  2426
assign ( resid  65 and name   HB# )    ( resid  57 and name   HG1 )     2.600 0.800 0.800 !  2427
assign ( resid  87 and name   HB# )    ( resid  88 and name    HA )     3.000 1.100 1.100 !  2430
assign ( resid  51 and name   HD# )    ( resid  67 and name    HA )     4.300 2.300 1.700 !  2445
assign ( resid  12 and name  HG## )    ( resid  24 and name    HA )     4.400 2.400 1.600 !  2469
assign ( resid  30 and name   HG# )    ( resid  46 and name    HA )     3.200 1.300 1.300 !  2486
assign ( resid  30 and name   HG# )    ( resid  31 and name    HA )     2.800 1.000 1.000 !  2505
assign ( resid  19 and name   HG# )    ( resid  21 and name    HA )     3.600 1.600 1.600 !  2554
assign ( resid  30 and name   HG# )    ( resid  27 and name   HB1 )     2.600 0.800 0.800 !  2580
assign ( resid  12 and name  HG## )    ( resid  92 and name    HB )     3.900 1.900 1.900 !  2583
assign ( resid  54 and name   HG# )    ( resid  67 and name    HN )     4.000 2.000 2.000 !  2649
assign ( resid  62 and name   HD# )    ( resid  64 and name  HE21 )     4.300 2.300 1.700 !  2681
assign ( resid  83 and name   HB# )    ( resid  85 and name    HN )     3.300 1.300 1.300 !  2704
assign ( resid  30 and name   HG# )    ( resid  47 and name    HN )     5.100 3.200 0.900 !  2714
assign ( resid  19 and name   HD# )    ( resid  33 and name   HE1 )     3.800 1.800 1.800 !  2725
assign ( resid  19 and name   HG# )    ( resid  33 and name   HE1 )     3.700 1.700 1.700 !  2727
assign ( resid  64 and name   HB# )    ( resid  62 and name    HN )     4.300 2.400 1.700 !  2740
assign ( resid  83 and name   HB# )    ( resid  82 and name    HN )     4.500 2.500 1.500 !  2751
assign ( resid  19 and name   HG# )    ( resid  20 and name    HN )     4.600 2.700 1.400 !  2874
assign ( resid  30 and name   HG# )    ( resid  45 and name   HD2 )     3.500 1.500 1.500 !  2925
assign ( resid  51 and name   HD# )    ( resid  52 and name    HN )     2.800 1.000 1.000 !  3022
assign ( resid  67 and name   HB# )    ( resid  68 and name    HN )     3.800 1.900 1.900 !  3064
assign ( resid  12 and name  HG## )    ( resid  92 and name    HA )     4.800 2.900 1.200 !  3070
assign ( resid 102 and name   HD# )    ( resid 103 and name   HE# )     2.900 1.100 1.100 !  3146
assign ( resid  12 and name  HG## )    ( resid  92 and name    HN )     5.600 3.900 0.400 !  3161
assign ( resid  62 and name   HB# )    ( resid  78 and name   HD2 )     5.300 3.500 0.700 !  3288
assign ( resid  62 and name   HD# )    ( resid  78 and name   HD2 )     3.300 1.400 1.400 !  3289
assign ( resid  62 and name   HG# )    ( resid  78 and name   HD2 )     2.700 0.900 0.900 !  3290
assign ( resid  50 and name  HG## )    ( resid  69 and name  HD1# )     3.300 1.300 1.300 !  3322
assign ( resid 104 and name   HB# )    ( resid 105 and name    HN )     2.800 1.000 1.000 !   464
assign ( resid  51 and name   HG# )    ( resid  52 and name    HN )     2.500 0.800 0.800 !   480
assign ( resid  30 and name   HG# )    ( resid  31 and name    HN )     2.500 0.800 0.800 !   664
assign ( resid  70 and name   HB# )    ( resid  71 and name    HN )     3.700 1.700 1.700 !   761
assign ( resid  83 and name   HB# )    ( resid  84 and name    HN )     3.200 1.300 1.300 !  1003
assign ( resid  60 and name   HG# )    ( resid  63 and name    HN )     4.300 2.300 1.700 !  1070
assign ( resid  40 and name   HG# )    ( resid  41 and name    HN )     3.700 1.700 1.700 !  1123
assign ( resid  93 and name   HD# )    ( resid  94 and name    HN )     3.700 1.700 1.700 !  1276
assign ((resid  55 and name  HG2# ) or ( resid  55 and name  HG11))
                                       ( resid  56 and name    HN )     3.900 1.900 1.900 !  1559
assign ((resid  83 and name   HB# ) or ( resid 101 and name   HG1))
                                       ( resid  82 and name   HG1 )     4.200 2.300 1.800 !  1981
assign ((resid  89 and name   HD# ) or ( resid  88 and name   HB1))
                                       ( resid  89 and name   HG1 )     2.800 0.900 0.900 !  2249
assign ((resid  18 and name   HD# ) or ( resid  20 and name   HB1))
                                       ( resid  18 and name   HG2 )     2.000 0.500 0.500 !  2865

!! H-BONDS:
!! A-helix:
assign ( resid  90 and name    HN )    ( resid  86 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  90 and name     N )    ( resid  86 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  91 and name    HN )    ( resid  87 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  91 and name     N )    ( resid  87 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  92 and name    HN )    ( resid  88 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  92 and name     N )    ( resid  88 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  93 and name    HN )    ( resid  89 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  93 and name     N )    ( resid  89 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  94 and name    HN )    ( resid  90 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  94 and name     N )    ( resid  90 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  95 and name    HN )    ( resid  91 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  95 and name     N )    ( resid  91 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  96 and name    HN )    ( resid  92 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  96 and name     N )    ( resid  92 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  97 and name    HN )    ( resid  93 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  97 and name     N )    ( resid  93 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid  99 and name    HN )    ( resid  95 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  99 and name     N )    ( resid  95 and name     O )     2.900 0.300 0.500 !  Hbon
assign ( resid 100 and name    HN )    ( resid  96 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid 100 and name     N )    ( resid  96 and name     O )     2.900 0.300 0.500 !  Hbon

!! B-sheets:
assign ( resid  10 and name    HN )    ( resid  26 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  10 and name     N )    ( resid  26 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  26 and name    HN )    ( resid  10 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  26 and name     N )    ( resid  10 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  12 and name    HN )    ( resid  24 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  12 and name     N )    ( resid  24 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  24 and name    HN )    ( resid  12 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  24 and name     N )    ( resid  12 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  15 and name    HN )    ( resid  22 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  15 and name     N )    ( resid  22 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  16 and name    HN )    ( resid  78 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  16 and name     N )    ( resid  78 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  78 and name    HN )    ( resid  16 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  78 and name     N )    ( resid  16 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  23 and name    HN )    ( resid  34 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  23 and name     N )    ( resid  34 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  34 and name    HN )    ( resid  23 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  34 and name     N )    ( resid  23 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  25 and name    HN )    ( resid  32 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  25 and name     N )    ( resid  32 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  32 and name    HN )    ( resid  25 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  32 and name     N )    ( resid  25 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  27 and name    HN )    ( resid  30 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  27 and name     N )    ( resid  30 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  30 and name    HN )    ( resid  27 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  30 and name     N )    ( resid  27 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  47 and name    HN )    ( resid  29 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  47 and name     N )    ( resid  29 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  31 and name    HN )    ( resid  45 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  31 and name     N )    ( resid  45 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  45 and name    HN )    ( resid  31 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  45 and name     N )    ( resid  31 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  33 and name    HN )    ( resid  43 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  33 and name     N )    ( resid  43 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  49 and name    HN )    ( resid  46 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  49 and name     N )    ( resid  46 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  50 and name    HN )    ( resid  47 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  50 and name     N )    ( resid  47 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  51 and name    HN )    ( resid  68 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  51 and name     N )    ( resid  68 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  65 and name    HN )    ( resid  77 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  65 and name     N )    ( resid  77 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  77 and name    HN )    ( resid  65 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  77 and name     N )    ( resid  65 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  67 and name    HN )    ( resid  75 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  67 and name     N )    ( resid  75 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  68 and name    HN )    ( resid  52 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  68 and name     N )    ( resid  52 and name     O )     2.900 0.300 0.300 !  Hbon
assign ( resid  69 and name    HN )    ( resid  73 and name     O )     1.900 0.500 0.100 !  Hbon
assign ( resid  69 and name     N )    ( resid  73 and name     O )     2.900 0.300 0.300 !  Hbon

!! Standard restraints for B-sheets:
assign ( resid   8 and name    HA )    ( resid  27 and name    HA )     2.300 0.500 0.750 !  stnd
assign ( resid   9 and name    HN )    ( resid  27 and name    HA )     3.200 1.400 0.750 !  stnd
assign ( resid  12 and name    HN )    ( resid  24 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  13 and name    HA )    ( resid  23 and name    HA )     2.800 0.500 0.300 !  stnd
assign ( resid  21 and name    HA )    ( resid  16 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  10 and name    HN )    ( resid  26 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  27 and name    HA )    ( resid   9 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  15 and name    HN )    ( resid  22 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  16 and name    HA )    ( resid  22 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  21 and name    HA )    ( resid  17 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  20 and name    HN )    ( resid  17 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  23 and name    HN )    ( resid  34 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  24 and name    HA )    ( resid  33 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  24 and name    HA )    ( resid  34 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  25 and name    HN )    ( resid  32 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  25 and name    HN )    ( resid  33 and name    HA )     3.200 1.400 0.750 !  stnd
assign ( resid  26 and name    HA )    ( resid  31 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  27 and name    HN )    ( resid  30 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  31 and name    HA )    ( resid  27 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  30 and name    HA )    ( resid  46 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  46 and name    HA )    ( resid  31 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  30 and name    HA )    ( resid  47 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  31 and name    HN )    ( resid  45 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  32 and name    HA )    ( resid  44 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  32 and name    HA )    ( resid  45 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  33 and name    HN )    ( resid  44 and name    HA )     3.200 1.400 0.750 !  stnd
assign ( resid  42 and name    HN )    ( resid  34 and name    HA )     3.200 1.400 0.750 !  stnd
assign ( resid  43 and name    HN )    ( resid  33 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  52 and name    HN )    ( resid  68 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  53 and name    HA )    ( resid  67 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  53 and name    HA )    ( resid  68 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  54 and name    HN )    ( resid  66 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  55 and name    HA )    ( resid  66 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  65 and name    HA )    ( resid  56 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  67 and name    HA )    ( resid  54 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  64 and name    HA )    ( resid  78 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  64 and name    HA )    ( resid  79 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  65 and name    HN )    ( resid  77 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  66 and name    HA )    ( resid  76 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  66 and name    HA )    ( resid  77 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  67 and name    HN )    ( resid  75 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  67 and name    HN )    ( resid  76 and name    HA )     3.200 1.400 0.750 !  stnd
assign ( resid  68 and name    HA )    ( resid  74 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  68 and name    HA )    ( resid  75 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  77 and name    HA )    ( resid  17 and name    HA )     2.300 0.500 0.800 !  stnd
assign ( resid  78 and name    HA )    ( resid  65 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  15 and name    HA )    ( resid  79 and name    HA )     2.300 0.500 0.300 !  stnd
assign ( resid  78 and name    HN )    ( resid  16 and name    HN )     3.300 1.500 0.750 !  stnd
assign ( resid  79 and name    HA )    ( resid  16 and name    HN )     3.200 1.400 0.750 !  stnd
assign ( resid  78 and name    HN )    ( resid  17 and name    HA )     3.200 1.400 0.750 !  stnd

!! PHI & PSI dihedral restraints:
assign ( resid   5 and name    c  )    ( resid   6 and name    n  )
       ( resid   6 and name    ca )    ( resid   6 and name    c  )     2.0  -85.0  30 2
assign ( resid   6 and name    n  )    ( resid   6 and name    ca )
       ( resid   6 and name    c  )    ( resid   7 and name    n  )     2.0  132.0  30 2
assign ( resid   6 and name    c  )    ( resid   7 and name    n  )
       ( resid   7 and name    ca )    ( resid   7 and name    c  )     2.0  -88.0  30 2
assign ( resid   7 and name    n  )    ( resid   7 and name    ca )
       ( resid   7 and name    c  )    ( resid   8 and name    n  )     2.0  130.0  30 2
assign ( resid   7 and name    c  )    ( resid   8 and name    n  )
       ( resid   8 and name    ca )    ( resid   8 and name    c  )     6.0  -120.0 20 2
assign ( resid   8 and name    n  )    ( resid   8 and name    ca )
       ( resid   8 and name    c  )    ( resid   9 and name    n  )     6.0  124.0  30 2
assign ( resid   8 and name    c  )    ( resid   9 and name    n  )
       ( resid   9 and name    ca )    ( resid   9 and name    c  )     6.0  -120.0 20 2
assign ( resid   9 and name    c  )    ( resid  10 and name    n  )
       ( resid  10 and name    ca )    ( resid  10 and name    c  )     6.0  -162.0 30 2
assign ( resid  10 and name    n  )    ( resid  10 and name    ca )
       ( resid  10 and name    c  )    ( resid  11 and name    n  )     6.0  143.0  30 2
assign ( resid  10 and name    c  )    ( resid  11 and name    n  )
       ( resid  11 and name    ca )    ( resid  11 and name    c  )     6.0  -120.0 20 2
assign ( resid  11 and name    n  )    ( resid  11 and name    ca )
       ( resid  11 and name    c  )    ( resid  12 and name    n  )     6.0  126.0  30 2
assign ( resid  11 and name    c  )    ( resid  12 and name    n  )
       ( resid  12 and name    ca )    ( resid  12 and name    c  )     6.0  -120.0 20 2
assign ( resid  12 and name    n  )    ( resid  12 and name    ca )
       ( resid  12 and name    c  )    ( resid  13 and name    n  )     6.0  127.0  30 2
assign ( resid  12 and name    c  )    ( resid  13 and name    n  )
       ( resid  13 and name    ca )    ( resid  13 and name    c  )     6.0   -90.0 40 2
assign ( resid  13 and name    n  )    ( resid  13 and name    ca )
       ( resid  13 and name    c  )    ( resid  14 and name    n  )     6.0  -50.0  30 2
assign ( resid  13 and name    c  )    ( resid  14 and name    n  )
       ( resid  14 and name    ca )    ( resid  14 and name    c  )     6.0   -90.0 40 2
assign ( resid  14 and name    n  )    ( resid  14 and name    ca )
       ( resid  14 and name    c  )    ( resid  15 and name    n  )     6.0  135.0  30 2
assign ( resid  14 and name    c  )    ( resid  15 and name    n  )
       ( resid  15 and name    ca )    ( resid  15 and name    c  )     6.0  -130.0 20 2
assign ( resid  15 and name    n  )    ( resid  15 and name    ca )
       ( resid  15 and name    c  )    ( resid  16 and name    n  )     6.0  133.0  30 2
assign ( resid  15 and name    c  )    ( resid  16 and name    n  )
       ( resid  16 and name    ca )    ( resid  16 and name    c  )     6.0  -130.0 20 2
assign ( resid  16 and name    n  )    ( resid  16 and name    ca )
       ( resid  16 and name    c  )    ( resid  17 and name    n  )     6.0  136.0  30 2
assign ( resid  16 and name    c  )    ( resid  17 and name    n  )
       ( resid  17 and name    ca )    ( resid  17 and name    c  )     6.0  -130.0 20 2
assign ( resid  17 and name    n  )    ( resid  17 and name    ca )
       ( resid  17 and name    c  )    ( resid  18 and name    n  )     6.0  135.0  25 2
assign ( resid  17 and name    c  )    ( resid  18 and name    n  )
       ( resid  18 and name    ca )    ( resid  18 and name    c  )     4.0  -69.0  30 2
assign ( resid  18 and name    n  )    ( resid  18 and name    ca )
       ( resid  18 and name    c  )    ( resid  19 and name    n  )     4.0  -31.0  30 2
assign ( resid  19 and name    c  )    ( resid  20 and name    n  )
       ( resid  20 and name    ca )    ( resid  20 and name    c  )     6.0  -130.0 20 2
assign ( resid  20 and name    n  )    ( resid  20 and name    ca )
       ( resid  20 and name    c  )    ( resid  21 and name    n  )     6.0  135.0  30 2
assign ( resid  20 and name    c  )    ( resid  21 and name    n  )
       ( resid  21 and name    ca )    ( resid  21 and name    c  )     6.0  -130.0 20 2
assign ( resid  21 and name    n  )    ( resid  21 and name    ca )
       ( resid  21 and name    c  )    ( resid  22 and name    n  )     6.0  136.0  30 2
assign ( resid  21 and name    c  )    ( resid  22 and name    n  )
       ( resid  22 and name    ca )    ( resid  22 and name    c  )     6.0  -130.0 30 2
assign ( resid  22 and name    n  )    ( resid  22 and name    ca )
       ( resid  22 and name    c  )    ( resid  23 and name    n  )     6.0  135.0  30 2
assign ( resid  22 and name    c  )    ( resid  23 and name    n  )
       ( resid  23 and name    ca )    ( resid  23 and name    c  )     6.0  -106.0 20 2
assign ( resid  23 and name    n  )    ( resid  23 and name    ca )
       ( resid  23 and name    c  )    ( resid  24 and name    n  )     6.0  149.0  30 2
assign ( resid  23 and name    c  )    ( resid  24 and name    n  )
       ( resid  24 and name    ca )    ( resid  24 and name    c  )     6.0  -130.0 20 2
assign ( resid  24 and name    n  )    ( resid  24 and name    ca )
       ( resid  24 and name    c  )    ( resid  25 and name    n  )     6.0  125.0  30 2
assign ( resid  24 and name    c  )    ( resid  25 and name    n  )
       ( resid  25 and name    ca )    ( resid  25 and name    c  )     6.0  -130.0 20 2
assign ( resid  25 and name    n  )    ( resid  25 and name    ca )
       ( resid  25 and name    c  )    ( resid  26 and name    n  )     6.0  145.0  30 2
assign ( resid  25 and name    c  )    ( resid  26 and name    n  )
       ( resid  26 and name    ca )    ( resid  26 and name    c  )     6.0  -130.0 20 2
assign ( resid  26 and name    n  )    ( resid  26 and name    ca )
       ( resid  26 and name    c  )    ( resid  27 and name    n  )     6.0  129.0  30 2
assign ( resid  26 and name    c  )    ( resid  27 and name    n  )
       ( resid  27 and name    ca )    ( resid  27 and name    c  )     6.0  -130.0 20 2
assign ( resid  26 and name    n  )    ( resid  26 and name    ca )
       ( resid  26 and name    c  )    ( resid  27 and name    n  )     6.0  135.0  30 2
assign ( resid  27 and name    c  )    ( resid  28 and name    n  )
       ( resid  28 and name    ca )    ( resid  28 and name    c  )     2.0  -68.0  30 2
assign ( resid  28 and name    n  )    ( resid  28 and name    ca )
       ( resid  28 and name    c  )    ( resid  29 and name    n  )     2.0  -25.0  30 2
assign ( resid  28 and name    c  )    ( resid  29 and name    n  )
       ( resid  29 and name    ca )    ( resid  29 and name    c  )     2.0  -120.0 30 2
assign ( resid  29 and name    c  )    ( resid  30 and name    n  )
       ( resid  30 and name    ca )    ( resid  30 and name    c  )     2.0  -160.0 20 2
assign ( resid  30 and name    n  )    ( resid  30 and name    ca )
       ( resid  30 and name    c  )    ( resid  31 and name    n  )     2.0  135.0  30 2
assign ( resid  30 and name    c  )    ( resid  31 and name    n  )
       ( resid  31 and name    ca )    ( resid  31 and name    c  )     2.0  -130.0 20 2
assign ( resid  31 and name    n  )    ( resid  31 and name    ca )
       ( resid  31 and name    c  )    ( resid  32 and name    n  )     2.0  134.0  30 2
assign ( resid  31 and name    c  )    ( resid  32 and name    n  )
       ( resid  32 and name    ca )    ( resid  32 and name    c  )     2.0  -130.0 20 2
assign ( resid  32 and name    n  )    ( resid  32 and name    ca )
       ( resid  32 and name    c  )    ( resid  33 and name    n  )     2.0  132.0  30 2
assign ( resid  32 and name    c  )    ( resid  33 and name    n  )
       ( resid  33 and name    ca )    ( resid  33 and name    c  )     2.0  -130.0 20 2
assign ( resid  33 and name    n  )    ( resid  33 and name    ca )
       ( resid  33 and name    c  )    ( resid  34 and name    n  )     2.0  144.0  30 2
assign ( resid  33 and name    c  )    ( resid  34 and name    n  )
       ( resid  34 and name    ca )    ( resid  34 and name    c  )     2.0  -130.0 20 2
assign ( resid  34 and name    n  )    ( resid  34 and name    ca )
       ( resid  34 and name    c  )    ( resid  35 and name    n  )     2.0  135.0  30 2
assign ( resid  42 and name    c  )    ( resid  43 and name    n  )
       ( resid  43 and name    ca )    ( resid  43 and name    c  )     2.0  -130.0 20 2
assign ( resid  43 and name    n  )    ( resid  43 and name    ca )
       ( resid  43 and name    c  )    ( resid  44 and name    n  )     2.0  147.0  30 2
assign ( resid  43 and name    c  )    ( resid  44 and name    n  )
       ( resid  44 and name    ca )    ( resid  44 and name    c  )     2.0  -152.0 20 2
assign ( resid  44 and name    n  )    ( resid  44 and name    ca )
       ( resid  44 and name    c  )    ( resid  45 and name    n  )     2.0  132.0  30 2
assign ( resid  44 and name    c  )    ( resid  45 and name    n  )
       ( resid  45 and name    ca )    ( resid  45 and name    c  )     2.0  -130.0 20 2
assign ( resid  45 and name    n  )    ( resid  45 and name    ca )
       ( resid  45 and name    c  )    ( resid  46 and name    n  )     2.0  135.0  30 2
assign ( resid  45 and name    c  )    ( resid  46 and name    n  )
       ( resid  46 and name    ca )    ( resid  46 and name    c  )     2.0   -67.0 30 2
assign ( resid  46 and name    c  )    ( resid  47 and name    n  )
       ( resid  47 and name    ca )    ( resid  47 and name    c  )     7.0  -49.0  20 2
assign ( resid  47 and name    n  )    ( resid  47 and name    ca )
       ( resid  47 and name    c  )    ( resid  48 and name    n  )     7.0  -26.0  20 2
assign ( resid  47 and name    c  )    ( resid  48 and name    n  )
       ( resid  48 and name    ca )    ( resid  48 and name    c  )     7.0  -49.0  20 2
assign ( resid  48 and name    n  )    ( resid  48 and name    ca )
       ( resid  48 and name    c  )    ( resid  49 and name    n  )     7.0  -26.0  20 2
assign ( resid  48 and name    c  )    ( resid  49 and name    n  )
       ( resid  49 and name    ca )    ( resid  49 and name    c  )     7.0  -49.0  20 2
assign ( resid  49 and name    n  )    ( resid  49 and name    ca )
       ( resid  49 and name    c  )    ( resid  50 and name    n  )     7.0  -26.0  20 2
assign ( resid  49 and name    c  )    ( resid  50 and name    n  )
       ( resid  50 and name    ca )    ( resid  50 and name    c  )     6.0  -130.0 20 2
assign ( resid  50 and name    n  )    ( resid  50 and name    ca )
       ( resid  50 and name    c  )    ( resid  51 and name    n  )     6.0  135.0  30 2
assign ( resid  50 and name    c  )    ( resid  51 and name    n  )
       ( resid  51 and name    ca )    ( resid  51 and name    c  )     6.0  -130.0 20 2
assign ( resid  51 and name    n  )    ( resid  51 and name    ca )
       ( resid  51 and name    c  )    ( resid  52 and name    n  )     6.0  135.0  30 2
assign ( resid  51 and name    c  )    ( resid  52 and name    n  )
       ( resid  52 and name    ca )    ( resid  52 and name    c  )     6.0  -165.0 20 2
assign ( resid  52 and name    n  )    ( resid  52 and name    ca )
       ( resid  52 and name    c  )    ( resid  53 and name    n  )     6.0  135.0  30 2
assign ( resid  52 and name    c  )    ( resid  53 and name    n  )
       ( resid  53 and name    ca )    ( resid  53 and name    c  )     6.0  -175.0 30 2
assign ( resid  53 and name    n  )    ( resid  53 and name    ca )
       ( resid  53 and name    c  )    ( resid  54 and name    n  )     6.0  151.0  30 2
assign ( resid  53 and name    c  )    ( resid  54 and name    n  )
       ( resid  54 and name    ca )    ( resid  54 and name    c  )     2.0  -130.0 20 2
assign ( resid  54 and name    n  )    ( resid  54 and name    ca )
       ( resid  54 and name    c  )    ( resid  55 and name    n  )     2.0  144.0  30 2
assign ( resid  54 and name    c  )    ( resid  55 and name    n  )
       ( resid  55 and name    ca )    ( resid  55 and name    c  )     2.0  -130.0 20 2
assign ( resid  55 and name    n  )    ( resid  55 and name    ca )
       ( resid  55 and name    c  )    ( resid  56 and name    n  )     2.0  134.0  30 2
assign ( resid  55 and name    c  )    ( resid  56 and name    n  )
       ( resid  56 and name    ca )    ( resid  56 and name    c  )     2.0   -58.0 60 2
assign ( resid  58 and name    c  )    ( resid  59 and name    n  )
       ( resid  59 and name    ca )    ( resid  59 and name    c  )     2.0  -120.0 20 2
assign ( resid  59 and name    c  )    ( resid  60 and name    n  )
       ( resid  60 and name    ca )    ( resid  60 and name    c  )     2.0  -85.0  30 2
assign ( resid  61 and name    c  )    ( resid  62 and name    n  )
       ( resid  62 and name    ca )    ( resid  62 and name    c  )     2.0  -130.0 40 2
assign ( resid  63 and name    n  )    ( resid  63 and name    ca )
       ( resid  63 and name    c  )    ( resid  64 and name    n  )     2.0   40.0  40 2
assign ( resid  63 and name    c  )    ( resid  64 and name    n  )
       ( resid  64 and name    ca )    ( resid  64 and name    c  )     2.0  -130.0 20 2
assign ( resid  64 and name    n  )    ( resid  64 and name    ca )
       ( resid  64 and name    c  )    ( resid  65 and name    n  )     2.0  150.0  30 2
assign ( resid  64 and name    c  )    ( resid  65 and name    n  )
       ( resid  65 and name    ca )    ( resid  65 and name    c  )     2.0  -130.0 20 2
assign ( resid  65 and name    n  )    ( resid  65 and name    ca )
       ( resid  65 and name    c  )    ( resid  66 and name    n  )     2.0  141.0  30 2
assign ( resid  65 and name    c  )    ( resid  66 and name    n  )
       ( resid  66 and name    ca )    ( resid  66 and name    c  )     2.0  -130.0 20 2
assign ( resid  66 and name    n  )    ( resid  66 and name    ca )
       ( resid  66 and name    c  )    ( resid  67 and name    n  )     2.0  141.0  30 2
assign ( resid  66 and name    c  )    ( resid  67 and name    n  )
       ( resid  67 and name    ca )    ( resid  67 and name    c  )     2.0  -130.0 20 2
assign ( resid  67 and name    n  )    ( resid  67 and name    ca )
       ( resid  67 and name    c  )    ( resid  68 and name    n  )     2.0  129.0  30 2
assign ( resid  67 and name    c  )    ( resid  68 and name    n  )
       ( resid  68 and name    ca )    ( resid  68 and name    c  )     2.0  -130.0 20 2
assign ( resid  68 and name    n  )    ( resid  68 and name    ca )
       ( resid  68 and name    c  )    ( resid  69 and name    n  )     2.0  127.0  30 2
assign ( resid  68 and name    c  )    ( resid  69 and name    n  )
       ( resid  69 and name    ca )    ( resid  69 and name    c  )     2.0   -87.0 20 2
assign ( resid  69 and name    n  )    ( resid  69 and name    ca )
       ( resid  69 and name    c  )    ( resid  70 and name    n  )     2.0  135.0  30 2
assign ( resid  69 and name    c  )    ( resid  70 and name    n  )
       ( resid  70 and name    ca )    ( resid  70 and name    c  )     2.0  -68.0  30 2
assign ( resid  70 and name    n  )    ( resid  70 and name    ca )
       ( resid  70 and name    c  )    ( resid  71 and name    n  )     2.0  -30.0  30 2
assign ( resid  71 and name    c  )    ( resid  72 and name    n  )
       ( resid  72 and name    ca )    ( resid  72 and name    c  )     2.0  -130.0 20 2
assign ( resid  72 and name    c  )    ( resid  73 and name    n  )
       ( resid  73 and name    ca )    ( resid  73 and name    c  )     2.0  -160.0 30 2
assign ( resid  73 and name    c  )    ( resid  74 and name    n  )
       ( resid  74 and name    ca )    ( resid  74 and name    c  )     2.0  -130.0 20 2
assign ( resid  74 and name    n  )    ( resid  74 and name    ca )
       ( resid  74 and name    c  )    ( resid  75 and name    n  )     2.0  135.0  30 2
assign ( resid  74 and name    c  )    ( resid  75 and name    n  )
       ( resid  75 and name    ca )    ( resid  75 and name    c  )     2.0  -130.0 20 2
assign ( resid  75 and name    n  )    ( resid  75 and name    ca )
       ( resid  75 and name    c  )    ( resid  76 and name    n  )     2.0  135.0  30 2
assign ( resid  75 and name    c  )    ( resid  76 and name    n  )
       ( resid  76 and name    ca )    ( resid  76 and name    c  )     2.0  -130.0 20 2
assign ( resid  76 and name    n  )    ( resid  76 and name    ca )
       ( resid  76 and name    c  )    ( resid  77 and name    n  )     2.0  135.0  30 2
assign ( resid  76 and name    c  )    ( resid  77 and name    n  )
       ( resid  77 and name    ca )    ( resid  77 and name    c  )     2.0  -130.0 20 2
assign ( resid  77 and name    n  )    ( resid  77 and name    ca )
       ( resid  77 and name    c  )    ( resid  78 and name    n  )     2.0  135.0  30 2
assign ( resid  77 and name    c  )    ( resid  78 and name    n  )
       ( resid  78 and name    ca )    ( resid  78 and name    c  )     2.0  -130.0 20 2
assign ( resid  78 and name    n  )    ( resid  78 and name    ca )
       ( resid  78 and name    c  )    ( resid  79 and name    n  )     2.0  135.0  30 2
assign ( resid  78 and name    c  )    ( resid  79 and name    n  )
       ( resid  79 and name    ca )    ( resid  79 and name    c  )     2.0  -130.0 20 2
assign ( resid  79 and name    n  )    ( resid  79 and name    ca )
       ( resid  79 and name    c  )    ( resid  80 and name    n  )     2.0  135.0  30 2
assign ( resid  79 and name    c  )    ( resid  80 and name    n  )
       ( resid  80 and name    ca )    ( resid  80 and name    c  )     4.0  -145.0 30 2
assign ( resid  83 and name    c  )    ( resid  84 and name    n  )
       ( resid  84 and name    ca )    ( resid  84 and name    c  )     4.0  -120.0 30 2
assign ( resid  84 and name    c  )    ( resid  85 and name    n  )
       ( resid  85 and name    ca )    ( resid  85 and name    c  )     4.0  -60.0  30 2
assign ( resid  85 and name    c  )    ( resid  86 and name    n  )
       ( resid  86 and name    ca )    ( resid  86 and name    c  )     2.0  -120.0 30 2
assign ( resid  86 and name    c  )    ( resid  87 and name    n  )
       ( resid  87 and name    ca )    ( resid  87 and name    c  )     2.0  -95.0  60 2
assign ( resid  87 and name    n  )    ( resid  87 and name    ca )
       ( resid  87 and name    c  )    ( resid  88 and name    n  )     2.0  -47.0  30 2
assign ( resid  87 and name    c  )    ( resid  88 and name    n  )
       ( resid  88 and name    ca )    ( resid  88 and name    c  )     2.0  -68.0  30 2
assign ( resid  88 and name    n  )    ( resid  88 and name    ca )
       ( resid  88 and name    c  )    ( resid  89 and name    n  )     2.0  -42.0  30 2
assign ( resid  88 and name    c  )    ( resid  89 and name    n  )
       ( resid  89 and name    ca )    ( resid  89 and name    c  )     2.0  -61.0  30 2
assign ( resid  89 and name    n  )    ( resid  89 and name    ca )
       ( resid  89 and name    c  )    ( resid  90 and name    n  )     2.0  -38.0  30 2
assign ( resid  89 and name    c  )    ( resid  90 and name    n  )
       ( resid  90 and name    ca )    ( resid  90 and name    c  )     2.0  -57.0  30 2
assign ( resid  90 and name    n  )    ( resid  90 and name    ca )
       ( resid  90 and name    c  )    ( resid  91 and name    n  )     2.0  -41.0  30 2
assign ( resid  90 and name    c  )    ( resid  91 and name    n  )
       ( resid  91 and name    ca )    ( resid  91 and name    c  )     2.0  -66.0  30 2
assign ( resid  91 and name    n  )    ( resid  91 and name    ca )
       ( resid  91 and name    c  )    ( resid  92 and name    n  )     2.0  -38.0  30 2
assign ( resid  91 and name    c  )    ( resid  92 and name    n  )
       ( resid  92 and name    ca )    ( resid  92 and name    c  )     2.0  -70.0  30 2
assign ( resid  92 and name    n  )    ( resid  92 and name    ca )
       ( resid  92 and name    c  )    ( resid  93 and name    n  )     2.0  -41.0  30 2
assign ( resid  92 and name    c  )    ( resid  93 and name    n  )
       ( resid  93 and name    ca )    ( resid  93 and name    c  )     2.0  -50.0  30 2
assign ( resid  93 and name    n  )    ( resid  93 and name    ca )
       ( resid  93 and name    c  )    ( resid  94 and name    n  )     2.0  -37.0  30 2
assign ( resid  93 and name    c  )    ( resid  94 and name    n  )
       ( resid  94 and name    ca )    ( resid  94 and name    c  )     2.0  -59.0  30 2
assign ( resid  94 and name    n  )    ( resid  94 and name    ca )
       ( resid  94 and name    c  )    ( resid  95 and name    n  )     2.0  -39.0  30 2
assign ( resid  94 and name    c  )    ( resid  95 and name    n  )
       ( resid  95 and name    ca )    ( resid  95 and name    c  )     2.0  -77.0  35 2
assign ( resid  95 and name    n  )    ( resid  95 and name    ca )
       ( resid  95 and name    c  )    ( resid  96 and name    n  )     2.0  -38.0  30 2
assign ( resid  95 and name    c  )    ( resid  96 and name    n  )
       ( resid  96 and name    ca )    ( resid  96 and name    c  )     2.0  -62.0  30 2
assign ( resid  96 and name    n  )    ( resid  96 and name    ca )
       ( resid  96 and name    c  )    ( resid  97 and name    n  )     2.0  -38.0  30 2
assign ( resid  96 and name    c  )    ( resid  97 and name    n  )
       ( resid  97 and name    ca )    ( resid  97 and name    c  )     2.0  -60.0  30 2
assign ( resid  97 and name    n  )    ( resid  97 and name    ca )
       ( resid  97 and name    c  )    ( resid  98 and name    n  )     2.0  -32.0  30 2
assign ( resid  97 and name    c  )    ( resid  98 and name    n  )
       ( resid  98 and name    ca )    ( resid  98 and name    c  )     2.0  -99.0  40 2
assign ( resid  98 and name    n  )    ( resid  98 and name    ca )
       ( resid  98 and name    c  )    ( resid  99 and name    n  )     2.0  -29.0  30 2
assign ( resid  98 and name    c  )    ( resid  99 and name    n  )
       ( resid  99 and name    ca )    ( resid  99 and name    c  )     2.0  -79.0  30 2
assign ( resid  99 and name    n  )    ( resid  99 and name    ca )
       ( resid  99 and name    c  )    ( resid 100 and name    n  )     2.0  -39.0  30 2
assign ( resid  99 and name    c  )    ( resid 100 and name    n  )
       ( resid 100 and name    ca )    ( resid 100 and name    c  )     2.0  -57.0  30 2
assign ( resid 100 and name    n  )    ( resid 100 and name    ca )
       ( resid 100 and name    c  )    ( resid 101 and name    n  )     2.0  -40.0  30 2
assign ( resid 101 and name    c  )    ( resid 102 and name    n  )
       ( resid 102 and name    ca )    ( resid 102 and name    c  )     2.0  -80.0  30 2
assign ( resid 102 and name    n  )    ( resid 102 and name    ca )
       ( resid 102 and name    c  )    ( resid 103 and name    n  )     2.0  -26.0  34 2
assign ( resid 102 and name    c  )    ( resid 103 and name    n  )
       ( resid 103 and name    ca )    ( resid 103 and name    c  )     2.0  -101.0 30 2
assign ( resid 103 and name    n  )    ( resid 103 and name    ca )
       ( resid 103 and name    c  )    ( resid 104 and name    n  )     2.0  -13.0  46 2
assign ( resid   1 and name    c  )    ( resid   2 and name    n  )
       ( resid   2 and name    ca )    ( resid   2 and name    c  )     2.0  -90.0  70 2
assign ( resid   2 and name    c  )    ( resid   3 and name    n  )
       ( resid   3 and name    ca )    ( resid   3 and name    c  )     2.0  -90.0  70 2
assign ( resid   3 and name    c  )    ( resid   4 and name    n  )
       ( resid   4 and name    ca )    ( resid   4 and name    c  )     2.0  -90.0  70 2
assign ( resid   4 and name    c  )    ( resid   5 and name    n  )
       ( resid   5 and name    ca )    ( resid   5 and name    c  )     2.0  -90.0  70 2
assign ( resid  18 and name    c  )    ( resid  19 and name    n  )
       ( resid  19 and name    ca )    ( resid  19 and name    c  )     2.0  -90.0  70 2
assign ( resid  35 and name    c  )    ( resid  36 and name    n  )
       ( resid  36 and name    ca )    ( resid  36 and name    c  )     2.0  -90.0  70 2
assign ( resid  36 and name    c  )    ( resid  37 and name    n  )
       ( resid  37 and name    ca )    ( resid  37 and name    c  )     2.0  -90.0  70 2
assign ( resid  37 and name    c  )    ( resid  38 and name    n  )
       ( resid  38 and name    ca )    ( resid  38 and name    c  )     2.0  -90.0  70 2
assign ( resid  38 and name    c  )    ( resid  39 and name    n  )
       ( resid  39 and name    ca )    ( resid  39 and name    c  )     2.0  -90.0  70 2
assign ( resid  39 and name    c  )    ( resid  40 and name    n  )
       ( resid  40 and name    ca )    ( resid  40 and name    c  )     2.0  -90.0  70 2
assign ( resid  40 and name    c  )    ( resid  41 and name    n  )
       ( resid  41 and name    ca )    ( resid  41 and name    c  )     2.0  -90.0  70 2
assign ( resid  41 and name    c  )    ( resid  42 and name    n  )
       ( resid  42 and name    ca )    ( resid  42 and name    c  )     2.0  -90.0  70 2
assign ( resid  56 and name    c  )    ( resid  57 and name    n  )
       ( resid  57 and name    ca )    ( resid  57 and name    c  )     2.0  -90.0  70 2
assign ( resid  57 and name    c  )    ( resid  58 and name    n  )
       ( resid  58 and name    ca )    ( resid  58 and name    c  )     2.0  -90.0  70 2
assign ( resid  60 and name    c  )    ( resid  61 and name    n  )
       ( resid  61 and name    ca )    ( resid  61 and name    c  )     2.0  -90.0  70 2
assign ( resid  70 and name    c  )    ( resid  71 and name    n  )
       ( resid  71 and name    ca )    ( resid  71 and name    c  )     2.0  -90.0  70 2
assign ( resid  80 and name    c  )    ( resid  81 and name    n  )
       ( resid  81 and name    ca )    ( resid  81 and name    c  )     3.0  -90.0  60 2
assign ( resid  81 and name    c  )    ( resid  82 and name    n  )
       ( resid  82 and name    ca )    ( resid  82 and name    c  )     3.0  -90.0  60 2
assign ( resid  82 and name    c  )    ( resid  83 and name    n  )
       ( resid  83 and name    ca )    ( resid  83 and name    c  )     3.0  -90.0  60 2
assign ( resid 103 and name    c  )    ( resid 104 and name    n  )
       ( resid 104 and name    ca )    ( resid 104 and name    c  )     2.0  -90.0  70 2
assign ( resid 104 and name    c  )    ( resid 105 and name    n  )
       ( resid 105 and name    ca )    ( resid 105 and name    c  )     2.0  -90.0  70 2
assign ( resid 105 and name    c  )    ( resid 106 and name    n  )
       ( resid 106 and name    ca )    ( resid 106 and name    c  )     2.0  -90.0  70 2
assign ( resid 106 and name    c  )    ( resid 107 and name    n  )
       ( resid 107 and name    ca )    ( resid 107 and name    c  )     2.0  -90.0  70 2
assign ( resid 107 and name    c  )    ( resid 108 and name    n  )
       ( resid 108 and name    ca )    ( resid 108 and name    c  )     2.0  -90.0  70 2

!! Residual Dipolar Couplings values: 
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   2 and name N   )
       ( resid   2 and name HN  )     1.34 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   3 and name N   )
       ( resid   3 and name HN  )     1.73 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   4 and name N   )
       ( resid   4 and name HN  )    -0.95 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   6 and name N   )
       ( resid   6 and name HN  )     2.81 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   7 and name N   )
       ( resid   7 and name HN  )    -2.47 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   8 and name N   )
       ( resid   8 and name HN  )    -5.81 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid   9 and name N   )
       ( resid   9 and name HN  )    12.20 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  11 and name N   )
       ( resid  11 and name HN  )     9.89 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  12 and name N   )
       ( resid  12 and name HN  )     8.12 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  13 and name N   )
       ( resid  13 and name HN  )    12.91 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  14 and name N   )
       ( resid  14 and name HN  )     3.32 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  15 and name N   )
       ( resid  15 and name HN  )    -2.20 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  16 and name N   )
       ( resid  16 and name HN  )     2.51 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  18 and name N   )
       ( resid  18 and name HN  )     0.00 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  20 and name N   )
       ( resid  20 and name HN  )    -8.82 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  21 and name N   )
       ( resid  21 and name HN  )    -4.58 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  22 and name N   )
       ( resid  22 and name HN  )     4.04 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  23 and name N   )
       ( resid  23 and name HN  )     0.63 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  24 and name N   )
       ( resid  24 and name HN  )     3.52 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  25 and name N   )
       ( resid  25 and name HN  )    13.06 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  26 and name N   )
       ( resid  26 and name HN  )     8.07 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  27 and name N   )
       ( resid  27 and name HN  )     5.24 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  29 and name N   )
       ( resid  29 and name HN  )     0.83 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  30 and name N   )
       ( resid  30 and name HN  )     5.93 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  31 and name N   )
       ( resid  31 and name HN  )     6.65 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  33 and name N   )
       ( resid  33 and name HN  )     7.66 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  34 and name N   )
       ( resid  34 and name HN  )     8.26 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  36 and name N   )
       ( resid  36 and name HN  )    -0.22 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  39 and name N   )
       ( resid  39 and name HN  )     8.01 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  40 and name N   )
       ( resid  40 and name HN  )    -7.14 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  43 and name N   )
       ( resid  43 and name HN  )     9.42 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  44 and name N   )
       ( resid  44 and name HN  )    10.35 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  46 and name N   )
       ( resid  46 and name HN  )    15.37 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  47 and name N   )
       ( resid  47 and name HN  )     0.11 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  48 and name N   )
       ( resid  48 and name HN  )    -0.05 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  49 and name N   )
       ( resid  49 and name HN  )     1.94 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  50 and name N   )
       ( resid  50 and name HN  )     8.36 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  53 and name N   )
       ( resid  53 and name HN  )   -10.16 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  59 and name N   )
       ( resid  59 and name HN  )     9.49 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  60 and name N   )
       ( resid  60 and name HN  )     1.27 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  61 and name N   )
       ( resid  61 and name HN  )     1.86 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  62 and name N   )
       ( resid  62 and name HN  )     1.41 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  63 and name N   )
       ( resid  63 and name HN  )    -5.02 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  64 and name N   )
       ( resid  64 and name HN  )     2.10 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  67 and name N   )
       ( resid  67 and name HN  )    -4.48 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  69 and name N   )
       ( resid  69 and name HN  )    -0.77 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  71 and name N   )
       ( resid  71 and name HN  )     0.79 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  72 and name N   )
       ( resid  72 and name HN  )     9.90 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  73 and name N   )
       ( resid  73 and name HN  )    -7.79 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  74 and name N   )
       ( resid  74 and name HN  )     0.83 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  75 and name N   )
       ( resid  75 and name HN  )     0.31 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  76 and name N   )
       ( resid  76 and name HN  )     7.37 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  77 and name N   )
       ( resid  77 and name HN  )    -0.35 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  78 and name N   )
       ( resid  78 and name HN  )     3.60 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  79 and name N   )
       ( resid  79 and name HN  )    -0.78 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  80 and name N   )
       ( resid  80 and name HN  )    -3.34 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  83 and name N   )
       ( resid  83 and name HN  )     4.33 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  84 and name N   )
       ( resid  84 and name HN  )     8.97 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  85 and name N   )
       ( resid  85 and name HN  )    -5.68 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  86 and name N   )
       ( resid  86 and name HN  )     1.33 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  88 and name N   )
       ( resid  88 and name HN  )   -10.87 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  89 and name N   )
       ( resid  89 and name HN  )   -13.01 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  90 and name N   )
       ( resid  90 and name HN  )   -13.64 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  91 and name N   )
       ( resid  91 and name HN  )   -10.94 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  92 and name N   )
       ( resid  92 and name HN  )   -12.54 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  93 and name N   )
       ( resid  93 and name HN  )   -12.14 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  95 and name N   )
       ( resid  95 and name HN  )   -10.17 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  96 and name N   )
       ( resid  96 and name HN  )   -15.90 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  97 and name N   )
       ( resid  97 and name HN  )   -11.29 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid  98 and name N   )
       ( resid  98 and name HN  )   -10.30 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid 100 and name N   )
       ( resid 100 and name HN  )    -9.80 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid 102 and name N   )
       ( resid 102 and name HN  )   -12.82 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid 103 and name N   )
       ( resid 103 and name HN  )   -10.97 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid 104 and name N   )
       ( resid 104 and name HN  )     8.08 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid 105 and name N   )
       ( resid 105 and name HN  )    -3.39 0.2000
assign ( resid 999 and name OO  )
       ( resid 999 and name Z   )
       ( resid 999 and name X   )
       ( resid 999 and name Y   )
       ( resid 106 and name N   )
       ( resid 106 and name HN  )     0.25 0.2000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -18.287 -12.371  -2.971
    2   2H    MET   1          2H        MET   1 -19.844 -12.180  -3.289
    3   3H    MET   1          3H        MET   1 -18.748 -11.750  -4.373
    4    HA   MET   1           HA       MET   1 -18.173 -13.905  -4.923
    5   1HB   MET   1          2HB       MET   1 -18.784 -14.313  -2.200
    6   2HB   MET   1          1HB       MET   1 -19.903 -15.338  -3.098
    7   1HG   MET   1          2HG       MET   1 -18.177 -16.549  -4.122
    8   2HG   MET   1          1HG       MET   1 -16.988 -15.277  -3.839
    9   1HE   MET   1          1HE       MET   1 -18.033 -18.395  -3.311
   10   2HE   MET   1          2HE       MET   1 -19.037 -18.301  -1.867
   11   3HE   MET   1          3HE       MET   1 -17.422 -18.998  -1.764
   12    H    ALA   2           H        ALA   2 -20.354 -12.016  -5.554
   13    HA   ALA   2           HA       ALA   2 -22.550 -13.896  -6.144
   14   1HB   ALA   2          1HB       ALA   2 -23.839 -11.839  -6.676
   15   2HB   ALA   2          2HB       ALA   2 -22.420 -10.870  -6.279
   16   3HB   ALA   2          3HB       ALA   2 -23.216 -11.821  -5.026
   17    H    THR   3           H        THR   3 -19.907 -12.215  -7.575
   18    HA   THR   3           HA       THR   3 -21.037 -12.733 -10.260
   19    HB   THR   3           HB       THR   3 -18.747 -11.200 -10.596
   20    HG1  THR   3           HG1      THR   3 -20.183  -9.876  -8.612
   21   1HG2  THR   3          1HG2      THR   3 -20.216  -9.691 -11.532
   22   2HG2  THR   3          2HG2      THR   3 -21.363  -9.820 -10.199
   23   3HG2  THR   3          3HG2      THR   3 -21.284 -11.090 -11.420
   24    H    SER   4           H        SER   4 -17.804 -12.607  -8.711
   25    HA   SER   4           HA       SER   4 -17.274 -15.300  -9.717
   26   1HB   SER   4          2HB       SER   4 -16.397 -14.313 -11.610
   27   2HB   SER   4          1HB       SER   4 -16.034 -12.802 -10.782
   28    HG   SER   4           HG       SER   4 -14.114 -13.873 -11.157
   29    H    SER   5           H        SER   5 -14.742 -13.008  -8.947
   30    HA   SER   5           HA       SER   5 -14.608 -14.081  -6.205
   31   1HB   SER   5          2HB       SER   5 -11.952 -13.835  -7.189
   32   2HB   SER   5          1HB       SER   5 -12.783 -15.302  -6.678
   33    HG   SER   5           HG       SER   5 -13.696 -15.341  -8.833
   34    H    GLU   6           H        GLU   6 -12.559 -12.806  -5.152
   35    HA   GLU   6           HA       GLU   6 -13.362 -10.104  -5.043
   36   1HB   GLU   6          2HB       GLU   6 -10.603 -11.087  -4.317
   37   2HB   GLU   6          1HB       GLU   6 -11.518  -9.768  -3.589
   38   1HG   GLU   6          2HG       GLU   6 -12.070 -11.316  -2.017
   39   2HG   GLU   6          1HG       GLU   6 -13.236 -11.858  -3.224
   40    H    GLU   7           H        GLU   7 -12.000  -8.235  -5.655
   41    HA   GLU   7           HA       GLU   7 -10.515  -8.780  -8.162
   42   1HB   GLU   7          2HB       GLU   7 -11.928  -6.186  -7.541
   43   2HB   GLU   7          1HB       GLU   7 -11.387  -6.794  -9.106
   44   1HG   GLU   7          2HG       GLU   7 -13.073  -8.796  -8.346
   45   2HG   GLU   7          1HG       GLU   7 -13.859  -7.405  -7.599
   46    H    VAL   8           H        VAL   8  -8.327  -8.528  -7.624
   47    HA   VAL   8           HA       VAL   8  -7.670  -6.515  -5.610
   48    HB   VAL   8           HB       VAL   8  -6.711  -8.710  -5.271
   49   1HG1  VAL   8          1HG1      VAL   8  -5.924  -8.423  -8.171
   50   2HG1  VAL   8          2HG1      VAL   8  -6.831  -9.727  -7.404
   51   3HG1  VAL   8          3HG1      VAL   8  -5.102  -9.560  -7.103
   52   1HG2  VAL   8          1HG2      VAL   8  -4.711  -6.723  -6.389
   53   2HG2  VAL   8          2HG2      VAL   8  -4.254  -8.173  -5.497
   54   3HG2  VAL   8          3HG2      VAL   8  -5.197  -6.913  -4.704
   55    H    LEU   9           H        LEU   9  -5.999  -4.972  -6.054
   56    HA   LEU   9           HA       LEU   9  -6.063  -4.134  -8.869
   57   1HB   LEU   9          2HB       LEU   9  -6.784  -2.470  -7.286
   58   2HB   LEU   9          1HB       LEU   9  -5.304  -2.653  -6.346
   59    HG   LEU   9           HG       LEU   9  -3.988  -1.900  -8.319
   60   1HD1  LEU   9          1HD1      LEU   9  -5.191  -2.358 -10.243
   61   2HD1  LEU   9          2HD1      LEU   9  -5.602  -0.655 -10.038
   62   3HD1  LEU   9          3HD1      LEU   9  -6.731  -1.904  -9.513
   63   1HD2  LEU   9          1HD2      LEU   9  -6.216   0.026  -7.585
   64   2HD2  LEU   9          2HD2      LEU   9  -4.602   0.452  -8.154
   65   3HD2  LEU   9          3HD2      LEU   9  -4.810  -0.296  -6.571
   66    H    LEU  10           H        LEU  10  -3.461  -4.427  -6.288
   67    HA   LEU  10           HA       LEU  10  -1.697  -5.274  -8.443
   68   1HB   LEU  10          2HB       LEU  10  -1.689  -2.804  -8.666
   69   2HB   LEU  10          1HB       LEU  10  -1.152  -2.672  -6.992
   70    HG   LEU  10           HG       LEU  10   0.859  -4.022  -7.561
   71   1HD1  LEU  10          1HD1      LEU  10   1.364  -4.447  -9.934
   72   2HD1  LEU  10          2HD1      LEU  10  -0.191  -3.754 -10.395
   73   3HD1  LEU  10          3HD1      LEU  10  -0.133  -5.252  -9.465
   74   1HD2  LEU  10          1HD2      LEU  10   0.317  -1.517  -9.176
   75   2HD2  LEU  10          2HD2      LEU  10   1.913  -2.259  -9.062
   76   3HD2  LEU  10          3HD2      LEU  10   1.125  -1.634  -7.613
   77    H    ILE  11           H        ILE  11   0.463  -5.908  -7.603
   78    HA   ILE  11           HA       ILE  11   0.553  -6.163  -4.676
   79    HB   ILE  11           HB       ILE  11  -0.320  -8.275  -5.228
   80   1HG1  ILE  11          2HG1      ILE  11   2.031  -8.243  -4.074
   81   2HG1  ILE  11          1HG1      ILE  11   1.396  -9.773  -4.664
   82   1HG2  ILE  11          1HG2      ILE  11   1.443  -8.117  -7.683
   83   2HG2  ILE  11          2HG2      ILE  11  -0.320  -8.117  -7.623
   84   3HG2  ILE  11          3HG2      ILE  11   0.576  -9.578  -7.208
   85   1HD1  ILE  11          1HD1      ILE  11   3.073 -10.000  -6.155
   86   2HD1  ILE  11          2HD1      ILE  11   3.866  -8.663  -5.323
   87   3HD1  ILE  11          3HD1      ILE  11   2.866  -8.349  -6.741
   88    H    VAL  12           H        VAL  12   2.620  -5.983  -3.886
   89    HA   VAL  12           HA       VAL  12   4.794  -5.792  -5.884
   90    HB   VAL  12           HB       VAL  12   5.813  -4.158  -4.209
   91   1HG1  VAL  12          1HG1      VAL  12   3.345  -2.810  -5.015
   92   2HG1  VAL  12          2HG1      VAL  12   4.029  -3.786  -6.315
   93   3HG1  VAL  12          3HG1      VAL  12   5.001  -2.527  -5.553
   94   1HG2  VAL  12          1HG2      VAL  12   3.012  -3.749  -3.231
   95   2HG2  VAL  12          2HG2      VAL  12   4.537  -3.354  -2.450
   96   3HG2  VAL  12          3HG2      VAL  12   3.988  -5.017  -2.498
   97    H    LYS  13           H        LYS  13   5.755  -7.723  -5.613
   98    HA   LYS  13           HA       LYS  13   5.975  -9.259  -3.295
   99   1HB   LYS  13          2HB       LYS  13   7.254 -10.644  -4.595
  100   2HB   LYS  13          1HB       LYS  13   6.546  -9.656  -5.861
  101   1HG   LYS  13          2HG       LYS  13   9.238  -9.104  -4.588
  102   2HG   LYS  13          1HG       LYS  13   9.018  -9.954  -6.116
  103   1HD   LYS  13          2HD       LYS  13   7.672  -7.306  -5.796
  104   2HD   LYS  13          1HD       LYS  13   9.418  -7.317  -6.047
  105   1HE   LYS  13          2HE       LYS  13   7.693  -9.018  -7.813
  106   2HE   LYS  13          1HE       LYS  13   7.777  -7.284  -8.121
  107   1HZ   LYS  13          1HZ       LYS  13  10.311  -8.387  -7.672
  108   2HZ   LYS  13          2HZ       LYS  13   9.792  -7.540  -8.927
  109   3HZ   LYS  13          3HZ       LYS  13   9.588  -9.127  -8.894
  110    H    LYS  14           H        LYS  14   7.554  -6.417  -4.125
  111    HA   LYS  14           HA       LYS  14   9.574  -6.923  -2.016
  112   1HB   LYS  14          2HB       LYS  14  10.242  -6.423  -4.537
  113   2HB   LYS  14          1HB       LYS  14   9.977  -4.756  -4.027
  114   1HG   LYS  14          2HG       LYS  14  12.290  -5.232  -3.610
  115   2HG   LYS  14          1HG       LYS  14  11.485  -5.242  -2.040
  116   1HD   LYS  14          2HD       LYS  14  11.180  -7.806  -2.519
  117   2HD   LYS  14          1HD       LYS  14  12.509  -7.561  -3.653
  118   1HE   LYS  14          2HE       LYS  14  13.985  -7.584  -1.957
  119   2HE   LYS  14          1HE       LYS  14  13.152  -6.227  -1.198
  120   1HZ   LYS  14          1HZ       LYS  14  13.269  -8.651  -0.167
  121   2HZ   LYS  14          2HZ       LYS  14  11.857  -8.739  -0.913
  122   3HZ   LYS  14          3HZ       LYS  14  12.114  -7.599   0.180
  123    H    VAL  15           H        VAL  15   9.168  -5.813  -0.199
  124    HA   VAL  15           HA       VAL  15   8.680  -3.003  -0.478
  125    HB   VAL  15           HB       VAL  15   6.446  -4.667   0.626
  126   1HG1  VAL  15          1HG1      VAL  15   7.178  -2.933   2.336
  127   2HG1  VAL  15          2HG1      VAL  15   5.550  -2.702   1.700
  128   3HG1  VAL  15          3HG1      VAL  15   6.877  -1.705   1.104
  129   1HG2  VAL  15          1HG2      VAL  15   5.948  -4.075  -1.529
  130   2HG2  VAL  15          2HG2      VAL  15   6.999  -2.661  -1.490
  131   3HG2  VAL  15          3HG2      VAL  15   5.412  -2.600  -0.724
  132    H    ARG  16           H        ARG  16   9.113  -1.817   1.345
  133    HA   ARG  16           HA       ARG  16  10.464  -3.328   3.499
  134   1HB   ARG  16          2HB       ARG  16  12.217  -2.325   2.246
  135   2HB   ARG  16          1HB       ARG  16  11.267  -0.895   1.896
  136   1HG   ARG  16          2HG       ARG  16  11.962   0.143   3.763
  137   2HG   ARG  16          1HG       ARG  16  11.587  -1.253   4.762
  138   1HD   ARG  16          2HD       ARG  16  14.151  -0.545   3.368
  139   2HD   ARG  16          1HD       ARG  16  13.905  -1.104   5.022
  140    HE   ARG  16           HE       ARG  16  13.145  -3.248   3.526
  141   1HH1  ARG  16          1HH2      ARG  16  15.893  -1.155   3.680
  142   2HH1  ARG  16          2HH2      ARG  16  17.002  -2.360   3.119
  143   1HH2  ARG  16          1HH1      ARG  16  14.591  -4.822   2.778
  144   2HH2  ARG  16          2HH1      ARG  16  16.269  -4.429   2.612
  145    H    GLN  17           H        GLN  17   9.773  -2.786   5.487
  146    HA   GLN  17           HA       GLN  17   8.511  -0.157   5.793
  147   1HB   GLN  17          2HB       GLN  17   6.561  -1.051   6.833
  148   2HB   GLN  17          1HB       GLN  17   6.775  -1.984   5.368
  149   1HG   GLN  17          2HG       GLN  17   7.765  -3.798   6.616
  150   2HG   GLN  17          1HG       GLN  17   7.729  -2.840   8.094
  151   1HE2  GLN  17          1HE2      GLN  17   5.772  -4.766   5.895
  152   2HE2  GLN  17          2HE2      GLN  17   4.348  -4.712   6.818
  153    H    LYS  18           H        LYS  18   9.153   0.754   7.675
  154    HA   LYS  18           HA       LYS  18  11.402   0.219   8.939
  155   1HB   LYS  18          2HB       LYS  18   8.869   1.383   9.982
  156   2HB   LYS  18          1HB       LYS  18  10.140   1.028  11.153
  157   1HG   LYS  18          2HG       LYS  18  11.738   2.367   9.886
  158   2HG   LYS  18          1HG       LYS  18  10.540   2.650   8.623
  159   1HD   LYS  18          2HD       LYS  18   9.119   3.869  10.186
  160   2HD   LYS  18          1HD       LYS  18  10.222   3.507  11.514
  161   1HE   LYS  18          2HE       LYS  18  10.682   5.759  10.731
  162   2HE   LYS  18          1HE       LYS  18  12.029   4.721  10.264
  163   1HZ   LYS  18          1HZ       LYS  18  11.627   5.414   8.231
  164   2HZ   LYS  18          2HZ       LYS  18  10.245   6.121   8.620
  165   3HZ   LYS  18          3HZ       LYS  18  10.268   4.569   8.230
  166    H    LYS  19           H        LYS  19   8.544  -1.767   9.412
  167    HA   LYS  19           HA       LYS  19   9.672  -3.071  11.726
  168   1HB   LYS  19          2HB       LYS  19   7.617  -4.062  11.910
  169   2HB   LYS  19          1HB       LYS  19   7.115  -2.857  10.735
  170   1HG   LYS  19          2HG       LYS  19   7.323  -4.449   8.904
  171   2HG   LYS  19          1HG       LYS  19   8.146  -5.603   9.936
  172   1HD   LYS  19          2HD       LYS  19   5.600  -5.883   9.347
  173   2HD   LYS  19          1HD       LYS  19   6.180  -6.257  10.975
  174   1HE   LYS  19          2HE       LYS  19   5.358  -3.438  10.446
  175   2HE   LYS  19          1HE       LYS  19   4.074  -4.643  10.547
  176   1HZ   LYS  19          1HZ       LYS  19   5.960  -4.966  12.587
  177   2HZ   LYS  19          2HZ       LYS  19   4.378  -4.761  12.707
  178   3HZ   LYS  19          3HZ       LYS  19   5.345  -3.488  12.629
  179    H    GLN  20           H        GLN  20   8.979  -4.092   8.405
  180    HA   GLN  20           HA       GLN  20  11.365  -5.744   8.339
  181   1HB   GLN  20          2HB       GLN  20   8.622  -6.754   8.667
  182   2HB   GLN  20          1HB       GLN  20   9.570  -7.547   7.409
  183   1HG   GLN  20          2HG       GLN  20  11.246  -7.102   9.668
  184   2HG   GLN  20          1HG       GLN  20   9.771  -7.894  10.228
  185   1HE2  GLN  20          1HE2      GLN  20  12.567  -9.037   9.877
  186   2HE2  GLN  20          2HE2      GLN  20  12.365 -10.375   8.852
  187    H    ASP  21           H        ASP  21  11.523  -6.850   6.145
  188    HA   ASP  21           HA       ASP  21  10.408  -4.997   4.131
  189   1HB   ASP  21          2HB       ASP  21  12.546  -7.016   3.483
  190   2HB   ASP  21          1HB       ASP  21  12.297  -5.413   2.776
  191    H    GLY  22           H        GLY  22   8.938  -5.942   2.852
  192   1HA   GLY  22          2HA       GLY  22   8.633  -8.798   2.674
  193   2HA   GLY  22          1HA       GLY  22   7.440  -8.028   3.686
  194    H    ALA  23           H        ALA  23   6.699  -9.307   1.284
  195    HA   ALA  23           HA       ALA  23   6.405  -7.315  -0.727
  196   1HB   ALA  23          1HB       ALA  23   4.927  -9.104  -1.760
  197   2HB   ALA  23          2HB       ALA  23   5.308 -10.100  -0.355
  198   3HB   ALA  23          3HB       ALA  23   6.594  -9.584  -1.445
  199    H    LEU  24           H        LEU  24   4.852  -6.167  -1.135
  200    HA   LEU  24           HA       LEU  24   2.540  -5.975   0.723
  201   1HB   LEU  24          2HB       LEU  24   4.311  -4.073  -0.481
  202   2HB   LEU  24          1HB       LEU  24   2.670  -3.676  -0.951
  203    HG   LEU  24           HG       LEU  24   3.821  -3.939   1.821
  204   1HD1  LEU  24          1HD1      LEU  24   4.009  -1.708   1.438
  205   2HD1  LEU  24          2HD1      LEU  24   2.249  -1.646   1.545
  206   3HD1  LEU  24          3HD1      LEU  24   3.034  -1.804  -0.024
  207   1HD2  LEU  24          1HD2      LEU  24   1.276  -3.237   2.303
  208   2HD2  LEU  24          2HD2      LEU  24   1.778  -4.927   2.259
  209   3HD2  LEU  24          3HD2      LEU  24   1.005  -4.199   0.850
  210    H    TYR  25           H        TYR  25   0.522  -6.335   0.050
  211    HA   TYR  25           HA       TYR  25  -0.003  -6.716  -2.850
  212   1HB   TYR  25          2HB       TYR  25  -0.905  -8.022  -0.322
  213   2HB   TYR  25          1HB       TYR  25  -2.106  -7.844  -1.594
  214    HD1  TYR  25           HD1      TYR  25   1.077  -9.421  -0.632
  215    HD2  TYR  25           HD2      TYR  25  -1.928  -9.045  -3.671
  216    HE1  TYR  25           HE1      TYR  25   1.955 -11.459  -1.735
  217    HE2  TYR  25           HE2      TYR  25  -1.062 -11.094  -4.779
  218    HH   TYR  25           HH       TYR  25   1.865 -12.723  -3.598
  219    H    LEU  26           H        LEU  26  -1.704  -5.245  -3.740
  220    HA   LEU  26           HA       LEU  26  -3.089  -3.738  -1.633
  221   1HB   LEU  26          2HB       LEU  26  -1.894  -2.127  -2.844
  222   2HB   LEU  26          1HB       LEU  26  -1.992  -3.041  -4.346
  223    HG   LEU  26           HG       LEU  26  -4.476  -2.557  -4.377
  224   1HD1  LEU  26          1HD1      LEU  26  -5.397  -1.690  -2.515
  225   2HD1  LEU  26          2HD1      LEU  26  -4.468  -0.217  -2.786
  226   3HD1  LEU  26          3HD1      LEU  26  -3.805  -1.504  -1.779
  227   1HD2  LEU  26          1HD2      LEU  26  -2.343  -0.453  -4.560
  228   2HD2  LEU  26          2HD2      LEU  26  -4.028   0.005  -4.803
  229   3HD2  LEU  26          3HD2      LEU  26  -3.283  -1.202  -5.851
  230    H    MET  27           H        MET  27  -5.293  -3.998  -1.635
  231    HA   MET  27           HA       MET  27  -6.482  -5.449  -3.927
  232   1HB   MET  27          2HB       MET  27  -6.568  -6.821  -1.921
  233   2HB   MET  27          1HB       MET  27  -7.209  -5.474  -0.988
  234   1HG   MET  27          2HG       MET  27  -9.328  -5.816  -1.723
  235   2HG   MET  27          1HG       MET  27  -8.789  -6.075  -3.384
  236   1HE   MET  27          1HE       MET  27  -8.754  -9.502  -4.110
  237   2HE   MET  27          2HE       MET  27  -8.651  -7.791  -4.518
  238   3HE   MET  27          3HE       MET  27 -10.204  -8.490  -4.068
  239    H    ALA  28           H        ALA  28  -8.611  -4.719  -4.534
  240    HA   ALA  28           HA       ALA  28  -9.018  -2.093  -4.906
  241   1HB   ALA  28          1HB       ALA  28 -10.811  -3.017  -5.895
  242   2HB   ALA  28          2HB       ALA  28 -11.597  -3.035  -4.316
  243   3HB   ALA  28          3HB       ALA  28 -10.701  -4.450  -4.871
  244    H    GLU  29           H        GLU  29 -10.488  -3.755  -1.977
  245    HA   GLU  29           HA       GLU  29 -10.835  -1.060  -0.906
  246   1HB   GLU  29          2HB       GLU  29 -12.791  -2.467  -1.000
  247   2HB   GLU  29          1HB       GLU  29 -11.914  -3.793  -0.230
  248   1HG   GLU  29          2HG       GLU  29 -12.303  -2.969   1.842
  249   2HG   GLU  29          1HG       GLU  29 -11.849  -1.333   1.369
  250    H    ARG  30           H        ARG  30  -8.293  -3.176  -0.708
  251    HA   ARG  30           HA       ARG  30  -7.703  -2.128   1.931
  252   1HB   ARG  30          2HB       ARG  30  -7.743  -4.035   3.193
  253   2HB   ARG  30          1HB       ARG  30  -9.112  -4.327   2.142
  254   1HG   ARG  30          2HG       ARG  30  -6.874  -5.342   0.774
  255   2HG   ARG  30          1HG       ARG  30  -6.667  -5.836   2.452
  256   1HD   ARG  30          2HD       ARG  30  -8.008  -7.492   1.177
  257   2HD   ARG  30          1HD       ARG  30  -8.936  -6.765   2.484
  258    HE   ARG  30           HE       ARG  30  -9.389  -5.180   0.250
  259   1HH1  ARG  30          1HH2      ARG  30  -9.727  -8.494   1.174
  260   2HH1  ARG  30          2HH2      ARG  30 -11.087  -8.776   0.140
  261   1HH2  ARG  30          1HH1      ARG  30 -11.164  -5.540  -1.098
  262   2HH2  ARG  30          2HH1      ARG  30 -11.899  -7.107  -1.143
  263    H    ILE  31           H        ILE  31  -5.614  -2.788   2.756
  264    HA   ILE  31           HA       ILE  31  -3.710  -3.233   0.530
  265    HB   ILE  31           HB       ILE  31  -3.749  -1.405   2.888
  266   1HG1  ILE  31          2HG1      ILE  31  -3.973  -0.793   0.421
  267   2HG1  ILE  31          1HG1      ILE  31  -2.757   0.105   1.328
  268   1HG2  ILE  31          1HG2      ILE  31  -1.842  -2.960   3.391
  269   2HG2  ILE  31          2HG2      ILE  31  -1.319  -1.308   3.062
  270   3HG2  ILE  31          3HG2      ILE  31  -1.145  -2.552   1.824
  271   1HD1  ILE  31          1HD1      ILE  31  -1.926  -2.425  -0.038
  272   2HD1  ILE  31          2HD1      ILE  31  -0.986  -0.969   0.288
  273   3HD1  ILE  31          3HD1      ILE  31  -2.167  -0.981  -1.022
  274    H    ALA  32           H        ALA  32  -2.629  -5.155   0.644
  275    HA   ALA  32           HA       ALA  32  -2.658  -6.591   3.228
  276   1HB   ALA  32          1HB       ALA  32  -1.963  -8.422   1.295
  277   2HB   ALA  32          2HB       ALA  32  -3.114  -7.385   0.454
  278   3HB   ALA  32          3HB       ALA  32  -3.585  -8.196   1.947
  279    H    TRP  33           H        TRP  33  -0.869  -7.835   3.787
  280    HA   TRP  33           HA       TRP  33   1.663  -7.024   2.493
  281   1HB   TRP  33          2HB       TRP  33   1.332  -5.650   4.544
  282   2HB   TRP  33          1HB       TRP  33   1.258  -7.141   5.484
  283    HD1  TRP  33           HD1      TRP  33   3.541  -6.301   2.535
  284    HE1  TRP  33           HE1      TRP  33   5.968  -6.517   3.333
  285    HE3  TRP  33           HE3      TRP  33   2.907  -7.512   7.478
  286    HZ2  TRP  33           HZ2      TRP  33   7.470  -7.070   5.546
  287    HZ3  TRP  33           HZ3      TRP  33   4.910  -7.931   8.886
  288    HH2  TRP  33           HH2      TRP  33   7.193  -7.739   7.899
  289    H    ALA  34           H        ALA  34   3.255  -8.581   2.558
  290    HA   ALA  34           HA       ALA  34   2.807 -10.994   4.114
  291   1HB   ALA  34          1HB       ALA  34   1.940 -10.911   1.472
  292   2HB   ALA  34          2HB       ALA  34   2.207 -12.353   2.456
  293   3HB   ALA  34          3HB       ALA  34   3.492 -11.748   1.408
  294    HA   PRO  35           HA       PRO  35   7.184 -10.988   3.357
  295   1HB   PRO  35          2HB       PRO  35   7.674 -13.198   5.089
  296   2HB   PRO  35          1HB       PRO  35   7.718 -11.482   5.515
  297   1HG   PRO  35          2HG       PRO  35   5.737 -13.455   6.260
  298   2HG   PRO  35          1HG       PRO  35   5.841 -11.762   6.760
  299   1HD   PRO  35          2HD       PRO  35   3.980 -12.931   4.912
  300   2HD   PRO  35          1HD       PRO  35   4.116 -11.230   5.391
  301    H    GLU  36           H        GLU  36   8.987 -13.013   3.193
  302    HA   GLU  36           HA       GLU  36   8.617 -14.174   0.717
  303   1HB   GLU  36          2HB       GLU  36  10.743 -14.146   2.109
  304   2HB   GLU  36          1HB       GLU  36  10.084 -15.518   3.000
  305   1HG   GLU  36          2HG       GLU  36  11.349 -16.575   1.338
  306   2HG   GLU  36          1HG       GLU  36   9.735 -16.562   0.625
  307    H    GLY  37           H        GLY  37   6.560 -15.101   0.389
  308   1HA   GLY  37          2HA       GLY  37   6.140 -17.641   1.820
  309   2HA   GLY  37          1HA       GLY  37   4.828 -16.464   1.769
  310    H    LYS  38           H        LYS  38   3.344 -17.159   0.303
  311    HA   LYS  38           HA       LYS  38   4.370 -18.351  -2.200
  312   1HB   LYS  38          2HB       LYS  38   1.958 -18.821  -0.515
  313   2HB   LYS  38          1HB       LYS  38   1.769 -18.990  -2.261
  314   1HG   LYS  38          2HG       LYS  38   4.209 -20.268  -1.575
  315   2HG   LYS  38          1HG       LYS  38   3.000 -20.815  -0.412
  316   1HD   LYS  38          2HD       LYS  38   1.741 -21.876  -2.009
  317   2HD   LYS  38          1HD       LYS  38   2.141 -20.694  -3.256
  318   1HE   LYS  38          2HE       LYS  38   4.432 -22.290  -2.299
  319   2HE   LYS  38          1HE       LYS  38   3.192 -23.217  -3.143
  320   1HZ   LYS  38          1HZ       LYS  38   4.990 -22.096  -4.496
  321   2HZ   LYS  38          2HZ       LYS  38   4.185 -20.734  -4.257
  322   3HZ   LYS  38          3HZ       LYS  38   3.482 -21.956  -5.015
  323    H    ASP  39           H        ASP  39   1.067 -17.273  -2.033
  324    HA   ASP  39           HA       ASP  39   1.789 -14.831  -3.521
  325   1HB   ASP  39          2HB       ASP  39  -0.300 -15.494  -4.973
  326   2HB   ASP  39          1HB       ASP  39   1.276 -16.197  -5.337
  327    H    ARG  40           H        ARG  40   0.628 -15.589  -0.778
  328    HA   ARG  40           HA       ARG  40  -1.901 -14.068  -1.041
  329   1HB   ARG  40          2HB       ARG  40  -2.566 -15.091   1.073
  330   2HB   ARG  40          1HB       ARG  40  -2.112 -16.350  -0.076
  331   1HG   ARG  40          2HG       ARG  40   0.297 -15.771   1.130
  332   2HG   ARG  40          1HG       ARG  40  -0.843 -15.597   2.466
  333   1HD   ARG  40          2HD       ARG  40  -0.472 -18.015   0.680
  334   2HD   ARG  40          1HD       ARG  40  -0.151 -17.907   2.410
  335    HE   ARG  40           HE       ARG  40  -2.796 -17.258   2.201
  336   1HH1  ARG  40          1HH2      ARG  40  -0.763 -19.831   1.108
  337   2HH1  ARG  40          2HH2      ARG  40  -2.017 -21.022   1.179
  338   1HH2  ARG  40          1HH1      ARG  40  -4.436 -18.806   2.295
  339   2HH2  ARG  40          2HH1      ARG  40  -4.092 -20.444   1.849
  340    H    PHE  41           H        PHE  41  -2.018 -13.362   1.765
  341    HA   PHE  41           HA       PHE  41   0.463 -11.852   2.089
  342   1HB   PHE  41          2HB       PHE  41  -1.436 -10.001   2.866
  343   2HB   PHE  41          1HB       PHE  41  -0.478  -9.952   1.389
  344    HD1  PHE  41           HD1      PHE  41  -3.744 -10.584   2.849
  345    HD2  PHE  41           HD2      PHE  41  -1.393 -10.860  -0.731
  346    HE1  PHE  41           HE1      PHE  41  -5.820 -10.877   1.501
  347    HE2  PHE  41           HE2      PHE  41  -3.452 -11.149  -2.077
  348    HZ   PHE  41           HZ       PHE  41  -5.664 -11.160  -0.965
  349    H    THR  42           H        THR  42   0.965 -11.256   4.132
  350    HA   THR  42           HA       THR  42   0.062 -12.901   6.242
  351    HB   THR  42           HB       THR  42   2.344 -11.665   5.817
  352    HG1  THR  42           HG1      THR  42   2.159 -12.888   7.604
  353   1HG2  THR  42          1HG2      THR  42   1.610  -9.611   7.751
  354   2HG2  THR  42          2HG2      THR  42   0.765  -9.404   6.226
  355   3HG2  THR  42          3HG2      THR  42   2.522  -9.465   6.246
  356    H    ILE  43           H        ILE  43  -0.762  -9.650   5.209
  357    HA   ILE  43           HA       ILE  43  -3.032  -9.702   7.098
  358    HB   ILE  43           HB       ILE  43  -2.507  -7.365   7.827
  359   1HG1  ILE  43          2HG1      ILE  43   0.278  -7.328   7.354
  360   2HG1  ILE  43          1HG1      ILE  43  -0.471  -7.714   5.805
  361   1HG2  ILE  43          1HG2      ILE  43  -0.683  -8.041   9.372
  362   2HG2  ILE  43          2HG2      ILE  43  -0.404  -9.479   8.390
  363   3HG2  ILE  43          3HG2      ILE  43  -1.931  -9.281   9.249
  364   1HD1  ILE  43          1HD1      ILE  43  -1.994  -5.762   6.088
  365   2HD1  ILE  43          2HD1      ILE  43  -0.296  -5.284   6.040
  366   3HD1  ILE  43          3HD1      ILE  43  -1.152  -5.352   7.582
  367    H    SER  44           H        SER  44  -4.353  -7.523   6.768
  368    HA   SER  44           HA       SER  44  -4.242  -6.342   4.182
  369   1HB   SER  44          2HB       SER  44  -6.692  -7.303   3.772
  370   2HB   SER  44          1HB       SER  44  -5.270  -8.169   3.197
  371    HG   SER  44           HG       SER  44  -6.308  -8.581   5.791
  372    H    HIS  45           H        HIS  45  -4.947  -4.292   4.711
  373    HA   HIS  45           HA       HIS  45  -6.928  -4.087   6.905
  374   1HB   HIS  45          2HB       HIS  45  -5.811  -1.550   6.168
  375   2HB   HIS  45          1HB       HIS  45  -5.724  -2.373   7.723
  376    HD1  HIS  45           HD1      HIS  45  -3.426  -3.063   8.423
  377    HD2  HIS  45           HD2      HIS  45  -3.707  -2.603   4.293
  378    HE1  HIS  45           HE1      HIS  45  -1.088  -3.401   7.508
  379    H    MET  46           H        MET  46  -8.927  -3.648   6.219
  380    HA   MET  46           HA       MET  46  -9.501  -2.939   3.534
  381   1HB   MET  46          2HB       MET  46 -10.970  -3.625   5.929
  382   2HB   MET  46          1HB       MET  46 -11.730  -2.275   5.092
  383   1HG   MET  46          2HG       MET  46 -12.683  -3.932   3.839
  384   2HG   MET  46          1HG       MET  46 -11.142  -3.882   2.982
  385   1HE   MET  46          1HE       MET  46 -13.551  -5.952   5.177
  386   2HE   MET  46          2HE       MET  46 -12.990  -7.458   4.455
  387   3HE   MET  46          3HE       MET  46 -13.424  -6.100   3.419
  388    H    TYR  47           H        TYR  47  -9.217  -1.030   2.691
  389    HA   TYR  47           HA       TYR  47  -8.397   1.301   3.798
  390   1HB   TYR  47          2HB       TYR  47 -10.258   0.807   1.473
  391   2HB   TYR  47          1HB       TYR  47  -9.771   2.439   1.914
  392    HD1  TYR  47           HD1      TYR  47  -6.923   1.026   2.972
  393    HD2  TYR  47           HD2      TYR  47  -9.097   1.302  -0.741
  394    HE1  TYR  47           HE1      TYR  47  -4.833   0.737   1.707
  395    HE2  TYR  47           HE2      TYR  47  -7.017   1.014  -1.968
  396    HH   TYR  47           HH       TYR  47  -3.882   0.920  -0.337
  397    H    ALA  48           H        ALA  48 -11.888   0.381   3.563
  398    HA   ALA  48           HA       ALA  48 -12.753   2.758   4.935
  399   1HB   ALA  48          1HB       ALA  48 -14.905   1.550   5.148
  400   2HB   ALA  48          2HB       ALA  48 -14.122   0.072   4.586
  401   3HB   ALA  48          3HB       ALA  48 -14.273   1.458   3.500
  402    H    ASP  49           H        ASP  49 -11.734  -0.378   5.807
  403    HA   ASP  49           HA       ASP  49 -12.415  -0.371   8.596
  404   1HB   ASP  49          2HB       ASP  49 -10.481  -1.984   6.932
  405   2HB   ASP  49          1HB       ASP  49 -10.631  -2.206   8.674
  406    H    ILE  50           H        ILE  50 -10.338   1.504   6.896
  407    HA   ILE  50           HA       ILE  50  -8.771   2.074   9.312
  408    HB   ILE  50           HB       ILE  50  -6.695   2.204   8.029
  409   1HG1  ILE  50          2HG1      ILE  50  -8.374   1.266   5.685
  410   2HG1  ILE  50          1HG1      ILE  50  -7.772   2.910   5.890
  411   1HG2  ILE  50          1HG2      ILE  50  -6.336  -0.029   8.192
  412   2HG2  ILE  50          2HG2      ILE  50  -7.600  -0.400   7.020
  413   3HG2  ILE  50          3HG2      ILE  50  -8.019  -0.120   8.710
  414   1HD1  ILE  50          1HD1      ILE  50  -5.461   1.552   6.218
  415   2HD1  ILE  50          2HD1      ILE  50  -6.027   2.099   4.640
  416   3HD1  ILE  50          3HD1      ILE  50  -6.305   0.433   5.147
  417    H    LYS  51           H        LYS  51  -8.363   4.454   9.515
  418    HA   LYS  51           HA       LYS  51  -8.984   5.912   7.055
  419   1HB   LYS  51          2HB       LYS  51 -11.133   5.832   8.189
  420   2HB   LYS  51          1HB       LYS  51 -10.396   6.467   9.659
  421   1HG   LYS  51          2HG       LYS  51 -11.523   8.215   8.156
  422   2HG   LYS  51          1HG       LYS  51  -9.857   8.542   8.635
  423   1HD   LYS  51          2HD       LYS  51  -9.042   7.639   6.492
  424   2HD   LYS  51          1HD       LYS  51 -10.709   7.334   5.989
  425   1HE   LYS  51          2HE       LYS  51 -10.149   9.430   5.016
  426   2HE   LYS  51          1HE       LYS  51 -11.117   9.836   6.433
  427   1HZ   LYS  51          1HZ       LYS  51  -8.876  10.976   6.055
  428   2HZ   LYS  51          2HZ       LYS  51  -8.248   9.649   6.690
  429   3HZ   LYS  51          3HZ       LYS  51  -9.278  10.531   7.539
  430    H    CYS  52           H        CYS  52  -7.149   6.862   6.835
  431    HA   CYS  52           HA       CYS  52  -6.525   9.248   7.958
  432   1HB   CYS  52          2HB       CYS  52  -5.953   7.796   9.995
  433   2HB   CYS  52          1HB       CYS  52  -4.576   7.239   9.051
  434    HG   CYS  52           HG       CYS  52  -4.775   9.927  10.414
  435    H    GLN  53           H        GLN  53  -5.166  10.148   6.396
  436    HA   GLN  53           HA       GLN  53  -3.428   8.223   5.006
  437   1HB   GLN  53          2HB       GLN  53  -5.244  10.100   3.491
  438   2HB   GLN  53          1HB       GLN  53  -4.265   8.782   2.844
  439   1HG   GLN  53          2HG       GLN  53  -5.627   7.230   4.360
  440   2HG   GLN  53          1HG       GLN  53  -6.729   8.589   4.577
  441   1HE2  GLN  53          1HE2      GLN  53  -8.224   6.905   3.424
  442   2HE2  GLN  53          2HE2      GLN  53  -8.246   6.952   1.728
  443    H    LYS  54           H        LYS  54  -1.519   9.001   4.747
  444    HA   LYS  54           HA       LYS  54  -1.125  11.914   4.497
  445   1HB   LYS  54          2HB       LYS  54  -0.169  11.670   6.574
  446   2HB   LYS  54          1HB       LYS  54   0.022   9.928   6.387
  447   1HG   LYS  54          2HG       LYS  54   2.111  10.119   5.452
  448   2HG   LYS  54          1HG       LYS  54   1.743  11.661   4.677
  449   1HD   LYS  54          2HD       LYS  54   1.571  12.156   7.443
  450   2HD   LYS  54          1HD       LYS  54   3.018  11.169   7.230
  451   1HE   LYS  54          2HE       LYS  54   4.135  12.861   6.238
  452   2HE   LYS  54          1HE       LYS  54   2.782  13.214   5.163
  453   1HZ   LYS  54          1HZ       LYS  54   3.203  15.025   6.644
  454   2HZ   LYS  54          2HZ       LYS  54   3.017  14.096   7.933
  455   3HZ   LYS  54          3HZ       LYS  54   1.769  14.398   6.978
  456    H    ILE  55           H        ILE  55  -0.024  12.379   2.611
  457    HA   ILE  55           HA       ILE  55   1.269  10.079   1.269
  458    HB   ILE  55           HB       ILE  55   0.524  12.693  -0.048
  459   1HG1  ILE  55          2HG1      ILE  55  -1.485  11.739   1.100
  460   2HG1  ILE  55          1HG1      ILE  55  -1.630  11.717  -0.658
  461   1HG2  ILE  55          1HG2      ILE  55   1.529  10.048  -0.844
  462   2HG2  ILE  55          2HG2      ILE  55   1.609  11.586  -1.704
  463   3HG2  ILE  55          3HG2      ILE  55   0.154  10.594  -1.805
  464   1HD1  ILE  55          1HD1      ILE  55  -2.077   9.541   0.923
  465   2HD1  ILE  55          2HD1      ILE  55  -0.374   9.314   0.523
  466   3HD1  ILE  55          3HD1      ILE  55  -1.572   9.441  -0.764
  467    H    SER  56           H        SER  56   3.349  10.165   1.958
  468    HA   SER  56           HA       SER  56   4.686  12.789   1.830
  469   1HB   SER  56          2HB       SER  56   4.506  10.928   3.916
  470   2HB   SER  56          1HB       SER  56   6.155  10.800   3.310
  471    HG   SER  56           HG       SER  56   6.011  12.451   4.845
  472    HA   PRO  57           HA       PRO  57   7.513  10.496  -0.613
  473   1HB   PRO  57          2HB       PRO  57   6.477   8.554  -2.388
  474   2HB   PRO  57          1HB       PRO  57   7.268   8.320  -0.831
  475   1HG   PRO  57          2HG       PRO  57   4.465   8.038  -1.474
  476   2HG   PRO  57          1HG       PRO  57   5.314   7.520  -0.033
  477   1HD   PRO  57          2HD       PRO  57   3.556   9.743  -0.254
  478   2HD   PRO  57          1HD       PRO  57   4.578   9.312   1.129
  479    H    GLU  58           H        GLU  58   6.832  12.778  -1.521
  480    HA   GLU  58           HA       GLU  58   6.400  12.517  -4.436
  481   1HB   GLU  58          2HB       GLU  58   6.056  14.826  -2.504
  482   2HB   GLU  58          1HB       GLU  58   6.086  15.055  -4.253
  483   1HG   GLU  58          2HG       GLU  58   3.868  14.625  -4.209
  484   2HG   GLU  58          1HG       GLU  58   4.313  12.943  -3.912
  485    H    GLY  59           H        GLY  59   8.435  13.863  -1.888
  486   1HA   GLY  59          2HA       GLY  59  10.735  13.770  -3.677
  487   2HA   GLY  59          1HA       GLY  59  10.388  15.318  -2.886
  488    H    LYS  60           H        LYS  60  10.090  11.934  -1.759
  489    HA   LYS  60           HA       LYS  60  11.605  12.797   0.630
  490   1HB   LYS  60          2HB       LYS  60   9.341  10.807   0.296
  491   2HB   LYS  60          1HB       LYS  60  10.308  10.936   1.773
  492   1HG   LYS  60          2HG       LYS  60   8.474  13.011   0.574
  493   2HG   LYS  60          1HG       LYS  60   8.470  12.352   2.207
  494   1HD   LYS  60          2HD       LYS  60  10.710  13.447   2.574
  495   2HD   LYS  60          1HD       LYS  60  10.506  14.247   1.015
  496   1HE   LYS  60          2HE       LYS  60   9.019  15.735   1.848
  497   2HE   LYS  60          1HE       LYS  60   8.150  14.489   2.744
  498   1HZ   LYS  60          1HZ       LYS  60  10.747  15.370   3.662
  499   2HZ   LYS  60          2HZ       LYS  60   9.546  14.736   4.509
  500   3HZ   LYS  60          3HZ       LYS  60   9.456  16.253   4.006
  501    H    ALA  61           H        ALA  61  12.186  10.671   1.895
  502    HA   ALA  61           HA       ALA  61  14.530   9.651   1.176
  503   1HB   ALA  61          1HB       ALA  61  12.206   8.252   2.474
  504   2HB   ALA  61          2HB       ALA  61  13.702   8.829   3.207
  505   3HB   ALA  61          3HB       ALA  61  13.718   7.390   2.188
  506    H    LYS  62           H        LYS  62  11.710   7.552   0.413
  507    HA   LYS  62           HA       LYS  62  12.452   7.429  -2.337
  508   1HB   LYS  62          2HB       LYS  62  12.847   4.726  -1.706
  509   2HB   LYS  62          1HB       LYS  62  14.047   5.857  -2.306
  510   1HG   LYS  62          2HG       LYS  62  14.738   6.450  -0.071
  511   2HG   LYS  62          1HG       LYS  62  13.331   5.655   0.645
  512   1HD   LYS  62          2HD       LYS  62  14.254   3.570   0.470
  513   2HD   LYS  62          1HD       LYS  62  15.111   3.954  -1.025
  514   1HE   LYS  62          2HE       LYS  62  15.888   4.990   1.717
  515   2HE   LYS  62          1HE       LYS  62  16.658   3.626   0.907
  516   1HZ   LYS  62          1HZ       LYS  62  17.451   6.115   0.634
  517   2HZ   LYS  62          2HZ       LYS  62  16.472   6.016  -0.628
  518   3HZ   LYS  62          3HZ       LYS  62  17.695   4.994  -0.484
  519    H    ILE  63           H        ILE  63   9.850   7.763  -1.041
  520    HA   ILE  63           HA       ILE  63   7.873   7.110  -1.653
  521    HB   ILE  63           HB       ILE  63   7.374   5.542  -3.190
  522   1HG1  ILE  63          2HG1      ILE  63   9.194   3.790  -1.716
  523   2HG1  ILE  63          1HG1      ILE  63   7.904   3.362  -2.829
  524   1HG2  ILE  63          1HG2      ILE  63  10.303   5.798  -3.827
  525   2HG2  ILE  63          2HG2      ILE  63   9.280   7.230  -3.726
  526   3HG2  ILE  63          3HG2      ILE  63   8.905   5.960  -4.890
  527   1HD1  ILE  63          1HD1      ILE  63  10.609   4.298  -3.836
  528   2HD1  ILE  63          2HD1      ILE  63   9.370   3.434  -4.718
  529   3HD1  ILE  63          3HD1      ILE  63  10.293   2.612  -3.471
  530    H    GLN  64           H        GLN  64   7.425   7.244   0.425
  531    HA   GLN  64           HA       GLN  64   6.786   4.674   1.773
  532   1HB   GLN  64          2HB       GLN  64   7.431   5.533   3.887
  533   2HB   GLN  64          1HB       GLN  64   8.735   5.976   2.793
  534   1HG   GLN  64          2HG       GLN  64   7.645   8.216   2.486
  535   2HG   GLN  64          1HG       GLN  64   6.491   7.767   3.743
  536   1HE2  GLN  64          1HE2      GLN  64   9.991   6.982   3.682
  537   2HE2  GLN  64          2HE2      GLN  64  10.369   7.857   5.087
  538    H    LEU  65           H        LEU  65   4.643   4.515   2.350
  539    HA   LEU  65           HA       LEU  65   3.140   7.062   2.359
  540   1HB   LEU  65          2HB       LEU  65   1.118   5.677   1.764
  541   2HB   LEU  65          1HB       LEU  65   2.342   5.788   0.510
  542    HG   LEU  65           HG       LEU  65   1.333   3.488   0.908
  543   1HD1  LEU  65          1HD1      LEU  65   3.154   3.008  -0.279
  544   2HD1  LEU  65          2HD1      LEU  65   3.978   2.672   1.244
  545   3HD1  LEU  65          3HD1      LEU  65   4.090   4.275   0.511
  546   1HD2  LEU  65          1HD2      LEU  65   1.507   3.767   3.462
  547   2HD2  LEU  65          2HD2      LEU  65   3.208   3.347   3.255
  548   3HD2  LEU  65          3HD2      LEU  65   1.952   2.207   2.778
  549    H    GLN  66           H        GLN  66   1.146   6.990   3.800
  550    HA   GLN  66           HA       GLN  66   1.469   5.154   6.071
  551   1HB   GLN  66          2HB       GLN  66   2.476   7.773   6.122
  552   2HB   GLN  66          1HB       GLN  66   0.964   7.838   7.029
  553   1HG   GLN  66          2HG       GLN  66   1.682   6.225   8.586
  554   2HG   GLN  66          1HG       GLN  66   2.947   5.622   7.514
  555   1HE2  GLN  66          1HE2      GLN  66   4.980   6.252   8.229
  556   2HE2  GLN  66          2HE2      GLN  66   5.338   7.731   8.982
  557    H    LEU  67           H        LEU  67  -0.447   4.520   6.838
  558    HA   LEU  67           HA       LEU  67  -2.849   6.186   6.370
  559   1HB   LEU  67          2HB       LEU  67  -2.306   3.988   4.817
  560   2HB   LEU  67          1HB       LEU  67  -3.201   3.253   6.147
  561    HG   LEU  67           HG       LEU  67  -4.235   5.751   4.820
  562   1HD1  LEU  67          1HD1      LEU  67  -4.027   3.055   3.667
  563   2HD1  LEU  67          2HD1      LEU  67  -4.409   4.586   2.879
  564   3HD1  LEU  67          3HD1      LEU  67  -5.678   3.676   3.701
  565   1HD2  LEU  67          1HD2      LEU  67  -5.068   4.003   6.914
  566   2HD2  LEU  67          2HD2      LEU  67  -6.192   3.796   5.572
  567   3HD2  LEU  67          3HD2      LEU  67  -5.931   5.396   6.262
  568    H    VAL  68           H        VAL  68  -4.472   5.777   8.028
  569    HA   VAL  68           HA       VAL  68  -3.402   4.095  10.195
  570    HB   VAL  68           HB       VAL  68  -4.967   6.568  10.846
  571   1HG1  VAL  68          1HG1      VAL  68  -3.105   4.690  12.289
  572   2HG1  VAL  68          2HG1      VAL  68  -4.809   4.999  12.646
  573   3HG1  VAL  68          3HG1      VAL  68  -3.600   6.239  12.963
  574   1HG2  VAL  68          1HG2      VAL  68  -2.670   6.817   9.523
  575   2HG2  VAL  68          2HG2      VAL  68  -2.015   6.433  11.115
  576   3HG2  VAL  68          3HG2      VAL  68  -3.043   7.849  10.904
  577    H    LEU  69           H        LEU  69  -4.929   3.330  11.650
  578    HA   LEU  69           HA       LEU  69  -7.287   2.402  10.250
  579   1HB   LEU  69          2HB       LEU  69  -6.120   1.726  12.963
  580   2HB   LEU  69          1HB       LEU  69  -7.327   0.781  12.118
  581    HG   LEU  69           HG       LEU  69  -4.513   0.498  11.973
  582   1HD1  LEU  69          1HD1      LEU  69  -5.201  -1.040   9.973
  583   2HD1  LEU  69          2HD1      LEU  69  -6.834  -0.677  10.543
  584   3HD1  LEU  69          3HD1      LEU  69  -5.672  -1.445  11.626
  585   1HD2  LEU  69          1HD2      LEU  69  -4.287   0.622   9.400
  586   2HD2  LEU  69          2HD2      LEU  69  -4.082   2.102  10.333
  587   3HD2  LEU  69          3HD2      LEU  69  -5.603   1.790   9.493
  588    H    HIS  70           H        HIS  70  -9.446   2.879  11.007
  589    HA   HIS  70           HA       HIS  70  -9.989   5.299  12.241
  590   1HB   HIS  70          2HB       HIS  70 -12.114   4.064  13.115
  591   2HB   HIS  70          1HB       HIS  70 -11.875   4.154  11.370
  592    HD1  HIS  70           HD1      HIS  70 -11.118   1.761  14.244
  593    HD2  HIS  70           HD2      HIS  70 -11.854   1.677  10.142
  594    HE1  HIS  70           HE1      HIS  70 -11.217  -0.682  13.584
  595    H    ALA  71           H        ALA  71  -9.074   2.249  13.476
  596    HA   ALA  71           HA       ALA  71  -9.366   2.835  16.285
  597   1HB   ALA  71          1HB       ALA  71  -7.366   0.817  15.419
  598   2HB   ALA  71          2HB       ALA  71  -9.028   0.518  14.907
  599   3HB   ALA  71          3HB       ALA  71  -8.649   0.683  16.622
  600    H    GLY  72           H        GLY  72  -6.684   1.952  17.044
  601   1HA   GLY  72          2HA       GLY  72  -5.240   4.447  16.427
  602   2HA   GLY  72          1HA       GLY  72  -5.071   3.527  17.924
  603    H    ASP  73           H        ASP  73  -5.015   2.644  14.545
  604    HA   ASP  73           HA       ASP  73  -2.309   1.519  14.998
  605   1HB   ASP  73          2HB       ASP  73  -4.734   0.223  13.802
  606   2HB   ASP  73          1HB       ASP  73  -3.130  -0.252  13.242
  607    H    THR  74           H        THR  74  -0.860   2.068  13.513
  608    HA   THR  74           HA       THR  74  -1.854   3.576  11.181
  609    HB   THR  74           HB       THR  74   1.023   3.613  11.952
  610    HG1  THR  74           HG1      THR  74   0.461   4.107  13.917
  611   1HG2  THR  74          1HG2      THR  74   0.919   5.294  10.468
  612   2HG2  THR  74          2HG2      THR  74  -0.114   6.180  11.589
  613   3HG2  THR  74          3HG2      THR  74  -0.834   5.134  10.367
  614    H    THR  75           H        THR  75  -0.545   3.287   9.159
  615    HA   THR  75           HA       THR  75   0.681   0.624   9.020
  616    HB   THR  75           HB       THR  75  -1.307   1.811   7.054
  617    HG1  THR  75           HG1      THR  75  -2.627   0.902   8.406
  618   1HG2  THR  75          1HG2      THR  75   0.207   0.556   5.763
  619   2HG2  THR  75          2HG2      THR  75  -1.074  -0.601   6.123
  620   3HG2  THR  75          3HG2      THR  75   0.435  -0.645   7.034
  621    H    ASN  76           H        ASN  76   2.807   1.288   8.577
  622    HA   ASN  76           HA       ASN  76   3.102   3.493   6.632
  623   1HB   ASN  76          2HB       ASN  76   5.132   2.423   8.615
  624   2HB   ASN  76          1HB       ASN  76   5.298   3.859   7.605
  625   1HD2  ASN  76          1HD2      ASN  76   5.610   4.800   9.959
  626   2HD2  ASN  76          2HD2      ASN  76   4.199   5.341  10.734
  627    H    PHE  77           H        PHE  77   4.244   3.030   4.740
  628    HA   PHE  77           HA       PHE  77   5.603   0.427   4.678
  629   1HB   PHE  77          2HB       PHE  77   3.042   0.935   3.507
  630   2HB   PHE  77          1HB       PHE  77   4.210   0.637   2.222
  631    HD1  PHE  77           HD1      PHE  77   6.115  -1.132   3.573
  632    HD2  PHE  77           HD2      PHE  77   1.834  -1.120   3.712
  633    HE1  PHE  77           HE1      PHE  77   6.146  -3.531   4.078
  634    HE2  PHE  77           HE2      PHE  77   1.855  -3.541   4.222
  635    HZ   PHE  77           HZ       PHE  77   4.039  -4.725   4.395
  636    H    HIS  78           H        HIS  78   7.116   0.211   3.078
  637    HA   HIS  78           HA       HIS  78   7.747   2.595   1.471
  638   1HB   HIS  78          2HB       HIS  78   9.000   2.666   3.692
  639   2HB   HIS  78          1HB       HIS  78   9.868   1.230   3.151
  640    HD1  HIS  78           HD1      HIS  78  11.048   1.511   0.709
  641    HD2  HIS  78           HD2      HIS  78  10.160   5.039   2.701
  642    HE1  HIS  78           HE1      HIS  78  12.283   3.365  -0.471
  643    H    PHE  79           H        PHE  79   9.087   2.227  -0.224
  644    HA   PHE  79           HA       PHE  79   9.633  -0.611  -0.963
  645   1HB   PHE  79          2HB       PHE  79   8.897   1.635  -2.836
  646   2HB   PHE  79          1HB       PHE  79   9.058  -0.061  -3.236
  647    HD1  PHE  79           HD1      PHE  79   7.037   2.379  -1.255
  648    HD2  PHE  79           HD2      PHE  79   7.165  -1.488  -3.129
  649    HE1  PHE  79           HE1      PHE  79   4.576   2.141  -0.942
  650    HE2  PHE  79           HE2      PHE  79   4.729  -1.712  -2.799
  651    HZ   PHE  79           HZ       PHE  79   3.447   0.068  -1.705
  652    H    SER  80           H        SER  80  12.009  -0.775  -1.809
  653    HA   SER  80           HA       SER  80  13.145   1.429  -2.974
  654   1HB   SER  80          2HB       SER  80  13.709   2.763  -1.294
  655   2HB   SER  80          1HB       SER  80  13.114   1.612  -0.112
  656    HG   SER  80           HG       SER  80  15.080   0.694   0.013
  657    H    ASN  81           H        ASN  81  15.122   0.882  -3.767
  658    HA   ASN  81           HA       ASN  81  16.544  -1.408  -2.682
  659   1HB   ASN  81          2HB       ASN  81  15.138  -1.444  -5.334
  660   2HB   ASN  81          1HB       ASN  81  16.629  -2.357  -5.115
  661   1HD2  ASN  81          1HD2      ASN  81  13.377  -1.918  -3.636
  662   2HD2  ASN  81          2HD2      ASN  81  13.287  -3.489  -3.002
  663    H    GLU  82           H        GLU  82  18.482  -1.758  -4.511
  664    HA   GLU  82           HA       GLU  82  20.071   0.518  -4.320
  665   1HB   GLU  82          2HB       GLU  82  20.758  -1.852  -5.036
  666   2HB   GLU  82          1HB       GLU  82  20.198  -1.408  -6.649
  667   1HG   GLU  82          2HG       GLU  82  21.853   0.702  -5.599
  668   2HG   GLU  82          1HG       GLU  82  22.716  -0.832  -5.486
  669    H    SER  83           H        SER  83  17.712  -0.445  -6.763
  670    HA   SER  83           HA       SER  83  17.585   2.331  -7.640
  671   1HB   SER  83          2HB       SER  83  17.899   0.258  -9.777
  672   2HB   SER  83          1HB       SER  83  18.172   1.996  -9.860
  673    HG   SER  83           HG       SER  83  20.108   1.746  -8.996
  674    H    THR  84           H        THR  84  15.783   0.087  -6.401
  675    HA   THR  84           HA       THR  84  13.745   0.149  -8.543
  676    HB   THR  84           HB       THR  84  13.460  -1.564  -6.107
  677    HG1  THR  84           HG1      THR  84  15.092  -2.182  -8.342
  678   1HG2  THR  84          1HG2      THR  84  12.496  -3.094  -7.839
  679   2HG2  THR  84          2HG2      THR  84  12.789  -1.841  -9.046
  680   3HG2  THR  84          3HG2      THR  84  11.660  -1.546  -7.723
  681    H    ALA  85           H        ALA  85  14.484   2.199  -6.205
  682    HA   ALA  85           HA       ALA  85  11.796   2.268  -5.002
  683   1HB   ALA  85          1HB       ALA  85  12.699   3.565  -3.314
  684   2HB   ALA  85          2HB       ALA  85  13.821   4.381  -4.403
  685   3HB   ALA  85          3HB       ALA  85  14.188   2.760  -3.811
  686    H    VAL  86           H        VAL  86  11.095   2.699  -7.280
  687    HA   VAL  86           HA       VAL  86  10.961   5.578  -7.700
  688    HB   VAL  86           HB       VAL  86  11.749   3.987 -10.104
  689   1HG1  VAL  86          1HG1      VAL  86  11.490   6.766  -9.262
  690   2HG1  VAL  86          2HG1      VAL  86  11.603   6.098 -10.890
  691   3HG1  VAL  86          3HG1      VAL  86  13.071   6.445  -9.976
  692   1HG2  VAL  86          1HG2      VAL  86  14.126   4.346  -9.603
  693   2HG2  VAL  86          2HG2      VAL  86  13.392   3.358  -8.340
  694   3HG2  VAL  86          3HG2      VAL  86  13.708   5.068  -8.050
  695    H    LYS  87           H        LYS  87  10.172   4.903 -10.586
  696    HA   LYS  87           HA       LYS  87   7.537   5.215 -10.622
  697   1HB   LYS  87          2HB       LYS  87   9.470   4.048 -12.400
  698   2HB   LYS  87          1HB       LYS  87   7.945   3.172 -12.525
  699   1HG   LYS  87          2HG       LYS  87   6.971   5.673 -12.499
  700   2HG   LYS  87          1HG       LYS  87   8.560   6.011 -13.188
  701   1HD   LYS  87          2HD       LYS  87   8.194   4.540 -15.024
  702   2HD   LYS  87          1HD       LYS  87   6.791   3.802 -14.249
  703   1HE   LYS  87          2HE       LYS  87   6.903   6.723 -15.034
  704   2HE   LYS  87          1HE       LYS  87   6.238   5.466 -16.077
  705   1HZ   LYS  87          1HZ       LYS  87   4.991   6.738 -13.990
  706   2HZ   LYS  87          2HZ       LYS  87   5.160   5.208 -13.552
  707   3HZ   LYS  87          3HZ       LYS  87   4.400   5.571 -14.913
  708    H    GLU  88           H        GLU  88   8.959   1.910 -10.417
  709    HA   GLU  88           HA       GLU  88   6.766   0.328 -10.356
  710   1HB   GLU  88          2HB       GLU  88   8.049  -0.720  -8.205
  711   2HB   GLU  88          1HB       GLU  88   8.640  -0.926  -9.842
  712   1HG   GLU  88          2HG       GLU  88   9.537   1.581  -8.607
  713   2HG   GLU  88          1HG       GLU  88  10.107   0.134  -7.779
  714    H    ARG  89           H        ARG  89   8.085   1.346  -7.329
  715    HA   ARG  89           HA       ARG  89   5.766   1.028  -5.797
  716   1HB   ARG  89          2HB       ARG  89   7.691   3.130  -4.974
  717   2HB   ARG  89          1HB       ARG  89   7.059   1.777  -4.053
  718   1HG   ARG  89          2HG       ARG  89   9.243   1.654  -6.164
  719   2HG   ARG  89          1HG       ARG  89   9.448   1.381  -4.458
  720   1HD   ARG  89          2HD       ARG  89   7.888  -0.570  -4.605
  721   2HD   ARG  89          1HD       ARG  89   7.834  -0.342  -6.350
  722    HE   ARG  89           HE       ARG  89  10.505  -0.499  -5.797
  723   1HH1  ARG  89          1HH2      ARG  89   7.692  -2.386  -5.109
  724   2HH1  ARG  89          2HH2      ARG  89   8.547  -3.892  -5.109
  725   1HH2  ARG  89          1HH1      ARG  89  11.625  -2.456  -5.799
  726   2HH2  ARG  89          2HH1      ARG  89  10.770  -3.932  -5.501
  727    H    ASP  90           H        ASP  90   7.185   3.761  -7.432
  728    HA   ASP  90           HA       ASP  90   5.631   5.897  -6.689
  729   1HB   ASP  90          2HB       ASP  90   7.341   5.508  -8.749
  730   2HB   ASP  90          1HB       ASP  90   5.815   5.500  -9.634
  731    H    ALA  91           H        ALA  91   4.720   3.633  -9.324
  732    HA   ALA  91           HA       ALA  91   2.059   4.512  -9.507
  733   1HB   ALA  91          1HB       ALA  91   2.288   3.151 -11.284
  734   2HB   ALA  91          2HB       ALA  91   2.079   1.791 -10.181
  735   3HB   ALA  91          3HB       ALA  91   3.699   2.369 -10.570
  736    H    VAL  92           H        VAL  92   3.592   2.070  -7.411
  737    HA   VAL  92           HA       VAL  92   1.291   0.789  -6.441
  738    HB   VAL  92           HB       VAL  92   3.798   1.631  -4.954
  739   1HG1  VAL  92          1HG1      VAL  92   1.229   0.626  -3.964
  740   2HG1  VAL  92          2HG1      VAL  92   2.575   1.336  -3.074
  741   3HG1  VAL  92          3HG1      VAL  92   2.596  -0.381  -3.491
  742   1HG2  VAL  92          1HG2      VAL  92   3.877  -1.005  -4.906
  743   2HG2  VAL  92          2HG2      VAL  92   4.413  -0.133  -6.347
  744   3HG2  VAL  92          3HG2      VAL  92   2.805  -0.859  -6.302
  745    H    LYS  93           H        LYS  93   2.898   3.525  -4.810
  746    HA   LYS  93           HA       LYS  93   0.782   4.270  -3.181
  747   1HB   LYS  93          2HB       LYS  93   2.766   5.437  -2.774
  748   2HB   LYS  93          1HB       LYS  93   3.021   5.793  -4.486
  749   1HG   LYS  93          2HG       LYS  93   1.669   7.636  -4.440
  750   2HG   LYS  93          1HG       LYS  93   0.534   6.901  -3.308
  751   1HD   LYS  93          2HD       LYS  93   1.454   8.179  -1.698
  752   2HD   LYS  93          1HD       LYS  93   2.909   7.193  -1.848
  753   1HE   LYS  93          2HE       LYS  93   3.204   9.733  -2.136
  754   2HE   LYS  93          1HE       LYS  93   3.905   8.708  -3.388
  755   1HZ   LYS  93          1HZ       LYS  93   2.343  10.687  -3.958
  756   2HZ   LYS  93          2HZ       LYS  93   1.199   9.587  -3.760
  757   3HZ   LYS  93          3HZ       LYS  93   2.348   9.357  -4.848
  758    H    ASP  94           H        ASP  94   1.557   5.296  -6.487
  759    HA   ASP  94           HA       ASP  94  -0.481   7.027  -7.065
  760   1HB   ASP  94          2HB       ASP  94   1.419   6.001  -8.567
  761   2HB   ASP  94          1HB       ASP  94   0.162   4.852  -9.028
  762    H    LEU  95           H        LEU  95  -0.745   3.602  -6.402
  763    HA   LEU  95           HA       LEU  95  -3.446   3.476  -7.498
  764   1HB   LEU  95          2HB       LEU  95  -2.260   1.495  -5.561
  765   2HB   LEU  95          1HB       LEU  95  -3.443   1.215  -6.836
  766    HG   LEU  95           HG       LEU  95  -0.470   1.622  -7.088
  767   1HD1  LEU  95          1HD1      LEU  95  -1.359  -0.336  -8.829
  768   2HD1  LEU  95          2HD1      LEU  95  -2.437  -0.516  -7.444
  769   3HD1  LEU  95          3HD1      LEU  95  -0.690  -0.624  -7.222
  770   1HD2  LEU  95          1HD2      LEU  95  -1.146   3.083  -8.790
  771   2HD2  LEU  95          2HD2      LEU  95  -2.641   2.198  -9.090
  772   3HD2  LEU  95          3HD2      LEU  95  -1.102   1.542  -9.646
  773    H    LEU  96           H        LEU  96  -1.810   3.380  -4.363
  774    HA   LEU  96           HA       LEU  96  -3.803   3.331  -2.534
  775   1HB   LEU  96          2HB       LEU  96  -1.506   5.309  -2.633
  776   2HB   LEU  96          1HB       LEU  96  -2.469   4.985  -1.201
  777    HG   LEU  96           HG       LEU  96  -0.398   3.291  -2.528
  778   1HD1  LEU  96          1HD1      LEU  96  -0.192   2.629  -0.034
  779   2HD1  LEU  96          2HD1      LEU  96  -1.292   3.975   0.264
  780   3HD1  LEU  96          3HD1      LEU  96   0.272   4.266  -0.500
  781   1HD2  LEU  96          1HD2      LEU  96  -2.943   2.235  -1.288
  782   2HD2  LEU  96          2HD2      LEU  96  -1.447   1.301  -1.238
  783   3HD2  LEU  96          3HD2      LEU  96  -2.164   1.736  -2.790
  784    H    GLN  97           H        GLN  97  -2.692   6.431  -3.848
  785    HA   GLN  97           HA       GLN  97  -4.990   7.865  -2.919
  786   1HB   GLN  97          2HB       GLN  97  -3.195   8.680  -5.216
  787   2HB   GLN  97          1HB       GLN  97  -4.204   9.731  -4.225
  788   1HG   GLN  97          2HG       GLN  97  -2.404  10.005  -2.899
  789   2HG   GLN  97          1HG       GLN  97  -2.687   8.348  -2.362
  790   1HE2  GLN  97          1HE2      GLN  97  -2.029   7.310  -5.163
  791   2HE2  GLN  97          2HE2      GLN  97  -0.335   7.364  -5.216
  792    H    GLN  98           H        GLN  98  -4.783   5.604  -5.329
  793    HA   GLN  98           HA       GLN  98  -6.708   6.854  -7.114
  794   1HB   GLN  98          2HB       GLN  98  -4.697   5.282  -7.705
  795   2HB   GLN  98          1HB       GLN  98  -5.813   3.992  -7.249
  796   1HG   GLN  98          2HG       GLN  98  -7.433   5.514  -8.824
  797   2HG   GLN  98          1HG       GLN  98  -5.873   5.792  -9.599
  798   1HE2  GLN  98          1HE2      GLN  98  -7.090   2.825  -7.959
  799   2HE2  GLN  98          2HE2      GLN  98  -6.924   1.826  -9.320
  800    H    LEU  99           H        LEU  99  -6.547   4.319  -4.624
  801    HA   LEU  99           HA       LEU  99  -9.378   3.654  -5.033
  802   1HB   LEU  99          2HB       LEU  99  -8.087   2.675  -2.579
  803   2HB   LEU  99          1HB       LEU  99  -8.940   1.768  -3.809
  804    HG   LEU  99           HG       LEU  99  -6.681   2.458  -5.167
  805   1HD1  LEU  99          1HD1      LEU  99  -5.299   3.337  -3.610
  806   2HD1  LEU  99          2HD1      LEU  99  -5.044   1.669  -3.122
  807   3HD1  LEU  99          3HD1      LEU  99  -6.218   2.679  -2.267
  808   1HD2  LEU  99          1HD2      LEU  99  -5.976   0.102  -3.839
  809   2HD2  LEU  99          2HD2      LEU  99  -6.900   0.208  -5.337
  810   3HD2  LEU  99          3HD2      LEU  99  -7.739   0.107  -3.790
  811    H    LEU 100           H        LEU 100  -7.343   5.591  -3.025
  812    HA   LEU 100           HA       LEU 100  -8.719   5.933  -0.726
  813   1HB   LEU 100          2HB       LEU 100  -6.832   7.263  -0.770
  814   2HB   LEU 100          1HB       LEU 100  -7.093   7.760  -2.438
  815    HG   LEU 100           HG       LEU 100  -8.880   9.278  -1.744
  816   1HD1  LEU 100          1HD1      LEU 100  -8.300   8.847   1.148
  817   2HD1  LEU 100          2HD1      LEU 100  -9.294   7.634   0.341
  818   3HD1  LEU 100          3HD1      LEU 100  -9.806   9.322   0.362
  819   1HD2  LEU 100          1HD2      LEU 100  -6.392   9.549  -0.025
  820   2HD2  LEU 100          2HD2      LEU 100  -7.526  10.852  -0.385
  821   3HD2  LEU 100          3HD2      LEU 100  -6.572  10.131  -1.681
  822    HA   PRO 101           HA       PRO 101 -11.756   8.694  -3.194
  823   1HB   PRO 101          2HB       PRO 101 -11.533   7.309  -5.818
  824   2HB   PRO 101          1HB       PRO 101 -11.757   9.035  -5.482
  825   1HG   PRO 101          2HG       PRO 101  -9.369   7.911  -6.249
  826   2HG   PRO 101          1HG       PRO 101  -9.487   9.397  -5.290
  827   1HD   PRO 101          2HD       PRO 101  -8.548   6.769  -4.465
  828   2HD   PRO 101          1HD       PRO 101  -8.446   8.306  -3.593
  829    H    LYS 102           H        LYS 102 -11.498   5.307  -3.038
  830    HA   LYS 102           HA       LYS 102 -14.215   4.751  -3.936
  831   1HB   LYS 102          2HB       LYS 102 -12.384   2.932  -2.380
  832   2HB   LYS 102          1HB       LYS 102 -13.742   2.478  -3.394
  833   1HG   LYS 102          2HG       LYS 102 -12.361   3.666  -5.287
  834   2HG   LYS 102          1HG       LYS 102 -11.011   3.425  -4.177
  835   1HD   LYS 102          2HD       LYS 102 -10.880   1.244  -4.677
  836   2HD   LYS 102          1HD       LYS 102 -12.602   1.019  -4.366
  837   1HE   LYS 102          2HE       LYS 102 -12.840   2.254  -6.706
  838   2HE   LYS 102          1HE       LYS 102 -11.206   1.633  -6.942
  839   1HZ   LYS 102          1HZ       LYS 102 -12.029  -0.372  -7.215
  840   2HZ   LYS 102          2HZ       LYS 102 -13.505   0.245  -7.247
  841   3HZ   LYS 102          3HZ       LYS 102 -12.903  -0.315  -5.874
  842    H    PHE 103           H        PHE 103 -12.442   4.740  -0.868
  843    HA   PHE 103           HA       PHE 103 -14.999   4.374   0.499
  844   1HB   PHE 103          2HB       PHE 103 -13.386   3.988   2.506
  845   2HB   PHE 103          1HB       PHE 103 -13.493   2.725   1.282
  846    HD1  PHE 103           HD1      PHE 103 -11.336   5.032   2.992
  847    HD2  PHE 103           HD2      PHE 103 -11.744   2.784  -0.651
  848    HE1  PHE 103           HE1      PHE 103  -8.909   5.290   2.552
  849    HE2  PHE 103           HE2      PHE 103  -9.330   3.057  -1.098
  850    HZ   PHE 103           HZ       PHE 103  -7.903   4.304   0.510
  851    H    LYS 104           H        LYS 104 -13.173   6.881  -0.520
  852    HA   LYS 104           HA       LYS 104 -14.274   8.659   1.466
  853   1HB   LYS 104          2HB       LYS 104 -11.259   8.442   1.161
  854   2HB   LYS 104          1HB       LYS 104 -12.111   9.657   2.109
  855   1HG   LYS 104          2HG       LYS 104 -12.217   6.669   2.615
  856   2HG   LYS 104          1HG       LYS 104 -11.242   7.818   3.526
  857   1HD   LYS 104          2HD       LYS 104 -14.186   8.311   3.249
  858   2HD   LYS 104          1HD       LYS 104 -13.620   7.117   4.410
  859   1HE   LYS 104          2HE       LYS 104 -11.984   9.459   4.636
  860   2HE   LYS 104          1HE       LYS 104 -13.676   9.949   4.700
  861   1HZ   LYS 104          1HZ       LYS 104 -12.868   9.341   6.855
  862   2HZ   LYS 104          2HZ       LYS 104 -12.456   7.879   6.354
  863   3HZ   LYS 104          3HZ       LYS 104 -13.998   8.302   6.401
  864    H    ARG 105           H        ARG 105 -15.262   9.762  -0.288
  865    HA   ARG 105           HA       ARG 105 -13.851  10.354  -2.691
  866   1HB   ARG 105          2HB       ARG 105 -16.482  10.903  -1.520
  867   2HB   ARG 105          1HB       ARG 105 -15.867  12.237  -2.497
  868   1HG   ARG 105          2HG       ARG 105 -16.088  11.074  -4.430
  869   2HG   ARG 105          1HG       ARG 105 -15.434   9.599  -3.716
  870   1HD   ARG 105          2HD       ARG 105 -17.726   9.508  -2.451
  871   2HD   ARG 105          1HD       ARG 105 -18.271  10.593  -3.730
  872    HE   ARG 105           HE       ARG 105 -17.028   8.562  -5.076
  873   1HH1  ARG 105          1HH2      ARG 105 -19.490   8.833  -2.665
  874   2HH1  ARG 105          2HH2      ARG 105 -20.335   7.416  -3.189
  875   1HH2  ARG 105          1HH1      ARG 105 -18.124   6.714  -5.763
  876   2HH2  ARG 105          2HH1      ARG 105 -19.565   6.218  -4.939
  877    H    LYS 106           H        LYS 106 -12.409  11.970  -3.051
  878    HA   LYS 106           HA       LYS 106 -11.961  13.905  -0.893
  879   1HB   LYS 106          2HB       LYS 106 -10.022  12.686  -1.834
  880   2HB   LYS 106          1HB       LYS 106 -10.383  13.358  -3.424
  881   1HG   LYS 106          2HG       LYS 106 -10.102  15.268  -1.145
  882   2HG   LYS 106          1HG       LYS 106  -8.632  14.533  -1.786
  883   1HD   LYS 106          2HD       LYS 106 -10.426  15.433  -3.907
  884   2HD   LYS 106          1HD       LYS 106  -9.936  16.753  -2.844
  885   1HE   LYS 106          2HE       LYS 106  -7.637  16.399  -3.273
  886   2HE   LYS 106          1HE       LYS 106  -7.921  14.788  -3.932
  887   1HZ   LYS 106          1HZ       LYS 106  -9.320  16.165  -5.592
  888   2HZ   LYS 106          2HZ       LYS 106  -7.744  15.993  -5.809
  889   3HZ   LYS 106          3HZ       LYS 106  -8.320  17.347  -5.181
  890    H    ALA 107           H        ALA 107 -12.388  13.915  -4.450
  891    HA   ALA 107           HA       ALA 107 -13.444  16.666  -4.151
  892   1HB   ALA 107          1HB       ALA 107 -11.565  16.994  -5.475
  893   2HB   ALA 107          2HB       ALA 107 -12.778  16.674  -6.714
  894   3HB   ALA 107          3HB       ALA 107 -11.675  15.393  -6.208
  895    H    ASN 108           H        ASN 108 -15.165  17.203  -5.740
  896    HA   ASN 108           HA       ASN 108 -17.217  15.302  -5.779
  897   1HB   ASN 108          2HB       ASN 108 -16.850  17.985  -6.622
  898   2HB   ASN 108          1HB       ASN 108 -17.475  17.097  -8.013
  899   1HD2  ASN 108          1HD2      ASN 108 -19.691  16.581  -7.998
  900   2HD2  ASN 108          2HD2      ASN 108 -20.711  16.791  -6.657
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -16.514 -11.109 -17.749
    2   2H    MET   1          2H        MET   1 -15.087 -11.149 -18.471
    3   3H    MET   1          3H        MET   1 -15.501  -9.879 -17.591
    4    HA   MET   1           HA       MET   1 -13.902 -11.419 -16.509
    5   1HB   MET   1          2HB       MET   1 -15.230 -11.374 -14.338
    6   2HB   MET   1          1HB       MET   1 -15.038  -9.812 -15.136
    7   1HG   MET   1          2HG       MET   1 -17.258  -9.846 -15.979
    8   2HG   MET   1          1HG       MET   1 -17.445 -11.566 -15.638
    9   1HE   MET   1          1HE       MET   1 -16.373  -8.328 -14.285
   10   2HE   MET   1          2HE       MET   1 -15.743  -9.079 -12.821
   11   3HE   MET   1          3HE       MET   1 -17.192  -8.080 -12.737
   12    H    ALA   2           H        ALA   2 -13.957 -13.403 -15.111
   13    HA   ALA   2           HA       ALA   2 -15.874 -15.378 -16.208
   14   1HB   ALA   2          1HB       ALA   2 -13.743 -15.969 -17.077
   15   2HB   ALA   2          2HB       ALA   2 -13.977 -17.033 -15.689
   16   3HB   ALA   2          3HB       ALA   2 -12.936 -15.616 -15.549
   17    H    THR   3           H        THR   3 -14.600 -13.850 -13.416
   18    HA   THR   3           HA       THR   3 -16.258 -15.606 -11.754
   19    HB   THR   3           HB       THR   3 -13.626 -14.930 -10.579
   20    HG1  THR   3           HG1      THR   3 -12.929 -16.999 -11.717
   21   1HG2  THR   3          1HG2      THR   3 -15.108 -17.561 -10.723
   22   2HG2  THR   3          2HG2      THR   3 -15.501 -16.309  -9.545
   23   3HG2  THR   3          3HG2      THR   3 -13.906 -17.062  -9.534
   24    H    SER   4           H        SER   4 -17.563 -14.210 -10.677
   25    HA   SER   4           HA       SER   4 -16.758 -11.438 -10.350
   26   1HB   SER   4          2HB       SER   4 -19.249 -12.934  -9.487
   27   2HB   SER   4          1HB       SER   4 -19.019 -11.193  -9.350
   28    HG   SER   4           HG       SER   4 -18.796 -12.652 -11.775
   29    H    SER   5           H        SER   5 -14.869 -12.446  -8.948
   30    HA   SER   5           HA       SER   5 -15.816 -12.779  -6.169
   31   1HB   SER   5          2HB       SER   5 -13.029 -13.303  -7.213
   32   2HB   SER   5          1HB       SER   5 -13.752 -13.878  -5.713
   33    HG   SER   5           HG       SER   5 -14.490 -14.580  -8.367
   34    H    GLU   6           H        GLU   6 -13.361 -12.030  -4.949
   35    HA   GLU   6           HA       GLU   6 -13.725  -9.240  -4.741
   36   1HB   GLU   6          2HB       GLU   6 -11.154  -9.497  -3.923
   37   2HB   GLU   6          1HB       GLU   6 -12.541  -9.849  -2.904
   38   1HG   GLU   6          2HG       GLU   6 -12.380 -12.198  -3.362
   39   2HG   GLU   6          1HG       GLU   6 -11.235 -11.915  -4.674
   40    H    GLU   7           H        GLU   7 -12.387  -7.528  -5.475
   41    HA   GLU   7           HA       GLU   7 -10.817  -8.235  -7.889
   42   1HB   GLU   7          2HB       GLU   7 -12.154  -5.566  -7.557
   43   2HB   GLU   7          1HB       GLU   7 -11.679  -6.395  -9.039
   44   1HG   GLU   7          2HG       GLU   7 -13.433  -8.157  -8.460
   45   2HG   GLU   7          1HG       GLU   7 -14.013  -7.037  -7.226
   46    H    VAL   8           H        VAL   8  -8.622  -7.951  -7.226
   47    HA   VAL   8           HA       VAL   8  -8.149  -5.756  -5.356
   48    HB   VAL   8           HB       VAL   8  -6.205  -6.898  -4.751
   49   1HG1  VAL   8          1HG1      VAL   8  -8.436  -8.346  -4.712
   50   2HG1  VAL   8          2HG1      VAL   8  -6.887  -9.061  -4.263
   51   3HG1  VAL   8          3HG1      VAL   8  -7.547  -9.327  -5.876
   52   1HG2  VAL   8          1HG2      VAL   8  -5.033  -8.506  -6.244
   53   2HG2  VAL   8          2HG2      VAL   8  -5.175  -6.914  -6.991
   54   3HG2  VAL   8          3HG2      VAL   8  -6.251  -8.221  -7.488
   55    H    LEU   9           H        LEU   9  -6.488  -4.188  -5.878
   56    HA   LEU   9           HA       LEU   9  -6.473  -3.697  -8.761
   57   1HB   LEU   9          2HB       LEU   9  -7.331  -1.888  -7.531
   58   2HB   LEU   9          1HB       LEU   9  -6.028  -1.959  -6.350
   59    HG   LEU   9           HG       LEU   9  -4.415  -1.263  -8.061
   60   1HD1  LEU   9          1HD1      LEU   9  -5.166  -0.648 -10.306
   61   2HD1  LEU   9          2HD1      LEU   9  -6.829  -1.060  -9.888
   62   3HD1  LEU   9          3HD1      LEU   9  -5.603  -2.325  -9.982
   63   1HD2  LEU   9          1HD2      LEU   9  -6.735   0.316  -7.219
   64   2HD2  LEU   9          2HD2      LEU   9  -6.001   0.930  -8.700
   65   3HD2  LEU   9          3HD2      LEU   9  -5.028   0.760  -7.239
   66    H    LEU  10           H        LEU  10  -3.957  -4.218  -6.167
   67    HA   LEU  10           HA       LEU  10  -2.110  -4.890  -8.216
   68   1HB   LEU  10          2HB       LEU  10  -2.297  -2.399  -8.589
   69   2HB   LEU  10          1HB       LEU  10  -1.576  -2.179  -6.994
   70    HG   LEU  10           HG       LEU  10   0.405  -3.448  -7.685
   71   1HD1  LEU  10          1HD1      LEU  10  -1.373  -4.260  -9.816
   72   2HD1  LEU  10          2HD1      LEU  10   0.190  -4.938  -9.362
   73   3HD1  LEU  10          3HD1      LEU  10   0.110  -3.584 -10.489
   74   1HD2  LEU  10          1HD2      LEU  10   0.279  -0.994  -8.140
   75   2HD2  LEU  10          2HD2      LEU  10  -0.312  -1.357  -9.760
   76   3HD2  LEU  10          3HD2      LEU  10   1.313  -1.847  -9.284
   77    H    ILE  11           H        ILE  11   0.092  -5.246  -7.367
   78    HA   ILE  11           HA       ILE  11   0.234  -5.321  -4.426
   79    HB   ILE  11           HB       ILE  11  -0.462  -7.513  -4.835
   80   1HG1  ILE  11          2HG1      ILE  11   1.941  -7.247  -3.789
   81   2HG1  ILE  11          1HG1      ILE  11   1.347  -8.846  -4.208
   82   1HG2  ILE  11          1HG2      ILE  11  -0.520  -7.427  -7.251
   83   2HG2  ILE  11          2HG2      ILE  11   0.401  -8.853  -6.772
   84   3HG2  ILE  11          3HG2      ILE  11   1.242  -7.404  -7.329
   85   1HD1  ILE  11          1HD1      ILE  11   2.682  -7.481  -6.442
   86   2HD1  ILE  11          2HD1      ILE  11   2.901  -9.120  -5.834
   87   3HD1  ILE  11          3HD1      ILE  11   3.740  -7.775  -5.063
   88    H    VAL  12           H        VAL  12   2.312  -5.020  -3.647
   89    HA   VAL  12           HA       VAL  12   4.387  -4.601  -5.699
   90    HB   VAL  12           HB       VAL  12   5.139  -3.748  -3.023
   91   1HG1  VAL  12          1HG1      VAL  12   6.053  -1.991  -4.214
   92   2HG1  VAL  12          2HG1      VAL  12   4.673  -1.873  -5.298
   93   3HG1  VAL  12          3HG1      VAL  12   5.867  -3.147  -5.529
   94   1HG2  VAL  12          1HG2      VAL  12   2.988  -3.104  -2.450
   95   2HG2  VAL  12          2HG2      VAL  12   2.490  -2.889  -4.123
   96   3HG2  VAL  12          3HG2      VAL  12   3.503  -1.679  -3.340
   97    H    LYS  13           H        LYS  13   6.155  -5.897  -5.618
   98    HA   LYS  13           HA       LYS  13   5.839  -8.291  -4.060
   99   1HB   LYS  13          2HB       LYS  13   6.276  -8.624  -6.332
  100   2HB   LYS  13          1HB       LYS  13   7.552  -7.425  -6.360
  101   1HG   LYS  13          2HG       LYS  13   8.228  -9.923  -6.419
  102   2HG   LYS  13          1HG       LYS  13   9.092  -8.857  -5.312
  103   1HD   LYS  13          2HD       LYS  13   8.310  -9.926  -3.507
  104   2HD   LYS  13          1HD       LYS  13   6.667  -9.999  -4.137
  105   1HE   LYS  13          2HE       LYS  13   8.394 -11.736  -5.671
  106   2HE   LYS  13          1HE       LYS  13   8.518 -12.126  -3.955
  107   1HZ   LYS  13          1HZ       LYS  13   6.687 -13.279  -4.532
  108   2HZ   LYS  13          2HZ       LYS  13   6.218 -12.264  -5.676
  109   3HZ   LYS  13          3HZ       LYS  13   5.967 -11.905  -4.138
  110    H    LYS  14           H        LYS  14   8.242  -5.720  -3.883
  111    HA   LYS  14           HA       LYS  14   9.114  -7.233  -1.541
  112   1HB   LYS  14          2HB       LYS  14  10.776  -6.859  -3.830
  113   2HB   LYS  14          1HB       LYS  14  11.416  -5.864  -2.521
  114   1HG   LYS  14          2HG       LYS  14  12.286  -8.251  -2.578
  115   2HG   LYS  14          1HG       LYS  14  11.580  -7.744  -1.043
  116   1HD   LYS  14          2HD       LYS  14   9.611  -8.978  -1.394
  117   2HD   LYS  14          1HD       LYS  14   9.886  -9.084  -3.134
  118   1HE   LYS  14          2HE       LYS  14  10.393 -11.247  -2.175
  119   2HE   LYS  14          1HE       LYS  14  11.915 -10.497  -2.658
  120   1HZ   LYS  14          1HZ       LYS  14  11.254 -11.376  -0.175
  121   2HZ   LYS  14          2HZ       LYS  14  11.237  -9.780  -0.053
  122   3HZ   LYS  14          3HZ       LYS  14  12.553 -10.528  -0.572
  123    H    VAL  15           H        VAL  15   8.029  -5.742  -0.244
  124    HA   VAL  15           HA       VAL  15   8.897  -2.972  -0.506
  125    HB   VAL  15           HB       VAL  15   6.656  -4.182   1.132
  126   1HG1  VAL  15          1HG1      VAL  15   7.314  -1.880   1.811
  127   2HG1  VAL  15          2HG1      VAL  15   5.718  -1.928   1.060
  128   3HG1  VAL  15          3HG1      VAL  15   7.104  -1.360   0.138
  129   1HG2  VAL  15          1HG2      VAL  15   7.045  -3.576  -1.709
  130   2HG2  VAL  15          2HG2      VAL  15   5.568  -2.911  -1.007
  131   3HG2  VAL  15          3HG2      VAL  15   5.878  -4.643  -0.933
  132    H    ARG  16           H        ARG  16   9.193  -1.685   1.336
  133    HA   ARG  16           HA       ARG  16  10.530  -3.048   3.598
  134   1HB   ARG  16          2HB       ARG  16  12.153  -1.921   2.093
  135   2HB   ARG  16          1HB       ARG  16  11.169  -0.482   2.099
  136   1HG   ARG  16          2HG       ARG  16  12.538   0.186   3.762
  137   2HG   ARG  16          1HG       ARG  16  11.496  -0.818   4.760
  138   1HD   ARG  16          2HD       ARG  16  14.307  -1.170   4.035
  139   2HD   ARG  16          1HD       ARG  16  13.390  -1.947   5.327
  140    HE   ARG  16           HE       ARG  16  12.524  -3.319   3.175
  141   1HH1  ARG  16          1HH2      ARG  16  15.644  -2.354   4.351
  142   2HH1  ARG  16          2HH2      ARG  16  16.460  -3.710   3.653
  143   1HH2  ARG  16          1HH1      ARG  16  13.598  -5.085   2.274
  144   2HH2  ARG  16          2HH1      ARG  16  15.309  -5.250   2.484
  145    H    GLN  17           H        GLN  17   9.422  -2.559   5.429
  146    HA   GLN  17           HA       GLN  17   8.192   0.109   5.471
  147   1HB   GLN  17          2HB       GLN  17   6.323  -0.914   6.839
  148   2HB   GLN  17          1HB       GLN  17   6.355  -1.395   5.153
  149   1HG   GLN  17          2HG       GLN  17   7.288  -3.509   5.652
  150   2HG   GLN  17          1HG       GLN  17   7.615  -3.039   7.316
  151   1HE2  GLN  17          1HE2      GLN  17   6.216  -4.977   7.870
  152   2HE2  GLN  17          2HE2      GLN  17   4.530  -4.789   7.864
  153    H    LYS  18           H        LYS  18   8.481   1.172   7.342
  154    HA   LYS  18           HA       LYS  18  10.712   1.062   8.737
  155   1HB   LYS  18          2HB       LYS  18   8.252   2.316   9.185
  156   2HB   LYS  18          1HB       LYS  18   8.658   1.547  10.720
  157   1HG   LYS  18          2HG       LYS  18   9.656   3.754  10.704
  158   2HG   LYS  18          1HG       LYS  18  10.952   2.568  10.542
  159   1HD   LYS  18          2HD       LYS  18  10.693   2.875   8.004
  160   2HD   LYS  18          1HD       LYS  18   9.737   4.306   8.391
  161   1HE   LYS  18          2HE       LYS  18  12.046   4.465  10.006
  162   2HE   LYS  18          1HE       LYS  18  12.610   3.989   8.404
  163   1HZ   LYS  18          1HZ       LYS  18  11.623   5.855   7.489
  164   2HZ   LYS  18          2HZ       LYS  18  12.320   6.416   8.815
  165   3HZ   LYS  18          3HZ       LYS  18  10.737   6.179   8.783
  166    H    LYS  19           H        LYS  19   8.226  -1.376   9.210
  167    HA   LYS  19           HA       LYS  19   9.591  -2.297  11.624
  168   1HB   LYS  19          2HB       LYS  19   7.745  -3.773  11.926
  169   2HB   LYS  19          1HB       LYS  19   7.036  -2.274  11.342
  170   1HG   LYS  19          2HG       LYS  19   6.952  -3.228   9.029
  171   2HG   LYS  19          1HG       LYS  19   7.627  -4.735   9.641
  172   1HD   LYS  19          2HD       LYS  19   4.909  -3.561  10.098
  173   2HD   LYS  19          1HD       LYS  19   5.355  -5.199   9.615
  174   1HE   LYS  19          2HE       LYS  19   4.811  -5.570  11.839
  175   2HE   LYS  19          1HE       LYS  19   6.531  -5.217  12.000
  176   1HZ   LYS  19          1HZ       LYS  19   5.847  -3.641  13.363
  177   2HZ   LYS  19          2HZ       LYS  19   4.319  -3.710  12.892
  178   3HZ   LYS  19          3HZ       LYS  19   5.367  -2.816  12.077
  179    H    GLN  20           H        GLN  20   8.691  -3.603   8.475
  180    HA   GLN  20           HA       GLN  20  11.090  -5.235   8.364
  181   1HB   GLN  20          2HB       GLN  20   8.464  -6.251   9.074
  182   2HB   GLN  20          1HB       GLN  20   9.093  -7.014   7.612
  183   1HG   GLN  20          2HG       GLN  20  11.263  -6.781   9.410
  184   2HG   GLN  20          1HG       GLN  20   9.907  -7.432  10.334
  185   1HE2  GLN  20          1HE2      GLN  20  12.501  -8.584   8.817
  186   2HE2  GLN  20          2HE2      GLN  20  11.876  -9.990   8.100
  187    H    ASP  21           H        ASP  21  11.127  -6.466   6.235
  188    HA   ASP  21           HA       ASP  21   9.921  -4.724   4.164
  189   1HB   ASP  21          2HB       ASP  21  11.908  -6.751   3.318
  190   2HB   ASP  21          1HB       ASP  21  11.836  -5.037   2.888
  191    H    GLY  22           H        GLY  22   8.487  -5.798   2.826
  192   1HA   GLY  22          2HA       GLY  22   8.209  -8.653   2.859
  193   2HA   GLY  22          1HA       GLY  22   6.950  -7.825   3.766
  194    H    ALA  23           H        ALA  23   6.260  -9.209   1.359
  195    HA   ALA  23           HA       ALA  23   6.163  -7.222  -0.741
  196   1HB   ALA  23          1HB       ALA  23   5.615  -9.004  -2.027
  197   2HB   ALA  23          2HB       ALA  23   4.304  -9.471  -0.943
  198   3HB   ALA  23          3HB       ALA  23   5.953 -10.000  -0.611
  199    H    LEU  24           H        LEU  24   4.535  -5.973  -1.152
  200    HA   LEU  24           HA       LEU  24   2.370  -5.827   0.854
  201   1HB   LEU  24          2HB       LEU  24   4.102  -3.907  -0.429
  202   2HB   LEU  24          1HB       LEU  24   2.435  -3.510  -0.807
  203    HG   LEU  24           HG       LEU  24   3.766  -3.694   1.869
  204   1HD1  LEU  24          1HD1      LEU  24   2.535  -1.673   0.086
  205   2HD1  LEU  24          2HD1      LEU  24   3.827  -1.484   1.264
  206   3HD1  LEU  24          3HD1      LEU  24   2.144  -1.494   1.792
  207   1HD2  LEU  24          1HD2      LEU  24   1.316  -3.201   2.665
  208   2HD2  LEU  24          2HD2      LEU  24   1.801  -4.873   2.378
  209   3HD2  LEU  24          3HD2      LEU  24   0.855  -4.009   1.166
  210    H    TYR  25           H        TYR  25   0.261  -6.038   0.235
  211    HA   TYR  25           HA       TYR  25  -0.277  -6.323  -2.661
  212   1HB   TYR  25          2HB       TYR  25  -1.218  -7.797  -0.229
  213   2HB   TYR  25          1HB       TYR  25  -2.362  -7.573  -1.550
  214    HD1  TYR  25           HD1      TYR  25   0.780  -9.164  -0.501
  215    HD2  TYR  25           HD2      TYR  25  -1.979  -8.587  -3.740
  216    HE1  TYR  25           HE1      TYR  25   1.832 -11.044  -1.728
  217    HE2  TYR  25           HE2      TYR  25  -0.928 -10.468  -4.970
  218    HH   TYR  25           HH       TYR  25   1.712 -11.557  -4.757
  219    H    LEU  26           H        LEU  26  -1.944  -4.934  -3.450
  220    HA   LEU  26           HA       LEU  26  -3.297  -3.358  -1.365
  221   1HB   LEU  26          2HB       LEU  26  -2.104  -1.713  -2.456
  222   2HB   LEU  26          1HB       LEU  26  -1.941  -2.665  -3.926
  223    HG   LEU  26           HG       LEU  26  -4.661  -1.654  -3.184
  224   1HD1  LEU  26          1HD1      LEU  26  -4.140   0.452  -4.430
  225   2HD1  LEU  26          2HD1      LEU  26  -2.439  -0.013  -4.443
  226   3HD1  LEU  26          3HD1      LEU  26  -3.248   0.325  -2.914
  227   1HD2  LEU  26          1HD2      LEU  26  -4.358  -1.311  -5.836
  228   2HD2  LEU  26          2HD2      LEU  26  -4.809  -2.867  -5.137
  229   3HD2  LEU  26          3HD2      LEU  26  -3.131  -2.550  -5.577
  230    H    MET  27           H        MET  27  -5.577  -3.276  -1.588
  231    HA   MET  27           HA       MET  27  -6.708  -4.572  -3.966
  232   1HB   MET  27          2HB       MET  27  -6.737  -6.355  -2.363
  233   2HB   MET  27          1HB       MET  27  -7.242  -5.269  -1.069
  234   1HG   MET  27          2HG       MET  27  -9.426  -5.254  -1.742
  235   2HG   MET  27          1HG       MET  27  -9.007  -5.354  -3.450
  236   1HE   MET  27          1HE       MET  27 -11.430  -8.176  -2.455
  237   2HE   MET  27          2HE       MET  27 -10.919  -7.584  -4.033
  238   3HE   MET  27          3HE       MET  27 -11.243  -6.439  -2.734
  239    H    ALA  28           H        ALA  28  -8.834  -3.773  -4.415
  240    HA   ALA  28           HA       ALA  28  -9.369  -1.150  -4.171
  241   1HB   ALA  28          1HB       ALA  28 -11.904  -2.180  -3.861
  242   2HB   ALA  28          2HB       ALA  28 -11.025  -3.582  -4.483
  243   3HB   ALA  28          3HB       ALA  28 -11.051  -2.071  -5.401
  244    H    GLU  29           H        GLU  29 -10.774  -3.499  -1.909
  245    HA   GLU  29           HA       GLU  29 -11.469  -1.359  -0.123
  246   1HB   GLU  29          2HB       GLU  29 -12.880  -3.373  -0.544
  247   2HB   GLU  29          1HB       GLU  29 -11.697  -4.325   0.350
  248   1HG   GLU  29          2HG       GLU  29 -12.932  -3.808   2.176
  249   2HG   GLU  29          1HG       GLU  29 -12.171  -2.222   2.072
  250    H    ARG  30           H        ARG  30  -8.543  -3.305  -0.224
  251    HA   ARG  30           HA       ARG  30  -7.823  -1.993   2.243
  252   1HB   ARG  30          2HB       ARG  30  -7.809  -3.739   3.728
  253   2HB   ARG  30          1HB       ARG  30  -9.240  -4.125   2.795
  254   1HG   ARG  30          2HG       ARG  30  -7.075  -5.323   1.430
  255   2HG   ARG  30          1HG       ARG  30  -6.823  -5.653   3.146
  256   1HD   ARG  30          2HD       ARG  30  -8.225  -7.418   2.394
  257   2HD   ARG  30          1HD       ARG  30  -9.313  -6.296   3.203
  258    HE   ARG  30           HE       ARG  30  -9.206  -5.505   0.529
  259   1HH1  ARG  30          1HH2      ARG  30  -9.997  -8.325   2.373
  260   2HH1  ARG  30          2HH2      ARG  30 -11.194  -8.881   1.253
  261   1HH2  ARG  30          1HH1      ARG  30 -10.785  -6.221  -0.926
  262   2HH2  ARG  30          2HH1      ARG  30 -11.638  -7.694  -0.610
  263    H    ILE  31           H        ILE  31  -5.689  -2.623   3.034
  264    HA   ILE  31           HA       ILE  31  -3.909  -3.344   0.778
  265    HB   ILE  31           HB       ILE  31  -3.709  -1.403   3.066
  266   1HG1  ILE  31          2HG1      ILE  31  -4.244  -0.949   0.552
  267   2HG1  ILE  31          1HG1      ILE  31  -3.099   0.105   1.380
  268   1HG2  ILE  31          1HG2      ILE  31  -1.124  -1.496   2.103
  269   2HG2  ILE  31          2HG2      ILE  31  -1.550  -3.206   2.171
  270   3HG2  ILE  31          3HG2      ILE  31  -1.656  -2.212   3.623
  271   1HD1  ILE  31          1HD1      ILE  31  -2.247  -2.325  -0.214
  272   2HD1  ILE  31          2HD1      ILE  31  -1.223  -1.026   0.397
  273   3HD1  ILE  31          3HD1      ILE  31  -2.361  -0.709  -0.911
  274    H    ALA  32           H        ALA  32  -2.687  -5.204   1.066
  275    HA   ALA  32           HA       ALA  32  -2.707  -6.381   3.789
  276   1HB   ALA  32          1HB       ALA  32  -2.249  -8.399   1.860
  277   2HB   ALA  32          2HB       ALA  32  -3.609  -7.440   1.276
  278   3HB   ALA  32          3HB       ALA  32  -3.676  -8.184   2.874
  279    H    TRP  33           H        TRP  33  -0.819  -7.399   4.504
  280    HA   TRP  33           HA       TRP  33   1.547  -6.927   2.789
  281   1HB   TRP  33          2HB       TRP  33   1.399  -5.339   4.688
  282   2HB   TRP  33          1HB       TRP  33   1.372  -6.705   5.790
  283    HD1  TRP  33           HD1      TRP  33   3.563  -5.966   2.711
  284    HE1  TRP  33           HE1      TRP  33   6.006  -6.167   3.480
  285    HE3  TRP  33           HE3      TRP  33   2.983  -7.177   7.634
  286    HZ2  TRP  33           HZ2      TRP  33   7.525  -6.747   5.688
  287    HZ3  TRP  33           HZ3      TRP  33   4.970  -7.625   9.016
  288    HH2  TRP  33           HH2      TRP  33   7.252  -7.428   8.053
  289    H    ALA  34           H        ALA  34   2.898  -8.683   2.633
  290    HA   ALA  34           HA       ALA  34   2.654 -10.851   4.542
  291   1HB   ALA  34          1HB       ALA  34   0.915 -11.532   3.124
  292   2HB   ALA  34          2HB       ALA  34   2.306 -12.491   2.621
  293   3HB   ALA  34          3HB       ALA  34   1.812 -11.088   1.671
  294    HA   PRO  35           HA       PRO  35   6.691 -11.545   2.861
  295   1HB   PRO  35          2HB       PRO  35   7.129 -13.930   4.381
  296   2HB   PRO  35          1HB       PRO  35   7.598 -12.280   4.814
  297   1HG   PRO  35          2HG       PRO  35   5.502 -13.891   5.974
  298   2HG   PRO  35          1HG       PRO  35   6.010 -12.262   6.437
  299   1HD   PRO  35          2HD       PRO  35   3.612 -13.026   5.047
  300   2HD   PRO  35          1HD       PRO  35   4.138 -11.394   5.498
  301    H    GLU  36           H        GLU  36   7.944 -14.148   2.592
  302    HA   GLU  36           HA       GLU  36   6.141 -15.419   0.616
  303   1HB   GLU  36          2HB       GLU  36   8.127 -15.805  -0.805
  304   2HB   GLU  36          1HB       GLU  36   7.841 -14.083  -0.547
  305   1HG   GLU  36          2HG       GLU  36   9.466 -14.886   1.601
  306   2HG   GLU  36          1HG       GLU  36  10.152 -15.676   0.180
  307    H    GLY  37           H        GLY  37   5.659 -17.003   2.317
  308   1HA   GLY  37          2HA       GLY  37   7.540 -19.202   2.265
  309   2HA   GLY  37          1HA       GLY  37   7.334 -18.483   3.864
  310    H    LYS  38           H        LYS  38   6.183 -20.190   4.826
  311    HA   LYS  38           HA       LYS  38   3.779 -21.188   3.480
  312   1HB   LYS  38          2HB       LYS  38   3.625 -22.564   5.644
  313   2HB   LYS  38          1HB       LYS  38   5.012 -22.895   4.604
  314   1HG   LYS  38          2HG       LYS  38   6.510 -21.984   6.079
  315   2HG   LYS  38          1HG       LYS  38   5.373 -20.754   6.633
  316   1HD   LYS  38          2HD       LYS  38   5.769 -22.336   8.444
  317   2HD   LYS  38          1HD       LYS  38   4.116 -22.533   7.860
  318   1HE   LYS  38          2HE       LYS  38   5.213 -24.725   8.167
  319   2HE   LYS  38          1HE       LYS  38   4.827 -24.440   6.470
  320   1HZ   LYS  38          1HZ       LYS  38   7.340 -23.430   7.039
  321   2HZ   LYS  38          2HZ       LYS  38   6.953 -24.599   6.017
  322   3HZ   LYS  38          3HZ       LYS  38   7.289 -24.949   7.542
  323    H    ASP  39           H        ASP  39   3.727 -18.463   4.052
  324    HA   ASP  39           HA       ASP  39   1.321 -18.237   5.535
  325   1HB   ASP  39          2HB       ASP  39   3.905 -17.573   6.846
  326   2HB   ASP  39          1HB       ASP  39   2.687 -16.299   6.910
  327    H    ARG  40           H        ARG  40   0.268 -16.379   4.379
  328    HA   ARG  40           HA       ARG  40   2.242 -14.773   2.920
  329   1HB   ARG  40          2HB       ARG  40   0.007 -14.457   1.441
  330   2HB   ARG  40          1HB       ARG  40   1.196 -15.718   1.125
  331   1HG   ARG  40          2HG       ARG  40  -0.146 -17.205   2.714
  332   2HG   ARG  40          1HG       ARG  40  -1.411 -15.979   2.638
  333   1HD   ARG  40          2HD       ARG  40  -2.005 -17.501   0.934
  334   2HD   ARG  40          1HD       ARG  40  -1.187 -16.201   0.067
  335    HE   ARG  40           HE       ARG  40   0.825 -17.952   0.658
  336   1HH1  ARG  40          1HH2      ARG  40  -2.292 -18.138  -0.824
  337   2HH1  ARG  40          2HH2      ARG  40  -1.851 -19.435  -1.882
  338   1HH2  ARG  40          1HH1      ARG  40   1.406 -19.642  -0.717
  339   2HH2  ARG  40          2HH1      ARG  40   0.239 -20.286  -1.823
  340    H    PHE  41           H        PHE  41  -1.077 -14.023   2.822
  341    HA   PHE  41           HA       PHE  41  -0.911 -11.412   3.473
  342   1HB   PHE  41          2HB       PHE  41  -3.104 -13.401   4.013
  343   2HB   PHE  41          1HB       PHE  41  -3.296 -11.677   4.364
  344    HD1  PHE  41           HD1      PHE  41  -4.113 -13.946   1.964
  345    HD2  PHE  41           HD2      PHE  41  -1.950 -10.255   2.363
  346    HE1  PHE  41           HE1      PHE  41  -4.436 -13.501  -0.454
  347    HE2  PHE  41           HE2      PHE  41  -2.280  -9.804  -0.061
  348    HZ   PHE  41           HZ       PHE  41  -3.517 -11.433  -1.464
  349    H    THR  42           H        THR  42   0.537 -10.914   5.056
  350    HA   THR  42           HA       THR  42   0.180 -11.982   7.741
  351    HB   THR  42           HB       THR  42   2.402 -11.223   6.341
  352    HG1  THR  42           HG1      THR  42   3.065 -12.075   8.118
  353   1HG2  THR  42          1HG2      THR  42   1.340  -8.763   6.809
  354   2HG2  THR  42          2HG2      THR  42   3.056  -9.093   6.616
  355   3HG2  THR  42          3HG2      THR  42   2.362  -8.963   8.232
  356    H    ILE  43           H        ILE  43  -0.565  -9.213   5.811
  357    HA   ILE  43           HA       ILE  43  -1.999  -8.063   8.135
  358    HB   ILE  43           HB       ILE  43   0.358  -7.023   7.069
  359   1HG1  ILE  43          2HG1      ILE  43  -1.797  -5.949   8.868
  360   2HG1  ILE  43          1HG1      ILE  43  -0.224  -6.619   9.308
  361   1HG2  ILE  43          1HG2      ILE  43  -1.640  -4.872   6.546
  362   2HG2  ILE  43          2HG2      ILE  43  -1.464  -6.072   5.279
  363   3HG2  ILE  43          3HG2      ILE  43  -0.071  -5.141   5.800
  364   1HD1  ILE  43          1HD1      ILE  43   0.323  -4.483   7.548
  365   2HD1  ILE  43          2HD1      ILE  43   0.603  -4.522   9.293
  366   3HD1  ILE  43          3HD1      ILE  43  -0.916  -3.894   8.658
  367    H    SER  44           H        SER  44  -3.638  -6.509   7.546
  368    HA   SER  44           HA       SER  44  -4.439  -6.156   4.849
  369   1HB   SER  44          2HB       SER  44  -6.615  -7.429   5.087
  370   2HB   SER  44          1HB       SER  44  -5.185  -8.448   4.954
  371    HG   SER  44           HG       SER  44  -6.498  -9.130   6.670
  372    H    HIS  45           H        HIS  45  -4.836  -4.004   5.294
  373    HA   HIS  45           HA       HIS  45  -6.675  -3.454   7.542
  374   1HB   HIS  45          2HB       HIS  45  -5.577  -1.066   6.441
  375   2HB   HIS  45          1HB       HIS  45  -5.385  -1.691   8.068
  376    HD1  HIS  45           HD1      HIS  45  -2.990  -2.015   8.653
  377    HD2  HIS  45           HD2      HIS  45  -3.653  -2.518   4.581
  378    HE1  HIS  45           HE1      HIS  45  -0.716  -2.391   7.598
  379    H    MET  46           H        MET  46  -8.670  -3.028   6.944
  380    HA   MET  46           HA       MET  46  -9.432  -2.708   4.204
  381   1HB   MET  46          2HB       MET  46 -10.756  -3.123   6.716
  382   2HB   MET  46          1HB       MET  46 -11.534  -1.794   5.862
  383   1HG   MET  46          2HG       MET  46 -11.633  -3.241   3.815
  384   2HG   MET  46          1HG       MET  46 -11.010  -4.577   4.783
  385   1HE   MET  46          1HE       MET  46 -13.143  -6.263   6.220
  386   2HE   MET  46          2HE       MET  46 -12.298  -6.090   4.684
  387   3HE   MET  46          3HE       MET  46 -14.058  -6.164   4.710
  388    H    TYR  47           H        TYR  47  -9.080  -0.922   3.100
  389    HA   TYR  47           HA       TYR  47  -8.242   1.518   3.897
  390   1HB   TYR  47          2HB       TYR  47  -9.985   0.672   1.606
  391   2HB   TYR  47          1HB       TYR  47  -9.659   2.377   1.862
  392    HD1  TYR  47           HD1      TYR  47  -6.735   1.266   3.168
  393    HD2  TYR  47           HD2      TYR  47  -8.761   1.115  -0.630
  394    HE1  TYR  47           HE1      TYR  47  -4.580   1.054   2.008
  395    HE2  TYR  47           HE2      TYR  47  -6.606   0.901  -1.761
  396    HH   TYR  47           HH       TYR  47  -4.416   0.555  -1.498
  397    H    ALA  48           H        ALA  48 -11.716   0.578   3.890
  398    HA   ALA  48           HA       ALA  48 -12.583   3.157   4.870
  399   1HB   ALA  48          1HB       ALA  48 -13.876   0.420   4.805
  400   2HB   ALA  48          2HB       ALA  48 -14.236   1.814   3.782
  401   3HB   ALA  48          3HB       ALA  48 -14.678   1.834   5.492
  402    H    ASP  49           H        ASP  49 -11.648   0.128   6.193
  403    HA   ASP  49           HA       ASP  49 -12.146   0.558   8.965
  404   1HB   ASP  49          2HB       ASP  49 -10.250  -1.287   7.497
  405   2HB   ASP  49          1HB       ASP  49 -10.471  -1.311   9.246
  406    H    ILE  50           H        ILE  50 -10.167   2.184   6.980
  407    HA   ILE  50           HA       ILE  50  -8.439   2.980   9.208
  408    HB   ILE  50           HB       ILE  50  -6.497   3.089   7.563
  409   1HG1  ILE  50          2HG1      ILE  50  -8.613   1.819   5.931
  410   2HG1  ILE  50          1HG1      ILE  50  -7.212   2.746   5.415
  411   1HG2  ILE  50          1HG2      ILE  50  -7.342   0.250   7.976
  412   2HG2  ILE  50          2HG2      ILE  50  -7.134   1.287   9.387
  413   3HG2  ILE  50          3HG2      ILE  50  -5.781   1.010   8.289
  414   1HD1  ILE  50          1HD1      ILE  50  -5.767   0.808   5.753
  415   2HD1  ILE  50          2HD1      ILE  50  -7.109   0.354   4.705
  416   3HD1  ILE  50          3HD1      ILE  50  -7.122  -0.115   6.401
  417    H    LYS  51           H        LYS  51  -8.102   5.333   9.178
  418    HA   LYS  51           HA       LYS  51  -8.602   6.548   6.574
  419   1HB   LYS  51          2HB       LYS  51 -10.768   6.372   8.097
  420   2HB   LYS  51          1HB       LYS  51 -10.078   7.851   8.778
  421   1HG   LYS  51          2HG       LYS  51 -10.395   7.364   5.812
  422   2HG   LYS  51          1HG       LYS  51 -11.557   8.281   6.779
  423   1HD   LYS  51          2HD       LYS  51  -8.616   8.931   6.351
  424   2HD   LYS  51          1HD       LYS  51  -9.995   9.826   5.710
  425   1HE   LYS  51          2HE       LYS  51 -10.454   9.647   8.483
  426   2HE   LYS  51          1HE       LYS  51  -8.745  10.049   8.310
  427   1HZ   LYS  51          1HZ       LYS  51  -9.578  11.751   6.687
  428   2HZ   LYS  51          2HZ       LYS  51  -9.849  12.054   8.235
  429   3HZ   LYS  51          3HZ       LYS  51 -11.037  11.520   7.306
  430    H    CYS  52           H        CYS  52  -6.814   7.485   6.364
  431    HA   CYS  52           HA       CYS  52  -6.249   9.973   7.326
  432   1HB   CYS  52          2HB       CYS  52  -5.749   8.584   9.466
  433   2HB   CYS  52          1HB       CYS  52  -4.296   8.091   8.603
  434    HG   CYS  52           HG       CYS  52  -4.764  10.827   9.836
  435    H    GLN  53           H        GLN  53  -4.854  10.748   5.749
  436    HA   GLN  53           HA       GLN  53  -3.086   8.723   4.534
  437   1HB   GLN  53          2HB       GLN  53  -5.092  10.430   3.051
  438   2HB   GLN  53          1HB       GLN  53  -3.838   9.462   2.275
  439   1HG   GLN  53          2HG       GLN  53  -5.670   8.012   2.243
  440   2HG   GLN  53          1HG       GLN  53  -4.823   7.505   3.704
  441   1HE2  GLN  53          1HE2      GLN  53  -7.358   6.798   3.921
  442   2HE2  GLN  53          2HE2      GLN  53  -8.293   7.892   4.820
  443    H    LYS  54           H        LYS  54  -1.159   9.450   4.312
  444    HA   LYS  54           HA       LYS  54  -0.689  12.325   3.830
  445   1HB   LYS  54          2HB       LYS  54   0.299  12.177   5.907
  446   2HB   LYS  54          1HB       LYS  54   0.438  10.423   5.821
  447   1HG   LYS  54          2HG       LYS  54   2.509  10.497   4.830
  448   2HG   LYS  54          1HG       LYS  54   2.166  12.001   3.973
  449   1HD   LYS  54          2HD       LYS  54   2.576  11.836   6.970
  450   2HD   LYS  54          1HD       LYS  54   3.861  12.236   5.830
  451   1HE   LYS  54          2HE       LYS  54   3.134  14.361   5.649
  452   2HE   LYS  54          1HE       LYS  54   1.489  13.825   5.310
  453   1HZ   LYS  54          1HZ       LYS  54   2.020  13.379   7.969
  454   2HZ   LYS  54          2HZ       LYS  54   0.972  14.413   7.344
  455   3HZ   LYS  54          3HZ       LYS  54   2.469  14.883   7.657
  456    H    ILE  55           H        ILE  55   0.106  12.497   1.754
  457    HA   ILE  55           HA       ILE  55   1.513  10.124   0.684
  458    HB   ILE  55           HB       ILE  55   0.415  12.421  -0.939
  459   1HG1  ILE  55          2HG1      ILE  55  -1.425  11.537   0.440
  460   2HG1  ILE  55          1HG1      ILE  55  -1.633  11.060  -1.245
  461   1HG2  ILE  55          1HG2      ILE  55   1.139   9.531  -1.484
  462   2HG2  ILE  55          2HG2      ILE  55   1.900  10.973  -2.156
  463   3HG2  ILE  55          3HG2      ILE  55   0.259  10.537  -2.635
  464   1HD1  ILE  55          1HD1      ILE  55  -1.204   9.388   1.115
  465   2HD1  ILE  55          2HD1      ILE  55  -0.073   9.019  -0.187
  466   3HD1  ILE  55          3HD1      ILE  55  -1.811   8.941  -0.479
  467    H    SER  56           H        SER  56   3.625  10.470   1.146
  468    HA   SER  56           HA       SER  56   4.739  13.094   0.385
  469   1HB   SER  56          2HB       SER  56   5.016  11.486   2.764
  470   2HB   SER  56          1HB       SER  56   6.587  11.783   2.027
  471    HG   SER  56           HG       SER  56   6.346  13.624   3.055
  472    HA   PRO  57           HA       PRO  57   7.467  10.597  -2.000
  473   1HB   PRO  57          2HB       PRO  57   6.219   8.569  -3.480
  474   2HB   PRO  57          1HB       PRO  57   7.122   8.418  -1.971
  475   1HG   PRO  57          2HG       PRO  57   4.249   8.258  -2.394
  476   2HG   PRO  57          1HG       PRO  57   5.187   7.763  -1.002
  477   1HD   PRO  57          2HD       PRO  57   3.534  10.042  -1.175
  478   2HD   PRO  57          1HD       PRO  57   4.701   9.654   0.102
  479    H    GLU  58           H        GLU  58   5.687  12.744  -3.146
  480    HA   GLU  58           HA       GLU  58   5.227  12.050  -5.888
  481   1HB   GLU  58          2HB       GLU  58   4.661  14.331  -6.209
  482   2HB   GLU  58          1HB       GLU  58   4.166  13.974  -4.559
  483   1HG   GLU  58          2HG       GLU  58   5.291  16.022  -4.350
  484   2HG   GLU  58          1HG       GLU  58   6.511  14.844  -3.882
  485    H    GLY  59           H        GLY  59   7.825  13.669  -4.138
  486   1HA   GLY  59          2HA       GLY  59   9.697  12.946  -6.261
  487   2HA   GLY  59          1HA       GLY  59   9.618  14.658  -5.798
  488    H    LYS  60           H        LYS  60   9.485  11.552  -4.034
  489    HA   LYS  60           HA       LYS  60  11.311  12.807  -2.084
  490   1HB   LYS  60          2HB       LYS  60   9.217  10.666  -1.635
  491   2HB   LYS  60          1HB       LYS  60  10.155  11.522  -0.392
  492   1HG   LYS  60          2HG       LYS  60   9.040  13.498  -2.117
  493   2HG   LYS  60          1HG       LYS  60   7.741  12.401  -1.662
  494   1HD   LYS  60          2HD       LYS  60   7.645  13.712   0.209
  495   2HD   LYS  60          1HD       LYS  60   8.995  12.707   0.738
  496   1HE   LYS  60          2HE       LYS  60  10.582  14.349  -0.212
  497   2HE   LYS  60          1HE       LYS  60   9.227  15.360  -0.714
  498   1HZ   LYS  60          1HZ       LYS  60   8.680  15.042   1.809
  499   2HZ   LYS  60          2HZ       LYS  60   9.610  16.237   1.291
  500   3HZ   LYS  60          3HZ       LYS  60  10.273  14.920   1.912
  501    H    ALA  61           H        ALA  61  11.906  10.771  -0.527
  502    HA   ALA  61           HA       ALA  61  14.203   9.670  -1.395
  503   1HB   ALA  61          1HB       ALA  61  14.085   8.154   0.377
  504   2HB   ALA  61          2HB       ALA  61  12.348   7.918   0.189
  505   3HB   ALA  61          3HB       ALA  61  12.963   9.415   0.889
  506    H    LYS  62           H        LYS  62  11.318   7.516  -1.345
  507    HA   LYS  62           HA       LYS  62  11.711   6.814  -4.097
  508   1HB   LYS  62          2HB       LYS  62  12.167   4.304  -3.142
  509   2HB   LYS  62          1HB       LYS  62  13.430   5.366  -3.749
  510   1HG   LYS  62          2HG       LYS  62  12.619   5.732  -0.899
  511   2HG   LYS  62          1HG       LYS  62  13.502   4.260  -1.274
  512   1HD   LYS  62          2HD       LYS  62  14.763   6.464  -2.601
  513   2HD   LYS  62          1HD       LYS  62  14.547   6.854  -0.893
  514   1HE   LYS  62          2HE       LYS  62  15.400   4.299  -0.671
  515   2HE   LYS  62          1HE       LYS  62  16.225   4.755  -2.161
  516   1HZ   LYS  62          1HZ       LYS  62  16.628   5.729   0.490
  517   2HZ   LYS  62          2HZ       LYS  62  16.695   6.841  -0.658
  518   3HZ   LYS  62          3HZ       LYS  62  17.678   5.580  -0.709
  519    H    ILE  63           H        ILE  63   9.226   7.523  -2.676
  520    HA   ILE  63           HA       ILE  63   7.243   6.877  -2.645
  521    HB   ILE  63           HB       ILE  63   6.544   5.558  -4.193
  522   1HG1  ILE  63          2HG1      ILE  63   7.617   2.969  -3.240
  523   2HG1  ILE  63          1HG1      ILE  63   6.579   3.830  -2.122
  524   1HG2  ILE  63          1HG2      ILE  63   9.028   3.933  -4.520
  525   2HG2  ILE  63          2HG2      ILE  63   9.083   5.660  -4.880
  526   3HG2  ILE  63          3HG2      ILE  63   7.956   4.618  -5.737
  527   1HD1  ILE  63          1HD1      ILE  63   5.464   3.959  -4.759
  528   2HD1  ILE  63          2HD1      ILE  63   4.753   3.341  -3.269
  529   3HD1  ILE  63          3HD1      ILE  63   5.735   2.285  -4.275
  530    H    GLN  64           H        GLN  64   7.228   7.330  -0.660
  531    HA   GLN  64           HA       GLN  64   7.045   5.022   1.216
  532   1HB   GLN  64          2HB       GLN  64   7.904   6.388   3.003
  533   2HB   GLN  64          1HB       GLN  64   9.006   6.607   1.641
  534   1HG   GLN  64          2HG       GLN  64   7.871   8.689   1.026
  535   2HG   GLN  64          1HG       GLN  64   6.716   8.464   2.340
  536   1HE2  GLN  64          1HE2      GLN  64  10.237   7.826   2.492
  537   2HE2  GLN  64          2HE2      GLN  64  10.558   9.001   3.675
  538    H    LEU  65           H        LEU  65   5.012   4.921   2.267
  539    HA   LEU  65           HA       LEU  65   3.364   7.360   2.048
  540   1HB   LEU  65          2HB       LEU  65   1.419   6.090   1.381
  541   2HB   LEU  65          1HB       LEU  65   2.733   5.727   0.280
  542    HG   LEU  65           HG       LEU  65   1.535   3.691   0.856
  543   1HD1  LEU  65          1HD1      LEU  65   4.229   3.986   0.890
  544   2HD1  LEU  65          2HD1      LEU  65   3.400   2.432   0.980
  545   3HD1  LEU  65          3HD1      LEU  65   3.949   3.223   2.455
  546   1HD2  LEU  65          1HD2      LEU  65   1.017   4.716   3.266
  547   2HD2  LEU  65          2HD2      LEU  65   2.429   3.748   3.694
  548   3HD2  LEU  65          3HD2      LEU  65   1.017   2.976   2.974
  549    H    GLN  66           H        GLN  66   1.469   7.360   3.521
  550    HA   GLN  66           HA       GLN  66   1.751   5.650   5.879
  551   1HB   GLN  66          2HB       GLN  66   2.699   8.383   5.742
  552   2HB   GLN  66          1HB       GLN  66   1.406   8.230   6.932
  553   1HG   GLN  66          2HG       GLN  66   2.568   6.516   8.121
  554   2HG   GLN  66          1HG       GLN  66   3.732   6.302   6.813
  555   1HE2  GLN  66          1HE2      GLN  66   4.842   8.621   6.246
  556   2HE2  GLN  66          2HE2      GLN  66   5.417   9.455   7.608
  557    H    LEU  67           H        LEU  67  -0.230   5.064   6.488
  558    HA   LEU  67           HA       LEU  67  -2.529   6.878   5.994
  559   1HB   LEU  67          2HB       LEU  67  -2.560   5.118   4.291
  560   2HB   LEU  67          1HB       LEU  67  -2.303   3.881   5.518
  561    HG   LEU  67           HG       LEU  67  -4.625   5.607   6.044
  562   1HD1  LEU  67          1HD1      LEU  67  -5.741   3.881   4.217
  563   2HD1  LEU  67          2HD1      LEU  67  -4.243   4.349   3.413
  564   3HD1  LEU  67          3HD1      LEU  67  -5.399   5.584   3.911
  565   1HD2  LEU  67          1HD2      LEU  67  -5.443   2.987   5.940
  566   2HD2  LEU  67          2HD2      LEU  67  -4.764   3.762   7.372
  567   3HD2  LEU  67          3HD2      LEU  67  -3.727   2.811   6.308
  568    H    VAL  68           H        VAL  68  -4.233   6.537   7.680
  569    HA   VAL  68           HA       VAL  68  -3.143   4.986   9.916
  570    HB   VAL  68           HB       VAL  68  -4.651   7.516  10.443
  571   1HG1  VAL  68          1HG1      VAL  68  -4.448   6.072  12.343
  572   2HG1  VAL  68          2HG1      VAL  68  -3.206   7.306  12.534
  573   3HG1  VAL  68          3HG1      VAL  68  -2.767   5.703  11.948
  574   1HG2  VAL  68          1HG2      VAL  68  -1.697   7.406  10.664
  575   2HG2  VAL  68          2HG2      VAL  68  -2.735   8.787  10.306
  576   3HG2  VAL  68          3HG2      VAL  68  -2.359   7.612   9.044
  577    H    LEU  69           H        LEU  69  -4.548   4.318  11.428
  578    HA   LEU  69           HA       LEU  69  -6.975   3.250  10.282
  579   1HB   LEU  69          2HB       LEU  69  -5.627   2.899  12.972
  580   2HB   LEU  69          1HB       LEU  69  -6.870   1.847  12.331
  581    HG   LEU  69           HG       LEU  69  -4.074   1.607  12.008
  582   1HD1  LEU  69          1HD1      LEU  69  -5.034  -0.085  10.119
  583   2HD1  LEU  69          2HD1      LEU  69  -6.469   0.185  11.121
  584   3HD1  LEU  69          3HD1      LEU  69  -4.987  -0.435  11.849
  585   1HD2  LEU  69          1HD2      LEU  69  -4.018   1.451   9.429
  586   2HD2  LEU  69          2HD2      LEU  69  -3.790   3.024  10.187
  587   3HD2  LEU  69          3HD2      LEU  69  -5.352   2.599   9.489
  588    H    HIS  70           H        HIS  70  -9.098   3.635  11.181
  589    HA   HIS  70           HA       HIS  70  -9.723   6.159  12.150
  590   1HB   HIS  70          2HB       HIS  70 -11.039   3.473  12.674
  591   2HB   HIS  70          1HB       HIS  70 -11.734   4.997  13.227
  592    HD1  HIS  70           HD1      HIS  70 -12.952   6.417  11.518
  593    HD2  HIS  70           HD2      HIS  70 -10.859   3.267   9.763
  594    HE1  HIS  70           HE1      HIS  70 -13.634   6.374   9.080
  595    H    ALA  71           H        ALA  71  -8.492   3.334  13.669
  596    HA   ALA  71           HA       ALA  71  -8.651   4.330  16.386
  597   1HB   ALA  71          1HB       ALA  71  -6.842   2.104  15.453
  598   2HB   ALA  71          2HB       ALA  71  -8.581   1.847  15.593
  599   3HB   ALA  71          3HB       ALA  71  -7.638   2.295  17.015
  600    H    GLY  72           H        GLY  72  -5.921   3.564  17.110
  601   1HA   GLY  72          2HA       GLY  72  -4.542   5.920  16.025
  602   2HA   GLY  72          1HA       GLY  72  -4.264   5.218  17.622
  603    H    ASP  73           H        ASP  73  -4.458   3.904  14.436
  604    HA   ASP  73           HA       ASP  73  -1.727   2.796  14.793
  605   1HB   ASP  73          2HB       ASP  73  -4.243   1.435  13.861
  606   2HB   ASP  73          1HB       ASP  73  -2.666   0.856  13.323
  607    H    THR  74           H        THR  74  -0.385   3.243  13.153
  608    HA   THR  74           HA       THR  74  -1.595   4.477  10.777
  609    HB   THR  74           HB       THR  74   1.305   4.660  11.539
  610    HG1  THR  74           HG1      THR  74  -0.851   6.242  12.480
  611   1HG2  THR  74          1HG2      THR  74   0.735   7.010  10.472
  612   2HG2  THR  74          2HG2      THR  74  -0.634   6.130   9.793
  613   3HG2  THR  74          3HG2      THR  74   1.013   5.607   9.441
  614    H    THR  75           H        THR  75  -0.360   4.018   8.706
  615    HA   THR  75           HA       THR  75   0.878   1.360   8.803
  616    HB   THR  75           HB       THR  75  -1.027   2.355   6.659
  617    HG1  THR  75           HG1      THR  75  -1.778   1.722   8.948
  618   1HG2  THR  75          1HG2      THR  75   0.583   0.741   5.837
  619   2HG2  THR  75          2HG2      THR  75  -0.975  -0.067   6.010
  620   3HG2  THR  75          3HG2      THR  75   0.287  -0.316   7.217
  621    H    ASN  76           H        ASN  76   2.987   1.894   8.225
  622    HA   ASN  76           HA       ASN  76   3.290   4.002   6.178
  623   1HB   ASN  76          2HB       ASN  76   5.298   2.941   8.191
  624   2HB   ASN  76          1HB       ASN  76   5.575   4.254   7.046
  625   1HD2  ASN  76          1HD2      ASN  76   5.909   5.802   8.823
  626   2HD2  ASN  76          2HD2      ASN  76   4.600   6.363   9.746
  627    H    PHE  77           H        PHE  77   4.356   3.390   4.261
  628    HA   PHE  77           HA       PHE  77   5.588   0.740   4.321
  629   1HB   PHE  77          2HB       PHE  77   2.999   1.245   3.243
  630   2HB   PHE  77          1HB       PHE  77   4.099   0.853   1.922
  631    HD1  PHE  77           HD1      PHE  77   5.963  -0.924   2.790
  632    HD2  PHE  77           HD2      PHE  77   1.897  -0.691   4.116
  633    HE1  PHE  77           HE1      PHE  77   6.057  -3.296   3.435
  634    HE2  PHE  77           HE2      PHE  77   1.974  -3.074   4.759
  635    HZ   PHE  77           HZ       PHE  77   4.084  -4.366   4.409
  636    H    HIS  78           H        HIS  78   7.158   0.441   2.861
  637    HA   HIS  78           HA       HIS  78   7.722   2.666   0.980
  638   1HB   HIS  78          2HB       HIS  78   8.919   3.273   3.007
  639   2HB   HIS  78          1HB       HIS  78   9.663   1.674   3.095
  640    HD1  HIS  78           HD1      HIS  78  11.261   1.016   1.168
  641    HD2  HIS  78           HD2      HIS  78  10.203   5.046   1.127
  642    HE1  HIS  78           HE1      HIS  78  12.811   2.143  -0.412
  643    H    PHE  79           H        PHE  79   9.311   2.192  -0.612
  644    HA   PHE  79           HA       PHE  79  10.142  -0.630  -0.860
  645   1HB   PHE  79          2HB       PHE  79   9.075   0.647  -3.298
  646   2HB   PHE  79          1HB       PHE  79   9.032  -1.029  -2.800
  647    HD1  PHE  79           HD1      PHE  79   7.630   2.262  -1.522
  648    HD2  PHE  79           HD2      PHE  79   6.905  -1.869  -2.470
  649    HE1  PHE  79           HE1      PHE  79   5.218   2.536  -0.956
  650    HE2  PHE  79           HE2      PHE  79   4.531  -1.584  -1.857
  651    HZ   PHE  79           HZ       PHE  79   3.693   0.602  -1.128
  652    H    SER  80           H        SER  80  12.203  -0.767  -2.211
  653    HA   SER  80           HA       SER  80  12.981   1.219  -3.953
  654   1HB   SER  80          2HB       SER  80  13.322   2.693  -2.048
  655   2HB   SER  80          1HB       SER  80  14.278   1.461  -1.228
  656    HG   SER  80           HG       SER  80  15.907   1.830  -2.555
  657    H    ASN  81           H        ASN  81  14.819   0.399  -5.067
  658    HA   ASN  81           HA       ASN  81  16.364  -1.684  -3.730
  659   1HB   ASN  81          2HB       ASN  81  14.498  -2.191  -6.021
  660   2HB   ASN  81          1HB       ASN  81  15.980  -3.134  -5.874
  661   1HD2  ASN  81          1HD2      ASN  81  13.077  -2.174  -3.976
  662   2HD2  ASN  81          2HD2      ASN  81  13.069  -3.561  -3.003
  663    H    GLU  82           H        GLU  82  18.033  -2.547  -5.499
  664    HA   GLU  82           HA       GLU  82  19.717  -0.481  -6.184
  665   1HB   GLU  82          2HB       GLU  82  20.441  -2.802  -6.317
  666   2HB   GLU  82          1HB       GLU  82  19.293  -3.119  -7.618
  667   1HG   GLU  82          2HG       GLU  82  21.481  -2.771  -8.606
  668   2HG   GLU  82          1HG       GLU  82  20.470  -1.379  -8.996
  669    H    SER  83           H        SER  83  16.999  -1.823  -8.029
  670    HA   SER  83           HA       SER  83  16.947   0.654  -9.570
  671   1HB   SER  83          2HB       SER  83  16.576  -1.540 -11.393
  672   2HB   SER  83          1HB       SER  83  17.723  -0.207 -11.485
  673    HG   SER  83           HG       SER  83  18.155  -2.773 -10.849
  674    H    THR  84           H        THR  84  15.190  -1.131  -7.609
  675    HA   THR  84           HA       THR  84  12.855  -1.183  -9.430
  676    HB   THR  84           HB       THR  84  12.106  -3.074  -8.394
  677    HG1  THR  84           HG1      THR  84  12.848  -3.257  -5.999
  678   1HG2  THR  84          1HG2      THR  84  15.024  -3.001  -7.617
  679   2HG2  THR  84          2HG2      THR  84  14.270  -3.873  -8.950
  680   3HG2  THR  84          3HG2      THR  84  14.003  -4.400  -7.288
  681    H    ALA  85           H        ALA  85  14.076   1.110  -7.822
  682    HA   ALA  85           HA       ALA  85  11.807   1.646  -6.020
  683   1HB   ALA  85          1HB       ALA  85  13.792   3.773  -6.226
  684   2HB   ALA  85          2HB       ALA  85  14.548   2.238  -5.795
  685   3HB   ALA  85          3HB       ALA  85  13.252   2.895  -4.795
  686    H    VAL  86           H        VAL  86  10.643   1.666  -8.297
  687    HA   VAL  86           HA       VAL  86  10.469   4.481  -9.021
  688    HB   VAL  86           HB       VAL  86  10.952   4.181 -11.376
  689   1HG1  VAL  86          1HG1      VAL  86  12.857   4.557  -9.809
  690   2HG1  VAL  86          2HG1      VAL  86  13.329   3.653 -11.247
  691   3HG1  VAL  86          3HG1      VAL  86  13.089   2.811  -9.717
  692   1HG2  VAL  86          1HG2      VAL  86  10.080   1.702 -11.217
  693   2HG2  VAL  86          2HG2      VAL  86  11.771   1.330 -10.882
  694   3HG2  VAL  86          3HG2      VAL  86  11.323   2.110 -12.399
  695    H    LYS  87           H        LYS  87   9.232   3.576 -11.674
  696    HA   LYS  87           HA       LYS  87   6.618   3.922 -11.302
  697   1HB   LYS  87          2HB       LYS  87   7.967   1.901 -13.100
  698   2HB   LYS  87          1HB       LYS  87   6.238   2.243 -13.184
  699   1HG   LYS  87          2HG       LYS  87   8.159   4.542 -13.237
  700   2HG   LYS  87          1HG       LYS  87   7.946   3.583 -14.702
  701   1HD   LYS  87          2HD       LYS  87   5.719   4.917 -13.132
  702   2HD   LYS  87          1HD       LYS  87   6.378   5.489 -14.665
  703   1HE   LYS  87          2HE       LYS  87   4.848   4.192 -15.694
  704   2HE   LYS  87          1HE       LYS  87   5.766   2.797 -15.127
  705   1HZ   LYS  87          1HZ       LYS  87   3.281   3.752 -14.232
  706   2HZ   LYS  87          2HZ       LYS  87   4.299   3.562 -13.012
  707   3HZ   LYS  87          3HZ       LYS  87   3.966   2.328 -13.975
  708    H    GLU  88           H        GLU  88   8.217   0.774 -10.828
  709    HA   GLU  88           HA       GLU  88   6.065  -0.828 -10.223
  710   1HB   GLU  88          2HB       GLU  88   7.744  -1.577  -8.235
  711   2HB   GLU  88          1HB       GLU  88   8.015  -2.026  -9.908
  712   1HG   GLU  88          2HG       GLU  88   9.100   0.616  -9.230
  713   2HG   GLU  88          1HG       GLU  88   9.822  -0.708  -8.329
  714    H    ARG  89           H        ARG  89   7.936   0.677  -7.672
  715    HA   ARG  89           HA       ARG  89   5.881   0.569  -5.743
  716   1HB   ARG  89          2HB       ARG  89   8.019   2.651  -5.548
  717   2HB   ARG  89          1HB       ARG  89   7.414   1.548  -4.316
  718   1HG   ARG  89          2HG       ARG  89   9.274   0.861  -6.605
  719   2HG   ARG  89          1HG       ARG  89   9.658   0.847  -4.894
  720   1HD   ARG  89          2HD       ARG  89   8.224  -1.016  -4.478
  721   2HD   ARG  89          1HD       ARG  89   7.438  -0.851  -6.041
  722    HE   ARG  89           HE       ARG  89  10.113  -1.280  -6.605
  723   1HH1  ARG  89          1HH2      ARG  89   7.625  -2.830  -4.794
  724   2HH1  ARG  89          2HH2      ARG  89   8.202  -4.423  -5.124
  725   1HH2  ARG  89          1HH1      ARG  89  10.886  -3.359  -7.015
  726   2HH2  ARG  89          2HH1      ARG  89  10.055  -4.725  -6.359
  727    H    ASP  90           H        ASP  90   7.226   3.304  -7.559
  728    HA   ASP  90           HA       ASP  90   5.454   5.271  -6.713
  729   1HB   ASP  90          2HB       ASP  90   7.485   5.145  -8.540
  730   2HB   ASP  90          1HB       ASP  90   6.085   5.359  -9.591
  731    H    ALA  91           H        ALA  91   4.658   2.445  -8.469
  732    HA   ALA  91           HA       ALA  91   2.286   3.684  -9.655
  733   1HB   ALA  91          1HB       ALA  91   3.404   0.877  -9.885
  734   2HB   ALA  91          2HB       ALA  91   3.586   2.161 -11.081
  735   3HB   ALA  91          3HB       ALA  91   1.991   1.486 -10.746
  736    H    VAL  92           H        VAL  92   3.291   1.383  -7.132
  737    HA   VAL  92           HA       VAL  92   0.545   0.587  -6.578
  738    HB   VAL  92           HB       VAL  92   1.693   0.029  -4.262
  739   1HG1  VAL  92          1HG1      VAL  92   1.271  -1.960  -5.239
  740   2HG1  VAL  92          2HG1      VAL  92   2.919  -1.901  -5.860
  741   3HG1  VAL  92          3HG1      VAL  92   1.586  -1.312  -6.847
  742   1HG2  VAL  92          1HG2      VAL  92   3.749   1.364  -4.848
  743   2HG2  VAL  92          2HG2      VAL  92   4.114   0.151  -6.076
  744   3HG2  VAL  92          3HG2      VAL  92   4.081  -0.298  -4.374
  745    H    LYS  93           H        LYS  93   2.869   2.983  -5.440
  746    HA   LYS  93           HA       LYS  93   1.203   4.108  -3.413
  747   1HB   LYS  93          2HB       LYS  93   3.520   4.705  -3.394
  748   2HB   LYS  93          1HB       LYS  93   3.480   5.195  -5.088
  749   1HG   LYS  93          2HG       LYS  93   1.540   6.810  -4.034
  750   2HG   LYS  93          1HG       LYS  93   2.649   6.679  -2.670
  751   1HD   LYS  93          2HD       LYS  93   3.218   8.584  -4.161
  752   2HD   LYS  93          1HD       LYS  93   4.516   7.393  -4.070
  753   1HE   LYS  93          2HE       LYS  93   4.104   6.587  -6.226
  754   2HE   LYS  93          1HE       LYS  93   2.434   7.156  -6.226
  755   1HZ   LYS  93          1HZ       LYS  93   4.729   8.504  -7.063
  756   2HZ   LYS  93          2HZ       LYS  93   3.982   9.359  -5.935
  757   3HZ   LYS  93          3HZ       LYS  93   3.195   8.922  -7.257
  758    H    ASP  94           H        ASP  94   2.008   5.191  -6.735
  759    HA   ASP  94           HA       ASP  94   0.129   7.144  -7.120
  760   1HB   ASP  94          2HB       ASP  94   1.763   6.481  -8.831
  761   2HB   ASP  94          1HB       ASP  94   0.894   4.966  -9.080
  762    H    LEU  95           H        LEU  95  -0.459   3.723  -6.670
  763    HA   LEU  95           HA       LEU  95  -3.205   3.985  -7.642
  764   1HB   LEU  95          2HB       LEU  95  -1.473   1.738  -6.631
  765   2HB   LEU  95          1HB       LEU  95  -3.225   1.544  -6.750
  766    HG   LEU  95           HG       LEU  95  -2.063   2.799  -9.123
  767   1HD1  LEU  95          1HD1      LEU  95  -1.517   0.012  -9.428
  768   2HD1  LEU  95          2HD1      LEU  95  -0.658   0.583  -8.005
  769   3HD1  LEU  95          3HD1      LEU  95  -0.387   1.359  -9.561
  770   1HD2  LEU  95          1HD2      LEU  95  -4.369   1.847  -8.798
  771   2HD2  LEU  95          2HD2      LEU  95  -3.622   0.250  -8.743
  772   3HD2  LEU  95          3HD2      LEU  95  -3.523   1.218 -10.213
  773    H    LEU  96           H        LEU  96  -1.396   3.426  -4.643
  774    HA   LEU  96           HA       LEU  96  -3.306   3.081  -2.746
  775   1HB   LEU  96          2HB       LEU  96  -0.973   5.026  -2.716
  776   2HB   LEU  96          1HB       LEU  96  -1.864   4.549  -1.284
  777    HG   LEU  96           HG       LEU  96   0.039   2.952  -2.962
  778   1HD1  LEU  96          1HD1      LEU  96  -0.382   3.689  -0.131
  779   2HD1  LEU  96          2HD1      LEU  96   1.118   3.468  -1.036
  780   3HD1  LEU  96          3HD1      LEU  96   0.242   2.064  -0.420
  781   1HD2  LEU  96          1HD2      LEU  96  -0.951   0.900  -1.699
  782   2HD2  LEU  96          2HD2      LEU  96  -1.781   1.464  -3.150
  783   3HD2  LEU  96          3HD2      LEU  96  -2.407   1.885  -1.556
  784    H    GLN  97           H        GLN  97  -2.231   6.304  -3.810
  785    HA   GLN  97           HA       GLN  97  -4.411   7.662  -2.536
  786   1HB   GLN  97          2HB       GLN  97  -2.788   8.734  -4.853
  787   2HB   GLN  97          1HB       GLN  97  -3.628   9.650  -3.606
  788   1HG   GLN  97          2HG       GLN  97  -1.647   9.686  -2.520
  789   2HG   GLN  97          1HG       GLN  97  -1.988   7.999  -2.129
  790   1HE2  GLN  97          1HE2      GLN  97  -1.741   7.288  -5.092
  791   2HE2  GLN  97          2HE2      GLN  97  -0.070   7.206  -5.342
  792    H    GLN  98           H        GLN  98  -4.498   5.630  -5.102
  793    HA   GLN  98           HA       GLN  98  -6.440   7.137  -6.673
  794   1HB   GLN  98          2HB       GLN  98  -4.580   5.482  -7.536
  795   2HB   GLN  98          1HB       GLN  98  -5.760   4.243  -7.104
  796   1HG   GLN  98          2HG       GLN  98  -7.166   6.297  -8.486
  797   2HG   GLN  98          1HG       GLN  98  -5.721   5.927  -9.427
  798   1HE2  GLN  98          1HE2      GLN  98  -5.859   4.104 -10.751
  799   2HE2  GLN  98          2HE2      GLN  98  -7.016   2.873 -10.588
  800    H    LEU  99           H        LEU  99  -6.222   4.334  -4.485
  801    HA   LEU  99           HA       LEU  99  -9.101   3.853  -4.690
  802   1HB   LEU  99          2HB       LEU  99  -7.728   2.660  -2.389
  803   2HB   LEU  99          1HB       LEU  99  -8.668   1.874  -3.635
  804    HG   LEU  99           HG       LEU  99  -6.440   2.563  -5.041
  805   1HD1  LEU  99          1HD1      LEU  99  -4.803   1.539  -3.072
  806   2HD1  LEU  99          2HD1      LEU  99  -5.871   2.617  -2.166
  807   3HD1  LEU  99          3HD1      LEU  99  -4.924   3.237  -3.522
  808   1HD2  LEU  99          1HD2      LEU  99  -6.591   0.329  -5.350
  809   2HD2  LEU  99          2HD2      LEU  99  -7.643   0.199  -3.940
  810   3HD2  LEU  99          3HD2      LEU  99  -5.894   0.074  -3.750
  811    H    LEU 100           H        LEU 100  -6.882   5.649  -2.717
  812    HA   LEU 100           HA       LEU 100  -8.101   5.835  -0.299
  813   1HB   LEU 100          2HB       LEU 100  -6.719   7.913  -1.976
  814   2HB   LEU 100          1HB       LEU 100  -7.394   8.341  -0.406
  815    HG   LEU 100           HG       LEU 100  -5.275   6.261  -1.001
  816   1HD1  LEU 100          1HD1      LEU 100  -5.374   8.899   0.452
  817   2HD1  LEU 100          2HD1      LEU 100  -4.253   8.374  -0.804
  818   3HD1  LEU 100          3HD1      LEU 100  -4.128   7.707   0.824
  819   1HD2  LEU 100          1HD2      LEU 100  -7.085   6.631   1.351
  820   2HD2  LEU 100          2HD2      LEU 100  -5.401   6.213   1.667
  821   3HD2  LEU 100          3HD2      LEU 100  -6.404   5.147   0.683
  822    HA   PRO 101           HA       PRO 101 -11.030   9.239  -2.316
  823   1HB   PRO 101          2HB       PRO 101 -11.235   7.776  -4.889
  824   2HB   PRO 101          1HB       PRO 101 -11.249   9.522  -4.597
  825   1HG   PRO 101          2HG       PRO 101  -9.098   8.095  -5.609
  826   2HG   PRO 101          1HG       PRO 101  -8.968   9.670  -4.810
  827   1HD   PRO 101          2HD       PRO 101  -8.058   7.093  -3.856
  828   2HD   PRO 101          1HD       PRO 101  -7.821   8.692  -3.129
  829    H    LYS 102           H        LYS 102 -10.968   5.828  -3.258
  830    HA   LYS 102           HA       LYS 102 -13.624   5.197  -3.431
  831   1HB   LYS 102          2HB       LYS 102 -11.715   3.650  -3.802
  832   2HB   LYS 102          1HB       LYS 102 -11.504   3.551  -2.052
  833   1HG   LYS 102          2HG       LYS 102 -13.096   1.986  -1.913
  834   2HG   LYS 102          1HG       LYS 102 -14.262   3.071  -2.674
  835   1HD   LYS 102          2HD       LYS 102 -12.307   1.927  -4.551
  836   2HD   LYS 102          1HD       LYS 102 -13.344   0.724  -3.785
  837   1HE   LYS 102          2HE       LYS 102 -15.258   2.444  -4.370
  838   2HE   LYS 102          1HE       LYS 102 -14.099   3.013  -5.571
  839   1HZ   LYS 102          1HZ       LYS 102 -14.113   0.971  -6.588
  840   2HZ   LYS 102          2HZ       LYS 102 -15.656   1.155  -6.208
  841   3HZ   LYS 102          3HZ       LYS 102 -14.726   0.192  -5.331
  842    H    PHE 103           H        PHE 103 -11.754   5.430  -0.383
  843    HA   PHE 103           HA       PHE 103 -14.328   5.047   1.018
  844   1HB   PHE 103          2HB       PHE 103 -12.477   4.661   2.982
  845   2HB   PHE 103          1HB       PHE 103 -13.093   3.361   1.963
  846    HD1  PHE 103           HD1      PHE 103 -11.890   2.892  -0.235
  847    HD2  PHE 103           HD2      PHE 103 -10.177   5.238   2.926
  848    HE1  PHE 103           HE1      PHE 103  -9.652   2.588  -1.234
  849    HE2  PHE 103           HE2      PHE 103  -7.922   4.921   1.940
  850    HZ   PHE 103           HZ       PHE 103  -7.659   3.597  -0.144
  851    H    LYS 104           H        LYS 104 -12.352   7.481   0.070
  852    HA   LYS 104           HA       LYS 104 -13.442   9.248   2.080
  853   1HB   LYS 104          2HB       LYS 104 -11.108  10.146   2.633
  854   2HB   LYS 104          1HB       LYS 104 -11.572   8.622   3.383
  855   1HG   LYS 104          2HG       LYS 104 -10.183   7.359   1.990
  856   2HG   LYS 104          1HG       LYS 104 -10.155   8.600   0.736
  857   1HD   LYS 104          2HD       LYS 104  -8.973   9.142   3.451
  858   2HD   LYS 104          1HD       LYS 104  -8.036   8.302   2.216
  859   1HE   LYS 104          2HE       LYS 104  -7.459  10.423   1.592
  860   2HE   LYS 104          1HE       LYS 104  -9.009  10.372   0.752
  861   1HZ   LYS 104          1HZ       LYS 104  -9.970  11.615   2.370
  862   2HZ   LYS 104          2HZ       LYS 104  -8.504  12.256   2.386
  863   3HZ   LYS 104          3HZ       LYS 104  -8.930  11.204   3.515
  864    H    ARG 105           H        ARG 105 -14.031  10.976   0.924
  865    HA   ARG 105           HA       ARG 105 -12.176  12.228  -0.911
  866   1HB   ARG 105          2HB       ARG 105 -13.997  12.117  -2.766
  867   2HB   ARG 105          1HB       ARG 105 -12.956  10.713  -2.530
  868   1HG   ARG 105          2HG       ARG 105 -14.753   9.828  -0.938
  869   2HG   ARG 105          1HG       ARG 105 -15.799  11.097  -1.576
  870   1HD   ARG 105          2HD       ARG 105 -14.768   9.990  -3.877
  871   2HD   ARG 105          1HD       ARG 105 -14.933   8.581  -2.828
  872    HE   ARG 105           HE       ARG 105 -17.312   9.892  -2.533
  873   1HH1  ARG 105          1HH2      ARG 105 -15.390   8.767  -5.176
  874   2HH1  ARG 105          2HH2      ARG 105 -16.751   8.455  -6.199
  875   1HH2  ARG 105          1HH1      ARG 105 -19.092   9.487  -3.860
  876   2HH2  ARG 105          2HH1      ARG 105 -18.844   8.862  -5.456
  877    H    LYS 106           H        LYS 106 -15.622  12.030   0.039
  878    HA   LYS 106           HA       LYS 106 -15.628  14.989   0.079
  879   1HB   LYS 106          2HB       LYS 106 -17.413  13.121  -1.090
  880   2HB   LYS 106          1HB       LYS 106 -18.256  13.835   0.285
  881   1HG   LYS 106          2HG       LYS 106 -18.110  16.002  -0.579
  882   2HG   LYS 106          1HG       LYS 106 -16.731  15.605  -1.605
  883   1HD   LYS 106          2HD       LYS 106 -18.709  15.844  -3.005
  884   2HD   LYS 106          1HD       LYS 106 -18.229  14.146  -2.977
  885   1HE   LYS 106          2HE       LYS 106 -19.907  13.706  -1.213
  886   2HE   LYS 106          1HE       LYS 106 -20.401  15.398  -1.270
  887   1HZ   LYS 106          1HZ       LYS 106 -21.407  15.081  -3.229
  888   2HZ   LYS 106          2HZ       LYS 106 -21.544  13.572  -2.715
  889   3HZ   LYS 106          3HZ       LYS 106 -20.387  13.961  -3.749
  890    H    ALA 107           H        ALA 107 -17.792  12.646   1.656
  891    HA   ALA 107           HA       ALA 107 -16.696  13.293   4.269
  892   1HB   ALA 107          1HB       ALA 107 -19.286  14.410   3.246
  893   2HB   ALA 107          2HB       ALA 107 -18.062  15.179   4.256
  894   3HB   ALA 107          3HB       ALA 107 -19.148  13.976   4.950
  895    H    ASN 108           H        ASN 108 -17.125  10.878   2.652
  896    HA   ASN 108           HA       ASN 108 -18.480   9.327   4.691
  897   1HB   ASN 108          2HB       ASN 108 -19.864  10.142   2.284
  898   2HB   ASN 108          1HB       ASN 108 -19.676   8.388   2.319
  899   1HD2  ASN 108          1HD2      ASN 108 -20.279  10.856   4.894
  900   2HD2  ASN 108          2HD2      ASN 108 -21.621  10.050   5.549
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -13.048 -18.680  -8.808
    2   2H    MET   1          2H        MET   1 -14.100 -17.644  -8.192
    3   3H    MET   1          3H        MET   1 -14.066 -17.905  -9.770
    4    HA   MET   1           HA       MET   1 -14.716 -20.215  -9.420
    5   1HB   MET   1          2HB       MET   1 -13.853 -20.166  -7.035
    6   2HB   MET   1          1HB       MET   1 -15.281 -19.219  -6.615
    7   1HG   MET   1          2HG       MET   1 -16.023 -21.383  -6.169
    8   2HG   MET   1          1HG       MET   1 -16.573 -21.163  -7.831
    9   1HE   MET   1          1HE       MET   1 -15.950 -24.679  -7.479
   10   2HE   MET   1          2HE       MET   1 -16.432 -23.479  -6.282
   11   3HE   MET   1          3HE       MET   1 -14.930 -24.375  -6.066
   12    H    ALA   2           H        ALA   2 -16.093 -17.351  -7.774
   13    HA   ALA   2           HA       ALA   2 -18.704 -18.020  -8.937
   14   1HB   ALA   2          1HB       ALA   2 -17.923 -16.924  -6.494
   15   2HB   ALA   2          2HB       ALA   2 -19.566 -16.970  -7.135
   16   3HB   ALA   2          3HB       ALA   2 -18.556 -15.548  -7.398
   17    H    THR   3           H        THR   3 -19.727 -15.424  -9.190
   18    HA   THR   3           HA       THR   3 -18.834 -14.724 -11.777
   19    HB   THR   3           HB       THR   3 -20.039 -12.444 -10.660
   20    HG1  THR   3           HG1      THR   3 -20.928 -13.232  -8.932
   21   1HG2  THR   3          1HG2      THR   3 -20.404 -14.105 -12.790
   22   2HG2  THR   3          2HG2      THR   3 -21.541 -12.840 -12.324
   23   3HG2  THR   3          3HG2      THR   3 -21.815 -14.505 -11.812
   24    H    SER   4           H        SER   4 -18.392 -12.045 -11.892
   25    HA   SER   4           HA       SER   4 -15.718 -11.683 -11.480
   26   1HB   SER   4          2HB       SER   4 -17.694 -10.096 -12.418
   27   2HB   SER   4          1HB       SER   4 -17.399  -9.311 -10.869
   28    HG   SER   4           HG       SER   4 -15.506  -8.678 -11.559
   29    H    SER   5           H        SER   5 -14.406 -11.019  -9.764
   30    HA   SER   5           HA       SER   5 -15.751 -10.969  -7.128
   31   1HB   SER   5          2HB       SER   5 -12.828 -11.543  -7.492
   32   2HB   SER   5          1HB       SER   5 -13.913 -12.070  -6.208
   33    HG   SER   5           HG       SER   5 -13.778 -12.966  -8.895
   34    H    GLU   6           H        GLU   6 -13.163 -10.089  -5.938
   35    HA   GLU   6           HA       GLU   6 -13.633  -7.289  -6.072
   36   1HB   GLU   6          2HB       GLU   6 -11.205  -8.761  -5.039
   37   2HB   GLU   6          1HB       GLU   6 -11.597  -7.077  -4.724
   38   1HG   GLU   6          2HG       GLU   6 -13.030  -9.543  -3.747
   39   2HG   GLU   6          1HG       GLU   6 -12.388  -8.192  -2.815
   40    H    GLU   7           H        GLU   7 -11.930  -5.731  -6.677
   41    HA   GLU   7           HA       GLU   7 -10.456  -6.660  -9.078
   42   1HB   GLU   7          2HB       GLU   7 -11.334  -3.808  -8.756
   43   2HB   GLU   7          1HB       GLU   7 -11.008  -4.712 -10.234
   44   1HG   GLU   7          2HG       GLU   7 -13.050  -6.132  -9.661
   45   2HG   GLU   7          1HG       GLU   7 -13.425  -4.925  -8.429
   46    H    VAL   8           H        VAL   8  -8.241  -6.668  -8.454
   47    HA   VAL   8           HA       VAL   8  -7.485  -4.675  -6.468
   48    HB   VAL   8           HB       VAL   8  -5.635  -6.058  -6.003
   49   1HG1  VAL   8          1HG1      VAL   8  -7.895  -7.095  -5.500
   50   2HG1  VAL   8          2HG1      VAL   8  -6.566  -8.246  -5.649
   51   3HG1  VAL   8          3HG1      VAL   8  -7.707  -8.041  -6.977
   52   1HG2  VAL   8          1HG2      VAL   8  -6.119  -7.402  -8.684
   53   2HG2  VAL   8          2HG2      VAL   8  -4.853  -7.837  -7.535
   54   3HG2  VAL   8          3HG2      VAL   8  -4.821  -6.262  -8.327
   55    H    LEU   9           H        LEU   9  -5.619  -3.383  -6.823
   56    HA   LEU   9           HA       LEU   9  -5.470  -2.557  -9.630
   57   1HB   LEU   9          2HB       LEU   9  -6.050  -0.869  -7.992
   58   2HB   LEU   9          1HB       LEU   9  -4.586  -1.215  -7.071
   59    HG   LEU   9           HG       LEU   9  -3.294  -0.639  -9.204
   60   1HD1  LEU   9          1HD1      LEU   9  -5.826  -0.614 -10.314
   61   2HD1  LEU   9          2HD1      LEU   9  -4.395   0.114 -11.044
   62   3HD1  LEU   9          3HD1      LEU   9  -5.495   1.103 -10.082
   63   1HD2  LEU   9          1HD2      LEU   9  -4.597   1.070  -7.232
   64   2HD2  LEU   9          2HD2      LEU   9  -4.278   1.937  -8.734
   65   3HD2  LEU   9          3HD2      LEU   9  -2.954   1.155  -7.868
   66    H    LEU  10           H        LEU  10  -3.098  -3.558  -7.033
   67    HA   LEU  10           HA       LEU  10  -1.330  -4.376  -9.148
   68   1HB   LEU  10          2HB       LEU  10  -0.886  -2.025  -9.387
   69   2HB   LEU  10          1HB       LEU  10  -0.717  -1.823  -7.644
   70    HG   LEU  10           HG       LEU  10   1.047  -3.826  -8.984
   71   1HD1  LEU  10          1HD1      LEU  10   2.506  -2.262  -9.919
   72   2HD1  LEU  10          2HD1      LEU  10   1.877  -0.939  -8.937
   73   3HD1  LEU  10          3HD1      LEU  10   0.938  -1.550 -10.299
   74   1HD2  LEU  10          1HD2      LEU  10   0.792  -2.684  -6.439
   75   2HD2  LEU  10          2HD2      LEU  10   2.217  -1.906  -7.129
   76   3HD2  LEU  10          3HD2      LEU  10   2.141  -3.664  -7.013
   77    H    ILE  11           H        ILE  11   0.534  -5.512  -8.315
   78    HA   ILE  11           HA       ILE  11   0.485  -5.849  -5.383
   79    HB   ILE  11           HB       ILE  11  -0.448  -7.868  -6.087
   80   1HG1  ILE  11          2HG1      ILE  11   1.911  -8.095  -4.958
   81   2HG1  ILE  11          1HG1      ILE  11   1.172  -9.521  -5.673
   82   1HG2  ILE  11          1HG2      ILE  11  -0.394  -7.422  -8.472
   83   2HG2  ILE  11          2HG2      ILE  11   0.274  -9.028  -8.181
   84   3HG2  ILE  11          3HG2      ILE  11   1.352  -7.671  -8.516
   85   1HD1  ILE  11          1HD1      ILE  11   2.711  -8.039  -7.645
   86   2HD1  ILE  11          2HD1      ILE  11   2.830  -9.733  -7.179
   87   3HD1  ILE  11          3HD1      ILE  11   3.704  -8.504  -6.266
   88    H    VAL  12           H        VAL  12   2.478  -5.804  -4.452
   89    HA   VAL  12           HA       VAL  12   4.781  -5.775  -6.293
   90    HB   VAL  12           HB       VAL  12   5.795  -4.293  -4.318
   91   1HG1  VAL  12          1HG1      VAL  12   5.687  -2.554  -5.823
   92   2HG1  VAL  12          2HG1      VAL  12   3.972  -2.801  -6.145
   93   3HG1  VAL  12          3HG1      VAL  12   5.170  -3.863  -6.887
   94   1HG2  VAL  12          1HG2      VAL  12   2.931  -4.275  -3.795
   95   2HG2  VAL  12          2HG2      VAL  12   3.532  -2.668  -4.145
   96   3HG2  VAL  12          3HG2      VAL  12   4.244  -3.608  -2.837
   97    H    LYS  13           H        LYS  13   5.407  -7.804  -6.000
   98    HA   LYS  13           HA       LYS  13   5.415  -9.347  -3.680
   99   1HB   LYS  13          2HB       LYS  13   6.540 -10.885  -4.961
  100   2HB   LYS  13          1HB       LYS  13   5.942  -9.834  -6.234
  101   1HG   LYS  13          2HG       LYS  13   8.680  -9.542  -4.973
  102   2HG   LYS  13          1HG       LYS  13   8.374 -10.429  -6.465
  103   1HD   LYS  13          2HD       LYS  13   7.074  -8.042  -6.927
  104   2HD   LYS  13          1HD       LYS  13   8.493  -7.531  -6.012
  105   1HE   LYS  13          2HE       LYS  13   9.973  -8.252  -7.633
  106   2HE   LYS  13          1HE       LYS  13   8.892  -9.524  -8.202
  107   1HZ   LYS  13          1HZ       LYS  13   8.596  -8.034  -9.823
  108   2HZ   LYS  13          2HZ       LYS  13   8.964  -6.758  -8.931
  109   3HZ   LYS  13          3HZ       LYS  13   7.509  -7.416  -8.823
  110    H    LYS  14           H        LYS  14   7.338  -6.731  -4.541
  111    HA   LYS  14           HA       LYS  14   9.242  -7.417  -2.385
  112   1HB   LYS  14          2HB       LYS  14   9.786  -6.596  -5.050
  113   2HB   LYS  14          1HB       LYS  14  10.190  -5.239  -4.000
  114   1HG   LYS  14          2HG       LYS  14  12.087  -6.856  -4.316
  115   2HG   LYS  14          1HG       LYS  14  11.615  -6.637  -2.629
  116   1HD   LYS  14          2HD       LYS  14  10.603  -8.730  -2.496
  117   2HD   LYS  14          1HD       LYS  14  10.331  -8.822  -4.236
  118   1HE   LYS  14          2HE       LYS  14  12.872  -8.921  -4.489
  119   2HE   LYS  14          1HE       LYS  14  12.938  -9.178  -2.746
  120   1HZ   LYS  14          1HZ       LYS  14  12.135 -11.220  -2.984
  121   2HZ   LYS  14          2HZ       LYS  14  12.642 -11.118  -4.498
  122   3HZ   LYS  14          3HZ       LYS  14  11.105 -10.840  -4.150
  123    H    VAL  15           H        VAL  15   8.847  -6.280  -0.582
  124    HA   VAL  15           HA       VAL  15   8.560  -3.435  -0.896
  125    HB   VAL  15           HB       VAL  15   6.195  -4.990   0.090
  126   1HG1  VAL  15          1HG1      VAL  15   6.628  -2.055   0.631
  127   2HG1  VAL  15          2HG1      VAL  15   7.004  -3.278   1.847
  128   3HG1  VAL  15          3HG1      VAL  15   5.355  -3.102   1.246
  129   1HG2  VAL  15          1HG2      VAL  15   6.936  -3.007  -1.969
  130   2HG2  VAL  15          2HG2      VAL  15   5.349  -2.799  -1.234
  131   3HG2  VAL  15          3HG2      VAL  15   5.757  -4.312  -2.044
  132    H    ARG  16           H        ARG  16   9.117  -2.295   0.898
  133    HA   ARG  16           HA       ARG  16  10.231  -3.888   3.127
  134   1HB   ARG  16          2HB       ARG  16  12.104  -3.050   1.865
  135   2HB   ARG  16          1HB       ARG  16  11.326  -1.499   1.615
  136   1HG   ARG  16          2HG       ARG  16  12.172  -0.695   3.528
  137   2HG   ARG  16          1HG       ARG  16  11.481  -2.032   4.438
  138   1HD   ARG  16          2HD       ARG  16  14.221  -1.750   3.247
  139   2HD   ARG  16          1HD       ARG  16  13.757  -2.357   4.836
  140    HE   ARG  16           HE       ARG  16  12.731  -4.221   3.146
  141   1HH1  ARG  16          1HH2      ARG  16  15.801  -2.688   3.586
  142   2HH1  ARG  16          2HH2      ARG  16  16.705  -4.050   3.014
  143   1HH2  ARG  16          1HH1      ARG  16  13.908  -5.997   2.389
  144   2HH2  ARG  16          2HH1      ARG  16  15.638  -5.916   2.339
  145    H    GLN  17           H        GLN  17   9.737  -3.072   5.124
  146    HA   GLN  17           HA       GLN  17   8.527  -0.409   5.214
  147   1HB   GLN  17          2HB       GLN  17   6.649  -1.460   6.644
  148   2HB   GLN  17          1HB       GLN  17   6.563  -1.725   4.907
  149   1HG   GLN  17          2HG       GLN  17   7.512  -3.900   5.088
  150   2HG   GLN  17          1HG       GLN  17   7.848  -3.654   6.791
  151   1HE2  GLN  17          1HE2      GLN  17   6.502  -5.642   7.090
  152   2HE2  GLN  17          2HE2      GLN  17   4.811  -5.492   7.134
  153    H    LYS  18           H        LYS  18   9.139   0.577   7.081
  154    HA   LYS  18           HA       LYS  18  11.305  -0.004   8.477
  155   1HB   LYS  18          2HB       LYS  18   8.990   1.598   9.041
  156   2HB   LYS  18          1HB       LYS  18   9.569   0.864  10.538
  157   1HG   LYS  18          2HG       LYS  18  11.365   2.221  10.588
  158   2HG   LYS  18          1HG       LYS  18  11.796   1.793   8.932
  159   1HD   LYS  18          2HD       LYS  18  10.034   3.401   8.132
  160   2HD   LYS  18          1HD       LYS  18   9.817   3.915   9.805
  161   1HE   LYS  18          2HE       LYS  18  12.467   4.188   9.682
  162   2HE   LYS  18          1HE       LYS  18  12.124   4.378   7.963
  163   1HZ   LYS  18          1HZ       LYS  18  10.935   5.939  10.122
  164   2HZ   LYS  18          2HZ       LYS  18  10.547   6.085   8.576
  165   3HZ   LYS  18          3HZ       LYS  18  12.020   6.468   9.070
  166    H    LYS  19           H        LYS  19   8.323  -1.802   8.902
  167    HA   LYS  19           HA       LYS  19   9.272  -3.049  11.328
  168   1HB   LYS  19          2HB       LYS  19   7.262  -4.501  11.052
  169   2HB   LYS  19          1HB       LYS  19   6.864  -2.789  11.015
  170   1HG   LYS  19          2HG       LYS  19   7.090  -3.075   8.392
  171   2HG   LYS  19          1HG       LYS  19   6.849  -4.787   8.742
  172   1HD   LYS  19          2HD       LYS  19   4.973  -2.480   9.254
  173   2HD   LYS  19          1HD       LYS  19   4.666  -3.973   8.367
  174   1HE   LYS  19          2HE       LYS  19   5.027  -5.201  10.578
  175   2HE   LYS  19          1HE       LYS  19   4.955  -3.622  11.359
  176   1HZ   LYS  19          1HZ       LYS  19   2.862  -5.104  10.090
  177   2HZ   LYS  19          2HZ       LYS  19   2.820  -3.519   9.882
  178   3HZ   LYS  19          3HZ       LYS  19   2.792  -4.132  11.360
  179    H    GLN  20           H        GLN  20   8.578  -4.265   8.077
  180    HA   GLN  20           HA       GLN  20  10.836  -6.097   8.177
  181   1HB   GLN  20          2HB       GLN  20   8.255  -6.918   8.896
  182   2HB   GLN  20          1HB       GLN  20   8.488  -7.483   7.238
  183   1HG   GLN  20          2HG       GLN  20  10.895  -7.866   8.773
  184   2HG   GLN  20          1HG       GLN  20   9.527  -8.647   9.572
  185   1HE2  GLN  20          1HE2      GLN  20  10.659 -10.732   8.900
  186   2HE2  GLN  20          2HE2      GLN  20  10.409 -11.312   7.325
  187    H    ASP  21           H        ASP  21  10.983  -7.328   6.020
  188    HA   ASP  21           HA       ASP  21  10.066  -5.494   3.886
  189   1HB   ASP  21          2HB       ASP  21  12.055  -7.688   3.380
  190   2HB   ASP  21          1HB       ASP  21  11.944  -6.097   2.615
  191    H    GLY  22           H        GLY  22   8.572  -6.368   2.567
  192   1HA   GLY  22          2HA       GLY  22   8.085  -9.201   2.443
  193   2HA   GLY  22          1HA       GLY  22   6.909  -8.332   3.396
  194    H    ALA  23           H        ALA  23   6.159  -9.646   1.027
  195    HA   ALA  23           HA       ALA  23   6.048  -7.691  -1.042
  196   1HB   ALA  23          1HB       ALA  23   6.129  -9.978  -1.732
  197   2HB   ALA  23          2HB       ALA  23   4.491  -9.423  -2.080
  198   3HB   ALA  23          3HB       ALA  23   4.802 -10.411  -0.655
  199    H    LEU  24           H        LEU  24   4.661  -6.380  -1.416
  200    HA   LEU  24           HA       LEU  24   2.261  -6.105   0.306
  201   1HB   LEU  24          2HB       LEU  24   4.244  -4.303  -0.694
  202   2HB   LEU  24          1HB       LEU  24   2.682  -3.775  -1.296
  203    HG   LEU  24           HG       LEU  24   3.600  -4.127   1.548
  204   1HD1  LEU  24          1HD1      LEU  24   2.205  -1.787   1.344
  205   2HD1  LEU  24          2HD1      LEU  24   2.821  -1.939  -0.299
  206   3HD1  LEU  24          3HD1      LEU  24   3.941  -1.913   1.060
  207   1HD2  LEU  24          1HD2      LEU  24   0.868  -4.379   0.406
  208   2HD2  LEU  24          2HD2      LEU  24   1.024  -3.325   1.812
  209   3HD2  LEU  24          3HD2      LEU  24   1.519  -5.014   1.917
  210    H    TYR  25           H        TYR  25   0.261  -6.221  -0.524
  211    HA   TYR  25           HA       TYR  25  -0.089  -6.483  -3.460
  212   1HB   TYR  25          2HB       TYR  25  -1.415  -7.681  -1.039
  213   2HB   TYR  25          1HB       TYR  25  -2.372  -7.443  -2.496
  214    HD1  TYR  25           HD1      TYR  25   0.252  -9.391  -0.894
  215    HD2  TYR  25           HD2      TYR  25  -1.727  -8.557  -4.613
  216    HE1  TYR  25           HE1      TYR  25   1.154 -11.503  -1.832
  217    HE2  TYR  25           HE2      TYR  25  -0.830 -10.677  -5.558
  218    HH   TYR  25           HH       TYR  25   1.548 -12.204  -4.717
  219    H    LEU  26           H        LEU  26  -1.499  -4.787  -4.408
  220    HA   LEU  26           HA       LEU  26  -2.780  -3.130  -2.350
  221   1HB   LEU  26          2HB       LEU  26  -1.182  -2.534  -4.714
  222   2HB   LEU  26          1HB       LEU  26  -2.766  -1.760  -4.790
  223    HG   LEU  26           HG       LEU  26  -2.429  -0.663  -2.687
  224   1HD1  LEU  26          1HD1      LEU  26  -1.433  -2.310  -1.328
  225   2HD1  LEU  26          2HD1      LEU  26  -0.163  -1.097  -1.501
  226   3HD1  LEU  26          3HD1      LEU  26  -0.110  -2.575  -2.463
  227   1HD2  LEU  26          1HD2      LEU  26  -0.099   0.421  -3.089
  228   2HD2  LEU  26          2HD2      LEU  26  -1.321   0.599  -4.349
  229   3HD2  LEU  26          3HD2      LEU  26  -0.037  -0.598  -4.527
  230    H    MET  27           H        MET  27  -4.969  -2.946  -2.484
  231    HA   MET  27           HA       MET  27  -6.281  -4.133  -4.845
  232   1HB   MET  27          2HB       MET  27  -6.467  -5.389  -2.575
  233   2HB   MET  27          1HB       MET  27  -7.485  -4.040  -2.075
  234   1HG   MET  27          2HG       MET  27  -9.210  -4.652  -3.447
  235   2HG   MET  27          1HG       MET  27  -8.130  -5.240  -4.711
  236   1HE   MET  27          1HE       MET  27  -6.378  -6.850  -4.048
  237   2HE   MET  27          2HE       MET  27  -6.939  -8.509  -3.853
  238   3HE   MET  27          3HE       MET  27  -6.353  -7.615  -2.453
  239    H    ALA  28           H        ALA  28  -8.097  -2.865  -5.608
  240    HA   ALA  28           HA       ALA  28  -7.929  -0.139  -5.476
  241   1HB   ALA  28          1HB       ALA  28 -10.642  -0.452  -5.628
  242   2HB   ALA  28          2HB       ALA  28 -10.096  -2.076  -6.064
  243   3HB   ALA  28          3HB       ALA  28  -9.549  -0.677  -6.994
  244    H    GLU  29           H        GLU  29 -10.226  -2.025  -3.513
  245    HA   GLU  29           HA       GLU  29 -10.632   0.227  -1.779
  246   1HB   GLU  29          2HB       GLU  29 -12.543  -1.065  -2.242
  247   2HB   GLU  29          1HB       GLU  29 -11.690  -2.577  -1.940
  248   1HG   GLU  29          2HG       GLU  29 -11.891  -2.395   0.358
  249   2HG   GLU  29          1HG       GLU  29 -11.921  -0.633   0.329
  250    H    ARG  30           H        ARG  30  -8.112  -2.115  -1.639
  251    HA   ARG  30           HA       ARG  30  -7.685  -1.256   1.088
  252   1HB   ARG  30          2HB       ARG  30  -8.034  -3.213   2.244
  253   2HB   ARG  30          1HB       ARG  30  -9.351  -3.265   1.086
  254   1HG   ARG  30          2HG       ARG  30  -7.169  -4.485  -0.207
  255   2HG   ARG  30          1HG       ARG  30  -7.151  -5.104   1.448
  256   1HD   ARG  30          2HD       ARG  30  -8.615  -6.531   0.139
  257   2HD   ARG  30          1HD       ARG  30  -9.617  -5.567   1.217
  258    HE   ARG  30           HE       ARG  30  -9.330  -4.124  -1.168
  259   1HH1  ARG  30          1HH2      ARG  30 -10.569  -7.157  -0.063
  260   2HH1  ARG  30          2HH2      ARG  30 -11.767  -7.266  -1.308
  261   1HH2  ARG  30          1HH1      ARG  30 -10.895  -4.254  -2.786
  262   2HH2  ARG  30          2HH1      ARG  30 -11.950  -5.626  -2.849
  263    H    ILE  31           H        ILE  31  -5.752  -2.194   2.040
  264    HA   ILE  31           HA       ILE  31  -3.725  -2.756  -0.052
  265    HB   ILE  31           HB       ILE  31  -3.745  -1.137   2.454
  266   1HG1  ILE  31          2HG1      ILE  31  -2.318  -1.047  -0.218
  267   2HG1  ILE  31          1HG1      ILE  31  -3.637  -0.015   0.331
  268   1HG2  ILE  31          1HG2      ILE  31  -1.375  -1.408   2.885
  269   2HG2  ILE  31          2HG2      ILE  31  -1.207  -2.523   1.529
  270   3HG2  ILE  31          3HG2      ILE  31  -2.121  -3.004   2.958
  271   1HD1  ILE  31          1HD1      ILE  31  -0.866  -0.129   1.554
  272   2HD1  ILE  31          2HD1      ILE  31  -2.187   0.902   2.106
  273   3HD1  ILE  31          3HD1      ILE  31  -1.474   1.158   0.513
  274    H    ALA  32           H        ALA  32  -2.434  -4.628   0.223
  275    HA   ALA  32           HA       ALA  32  -3.061  -6.253   2.611
  276   1HB   ALA  32          1HB       ALA  32  -3.365  -6.901  -0.261
  277   2HB   ALA  32          2HB       ALA  32  -4.253  -7.517   1.132
  278   3HB   ALA  32          3HB       ALA  32  -2.657  -8.162   0.749
  279    H    TRP  33           H        TRP  33  -1.408  -7.458   3.448
  280    HA   TRP  33           HA       TRP  33   1.211  -7.055   2.101
  281   1HB   TRP  33          2HB       TRP  33   0.898  -5.788   4.267
  282   2HB   TRP  33          1HB       TRP  33   0.857  -7.349   5.066
  283    HD1  TRP  33           HD1      TRP  33   3.094  -6.343   2.129
  284    HE1  TRP  33           HE1      TRP  33   5.531  -6.568   2.921
  285    HE3  TRP  33           HE3      TRP  33   2.427  -7.750   6.988
  286    HZ2  TRP  33           HZ2      TRP  33   7.021  -7.266   5.159
  287    HZ3  TRP  33           HZ3      TRP  33   4.383  -8.246   8.407
  288    HH2  TRP  33           HH2      TRP  33   6.689  -8.024   7.506
  289    H    ALA  34           H        ALA  34   2.565  -8.768   1.986
  290    HA   ALA  34           HA       ALA  34   1.931 -11.228   3.375
  291   1HB   ALA  34          1HB       ALA  34   2.336 -12.062   0.726
  292   2HB   ALA  34          2HB       ALA  34   1.109 -10.794   0.677
  293   3HB   ALA  34          3HB       ALA  34   0.876 -12.210   1.705
  294    HA   PRO  35           HA       PRO  35   6.271 -11.414   2.590
  295   1HB   PRO  35          2HB       PRO  35   6.838 -11.921   5.345
  296   2HB   PRO  35          1HB       PRO  35   6.995 -10.382   4.488
  297   1HG   PRO  35          2HG       PRO  35   5.058 -11.083   6.486
  298   2HG   PRO  35          1HG       PRO  35   5.194  -9.567   5.592
  299   1HD   PRO  35          2HD       PRO  35   3.252 -11.689   5.250
  300   2HD   PRO  35          1HD       PRO  35   3.290 -10.090   4.484
  301    H    GLU  36           H        GLU  36   7.786 -13.154   4.418
  302    HA   GLU  36           HA       GLU  36   6.935 -15.706   3.282
  303   1HB   GLU  36          2HB       GLU  36   9.388 -14.690   3.515
  304   2HB   GLU  36          1HB       GLU  36   9.292 -15.456   5.102
  305   1HG   GLU  36          2HG       GLU  36   8.265 -17.220   3.036
  306   2HG   GLU  36          1HG       GLU  36   9.917 -16.717   2.675
  307    H    GLY  37           H        GLY  37   5.187 -14.626   5.268
  308   1HA   GLY  37          2HA       GLY  37   5.722 -15.641   7.858
  309   2HA   GLY  37          1HA       GLY  37   4.124 -15.246   7.221
  310    H    LYS  38           H        LYS  38   2.779 -16.988   7.218
  311    HA   LYS  38           HA       LYS  38   3.783 -19.492   6.150
  312   1HB   LYS  38          2HB       LYS  38   3.106 -20.821   8.100
  313   2HB   LYS  38          1HB       LYS  38   4.339 -19.648   8.561
  314   1HG   LYS  38          2HG       LYS  38   2.784 -18.253   9.646
  315   2HG   LYS  38          1HG       LYS  38   1.412 -18.977   8.807
  316   1HD   LYS  38          2HD       LYS  38   1.367 -19.848  11.041
  317   2HD   LYS  38          1HD       LYS  38   1.974 -21.147  10.013
  318   1HE   LYS  38          2HE       LYS  38   4.301 -20.495  10.605
  319   2HE   LYS  38          1HE       LYS  38   3.657 -19.263  11.690
  320   1HZ   LYS  38          1HZ       LYS  38   2.415 -21.215  12.681
  321   2HZ   LYS  38          2HZ       LYS  38   3.970 -21.072  13.031
  322   3HZ   LYS  38          3HZ       LYS  38   3.492 -22.143  11.943
  323    H    ASP  39           H        ASP  39   2.007 -17.942   4.890
  324    HA   ASP  39           HA       ASP  39  -0.285 -19.640   4.761
  325   1HB   ASP  39          2HB       ASP  39  -0.869 -18.000   6.625
  326   2HB   ASP  39          1HB       ASP  39  -0.688 -16.704   5.442
  327    H    ARG  40           H        ARG  40  -1.153 -16.637   3.572
  328    HA   ARG  40           HA       ARG  40   0.613 -16.767   1.270
  329   1HB   ARG  40          2HB       ARG  40  -2.179 -16.146   0.597
  330   2HB   ARG  40          1HB       ARG  40  -1.012 -17.134  -0.278
  331   1HG   ARG  40          2HG       ARG  40  -1.366 -18.931   1.489
  332   2HG   ARG  40          1HG       ARG  40  -2.723 -17.969   2.077
  333   1HD   ARG  40          2HD       ARG  40  -2.832 -18.274  -0.804
  334   2HD   ARG  40          1HD       ARG  40  -2.778 -19.847  -0.013
  335    HE   ARG  40           HE       ARG  40  -5.018 -18.179  -0.160
  336   1HH1  ARG  40          1HH2      ARG  40  -3.200 -19.920   2.222
  337   2HH1  ARG  40          2HH2      ARG  40  -4.465 -19.861   3.398
  338   1HH2  ARG  40          1HH1      ARG  40  -6.665 -18.132   1.362
  339   2HH2  ARG  40          2HH1      ARG  40  -6.421 -18.863   2.913
  340    H    PHE  41           H        PHE  41  -2.065 -15.166   2.804
  341    HA   PHE  41           HA       PHE  41  -0.898 -12.556   2.091
  342   1HB   PHE  41          2HB       PHE  41  -3.697 -13.465   2.741
  343   2HB   PHE  41          1HB       PHE  41  -3.240 -11.764   2.873
  344    HD1  PHE  41           HD1      PHE  41  -3.836 -14.566   0.594
  345    HD2  PHE  41           HD2      PHE  41  -2.484 -10.500   0.901
  346    HE1  PHE  41           HE1      PHE  41  -4.031 -14.320  -1.865
  347    HE2  PHE  41           HE2      PHE  41  -2.681 -10.253  -1.564
  348    HZ   PHE  41           HZ       PHE  41  -3.451 -12.169  -2.941
  349    H    THR  42           H        THR  42  -0.775 -10.956   3.815
  350    HA   THR  42           HA       THR  42  -0.868 -12.167   6.503
  351    HB   THR  42           HB       THR  42   1.439 -11.467   5.087
  352    HG1  THR  42           HG1      THR  42   1.032 -11.738   7.875
  353   1HG2  THR  42          1HG2      THR  42   2.408  -9.707   6.651
  354   2HG2  THR  42          2HG2      THR  42   0.749  -9.325   7.102
  355   3HG2  THR  42          3HG2      THR  42   1.280  -9.123   5.430
  356    H    ILE  43           H        ILE  43  -1.712  -9.531   4.482
  357    HA   ILE  43           HA       ILE  43  -2.973  -8.264   6.800
  358    HB   ILE  43           HB       ILE  43  -0.536  -7.302   5.673
  359   1HG1  ILE  43          2HG1      ILE  43  -2.360  -6.648   7.944
  360   2HG1  ILE  43          1HG1      ILE  43  -0.705  -7.259   7.983
  361   1HG2  ILE  43          1HG2      ILE  43  -2.123  -5.988   4.176
  362   2HG2  ILE  43          2HG2      ILE  43  -1.058  -5.004   5.171
  363   3HG2  ILE  43          3HG2      ILE  43  -2.741  -5.232   5.641
  364   1HD1  ILE  43          1HD1      ILE  43  -0.341  -4.889   6.695
  365   2HD1  ILE  43          2HD1      ILE  43  -0.174  -5.091   8.445
  366   3HD1  ILE  43          3HD1      ILE  43  -1.686  -4.488   7.764
  367    H    SER  44           H        SER  44  -4.546  -6.710   6.267
  368    HA   SER  44           HA       SER  44  -5.115  -6.068   3.548
  369   1HB   SER  44          2HB       SER  44  -6.963  -8.000   4.972
  370   2HB   SER  44          1HB       SER  44  -7.319  -7.204   3.442
  371    HG   SER  44           HG       SER  44  -6.026  -9.447   3.801
  372    H    HIS  45           H        HIS  45  -5.380  -3.915   4.123
  373    HA   HIS  45           HA       HIS  45  -7.383  -3.365   6.233
  374   1HB   HIS  45          2HB       HIS  45  -6.005  -1.003   5.375
  375   2HB   HIS  45          1HB       HIS  45  -6.067  -1.709   6.986
  376    HD1  HIS  45           HD1      HIS  45  -3.805  -2.211   7.854
  377    HD2  HIS  45           HD2      HIS  45  -3.952  -2.606   3.715
  378    HE1  HIS  45           HE1      HIS  45  -1.453  -2.774   7.104
  379    H    MET  46           H        MET  46  -9.309  -2.852   5.380
  380    HA   MET  46           HA       MET  46  -9.638  -2.152   2.636
  381   1HB   MET  46          2HB       MET  46 -11.323  -2.855   4.823
  382   2HB   MET  46          1HB       MET  46 -11.900  -1.330   4.157
  383   1HG   MET  46          2HG       MET  46 -12.477  -2.266   2.151
  384   2HG   MET  46          1HG       MET  46 -11.136  -3.411   2.183
  385   1HE   MET  46          1HE       MET  46 -11.121  -5.401   2.515
  386   2HE   MET  46          2HE       MET  46 -12.599  -5.918   1.709
  387   3HE   MET  46          3HE       MET  46 -12.236  -6.508   3.329
  388    H    TYR  47           H        TYR  47  -9.148  -0.263   1.817
  389    HA   TYR  47           HA       TYR  47  -8.296   2.007   3.042
  390   1HB   TYR  47          2HB       TYR  47  -9.795   1.568   0.470
  391   2HB   TYR  47          1HB       TYR  47  -9.438   3.214   0.994
  392    HD1  TYR  47           HD1      TYR  47  -6.883   1.256   2.417
  393    HD2  TYR  47           HD2      TYR  47  -8.141   2.727  -1.437
  394    HE1  TYR  47           HE1      TYR  47  -4.577   1.070   1.571
  395    HE2  TYR  47           HE2      TYR  47  -5.840   2.539  -2.245
  396    HH   TYR  47           HH       TYR  47  -3.183   2.102  -0.222
  397    H    ALA  48           H        ALA  48 -11.801   1.259   2.479
  398    HA   ALA  48           HA       ALA  48 -12.676   3.690   3.749
  399   1HB   ALA  48          1HB       ALA  48 -14.056   2.165   2.224
  400   2HB   ALA  48          2HB       ALA  48 -14.866   2.709   3.693
  401   3HB   ALA  48          3HB       ALA  48 -14.203   1.076   3.604
  402    H    ASP  49           H        ASP  49 -11.915   0.502   4.716
  403    HA   ASP  49           HA       ASP  49 -12.731   0.567   7.459
  404   1HB   ASP  49          2HB       ASP  49 -10.765  -1.166   5.948
  405   2HB   ASP  49          1HB       ASP  49 -11.166  -1.410   7.647
  406    H    ILE  50           H        ILE  50 -10.437   2.313   5.914
  407    HA   ILE  50           HA       ILE  50  -8.993   2.806   8.420
  408    HB   ILE  50           HB       ILE  50  -6.808   2.748   7.169
  409   1HG1  ILE  50          2HG1      ILE  50  -7.146   1.104   5.080
  410   2HG1  ILE  50          1HG1      ILE  50  -8.707   1.923   5.031
  411   1HG2  ILE  50          1HG2      ILE  50  -6.516   0.555   7.757
  412   2HG2  ILE  50          2HG2      ILE  50  -7.918   0.021   6.832
  413   3HG2  ILE  50          3HG2      ILE  50  -8.137   0.741   8.426
  414   1HD1  ILE  50          1HD1      ILE  50  -6.449   3.750   5.448
  415   2HD1  ILE  50          2HD1      ILE  50  -7.795   3.866   4.317
  416   3HD1  ILE  50          3HD1      ILE  50  -6.385   2.887   3.912
  417    H    LYS  51           H        LYS  51  -8.352   5.142   8.527
  418    HA   LYS  51           HA       LYS  51  -8.563   6.482   5.933
  419   1HB   LYS  51          2HB       LYS  51 -10.783   6.550   7.353
  420   2HB   LYS  51          1HB       LYS  51  -9.926   7.852   8.186
  421   1HG   LYS  51          2HG       LYS  51 -10.097   7.690   5.176
  422   2HG   LYS  51          1HG       LYS  51 -11.271   8.590   6.143
  423   1HD   LYS  51          2HD       LYS  51  -8.269   9.057   6.010
  424   2HD   LYS  51          1HD       LYS  51  -9.531  10.118   5.385
  425   1HE   LYS  51          2HE       LYS  51 -10.230   9.687   8.067
  426   2HE   LYS  51          1HE       LYS  51  -8.484   9.929   8.084
  427   1HZ   LYS  51          1HZ       LYS  51  -9.020  11.873   6.597
  428   2HZ   LYS  51          2HZ       LYS  51  -9.361  12.035   8.152
  429   3HZ   LYS  51          3HZ       LYS  51 -10.532  11.732   7.104
  430    H    CYS  52           H        CYS  52  -6.629   7.181   5.821
  431    HA   CYS  52           HA       CYS  52  -5.791   9.521   6.976
  432   1HB   CYS  52          2HB       CYS  52  -5.195   7.144   8.549
  433   2HB   CYS  52          1HB       CYS  52  -3.775   8.120   8.193
  434    HG   CYS  52           HG       CYS  52  -6.251   9.596   9.352
  435    H    GLN  53           H        GLN  53  -4.185  10.200   5.571
  436    HA   GLN  53           HA       GLN  53  -2.603   8.063   4.298
  437   1HB   GLN  53          2HB       GLN  53  -4.520   9.922   2.974
  438   2HB   GLN  53          1HB       GLN  53  -3.040   9.494   2.110
  439   1HG   GLN  53          2HG       GLN  53  -4.292   7.181   3.377
  440   2HG   GLN  53          1HG       GLN  53  -5.355   7.962   2.214
  441   1HE2  GLN  53          1HE2      GLN  53  -4.892   5.802   1.008
  442   2HE2  GLN  53          2HE2      GLN  53  -3.524   5.764   0.005
  443    H    LYS  54           H        LYS  54  -0.606   8.526   4.337
  444    HA   LYS  54           HA       LYS  54   0.309  11.337   4.257
  445   1HB   LYS  54          2HB       LYS  54   0.567   9.328   6.291
  446   2HB   LYS  54          1HB       LYS  54   2.162   9.635   5.615
  447   1HG   LYS  54          2HG       LYS  54   0.242  11.703   6.720
  448   2HG   LYS  54          1HG       LYS  54   1.730  11.150   7.485
  449   1HD   LYS  54          2HD       LYS  54   2.039  12.127   4.708
  450   2HD   LYS  54          1HD       LYS  54   1.583  13.357   5.887
  451   1HE   LYS  54          2HE       LYS  54   3.472  12.657   7.331
  452   2HE   LYS  54          1HE       LYS  54   3.944  11.468   6.117
  453   1HZ   LYS  54          1HZ       LYS  54   3.787  14.342   5.646
  454   2HZ   LYS  54          2HZ       LYS  54   4.284  13.246   4.592
  455   3HZ   LYS  54          3HZ       LYS  54   5.147  13.538   5.908
  456    H    ILE  55           H        ILE  55   1.362  11.500   2.252
  457    HA   ILE  55           HA       ILE  55   3.334   9.410   1.675
  458    HB   ILE  55           HB       ILE  55   2.347   9.700  -0.821
  459   1HG1  ILE  55          2HG1      ILE  55  -0.143   9.532  -0.661
  460   2HG1  ILE  55          1HG1      ILE  55  -0.032   9.917   1.056
  461   1HG2  ILE  55          1HG2      ILE  55   2.456   7.494  -0.366
  462   2HG2  ILE  55          2HG2      ILE  55   0.789   7.639   0.193
  463   3HG2  ILE  55          3HG2      ILE  55   2.119   7.756   1.345
  464   1HD1  ILE  55          1HD1      ILE  55  -0.539  11.930  -0.294
  465   2HD1  ILE  55          2HD1      ILE  55   0.954  11.688  -1.200
  466   3HD1  ILE  55          3HD1      ILE  55   1.018  12.075   0.519
  467    H    SER  56           H        SER  56   5.035  10.818   1.790
  468    HA   SER  56           HA       SER  56   4.970  13.048  -0.144
  469   1HB   SER  56          2HB       SER  56   5.092  13.557   2.420
  470   2HB   SER  56          1HB       SER  56   6.766  13.032   2.263
  471    HG   SER  56           HG       SER  56   6.415  15.315   1.918
  472    HA   PRO  57           HA       PRO  57   8.775  10.229  -0.335
  473   1HB   PRO  57          2HB       PRO  57   7.947   8.355  -2.311
  474   2HB   PRO  57          1HB       PRO  57   8.382   8.080  -0.622
  475   1HG   PRO  57          2HG       PRO  57   5.774   7.976  -1.816
  476   2HG   PRO  57          1HG       PRO  57   6.222   7.572  -0.169
  477   1HD   PRO  57          2HD       PRO  57   4.820   9.911  -1.073
  478   2HD   PRO  57          1HD       PRO  57   5.304   9.490   0.578
  479    H    GLU  58           H        GLU  58   8.330  12.596  -1.545
  480    HA   GLU  58           HA       GLU  58   8.812  12.102  -4.414
  481   1HB   GLU  58          2HB       GLU  58   6.970  13.726  -3.668
  482   2HB   GLU  58          1HB       GLU  58   8.270  14.770  -3.092
  483   1HG   GLU  58          2HG       GLU  58   8.194  15.601  -5.216
  484   2HG   GLU  58          1HG       GLU  58   9.179  14.186  -5.589
  485    H    GLY  59           H        GLY  59  10.165  13.178  -1.399
  486   1HA   GLY  59          2HA       GLY  59  12.782  13.361  -2.641
  487   2HA   GLY  59          1HA       GLY  59  12.236  14.764  -1.704
  488    H    LYS  60           H        LYS  60  11.136  11.548  -0.938
  489    HA   LYS  60           HA       LYS  60  12.273  11.851   1.731
  490   1HB   LYS  60          2HB       LYS  60  10.325   9.807   0.609
  491   2HB   LYS  60          1HB       LYS  60  10.722  10.042   2.316
  492   1HG   LYS  60          2HG       LYS  60   9.775  12.387   0.708
  493   2HG   LYS  60          1HG       LYS  60   8.599  11.218   1.310
  494   1HD   LYS  60          2HD       LYS  60   8.953  11.786   3.512
  495   2HD   LYS  60          1HD       LYS  60  10.649  12.190   3.244
  496   1HE   LYS  60          2HE       LYS  60  10.148  14.331   2.441
  497   2HE   LYS  60          1HE       LYS  60   8.496  13.889   2.012
  498   1HZ   LYS  60          1HZ       LYS  60   7.837  14.114   4.142
  499   2HZ   LYS  60          2HZ       LYS  60   9.000  15.213   4.152
  500   3HZ   LYS  60          3HZ       LYS  60   9.262  13.766   4.783
  501    H    ALA  61           H        ALA  61  12.451   9.349   2.612
  502    HA   ALA  61           HA       ALA  61  15.015   8.498   2.099
  503   1HB   ALA  61          1HB       ALA  61  13.601   7.610   3.936
  504   2HB   ALA  61          2HB       ALA  61  14.354   6.313   3.008
  505   3HB   ALA  61          3HB       ALA  61  12.654   6.708   2.753
  506    H    LYS  62           H        LYS  62  12.189   6.689   0.823
  507    HA   LYS  62           HA       LYS  62  13.117   6.847  -1.850
  508   1HB   LYS  62          2HB       LYS  62  13.385   4.089  -1.591
  509   2HB   LYS  62          1HB       LYS  62  14.676   5.230  -1.897
  510   1HG   LYS  62          2HG       LYS  62  15.273   5.334   0.395
  511   2HG   LYS  62          1HG       LYS  62  13.701   4.714   0.920
  512   1HD   LYS  62          2HD       LYS  62  14.336   2.553   0.659
  513   2HD   LYS  62          1HD       LYS  62  15.173   2.884  -0.859
  514   1HE   LYS  62          2HE       LYS  62  17.179   3.197   0.171
  515   2HE   LYS  62          1HE       LYS  62  16.453   4.041   1.539
  516   1HZ   LYS  62          1HZ       LYS  62  15.567   1.663   1.985
  517   2HZ   LYS  62          2HZ       LYS  62  17.015   2.106   2.500
  518   3HZ   LYS  62          3HZ       LYS  62  16.875   1.225   1.172
  519    H    ILE  63           H        ILE  63  10.523   7.271  -1.004
  520    HA   ILE  63           HA       ILE  63   8.525   6.710  -1.735
  521    HB   ILE  63           HB       ILE  63   8.132   5.229  -3.351
  522   1HG1  ILE  63          2HG1      ILE  63   9.605   3.338  -1.676
  523   2HG1  ILE  63          1HG1      ILE  63   8.413   3.013  -2.928
  524   1HG2  ILE  63          1HG2      ILE  63  10.232   6.726  -3.655
  525   2HG2  ILE  63          2HG2      ILE  63   9.905   5.472  -4.849
  526   3HG2  ILE  63          3HG2      ILE  63  11.133   5.209  -3.608
  527   1HD1  ILE  63          1HD1      ILE  63  10.104   3.039  -4.648
  528   2HD1  ILE  63          2HD1      ILE  63  10.729   2.033  -3.353
  529   3HD1  ILE  63          3HD1      ILE  63  11.309   3.675  -3.547
  530    H    GLN  64           H        GLN  64   8.294   6.843   0.456
  531    HA   GLN  64           HA       GLN  64   7.265   4.316   1.657
  532   1HB   GLN  64          2HB       GLN  64   7.619   6.071   3.794
  533   2HB   GLN  64          1HB       GLN  64   8.655   4.706   3.397
  534   1HG   GLN  64          2HG       GLN  64   9.956   6.250   1.868
  535   2HG   GLN  64          1HG       GLN  64   9.007   7.587   2.515
  536   1HE2  GLN  64          1HE2      GLN  64  10.213   4.772   4.392
  537   2HE2  GLN  64          2HE2      GLN  64  11.225   5.685   5.401
  538    H    LEU  65           H        LEU  65   5.122   4.366   2.291
  539    HA   LEU  65           HA       LEU  65   3.856   7.028   2.257
  540   1HB   LEU  65          2HB       LEU  65   1.774   5.934   1.439
  541   2HB   LEU  65          1HB       LEU  65   3.109   5.858   0.297
  542    HG   LEU  65           HG       LEU  65   1.793   3.735   0.500
  543   1HD1  LEU  65          1HD1      LEU  65   3.656   2.740  -0.201
  544   2HD1  LEU  65          2HD1      LEU  65   4.296   2.698   1.439
  545   3HD1  LEU  65          3HD1      LEU  65   4.587   4.104   0.414
  546   1HD2  LEU  65          1HD2      LEU  65   1.592   4.074   3.082
  547   2HD2  LEU  65          2HD2      LEU  65   3.150   3.255   3.127
  548   3HD2  LEU  65          3HD2      LEU  65   1.750   2.441   2.436
  549    H    GLN  66           H        GLN  66   1.771   7.082   3.586
  550    HA   GLN  66           HA       GLN  66   1.853   5.176   5.826
  551   1HB   GLN  66          2HB       GLN  66   2.792   7.879   5.930
  552   2HB   GLN  66          1HB       GLN  66   1.328   7.752   6.906
  553   1HG   GLN  66          2HG       GLN  66   2.250   5.945   8.199
  554   2HG   GLN  66          1HG       GLN  66   3.635   5.802   7.116
  555   1HE2  GLN  66          1HE2      GLN  66   2.093   8.660   8.705
  556   2HE2  GLN  66          2HE2      GLN  66   3.531   9.222   9.412
  557    H    LEU  67           H        LEU  67  -0.109   4.683   6.576
  558    HA   LEU  67           HA       LEU  67  -2.443   6.348   5.863
  559   1HB   LEU  67          2HB       LEU  67  -2.325   4.655   4.122
  560   2HB   LEU  67          1HB       LEU  67  -2.077   3.383   5.315
  561    HG   LEU  67           HG       LEU  67  -4.452   4.716   6.077
  562   1HD1  LEU  67          1HD1      LEU  67  -4.911   3.783   3.294
  563   2HD1  LEU  67          2HD1      LEU  67  -4.115   5.346   3.465
  564   3HD1  LEU  67          3HD1      LEU  67  -5.702   5.081   4.189
  565   1HD2  LEU  67          1HD2      LEU  67  -5.240   2.558   6.120
  566   2HD2  LEU  67          2HD2      LEU  67  -3.538   2.167   5.888
  567   3HD2  LEU  67          3HD2      LEU  67  -4.629   2.201   4.504
  568    H    VAL  68           H        VAL  68  -4.184   6.102   7.401
  569    HA   VAL  68           HA       VAL  68  -3.440   4.375   9.665
  570    HB   VAL  68           HB       VAL  68  -4.878   6.950  10.202
  571   1HG1  VAL  68          1HG1      VAL  68  -4.884   5.402  12.021
  572   2HG1  VAL  68          2HG1      VAL  68  -3.605   6.558  12.383
  573   3HG1  VAL  68          3HG1      VAL  68  -3.195   4.971  11.736
  574   1HG2  VAL  68          1HG2      VAL  68  -2.471   7.041   9.007
  575   2HG2  VAL  68          2HG2      VAL  68  -1.963   6.722  10.666
  576   3HG2  VAL  68          3HG2      VAL  68  -2.923   8.156  10.298
  577    H    LEU  69           H        LEU  69  -5.078   3.741  10.973
  578    HA   LEU  69           HA       LEU  69  -7.453   2.998   9.472
  579   1HB   LEU  69          2HB       LEU  69  -6.457   2.201  12.222
  580   2HB   LEU  69          1HB       LEU  69  -7.624   1.317  11.263
  581    HG   LEU  69           HG       LEU  69  -4.727   1.151  11.227
  582   1HD1  LEU  69          1HD1      LEU  69  -5.694  -0.908  11.107
  583   2HD1  LEU  69          2HD1      LEU  69  -5.410  -0.623   9.386
  584   3HD1  LEU  69          3HD1      LEU  69  -7.012  -0.345  10.079
  585   1HD2  LEU  69          1HD2      LEU  69  -4.687   0.976   8.605
  586   2HD2  LEU  69          2HD2      LEU  69  -4.380   2.514   9.406
  587   3HD2  LEU  69          3HD2      LEU  69  -5.967   2.179   8.716
  588    H    HIS  70           H        HIS  70  -9.597   3.586  10.172
  589    HA   HIS  70           HA       HIS  70 -10.009   6.026  11.427
  590   1HB   HIS  70          2HB       HIS  70 -12.260   4.955  12.180
  591   2HB   HIS  70          1HB       HIS  70 -11.940   5.058  10.449
  592    HD1  HIS  70           HD1      HIS  70 -11.778   2.573  13.316
  593    HD2  HIS  70           HD2      HIS  70 -11.819   2.596   9.148
  594    HE1  HIS  70           HE1      HIS  70 -12.001   0.157  12.588
  595    H    ALA  71           H        ALA  71  -9.329   2.898  12.648
  596    HA   ALA  71           HA       ALA  71  -9.706   3.538  15.442
  597   1HB   ALA  71          1HB       ALA  71  -9.569   1.178  14.115
  598   2HB   ALA  71          2HB       ALA  71  -9.199   1.332  15.833
  599   3HB   ALA  71          3HB       ALA  71  -7.893   1.318  14.648
  600    H    GLY  72           H        GLY  72  -7.147   2.412  16.289
  601   1HA   GLY  72          2HA       GLY  72  -5.471   4.758  15.719
  602   2HA   GLY  72          1HA       GLY  72  -5.428   3.818  17.214
  603    H    ASP  73           H        ASP  73  -5.317   3.016  13.822
  604    HA   ASP  73           HA       ASP  73  -2.763   1.616  14.357
  605   1HB   ASP  73          2HB       ASP  73  -5.223   0.607  12.954
  606   2HB   ASP  73          1HB       ASP  73  -3.634  -0.031  12.531
  607    H    THR  74           H        THR  74  -1.196   2.110  12.980
  608    HA   THR  74           HA       THR  74  -1.936   3.762  10.650
  609    HB   THR  74           HB       THR  74   0.900   3.566  11.471
  610    HG1  THR  74           HG1      THR  74   0.655   4.440  13.380
  611   1HG2  THR  74          1HG2      THR  74  -0.173   6.216  11.385
  612   2HG2  THR  74          2HG2      THR  74  -0.825   5.311  10.020
  613   3HG2  THR  74          3HG2      THR  74   0.920   5.443  10.236
  614    H    THR  75           H        THR  75  -0.469   3.398   8.700
  615    HA   THR  75           HA       THR  75   0.548   0.658   8.599
  616    HB   THR  75           HB       THR  75  -1.142   1.752   6.361
  617    HG1  THR  75           HG1      THR  75  -2.844   0.466   7.362
  618   1HG2  THR  75          1HG2      THR  75   0.311  -0.238   6.021
  619   2HG2  THR  75          2HG2      THR  75  -1.402  -0.620   5.849
  620   3HG2  THR  75          3HG2      THR  75  -0.546  -1.057   7.327
  621    H    ASN  76           H        ASN  76   2.672   1.223   8.184
  622    HA   ASN  76           HA       ASN  76   3.106   3.333   6.162
  623   1HB   ASN  76          2HB       ASN  76   5.021   2.196   8.219
  624   2HB   ASN  76          1HB       ASN  76   5.340   3.549   7.133
  625   1HD2  ASN  76          1HD2      ASN  76   5.680   4.770   9.263
  626   2HD2  ASN  76          2HD2      ASN  76   4.311   5.410  10.036
  627    H    PHE  77           H        PHE  77   4.411   2.808   4.371
  628    HA   PHE  77           HA       PHE  77   5.527   0.105   4.343
  629   1HB   PHE  77          2HB       PHE  77   3.025   0.757   3.111
  630   2HB   PHE  77          1HB       PHE  77   4.207   0.373   1.862
  631    HD1  PHE  77           HD1      PHE  77   5.947  -1.533   2.934
  632    HD2  PHE  77           HD2      PHE  77   1.733  -1.174   3.649
  633    HE1  PHE  77           HE1      PHE  77   5.849  -3.923   3.486
  634    HE2  PHE  77           HE2      PHE  77   1.627  -3.581   4.187
  635    HZ   PHE  77           HZ       PHE  77   3.716  -4.932   4.097
  636    H    HIS  78           H        HIS  78   7.116  -0.182   2.913
  637    HA   HIS  78           HA       HIS  78   7.910   2.137   1.261
  638   1HB   HIS  78          2HB       HIS  78   9.130   2.027   3.526
  639   2HB   HIS  78          1HB       HIS  78   9.935   0.593   2.896
  640    HD1  HIS  78           HD1      HIS  78  11.234   0.924   0.589
  641    HD2  HIS  78           HD2      HIS  78  10.258   4.442   2.567
  642    HE1  HIS  78           HE1      HIS  78  12.533   2.773  -0.529
  643    H    PHE  79           H        PHE  79   9.396   1.651  -0.367
  644    HA   PHE  79           HA       PHE  79   9.535  -1.204  -1.189
  645   1HB   PHE  79          2HB       PHE  79   9.232   1.236  -2.938
  646   2HB   PHE  79          1HB       PHE  79   9.235  -0.424  -3.479
  647    HD1  PHE  79           HD1      PHE  79   7.331   2.194  -1.632
  648    HD2  PHE  79           HD2      PHE  79   7.227  -1.761  -3.338
  649    HE1  PHE  79           HE1      PHE  79   4.836   2.169  -1.446
  650    HE2  PHE  79           HE2      PHE  79   4.780  -1.777  -3.112
  651    HZ   PHE  79           HZ       PHE  79   3.588   0.146  -2.192
  652    H    SER  80           H        SER  80  11.937  -1.734  -1.805
  653    HA   SER  80           HA       SER  80  13.560   0.294  -2.749
  654   1HB   SER  80          2HB       SER  80  13.564   1.424  -0.704
  655   2HB   SER  80          1HB       SER  80  13.518  -0.083   0.213
  656    HG   SER  80           HG       SER  80  15.621  -0.255   0.036
  657    H    ASN  81           H        ASN  81  13.155  -2.315  -3.429
  658    HA   ASN  81           HA       ASN  81  14.816  -4.247  -2.215
  659   1HB   ASN  81          2HB       ASN  81  14.477  -4.333  -5.188
  660   2HB   ASN  81          1HB       ASN  81  14.315  -5.630  -4.003
  661   1HD2  ASN  81          1HD2      ASN  81  12.566  -3.973  -2.246
  662   2HD2  ASN  81          2HD2      ASN  81  11.081  -3.861  -3.034
  663    H    GLU  82           H        GLU  82  16.269  -4.826  -4.935
  664    HA   GLU  82           HA       GLU  82  18.819  -4.022  -4.297
  665   1HB   GLU  82          2HB       GLU  82  19.012  -3.763  -6.952
  666   2HB   GLU  82          1HB       GLU  82  18.800  -5.349  -6.210
  667   1HG   GLU  82          2HG       GLU  82  16.271  -3.925  -6.693
  668   2HG   GLU  82          1HG       GLU  82  17.166  -4.299  -8.166
  669    H    SER  83           H        SER  83  17.368  -2.250  -7.045
  670    HA   SER  83           HA       SER  83  17.649   0.213  -5.501
  671   1HB   SER  83          2HB       SER  83  18.636  -0.149  -8.346
  672   2HB   SER  83          1HB       SER  83  18.786   1.290  -7.341
  673    HG   SER  83           HG       SER  83  20.120   0.073  -5.944
  674    H    THR  84           H        THR  84  15.354  -1.359  -6.029
  675    HA   THR  84           HA       THR  84  14.150  -0.348  -8.465
  676    HB   THR  84           HB       THR  84  13.683  -2.640  -7.590
  677    HG1  THR  84           HG1      THR  84  12.061  -2.026  -8.834
  678   1HG2  THR  84          1HG2      THR  84  13.585  -2.592  -5.301
  679   2HG2  THR  84          2HG2      THR  84  11.861  -2.446  -5.640
  680   3HG2  THR  84          3HG2      THR  84  12.810  -1.011  -5.256
  681    H    ALA  85           H        ALA  85  14.263   0.721  -5.143
  682    HA   ALA  85           HA       ALA  85  11.790   1.966  -5.037
  683   1HB   ALA  85          1HB       ALA  85  13.736   3.590  -3.702
  684   2HB   ALA  85          2HB       ALA  85  14.197   1.902  -3.480
  685   3HB   ALA  85          3HB       ALA  85  12.601   2.452  -2.977
  686    H    VAL  86           H        VAL  86  11.562   2.697  -7.098
  687    HA   VAL  86           HA       VAL  86  12.506   5.422  -7.550
  688    HB   VAL  86           HB       VAL  86  12.721   3.454  -9.817
  689   1HG1  VAL  86          1HG1      VAL  86  13.367   5.314 -10.900
  690   2HG1  VAL  86          2HG1      VAL  86  14.698   5.518  -9.761
  691   3HG1  VAL  86          3HG1      VAL  86  13.130   6.255  -9.427
  692   1HG2  VAL  86          1HG2      VAL  86  14.127   2.507  -8.073
  693   2HG2  VAL  86          2HG2      VAL  86  14.816   4.090  -7.714
  694   3HG2  VAL  86          3HG2      VAL  86  15.168   3.303  -9.253
  695    H    LYS  87           H        LYS  87  11.469   4.698 -10.482
  696    HA   LYS  87           HA       LYS  87   8.941   5.874 -10.205
  697   1HB   LYS  87          2HB       LYS  87  10.603   4.961 -12.301
  698   2HB   LYS  87          1HB       LYS  87   9.045   4.164 -12.520
  699   1HG   LYS  87          2HG       LYS  87   7.945   6.419 -12.241
  700   2HG   LYS  87          1HG       LYS  87   9.555   7.139 -12.268
  701   1HD   LYS  87          2HD       LYS  87   9.774   6.861 -14.508
  702   2HD   LYS  87          1HD       LYS  87   9.061   5.248 -14.469
  703   1HE   LYS  87          2HE       LYS  87   7.533   7.864 -14.336
  704   2HE   LYS  87          1HE       LYS  87   7.624   6.792 -15.733
  705   1HZ   LYS  87          1HZ       LYS  87   6.757   5.092 -14.069
  706   2HZ   LYS  87          2HZ       LYS  87   5.721   6.134 -14.702
  707   3HZ   LYS  87          3HZ       LYS  87   6.270   6.357 -13.217
  708    H    GLU  88           H        GLU  88   9.807   2.417 -10.547
  709    HA   GLU  88           HA       GLU  88   7.414   1.170 -10.806
  710   1HB   GLU  88          2HB       GLU  88   8.421  -0.344  -8.790
  711   2HB   GLU  88          1HB       GLU  88   9.045  -0.408 -10.431
  712   1HG   GLU  88          2HG       GLU  88  10.226   1.739  -8.795
  713   2HG   GLU  88          1HG       GLU  88  10.579   0.112  -8.225
  714    H    ARG  89           H        ARG  89   8.699   1.597  -7.590
  715    HA   ARG  89           HA       ARG  89   6.287   1.321  -6.205
  716   1HB   ARG  89          2HB       ARG  89   8.447   3.131  -5.180
  717   2HB   ARG  89          1HB       ARG  89   7.520   1.910  -4.311
  718   1HG   ARG  89          2HG       ARG  89   9.770   1.426  -6.295
  719   2HG   ARG  89          1HG       ARG  89   9.768   1.026  -4.597
  720   1HD   ARG  89          2HD       ARG  89   8.116  -0.686  -4.893
  721   2HD   ARG  89          1HD       ARG  89   7.743  -0.129  -6.518
  722    HE   ARG  89           HE       ARG  89  10.402  -0.785  -6.631
  723   1HH1  ARG  89          1HH2      ARG  89   7.507  -2.325  -5.556
  724   2HH1  ARG  89          2HH2      ARG  89   8.013  -3.907  -6.043
  725   1HH2  ARG  89          1HH1      ARG  89  11.070  -2.852  -7.271
  726   2HH2  ARG  89          2HH1      ARG  89  10.023  -4.205  -7.007
  727    H    ASP  90           H        ASP  90   8.026   4.125  -7.344
  728    HA   ASP  90           HA       ASP  90   6.565   6.272  -6.480
  729   1HB   ASP  90          2HB       ASP  90   8.424   6.234  -8.296
  730   2HB   ASP  90          1HB       ASP  90   7.100   6.037  -9.442
  731    H    ALA  91           H        ALA  91   5.668   4.325  -9.356
  732    HA   ALA  91           HA       ALA  91   3.123   5.475  -9.696
  733   1HB   ALA  91          1HB       ALA  91   3.907   4.255 -11.532
  734   2HB   ALA  91          2HB       ALA  91   2.708   3.161 -10.843
  735   3HB   ALA  91          3HB       ALA  91   4.424   2.898 -10.531
  736    H    VAL  92           H        VAL  92   4.231   2.754  -7.685
  737    HA   VAL  92           HA       VAL  92   1.698   1.684  -7.037
  738    HB   VAL  92           HB       VAL  92   4.222   2.002  -5.384
  739   1HG1  VAL  92          1HG1      VAL  92   2.979   1.751  -3.519
  740   2HG1  VAL  92          2HG1      VAL  92   2.582   0.132  -4.099
  741   3HG1  VAL  92          3HG1      VAL  92   1.512   1.486  -4.459
  742   1HG2  VAL  92          1HG2      VAL  92   2.954  -0.113  -7.031
  743   2HG2  VAL  92          2HG2      VAL  92   3.664  -0.647  -5.503
  744   3HG2  VAL  92          3HG2      VAL  92   4.661   0.187  -6.698
  745    H    LYS  93           H        LYS  93   3.552   4.109  -5.229
  746    HA   LYS  93           HA       LYS  93   1.468   4.981  -3.581
  747   1HB   LYS  93          2HB       LYS  93   3.539   5.798  -2.938
  748   2HB   LYS  93          1HB       LYS  93   4.036   6.136  -4.596
  749   1HG   LYS  93          2HG       LYS  93   2.469   8.053  -4.668
  750   2HG   LYS  93          1HG       LYS  93   1.995   7.718  -3.001
  751   1HD   LYS  93          2HD       LYS  93   4.002   8.459  -2.130
  752   2HD   LYS  93          1HD       LYS  93   4.911   8.019  -3.576
  753   1HE   LYS  93          2HE       LYS  93   4.875  10.370  -3.668
  754   2HE   LYS  93          1HE       LYS  93   3.547   9.910  -4.734
  755   1HZ   LYS  93          1HZ       LYS  93   2.752  11.533  -3.270
  756   2HZ   LYS  93          2HZ       LYS  93   3.353  10.814  -1.973
  757   3HZ   LYS  93          3HZ       LYS  93   2.118  10.155  -2.753
  758    H    ASP  94           H        ASP  94   2.647   6.271  -6.674
  759    HA   ASP  94           HA       ASP  94   0.969   8.312  -7.239
  760   1HB   ASP  94          2HB       ASP  94   2.756   7.035  -8.704
  761   2HB   ASP  94          1HB       ASP  94   1.328   6.247  -9.371
  762    H    LEU  95           H        LEU  95  -0.021   4.935  -6.949
  763    HA   LEU  95           HA       LEU  95  -2.629   5.620  -8.126
  764   1HB   LEU  95          2HB       LEU  95  -1.866   2.965  -6.901
  765   2HB   LEU  95          1HB       LEU  95  -3.143   3.304  -8.063
  766    HG   LEU  95           HG       LEU  95  -0.236   2.894  -8.513
  767   1HD1  LEU  95          1HD1      LEU  95  -1.255   2.185 -10.784
  768   2HD1  LEU  95          2HD1      LEU  95  -2.823   2.411 -10.010
  769   3HD1  LEU  95          3HD1      LEU  95  -1.690   1.216  -9.376
  770   1HD2  LEU  95          1HD2      LEU  95  -0.724   4.238 -10.780
  771   2HD2  LEU  95          2HD2      LEU  95  -0.032   5.018  -9.359
  772   3HD2  LEU  95          3HD2      LEU  95  -1.755   5.174  -9.697
  773    H    LEU  96           H        LEU  96  -1.192   4.542  -5.033
  774    HA   LEU  96           HA       LEU  96  -3.261   4.285  -3.327
  775   1HB   LEU  96          2HB       LEU  96  -0.843   6.074  -2.952
  776   2HB   LEU  96          1HB       LEU  96  -1.905   5.582  -1.647
  777    HG   LEU  96           HG       LEU  96   0.106   3.980  -3.176
  778   1HD1  LEU  96          1HD1      LEU  96   0.966   4.057  -1.107
  779   2HD1  LEU  96          2HD1      LEU  96  -0.333   2.972  -0.598
  780   3HD1  LEU  96          3HD1      LEU  96  -0.528   4.718  -0.441
  781   1HD2  LEU  96          1HD2      LEU  96  -1.133   1.894  -2.248
  782   2HD2  LEU  96          2HD2      LEU  96  -1.757   2.621  -3.728
  783   3HD2  LEU  96          3HD2      LEU  96  -2.556   2.934  -2.187
  784    H    GLN  97           H        GLN  97  -1.872   7.450  -3.961
  785    HA   GLN  97           HA       GLN  97  -4.028   8.958  -2.831
  786   1HB   GLN  97          2HB       GLN  97  -2.244  10.051  -5.001
  787   2HB   GLN  97          1HB       GLN  97  -3.033  10.926  -3.693
  788   1HG   GLN  97          2HG       GLN  97  -1.042  10.728  -2.632
  789   2HG   GLN  97          1HG       GLN  97  -1.567   9.069  -2.316
  790   1HE2  GLN  97          1HE2      GLN  97  -1.419   8.453  -5.288
  791   2HE2  GLN  97          2HE2      GLN  97   0.235   8.223  -5.568
  792    H    GLN  98           H        GLN  98  -4.196   7.081  -5.493
  793    HA   GLN  98           HA       GLN  98  -5.922   8.894  -7.006
  794   1HB   GLN  98          2HB       GLN  98  -4.113   6.946  -7.797
  795   2HB   GLN  98          1HB       GLN  98  -5.665   6.137  -7.951
  796   1HG   GLN  98          2HG       GLN  98  -5.747   8.881  -8.949
  797   2HG   GLN  98          1HG       GLN  98  -4.562   7.891  -9.801
  798   1HE2  GLN  98          1HE2      GLN  98  -5.723   5.399  -9.933
  799   2HE2  GLN  98          2HE2      GLN  98  -7.216   5.468 -10.738
  800    H    LEU  99           H        LEU  99  -5.920   5.844  -5.188
  801    HA   LEU  99           HA       LEU  99  -8.777   5.450  -5.577
  802   1HB   LEU  99          2HB       LEU  99  -7.396   4.105  -3.316
  803   2HB   LEU  99          1HB       LEU  99  -8.473   3.424  -4.524
  804    HG   LEU  99           HG       LEU  99  -6.267   4.164  -6.023
  805   1HD1  LEU  99          1HD1      LEU  99  -5.483   4.135  -3.320
  806   2HD1  LEU  99          2HD1      LEU  99  -4.432   4.170  -4.737
  807   3HD1  LEU  99          3HD1      LEU  99  -4.878   2.629  -4.014
  808   1HD2  LEU  99          1HD2      LEU  99  -5.789   1.527  -5.258
  809   2HD2  LEU  99          2HD2      LEU  99  -6.793   2.045  -6.613
  810   3HD2  LEU  99          3HD2      LEU  99  -7.528   1.724  -5.041
  811    H    LEU 100           H        LEU 100  -6.672   6.852  -3.159
  812    HA   LEU 100           HA       LEU 100  -8.097   6.948  -0.891
  813   1HB   LEU 100          2HB       LEU 100  -6.101   8.607  -2.120
  814   2HB   LEU 100          1HB       LEU 100  -7.285   9.641  -1.325
  815    HG   LEU 100           HG       LEU 100  -5.676   7.399  -0.081
  816   1HD1  LEU 100          1HD1      LEU 100  -5.500  10.312  -0.221
  817   2HD1  LEU 100          2HD1      LEU 100  -4.296   9.146   0.325
  818   3HD1  LEU 100          3HD1      LEU 100  -5.531   9.727   1.441
  819   1HD2  LEU 100          1HD2      LEU 100  -7.133   7.278   1.655
  820   2HD2  LEU 100          2HD2      LEU 100  -8.300   8.023   0.565
  821   3HD2  LEU 100          3HD2      LEU 100  -7.372   9.022   1.680
  822    HA   PRO 101           HA       PRO 101 -10.728  10.521  -2.857
  823   1HB   PRO 101          2HB       PRO 101 -10.538   9.585  -5.668
  824   2HB   PRO 101          1HB       PRO 101 -10.567  11.241  -5.044
  825   1HG   PRO 101          2HG       PRO 101  -8.307   9.961  -5.955
  826   2HG   PRO 101          1HG       PRO 101  -8.280  11.288  -4.781
  827   1HD   PRO 101          2HD       PRO 101  -7.677   8.476  -4.357
  828   2HD   PRO 101          1HD       PRO 101  -7.440   9.841  -3.255
  829    H    LYS 102           H        LYS 102 -10.803   7.186  -3.145
  830    HA   LYS 102           HA       LYS 102 -13.471   6.990  -4.302
  831   1HB   LYS 102          2HB       LYS 102 -11.867   5.287  -4.892
  832   2HB   LYS 102          1HB       LYS 102 -11.493   5.003  -3.190
  833   1HG   LYS 102          2HG       LYS 102 -13.308   3.705  -2.858
  834   2HG   LYS 102          1HG       LYS 102 -14.343   4.705  -3.884
  835   1HD   LYS 102          2HD       LYS 102 -12.258   3.348  -5.414
  836   2HD   LYS 102          1HD       LYS 102 -13.294   2.210  -4.553
  837   1HE   LYS 102          2HE       LYS 102 -15.276   3.537  -5.482
  838   2HE   LYS 102          1HE       LYS 102 -14.116   4.322  -6.553
  839   1HZ   LYS 102          1HZ       LYS 102 -14.378   1.429  -6.376
  840   2HZ   LYS 102          2HZ       LYS 102 -13.600   2.268  -7.494
  841   3HZ   LYS 102          3HZ       LYS 102 -15.198   2.299  -7.440
  842    H    PHE 103           H        PHE 103 -11.905   6.310  -1.176
  843    HA   PHE 103           HA       PHE 103 -14.558   5.825  -0.031
  844   1HB   PHE 103          2HB       PHE 103 -12.802   5.311   2.020
  845   2HB   PHE 103          1HB       PHE 103 -13.342   4.108   0.850
  846    HD1  PHE 103           HD1      PHE 103 -12.021   3.735  -1.240
  847    HD2  PHE 103           HD2      PHE 103 -10.533   6.071   2.040
  848    HE1  PHE 103           HE1      PHE 103  -9.750   3.595  -2.185
  849    HE2  PHE 103           HE2      PHE 103  -8.241   5.920   1.104
  850    HZ   PHE 103           HZ       PHE 103  -7.846   4.690  -1.014
  851    H    LYS 104           H        LYS 104 -12.507   8.394  -0.420
  852    HA   LYS 104           HA       LYS 104 -13.086   9.571   2.204
  853   1HB   LYS 104          2HB       LYS 104 -11.137  10.005   0.079
  854   2HB   LYS 104          1HB       LYS 104 -11.879  11.506   0.631
  855   1HG   LYS 104          2HG       LYS 104 -10.899  11.384   2.679
  856   2HG   LYS 104          1HG       LYS 104 -11.117   9.634   2.784
  857   1HD   LYS 104          2HD       LYS 104  -8.778   9.903   2.585
  858   2HD   LYS 104          1HD       LYS 104  -9.308   9.497   0.955
  859   1HE   LYS 104          2HE       LYS 104  -8.138  11.360   0.370
  860   2HE   LYS 104          1HE       LYS 104  -9.601  12.193   0.896
  861   1HZ   LYS 104          1HZ       LYS 104  -7.823  11.592   3.005
  862   2HZ   LYS 104          2HZ       LYS 104  -8.538  12.978   2.649
  863   3HZ   LYS 104          3HZ       LYS 104  -7.170  12.574   1.922
  864    H    ARG 105           H        ARG 105 -15.168   8.994   0.226
  865    HA   ARG 105           HA       ARG 105 -16.008  11.325  -1.110
  866   1HB   ARG 105          2HB       ARG 105 -17.774   9.162   0.065
  867   2HB   ARG 105          1HB       ARG 105 -18.163  10.237  -1.279
  868   1HG   ARG 105          2HG       ARG 105 -15.657   8.887  -1.783
  869   2HG   ARG 105          1HG       ARG 105 -16.922   7.708  -1.432
  870   1HD   ARG 105          2HD       ARG 105 -17.992   9.769  -3.133
  871   2HD   ARG 105          1HD       ARG 105 -16.514   9.127  -3.852
  872    HE   ARG 105           HE       ARG 105 -17.880   6.892  -3.084
  873   1HH1  ARG 105          1HH2      ARG 105 -18.585   9.735  -4.919
  874   2HH1  ARG 105          2HH2      ARG 105 -19.715   8.937  -5.960
  875   1HH2  ARG 105          1HH1      ARG 105 -19.352   5.845  -4.437
  876   2HH2  ARG 105          2HH1      ARG 105 -20.149   6.739  -5.688
  877    H    LYS 106           H        LYS 106 -18.707  10.770   0.700
  878    HA   LYS 106           HA       LYS 106 -17.933  12.627   2.841
  879   1HB   LYS 106          2HB       LYS 106 -20.278  13.726   2.265
  880   2HB   LYS 106          1HB       LYS 106 -18.813  14.245   1.432
  881   1HG   LYS 106          2HG       LYS 106 -20.226  11.919   0.245
  882   2HG   LYS 106          1HG       LYS 106 -21.054  13.473   0.123
  883   1HD   LYS 106          2HD       LYS 106 -18.283  13.882  -0.474
  884   2HD   LYS 106          1HD       LYS 106 -18.866  12.528  -1.442
  885   1HE   LYS 106          2HE       LYS 106 -20.390  15.129  -1.226
  886   2HE   LYS 106          1HE       LYS 106 -19.169  14.853  -2.467
  887   1HZ   LYS 106          1HZ       LYS 106 -20.692  12.673  -2.588
  888   2HZ   LYS 106          2HZ       LYS 106 -20.835  13.934  -3.562
  889   3HZ   LYS 106          3HZ       LYS 106 -21.784  13.802  -2.281
  890    H    ALA 107           H        ALA 107 -20.397  10.483   1.438
  891    HA   ALA 107           HA       ALA 107 -21.783  10.271   3.978
  892   1HB   ALA 107          1HB       ALA 107 -22.736  10.052   1.533
  893   2HB   ALA 107          2HB       ALA 107 -23.374   9.023   2.815
  894   3HB   ALA 107          3HB       ALA 107 -22.187   8.383   1.679
  895    H    ASN 108           H        ASN 108 -19.731   8.175   1.941
  896    HA   ASN 108           HA       ASN 108 -19.409   6.429   4.310
  897   1HB   ASN 108          2HB       ASN 108 -20.121   5.810   1.642
  898   2HB   ASN 108          1HB       ASN 108 -18.467   5.237   1.860
  899   1HD2  ASN 108          1HD2      ASN 108 -18.180   3.328   3.067
  900   2HD2  ASN 108          2HD2      ASN 108 -19.420   2.549   3.927
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -16.170  -6.811 -10.770
    2   2H    MET   1          2H        MET   1 -17.671  -7.363 -10.765
    3   3H    MET   1          3H        MET   1 -17.304  -6.056 -11.611
    4    HA   MET   1           HA       MET   1 -17.221  -7.422 -13.347
    5   1HB   MET   1          2HB       MET   1 -14.636  -8.304 -12.051
    6   2HB   MET   1          1HB       MET   1 -14.980  -8.115 -13.771
    7   1HG   MET   1          2HG       MET   1 -14.857  -5.877 -11.727
    8   2HG   MET   1          1HG       MET   1 -13.647  -6.217 -12.964
    9   1HE   MET   1          1HE       MET   1 -13.879  -3.644 -13.963
   10   2HE   MET   1          2HE       MET   1 -14.529  -3.946 -15.573
   11   3HE   MET   1          3HE       MET   1 -13.432  -5.114 -14.840
   12    H    ALA   2           H        ALA   2 -15.759  -9.938 -13.505
   13    HA   ALA   2           HA       ALA   2 -17.290 -11.655 -11.664
   14   1HB   ALA   2          1HB       ALA   2 -18.588 -11.419 -13.780
   15   2HB   ALA   2          2HB       ALA   2 -18.027 -13.069 -13.513
   16   3HB   ALA   2          3HB       ALA   2 -17.195 -12.032 -14.671
   17    H    THR   3           H        THR   3 -15.408 -12.367 -10.624
   18    HA   THR   3           HA       THR   3 -13.612 -13.977 -12.323
   19    HB   THR   3           HB       THR   3 -11.823 -13.122 -10.550
   20    HG1  THR   3           HG1      THR   3 -12.296 -10.833 -10.245
   21   1HG2  THR   3          1HG2      THR   3 -12.650 -12.307 -13.210
   22   2HG2  THR   3          2HG2      THR   3 -11.022 -12.487 -12.555
   23   3HG2  THR   3          3HG2      THR   3 -11.895 -10.970 -12.342
   24    H    SER   4           H        SER   4 -13.323 -13.229  -8.876
   25    HA   SER   4           HA       SER   4 -14.314 -15.941  -8.270
   26   1HB   SER   4          2HB       SER   4 -11.754 -15.802  -8.433
   27   2HB   SER   4          1HB       SER   4 -11.829 -14.794  -6.991
   28    HG   SER   4           HG       SER   4 -11.964 -17.450  -7.190
   29    H    SER   5           H        SER   5 -12.790 -13.320  -6.368
   30    HA   SER   5           HA       SER   5 -15.375 -12.872  -5.054
   31   1HB   SER   5          2HB       SER   5 -12.888 -13.937  -3.753
   32   2HB   SER   5          1HB       SER   5 -13.975 -12.899  -2.835
   33    HG   SER   5           HG       SER   5 -14.246 -15.494  -3.539
   34    H    GLU   6           H        GLU   6 -12.429 -11.810  -3.543
   35    HA   GLU   6           HA       GLU   6 -13.188  -9.085  -3.861
   36   1HB   GLU   6          2HB       GLU   6 -10.693  -8.752  -3.093
   37   2HB   GLU   6          1HB       GLU   6 -11.904  -9.346  -1.967
   38   1HG   GLU   6          2HG       GLU   6 -10.590 -11.446  -3.570
   39   2HG   GLU   6          1HG       GLU   6  -9.518 -10.587  -2.465
   40    H    GLU   7           H        GLU   7 -11.782  -7.445  -4.840
   41    HA   GLU   7           HA       GLU   7 -10.510  -8.462  -7.323
   42   1HB   GLU   7          2HB       GLU   7 -11.975  -5.830  -6.972
   43   2HB   GLU   7          1HB       GLU   7 -11.295  -6.467  -8.469
   44   1HG   GLU   7          2HG       GLU   7 -13.055  -8.421  -7.270
   45   2HG   GLU   7          1HG       GLU   7 -13.900  -6.887  -7.474
   46    H    VAL   8           H        VAL   8  -8.242  -8.137  -6.995
   47    HA   VAL   8           HA       VAL   8  -7.553  -5.809  -5.359
   48    HB   VAL   8           HB       VAL   8  -6.166  -7.381  -4.478
   49   1HG1  VAL   8          1HG1      VAL   8  -7.332  -9.218  -5.602
   50   2HG1  VAL   8          2HG1      VAL   8  -5.593  -9.510  -5.594
   51   3HG1  VAL   8          3HG1      VAL   8  -6.385  -8.944  -7.064
   52   1HG2  VAL   8          1HG2      VAL   8  -4.567  -7.405  -7.031
   53   2HG2  VAL   8          2HG2      VAL   8  -3.993  -7.400  -5.364
   54   3HG2  VAL   8          3HG2      VAL   8  -4.675  -5.935  -6.064
   55    H    LEU   9           H        LEU   9  -6.001  -4.327  -6.097
   56    HA   LEU   9           HA       LEU   9  -6.138  -3.992  -9.008
   57   1HB   LEU   9          2HB       LEU   9  -7.020  -2.126  -7.889
   58   2HB   LEU   9          1HB       LEU   9  -5.681  -2.063  -6.750
   59    HG   LEU   9           HG       LEU   9  -4.148  -1.400  -8.507
   60   1HD1  LEU   9          1HD1      LEU   9  -6.470  -1.404 -10.441
   61   2HD1  LEU   9          2HD1      LEU   9  -5.415  -2.805 -10.256
   62   3HD1  LEU   9          3HD1      LEU   9  -4.749  -1.267 -10.803
   63   1HD2  LEU   9          1HD2      LEU   9  -5.752   0.615  -9.420
   64   2HD2  LEU   9          2HD2      LEU   9  -4.991   0.612  -7.829
   65   3HD2  LEU   9          3HD2      LEU   9  -6.662   0.079  -8.007
   66    H    LEU  10           H        LEU  10  -3.535  -4.340  -6.486
   67    HA   LEU  10           HA       LEU  10  -1.719  -4.987  -8.588
   68   1HB   LEU  10          2HB       LEU  10  -1.827  -2.618  -9.103
   69   2HB   LEU  10          1HB       LEU  10  -1.487  -2.204  -7.422
   70    HG   LEU  10           HG       LEU  10   0.687  -3.488  -7.655
   71   1HD1  LEU  10          1HD1      LEU  10   0.946  -3.214 -10.486
   72   2HD1  LEU  10          2HD1      LEU  10  -0.519  -4.143 -10.164
   73   3HD1  LEU  10          3HD1      LEU  10   1.031  -4.689  -9.524
   74   1HD2  LEU  10          1HD2      LEU  10   0.363  -0.950  -7.903
   75   2HD2  LEU  10          2HD2      LEU  10   0.468  -1.221  -9.643
   76   3HD2  LEU  10          3HD2      LEU  10   1.833  -1.629  -8.602
   77    H    ILE  11           H        ILE  11   0.355  -5.599  -7.812
   78    HA   ILE  11           HA       ILE  11   0.763  -5.403  -4.901
   79    HB   ILE  11           HB       ILE  11  -0.233  -7.523  -5.045
   80   1HG1  ILE  11          2HG1      ILE  11   2.257  -7.277  -4.094
   81   2HG1  ILE  11          1HG1      ILE  11   1.407  -8.810  -4.080
   82   1HG2  ILE  11          1HG2      ILE  11  -0.344  -7.873  -7.400
   83   2HG2  ILE  11          2HG2      ILE  11   0.586  -9.224  -6.752
   84   3HG2  ILE  11          3HG2      ILE  11   1.414  -7.884  -7.546
   85   1HD1  ILE  11          1HD1      ILE  11   3.414  -7.883  -6.155
   86   2HD1  ILE  11          2HD1      ILE  11   2.473  -9.368  -6.282
   87   3HD1  ILE  11          3HD1      ILE  11   3.637  -9.171  -4.973
   88    H    VAL  12           H        VAL  12   2.898  -5.438  -4.269
   89    HA   VAL  12           HA       VAL  12   4.904  -5.662  -6.425
   90    HB   VAL  12           HB       VAL  12   4.249  -3.315  -5.107
   91   1HG1  VAL  12          1HG1      VAL  12   6.303  -2.851  -3.762
   92   2HG1  VAL  12          2HG1      VAL  12   6.666  -4.570  -3.805
   93   3HG1  VAL  12          3HG1      VAL  12   5.196  -3.996  -3.016
   94   1HG2  VAL  12          1HG2      VAL  12   6.506  -2.556  -6.017
   95   2HG2  VAL  12          2HG2      VAL  12   5.434  -3.335  -7.181
   96   3HG2  VAL  12          3HG2      VAL  12   6.779  -4.236  -6.481
   97    H    LYS  13           H        LYS  13   6.593  -7.018  -5.898
   98    HA   LYS  13           HA       LYS  13   6.232  -8.847  -3.840
   99   1HB   LYS  13          2HB       LYS  13   7.514  -9.331  -5.866
  100   2HB   LYS  13          1HB       LYS  13   8.772  -8.217  -5.329
  101   1HG   LYS  13          2HG       LYS  13   9.258  -9.588  -3.400
  102   2HG   LYS  13          1HG       LYS  13   7.871 -10.627  -3.729
  103   1HD   LYS  13          2HD       LYS  13  10.098 -10.266  -5.738
  104   2HD   LYS  13          1HD       LYS  13  10.171 -11.500  -4.480
  105   1HE   LYS  13          2HE       LYS  13   8.883 -12.840  -5.744
  106   2HE   LYS  13          1HE       LYS  13   7.583 -11.652  -5.648
  107   1HZ   LYS  13          1HZ       LYS  13   9.090 -10.563  -7.465
  108   2HZ   LYS  13          2HZ       LYS  13   7.948 -11.619  -7.840
  109   3HZ   LYS  13          3HZ       LYS  13   9.475 -12.090  -7.750
  110    H    LYS  14           H        LYS  14   9.376  -7.114  -3.664
  111    HA   LYS  14           HA       LYS  14   8.841  -7.383  -0.819
  112   1HB   LYS  14          2HB       LYS  14  11.144  -7.644  -2.570
  113   2HB   LYS  14          1HB       LYS  14  11.500  -6.737  -1.101
  114   1HG   LYS  14          2HG       LYS  14  10.227  -9.485  -1.250
  115   2HG   LYS  14          1HG       LYS  14  11.852  -9.112  -0.674
  116   1HD   LYS  14          2HD       LYS  14  10.104  -7.429   0.775
  117   2HD   LYS  14          1HD       LYS  14   9.362  -9.030   0.780
  118   1HE   LYS  14          2HE       LYS  14  12.277  -8.562   1.451
  119   2HE   LYS  14          1HE       LYS  14  11.004  -8.604   2.671
  120   1HZ   LYS  14          1HZ       LYS  14  11.361 -10.769   2.625
  121   2HZ   LYS  14          2HZ       LYS  14  12.171 -10.744   1.246
  122   3HZ   LYS  14          3HZ       LYS  14  10.572 -10.803   1.231
  123    H    VAL  15           H        VAL  15   7.895  -5.514  -0.013
  124    HA   VAL  15           HA       VAL  15   9.136  -2.957  -0.592
  125    HB   VAL  15           HB       VAL  15   6.599  -3.679   0.917
  126   1HG1  VAL  15          1HG1      VAL  15   7.309  -1.448   1.492
  127   2HG1  VAL  15          2HG1      VAL  15   5.972  -1.306   0.355
  128   3HG1  VAL  15          3HG1      VAL  15   7.627  -1.061  -0.200
  129   1HG2  VAL  15          1HG2      VAL  15   6.161  -4.404  -1.254
  130   2HG2  VAL  15          2HG2      VAL  15   7.131  -3.120  -1.977
  131   3HG2  VAL  15          3HG2      VAL  15   5.565  -2.745  -1.259
  132    H    ARG  16           H        ARG  16   9.267  -1.471   1.411
  133    HA   ARG  16           HA       ARG  16  10.270  -3.008   3.712
  134   1HB   ARG  16          2HB       ARG  16  12.093  -1.779   2.579
  135   2HB   ARG  16          1HB       ARG  16  11.082  -0.361   2.446
  136   1HG   ARG  16          2HG       ARG  16  12.422   0.130   4.297
  137   2HG   ARG  16          1HG       ARG  16  10.930  -0.448   5.019
  138   1HD   ARG  16          2HD       ARG  16  13.481  -1.362   5.587
  139   2HD   ARG  16          1HD       ARG  16  11.982  -2.197   5.999
  140    HE   ARG  16           HE       ARG  16  12.417  -3.157   3.536
  141   1HH1  ARG  16          1HH2      ARG  16  14.380  -2.718   6.362
  142   2HH1  ARG  16          2HH2      ARG  16  15.458  -4.010   5.963
  143   1HH2  ARG  16          1HH1      ARG  16  13.850  -4.838   3.018
  144   2HH2  ARG  16          2HH1      ARG  16  15.158  -5.205   4.089
  145    H    GLN  17           H        GLN  17   9.455  -2.249   5.660
  146    HA   GLN  17           HA       GLN  17   7.960   0.242   5.574
  147   1HB   GLN  17          2HB       GLN  17   5.994  -0.800   6.701
  148   2HB   GLN  17          1HB       GLN  17   6.236  -1.397   5.069
  149   1HG   GLN  17          2HG       GLN  17   6.978  -3.470   5.774
  150   2HG   GLN  17          1HG       GLN  17   7.470  -2.863   7.350
  151   1HE2  GLN  17          1HE2      GLN  17   5.193  -1.571   8.272
  152   2HE2  GLN  17          2HE2      GLN  17   3.900  -2.664   8.390
  153    H    LYS  18           H        LYS  18   7.922   1.211   7.534
  154    HA   LYS  18           HA       LYS  18  10.044   1.267   9.100
  155   1HB   LYS  18          2HB       LYS  18   7.251   1.931   9.607
  156   2HB   LYS  18          1HB       LYS  18   8.136   1.568  11.088
  157   1HG   LYS  18          2HG       LYS  18   8.618   3.828  10.843
  158   2HG   LYS  18          1HG       LYS  18   9.984   3.106   9.991
  159   1HD   LYS  18          2HD       LYS  18   8.445   3.240   7.892
  160   2HD   LYS  18          1HD       LYS  18   7.523   4.405   8.842
  161   1HE   LYS  18          2HE       LYS  18  10.395   4.586   7.935
  162   2HE   LYS  18          1HE       LYS  18   9.084   5.734   7.659
  163   1HZ   LYS  18          1HZ       LYS  18  10.451   6.540   9.380
  164   2HZ   LYS  18          2HZ       LYS  18  10.391   5.168  10.202
  165   3HZ   LYS  18          3HZ       LYS  18   9.081   6.076  10.066
  166    H    LYS  19           H        LYS  19   7.871  -1.488   9.230
  167    HA   LYS  19           HA       LYS  19   9.203  -2.377  11.692
  168   1HB   LYS  19          2HB       LYS  19   7.453  -4.087  11.779
  169   2HB   LYS  19          1HB       LYS  19   6.711  -2.504  11.557
  170   1HG   LYS  19          2HG       LYS  19   6.705  -2.998   9.041
  171   2HG   LYS  19          1HG       LYS  19   7.140  -4.657   9.448
  172   1HD   LYS  19          2HD       LYS  19   4.620  -3.167  10.192
  173   2HD   LYS  19          1HD       LYS  19   4.776  -4.627   9.206
  174   1HE   LYS  19          2HE       LYS  19   4.254  -5.668  11.180
  175   2HE   LYS  19          1HE       LYS  19   5.979  -5.470  11.486
  176   1HZ   LYS  19          1HZ       LYS  19   3.770  -3.964  12.559
  177   2HZ   LYS  19          2HZ       LYS  19   5.168  -3.209  12.369
  178   3HZ   LYS  19          3HZ       LYS  19   5.080  -4.505  13.303
  179    H    GLN  20           H        GLN  20   8.378  -3.638   8.508
  180    HA   GLN  20           HA       GLN  20  10.806  -5.235   8.392
  181   1HB   GLN  20          2HB       GLN  20   8.216  -6.254   9.118
  182   2HB   GLN  20          1HB       GLN  20   8.727  -6.952   7.579
  183   1HG   GLN  20          2HG       GLN  20  10.998  -6.868   9.299
  184   2HG   GLN  20          1HG       GLN  20   9.663  -7.594  10.198
  185   1HE2  GLN  20          1HE2      GLN  20   8.288  -9.123   8.463
  186   2HE2  GLN  20          2HE2      GLN  20   9.279 -10.244   7.662
  187    H    ASP  21           H        ASP  21  10.908  -6.423   6.240
  188    HA   ASP  21           HA       ASP  21   9.721  -4.702   4.155
  189   1HB   ASP  21          2HB       ASP  21  12.371  -5.342   4.380
  190   2HB   ASP  21          1HB       ASP  21  11.805  -6.776   3.542
  191    H    GLY  22           H        GLY  22   8.288  -5.785   2.857
  192   1HA   GLY  22          2HA       GLY  22   7.985  -8.641   2.913
  193   2HA   GLY  22          1HA       GLY  22   6.740  -7.783   3.811
  194    H    ALA  23           H        ALA  23   6.011  -9.155   1.387
  195    HA   ALA  23           HA       ALA  23   6.039  -7.198  -0.712
  196   1HB   ALA  23          1HB       ALA  23   4.624  -8.849  -1.875
  197   2HB   ALA  23          2HB       ALA  23   4.465  -9.772  -0.381
  198   3HB   ALA  23          3HB       ALA  23   6.037  -9.635  -1.169
  199    H    LEU  24           H        LEU  24   4.480  -5.941  -1.315
  200    HA   LEU  24           HA       LEU  24   2.290  -5.561   0.626
  201   1HB   LEU  24          2HB       LEU  24   4.222  -3.844  -0.614
  202   2HB   LEU  24          1HB       LEU  24   2.637  -3.372  -1.220
  203    HG   LEU  24           HG       LEU  24   3.623  -3.478   1.617
  204   1HD1  LEU  24          1HD1      LEU  24   3.978  -1.327   0.877
  205   2HD1  LEU  24          2HD1      LEU  24   2.260  -1.147   1.236
  206   3HD1  LEU  24          3HD1      LEU  24   2.787  -1.468  -0.412
  207   1HD2  LEU  24          1HD2      LEU  24   1.147  -2.729   2.058
  208   2HD2  LEU  24          2HD2      LEU  24   1.505  -4.450   1.915
  209   3HD2  LEU  24          3HD2      LEU  24   0.805  -3.578   0.550
  210    H    TYR  25           H        TYR  25   0.282  -6.025  -0.077
  211    HA   TYR  25           HA       TYR  25  -0.191  -6.287  -2.987
  212   1HB   TYR  25          2HB       TYR  25  -1.138  -7.753  -0.557
  213   2HB   TYR  25          1HB       TYR  25  -2.306  -7.513  -1.852
  214    HD1  TYR  25           HD1      TYR  25  -1.985  -8.538  -4.049
  215    HD2  TYR  25           HD2      TYR  25   0.835  -9.148  -0.869
  216    HE1  TYR  25           HE1      TYR  25  -1.001 -10.452  -5.287
  217    HE2  TYR  25           HE2      TYR  25   1.822 -11.054  -2.107
  218    HH   TYR  25           HH       TYR  25   1.273 -11.634  -5.338
  219    H    LEU  26           H        LEU  26  -1.867  -4.857  -3.805
  220    HA   LEU  26           HA       LEU  26  -3.242  -3.355  -1.685
  221   1HB   LEU  26          2HB       LEU  26  -2.185  -1.587  -2.656
  222   2HB   LEU  26          1HB       LEU  26  -1.720  -2.531  -4.065
  223    HG   LEU  26           HG       LEU  26  -4.582  -1.679  -3.746
  224   1HD1  LEU  26          1HD1      LEU  26  -3.086   0.328  -3.398
  225   2HD1  LEU  26          2HD1      LEU  26  -4.110   0.433  -4.830
  226   3HD1  LEU  26          3HD1      LEU  26  -2.403   0.020  -4.995
  227   1HD2  LEU  26          1HD2      LEU  26  -4.463  -2.949  -5.648
  228   2HD2  LEU  26          2HD2      LEU  26  -2.734  -2.664  -5.850
  229   3HD2  LEU  26          3HD2      LEU  26  -3.896  -1.439  -6.359
  230    H    MET  27           H        MET  27  -5.506  -3.265  -1.938
  231    HA   MET  27           HA       MET  27  -6.624  -4.469  -4.364
  232   1HB   MET  27          2HB       MET  27  -6.493  -6.300  -2.744
  233   2HB   MET  27          1HB       MET  27  -7.256  -5.293  -1.513
  234   1HG   MET  27          2HG       MET  27  -9.290  -5.839  -2.273
  235   2HG   MET  27          1HG       MET  27  -8.873  -5.286  -3.891
  236   1HE   MET  27          1HE       MET  27  -7.165  -7.675  -1.660
  237   2HE   MET  27          2HE       MET  27  -7.366  -9.291  -2.332
  238   3HE   MET  27          3HE       MET  27  -8.685  -8.550  -1.429
  239    H    ALA  28           H        ALA  28  -8.692  -3.595  -4.829
  240    HA   ALA  28           HA       ALA  28  -9.242  -1.008  -4.366
  241   1HB   ALA  28          1HB       ALA  28 -11.767  -1.839  -4.377
  242   2HB   ALA  28          2HB       ALA  28 -11.014  -3.391  -4.760
  243   3HB   ALA  28          3HB       ALA  28 -10.755  -1.996  -5.814
  244    H    GLU  29           H        GLU  29 -10.751  -3.538  -2.376
  245    HA   GLU  29           HA       GLU  29 -11.526  -1.534  -0.473
  246   1HB   GLU  29          2HB       GLU  29 -13.045  -3.338  -0.924
  247   2HB   GLU  29          1HB       GLU  29 -11.832  -4.528  -0.461
  248   1HG   GLU  29          2HG       GLU  29 -12.208  -4.235   1.760
  249   2HG   GLU  29          1HG       GLU  29 -12.364  -2.486   1.597
  250    H    ARG  30           H        ARG  30  -8.589  -3.453  -0.604
  251    HA   ARG  30           HA       ARG  30  -7.958  -2.314   1.967
  252   1HB   ARG  30          2HB       ARG  30  -7.786  -4.269   3.258
  253   2HB   ARG  30          1HB       ARG  30  -9.338  -4.413   2.457
  254   1HG   ARG  30          2HG       ARG  30  -7.281  -5.531   0.788
  255   2HG   ARG  30          1HG       ARG  30  -7.172  -6.217   2.409
  256   1HD   ARG  30          2HD       ARG  30  -8.729  -7.611   1.280
  257   2HD   ARG  30          1HD       ARG  30  -9.724  -6.531   2.252
  258    HE   ARG  30           HE       ARG  30  -9.426  -5.251  -0.185
  259   1HH1  ARG  30          1HH2      ARG  30 -10.477  -8.344   0.954
  260   2HH1  ARG  30          2HH2      ARG  30 -11.657  -8.550  -0.295
  261   1HH2  ARG  30          1HH1      ARG  30 -11.000  -5.508  -1.811
  262   2HH2  ARG  30          2HH1      ARG  30 -11.946  -6.957  -1.858
  263    H    ILE  31           H        ILE  31  -5.823  -2.920   2.723
  264    HA   ILE  31           HA       ILE  31  -4.046  -3.563   0.444
  265    HB   ILE  31           HB       ILE  31  -3.962  -1.474   2.527
  266   1HG1  ILE  31          2HG1      ILE  31  -2.682  -2.019  -0.160
  267   2HG1  ILE  31          1HG1      ILE  31  -3.979  -0.889   0.216
  268   1HG2  ILE  31          1HG2      ILE  31  -1.365  -2.902   1.849
  269   2HG2  ILE  31          2HG2      ILE  31  -2.213  -3.123   3.378
  270   3HG2  ILE  31          3HG2      ILE  31  -1.582  -1.536   2.943
  271   1HD1  ILE  31          1HD1      ILE  31  -2.418   0.438   1.601
  272   2HD1  ILE  31          2HD1      ILE  31  -1.840   0.303  -0.061
  273   3HD1  ILE  31          3HD1      ILE  31  -1.123  -0.693   1.206
  274    H    ALA  32           H        ALA  32  -2.865  -5.406   0.650
  275    HA   ALA  32           HA       ALA  32  -2.869  -6.703   3.312
  276   1HB   ALA  32          1HB       ALA  32  -3.686  -8.498   2.240
  277   2HB   ALA  32          2HB       ALA  32  -2.196  -8.569   1.300
  278   3HB   ALA  32          3HB       ALA  32  -3.577  -7.655   0.694
  279    H    TRP  33           H        TRP  33  -0.947  -7.607   4.079
  280    HA   TRP  33           HA       TRP  33   1.451  -7.011   2.471
  281   1HB   TRP  33          2HB       TRP  33   1.175  -5.308   4.230
  282   2HB   TRP  33          1HB       TRP  33   1.076  -6.582   5.438
  283    HD1  TRP  33           HD1      TRP  33   3.484  -5.904   2.506
  284    HE1  TRP  33           HE1      TRP  33   5.870  -6.081   3.432
  285    HE3  TRP  33           HE3      TRP  33   2.602  -7.064   7.403
  286    HZ2  TRP  33           HZ2      TRP  33   7.251  -6.645   5.745
  287    HZ3  TRP  33           HZ3      TRP  33   4.504  -7.467   8.923
  288    HH2  TRP  33           HH2      TRP  33   6.844  -7.271   8.092
  289    H    ALA  34           H        ALA  34   2.941  -8.680   2.536
  290    HA   ALA  34           HA       ALA  34   2.707 -10.724   4.580
  291   1HB   ALA  34          1HB       ALA  34   1.412 -11.057   2.108
  292   2HB   ALA  34          2HB       ALA  34   1.672 -12.274   3.358
  293   3HB   ALA  34          3HB       ALA  34   2.847 -12.081   2.056
  294    HA   PRO  35           HA       PRO  35   6.912 -10.976   3.244
  295   1HB   PRO  35          2HB       PRO  35   7.665 -12.629   5.459
  296   2HB   PRO  35          1HB       PRO  35   7.843 -10.875   5.313
  297   1HG   PRO  35          2HG       PRO  35   5.991 -12.330   6.973
  298   2HG   PRO  35          1HG       PRO  35   6.190 -10.578   6.840
  299   1HD   PRO  35          2HD       PRO  35   4.036 -12.193   5.818
  300   2HD   PRO  35          1HD       PRO  35   4.236 -10.436   5.696
  301    H    GLU  36           H        GLU  36   8.675 -13.076   3.558
  302    HA   GLU  36           HA       GLU  36   7.596 -15.000   1.696
  303   1HB   GLU  36          2HB       GLU  36   9.900 -16.051   2.019
  304   2HB   GLU  36          1HB       GLU  36   9.888 -14.404   1.388
  305   1HG   GLU  36          2HG       GLU  36  10.601 -13.479   3.413
  306   2HG   GLU  36          1HG       GLU  36  10.037 -14.860   4.355
  307    H    GLY  37           H        GLY  37   6.018 -16.249   2.735
  308   1HA   GLY  37          2HA       GLY  37   7.031 -18.271   4.542
  309   2HA   GLY  37          1HA       GLY  37   5.858 -17.178   5.279
  310    H    LYS  38           H        LYS  38   5.293 -19.923   4.967
  311    HA   LYS  38           HA       LYS  38   3.994 -20.763   2.695
  312   1HB   LYS  38          2HB       LYS  38   4.248 -22.065   4.839
  313   2HB   LYS  38          1HB       LYS  38   2.914 -21.122   5.502
  314   1HG   LYS  38          2HG       LYS  38   1.683 -21.879   3.292
  315   2HG   LYS  38          1HG       LYS  38   2.878 -23.177   3.318
  316   1HD   LYS  38          2HD       LYS  38   1.089 -22.466   5.660
  317   2HD   LYS  38          1HD       LYS  38   0.753 -23.765   4.515
  318   1HE   LYS  38          2HE       LYS  38   3.156 -24.586   5.105
  319   2HE   LYS  38          1HE       LYS  38   2.982 -23.559   6.527
  320   1HZ   LYS  38          1HZ       LYS  38   0.893 -25.439   5.848
  321   2HZ   LYS  38          2HZ       LYS  38   1.267 -24.831   7.280
  322   3HZ   LYS  38          3HZ       LYS  38   2.193 -25.960   6.625
  323    H    ASP  39           H        ASP  39   2.767 -18.545   5.172
  324    HA   ASP  39           HA       ASP  39   0.213 -18.293   3.926
  325   1HB   ASP  39          2HB       ASP  39  -0.127 -16.470   5.489
  326   2HB   ASP  39          1HB       ASP  39   0.685 -17.777   6.351
  327    H    ARG  40           H        ARG  40  -0.432 -16.531   2.627
  328    HA   ARG  40           HA       ARG  40   1.791 -15.230   1.218
  329   1HB   ARG  40          2HB       ARG  40  -1.024 -15.945   0.493
  330   2HB   ARG  40          1HB       ARG  40  -0.220 -14.626  -0.341
  331   1HG   ARG  40          2HG       ARG  40   0.543 -16.290  -1.711
  332   2HG   ARG  40          1HG       ARG  40   1.737 -16.512  -0.433
  333   1HD   ARG  40          2HD       ARG  40   0.896 -18.528   0.103
  334   2HD   ARG  40          1HD       ARG  40  -0.742 -17.888   0.209
  335    HE   ARG  40           HE       ARG  40   0.244 -19.490  -1.860
  336   1HH1  ARG  40          1HH2      ARG  40  -1.434 -16.483  -1.453
  337   2HH1  ARG  40          2HH2      ARG  40  -1.993 -16.443  -3.088
  338   1HH2  ARG  40          1HH1      ARG  40  -0.511 -19.442  -3.970
  339   2HH2  ARG  40          2HH1      ARG  40  -1.485 -18.113  -4.504
  340    H    PHE  41           H        PHE  41  -0.339 -14.639   3.633
  341    HA   PHE  41           HA       PHE  41  -0.122 -11.745   3.194
  342   1HB   PHE  41          2HB       PHE  41  -2.659 -13.301   3.682
  343   2HB   PHE  41          1HB       PHE  41  -2.530 -11.574   4.034
  344    HD1  PHE  41           HD1      PHE  41  -3.381 -13.904   1.553
  345    HD2  PHE  41           HD2      PHE  41  -1.334 -10.169   2.121
  346    HE1  PHE  41           HE1      PHE  41  -3.659 -13.397  -0.857
  347    HE2  PHE  41           HE2      PHE  41  -1.615  -9.660  -0.303
  348    HZ   PHE  41           HZ       PHE  41  -2.773 -11.280  -1.783
  349    H    THR  42           H        THR  42   0.504 -10.720   4.996
  350    HA   THR  42           HA       THR  42   0.346 -12.217   7.527
  351    HB   THR  42           HB       THR  42   2.563 -11.180   6.374
  352    HG1  THR  42           HG1      THR  42   3.053 -12.193   8.134
  353   1HG2  THR  42          1HG2      THR  42   3.126  -9.104   7.678
  354   2HG2  THR  42          2HG2      THR  42   1.415  -8.968   8.055
  355   3HG2  THR  42          3HG2      THR  42   1.958  -8.872   6.375
  356    H    ILE  43           H        ILE  43  -0.556  -9.303   5.851
  357    HA   ILE  43           HA       ILE  43  -2.509  -8.770   7.973
  358    HB   ILE  43           HB       ILE  43  -1.260  -7.174   8.967
  359   1HG1  ILE  43          2HG1      ILE  43  -2.882  -5.830   7.507
  360   2HG1  ILE  43          1HG1      ILE  43  -1.475  -4.962   8.112
  361   1HG2  ILE  43          1HG2      ILE  43   0.564  -6.050   7.185
  362   2HG2  ILE  43          2HG2      ILE  43   0.522  -7.756   6.760
  363   3HG2  ILE  43          3HG2      ILE  43   0.898  -7.267   8.412
  364   1HD1  ILE  43          1HD1      ILE  43  -0.869  -6.272   5.591
  365   2HD1  ILE  43          2HD1      ILE  43  -0.722  -4.567   6.022
  366   3HD1  ILE  43          3HD1      ILE  43  -2.258  -5.198   5.426
  367    H    SER  44           H        SER  44  -4.176  -7.249   7.318
  368    HA   SER  44           HA       SER  44  -4.276  -6.423   4.545
  369   1HB   SER  44          2HB       SER  44  -6.672  -7.699   4.628
  370   2HB   SER  44          1HB       SER  44  -5.225  -8.412   3.920
  371    HG   SER  44           HG       SER  44  -6.005  -8.668   6.640
  372    H    HIS  45           H        HIS  45  -5.006  -4.342   4.883
  373    HA   HIS  45           HA       HIS  45  -6.974  -3.955   7.062
  374   1HB   HIS  45          2HB       HIS  45  -5.955  -1.520   5.931
  375   2HB   HIS  45          1HB       HIS  45  -5.891  -2.063   7.608
  376    HD1  HIS  45           HD1      HIS  45  -3.602  -2.711   8.455
  377    HD2  HIS  45           HD2      HIS  45  -3.793  -2.608   4.302
  378    HE1  HIS  45           HE1      HIS  45  -1.230  -3.052   7.628
  379    H    MET  46           H        MET  46  -8.966  -3.515   6.477
  380    HA   MET  46           HA       MET  46  -9.717  -3.129   3.733
  381   1HB   MET  46          2HB       MET  46 -11.062  -3.628   6.210
  382   2HB   MET  46          1HB       MET  46 -11.781  -2.195   5.477
  383   1HG   MET  46          2HG       MET  46 -12.500  -3.345   3.597
  384   2HG   MET  46          1HG       MET  46 -11.231  -4.563   3.730
  385   1HE   MET  46          1HE       MET  46 -13.342  -5.735   2.881
  386   2HE   MET  46          2HE       MET  46 -14.781  -4.914   3.479
  387   3HE   MET  46          3HE       MET  46 -14.472  -6.585   3.943
  388    H    TYR  47           H        TYR  47  -9.211  -1.281   2.722
  389    HA   TYR  47           HA       TYR  47  -8.281   1.034   3.708
  390   1HB   TYR  47          2HB       TYR  47  -9.896   0.422   1.275
  391   2HB   TYR  47          1HB       TYR  47  -9.665   2.116   1.686
  392    HD1  TYR  47           HD1      TYR  47  -6.787   1.406   3.046
  393    HD2  TYR  47           HD2      TYR  47  -8.567   0.719  -0.810
  394    HE1  TYR  47           HE1      TYR  47  -4.557   1.375   2.011
  395    HE2  TYR  47           HE2      TYR  47  -6.335   0.672  -1.822
  396    HH   TYR  47           HH       TYR  47  -4.038   1.668  -1.252
  397    H    ALA  48           H        ALA  48 -11.780   0.255   3.628
  398    HA   ALA  48           HA       ALA  48 -12.575   2.837   4.668
  399   1HB   ALA  48          1HB       ALA  48 -13.964   0.141   4.621
  400   2HB   ALA  48          2HB       ALA  48 -14.226   1.496   3.517
  401   3HB   ALA  48          3HB       ALA  48 -14.720   1.623   5.209
  402    H    ASP  49           H        ASP  49 -11.705  -0.232   5.922
  403    HA   ASP  49           HA       ASP  49 -12.187   0.120   8.703
  404   1HB   ASP  49          2HB       ASP  49 -10.289  -1.688   7.185
  405   2HB   ASP  49          1HB       ASP  49 -10.510  -1.755   8.932
  406    H    ILE  50           H        ILE  50 -10.232   1.822   6.763
  407    HA   ILE  50           HA       ILE  50  -8.510   2.589   9.000
  408    HB   ILE  50           HB       ILE  50  -6.570   2.749   7.340
  409   1HG1  ILE  50          2HG1      ILE  50  -8.570   1.094   5.804
  410   2HG1  ILE  50          1HG1      ILE  50  -7.651   2.485   5.242
  411   1HG2  ILE  50          1HG2      ILE  50  -6.742   1.079   9.141
  412   2HG2  ILE  50          2HG2      ILE  50  -5.991   0.385   7.704
  413   3HG2  ILE  50          3HG2      ILE  50  -7.679   0.030   8.079
  414   1HD1  ILE  50          1HD1      ILE  50  -6.969  -0.187   4.846
  415   2HD1  ILE  50          2HD1      ILE  50  -5.905   0.322   6.154
  416   3HD1  ILE  50          3HD1      ILE  50  -5.901   1.196   4.629
  417    H    LYS  51           H        LYS  51  -8.307   4.957   9.049
  418    HA   LYS  51           HA       LYS  51  -8.942   6.225   6.468
  419   1HB   LYS  51          2HB       LYS  51 -10.992   6.106   8.025
  420   2HB   LYS  51          1HB       LYS  51 -10.146   7.318   8.990
  421   1HG   LYS  51          2HG       LYS  51 -10.591   7.602   6.011
  422   2HG   LYS  51          1HG       LYS  51 -11.681   8.293   7.218
  423   1HD   LYS  51          2HD       LYS  51  -9.468   9.320   8.205
  424   2HD   LYS  51          1HD       LYS  51  -8.824   9.016   6.591
  425   1HE   LYS  51          2HE       LYS  51  -9.673  11.224   6.474
  426   2HE   LYS  51          1HE       LYS  51 -10.932  10.240   5.729
  427   1HZ   LYS  51          1HZ       LYS  51 -11.152  10.582   8.548
  428   2HZ   LYS  51          2HZ       LYS  51 -12.292  10.641   7.427
  429   3HZ   LYS  51          3HZ       LYS  51 -11.372  11.921   7.699
  430    H    CYS  52           H        CYS  52  -7.097   7.123   6.119
  431    HA   CYS  52           HA       CYS  52  -6.392   9.564   7.110
  432   1HB   CYS  52          2HB       CYS  52  -5.353   7.342   8.673
  433   2HB   CYS  52          1HB       CYS  52  -4.097   8.436   8.109
  434    HG   CYS  52           HG       CYS  52  -6.148  10.219   9.187
  435    H    GLN  53           H        GLN  53  -5.138  10.332   5.394
  436    HA   GLN  53           HA       GLN  53  -3.472   8.296   4.074
  437   1HB   GLN  53          2HB       GLN  53  -5.824   9.716   2.928
  438   2HB   GLN  53          1HB       GLN  53  -4.438   9.435   1.873
  439   1HG   GLN  53          2HG       GLN  53  -5.755   7.271   3.533
  440   2HG   GLN  53          1HG       GLN  53  -6.135   7.574   1.838
  441   1HE2  GLN  53          1HE2      GLN  53  -5.227   5.172   1.832
  442   2HE2  GLN  53          2HE2      GLN  53  -3.560   5.023   1.547
  443    H    LYS  54           H        LYS  54  -1.552   9.033   3.800
  444    HA   LYS  54           HA       LYS  54  -1.132  11.838   3.010
  445   1HB   LYS  54          2HB       LYS  54  -0.375  12.071   5.190
  446   2HB   LYS  54          1HB       LYS  54  -0.071  10.344   5.372
  447   1HG   LYS  54          2HG       LYS  54   2.023  10.472   4.311
  448   2HG   LYS  54          1HG       LYS  54   1.646  12.016   3.543
  449   1HD   LYS  54          2HD       LYS  54   2.534  13.126   5.286
  450   2HD   LYS  54          1HD       LYS  54   1.413  12.324   6.386
  451   1HE   LYS  54          2HE       LYS  54   2.972  10.817   7.076
  452   2HE   LYS  54          1HE       LYS  54   3.640  10.625   5.456
  453   1HZ   LYS  54          1HZ       LYS  54   4.256  12.668   7.417
  454   2HZ   LYS  54          2HZ       LYS  54   4.544  12.929   5.865
  455   3HZ   LYS  54          3HZ       LYS  54   5.267  11.717   6.619
  456    H    ILE  55           H        ILE  55  -0.307  11.560   0.952
  457    HA   ILE  55           HA       ILE  55   1.845   9.574   0.656
  458    HB   ILE  55           HB       ILE  55  -0.164   9.821  -1.547
  459   1HG1  ILE  55          2HG1      ILE  55  -1.438   9.433   0.611
  460   2HG1  ILE  55          1HG1      ILE  55  -1.600   8.140  -0.578
  461   1HG2  ILE  55          1HG2      ILE  55   1.991   8.014  -0.651
  462   2HG2  ILE  55          2HG2      ILE  55   1.408   8.350  -2.281
  463   3HG2  ILE  55          3HG2      ILE  55   0.554   7.193  -1.260
  464   1HD1  ILE  55          1HD1      ILE  55  -0.605   6.640   0.783
  465   2HD1  ILE  55          2HD1      ILE  55  -0.786   7.833   2.069
  466   3HD1  ILE  55          3HD1      ILE  55   0.717   7.749   1.149
  467    H    SER  56           H        SER  56   3.444  11.034   0.271
  468    HA   SER  56           HA       SER  56   2.960  12.926  -1.947
  469   1HB   SER  56          2HB       SER  56   4.867  14.231  -0.828
  470   2HB   SER  56          1HB       SER  56   3.304  14.251  -0.016
  471    HG   SER  56           HG       SER  56   4.070  12.954   1.516
  472    HA   PRO  57           HA       PRO  57   6.786  10.435  -2.594
  473   1HB   PRO  57          2HB       PRO  57   5.742   8.255  -4.152
  474   2HB   PRO  57          1HB       PRO  57   6.660   8.233  -2.646
  475   1HG   PRO  57          2HG       PRO  57   3.905   7.644  -2.940
  476   2HG   PRO  57          1HG       PRO  57   4.825   7.730  -1.468
  477   1HD   PRO  57          2HD       PRO  57   2.868   9.625  -2.434
  478   2HD   PRO  57          1HD       PRO  57   3.735   9.616  -0.889
  479    H    GLU  58           H        GLU  58   5.865  12.558  -3.909
  480    HA   GLU  58           HA       GLU  58   6.000  11.823  -6.761
  481   1HB   GLU  58          2HB       GLU  58   4.633  13.611  -7.216
  482   2HB   GLU  58          1HB       GLU  58   4.146  13.371  -5.542
  483   1HG   GLU  58          2HG       GLU  58   6.037  15.003  -4.927
  484   2HG   GLU  58          1HG       GLU  58   6.073  15.417  -6.641
  485    H    GLY  59           H        GLY  59   7.559  13.453  -4.103
  486   1HA   GLY  59          2HA       GLY  59   9.921  13.834  -5.746
  487   2HA   GLY  59          1HA       GLY  59   9.292  15.261  -4.907
  488    H    LYS  60           H        LYS  60   8.822  12.086  -3.541
  489    HA   LYS  60           HA       LYS  60  10.174  12.937  -1.131
  490   1HB   LYS  60          2HB       LYS  60   8.223  10.931  -1.908
  491   2HB   LYS  60          1HB       LYS  60   9.430  10.275  -0.819
  492   1HG   LYS  60          2HG       LYS  60   7.422  11.317   0.328
  493   2HG   LYS  60          1HG       LYS  60   8.986  11.950   0.839
  494   1HD   LYS  60          2HD       LYS  60   8.218  13.517  -1.380
  495   2HD   LYS  60          1HD       LYS  60   6.774  13.353  -0.381
  496   1HE   LYS  60          2HE       LYS  60   9.494  14.344   0.512
  497   2HE   LYS  60          1HE       LYS  60   8.006  15.285   0.401
  498   1HZ   LYS  60          1HZ       LYS  60   7.265  13.319   1.966
  499   2HZ   LYS  60          2HZ       LYS  60   7.858  14.695   2.529
  500   3HZ   LYS  60          3HZ       LYS  60   8.805  13.412   2.396
  501    H    ALA  61           H        ALA  61  11.114  10.764  -0.018
  502    HA   ALA  61           HA       ALA  61  13.736  10.508  -0.971
  503   1HB   ALA  61          1HB       ALA  61  13.651   9.875   1.230
  504   2HB   ALA  61          2HB       ALA  61  13.485   8.272   0.513
  505   3HB   ALA  61          3HB       ALA  61  12.055   9.143   1.065
  506    H    LYS  62           H        LYS  62  11.258   7.864  -0.949
  507    HA   LYS  62           HA       LYS  62  11.983   7.254  -3.680
  508   1HB   LYS  62          2HB       LYS  62  12.484   4.781  -2.472
  509   2HB   LYS  62          1HB       LYS  62  13.654   5.830  -3.258
  510   1HG   LYS  62          2HG       LYS  62  14.223   6.902  -1.182
  511   2HG   LYS  62          1HG       LYS  62  12.825   6.200  -0.358
  512   1HD   LYS  62          2HD       LYS  62  13.907   4.252   0.045
  513   2HD   LYS  62          1HD       LYS  62  14.604   4.202  -1.576
  514   1HE   LYS  62          2HE       LYS  62  16.561   4.646  -0.504
  515   2HE   LYS  62          1HE       LYS  62  15.964   6.305  -0.474
  516   1HZ   LYS  62          1HZ       LYS  62  15.555   6.150   1.688
  517   2HZ   LYS  62          2HZ       LYS  62  16.589   4.929   1.684
  518   3HZ   LYS  62          3HZ       LYS  62  15.015   4.645   1.629
  519    H    ILE  63           H        ILE  63   9.336   7.739  -2.746
  520    HA   ILE  63           HA       ILE  63   7.365   6.916  -3.017
  521    HB   ILE  63           HB       ILE  63   7.223   5.576  -4.722
  522   1HG1  ILE  63          2HG1      ILE  63   7.751   2.994  -3.498
  523   2HG1  ILE  63          1HG1      ILE  63   6.679   3.987  -2.523
  524   1HG2  ILE  63          1HG2      ILE  63   9.606   3.840  -4.121
  525   2HG2  ILE  63          2HG2      ILE  63   9.815   5.476  -4.758
  526   3HG2  ILE  63          3HG2      ILE  63   8.908   4.291  -5.677
  527   1HD1  ILE  63          1HD1      ILE  63   5.846   2.505  -4.646
  528   2HD1  ILE  63          2HD1      ILE  63   6.104   4.081  -5.396
  529   3HD1  ILE  63          3HD1      ILE  63   5.004   3.924  -4.027
  530    H    GLN  64           H        GLN  64   6.978   7.418  -1.051
  531    HA   GLN  64           HA       GLN  64   6.772   5.163   0.867
  532   1HB   GLN  64          2HB       GLN  64   7.621   6.437   2.608
  533   2HB   GLN  64          1HB       GLN  64   8.558   7.086   1.263
  534   1HG   GLN  64          2HG       GLN  64   6.560   8.766   1.047
  535   2HG   GLN  64          1HG       GLN  64   6.258   8.329   2.727
  536   1HE2  GLN  64          1HE2      GLN  64   9.458   7.872   2.691
  537   2HE2  GLN  64          2HE2      GLN  64  10.017   9.440   3.013
  538    H    LEU  65           H        LEU  65   4.721   4.933   1.740
  539    HA   LEU  65           HA       LEU  65   2.919   7.241   1.397
  540   1HB   LEU  65          2HB       LEU  65   1.082   5.841   0.734
  541   2HB   LEU  65          1HB       LEU  65   2.442   5.470  -0.307
  542    HG   LEU  65           HG       LEU  65   1.339   3.419   0.338
  543   1HD1  LEU  65          1HD1      LEU  65   3.992   3.811   0.453
  544   2HD1  LEU  65          2HD1      LEU  65   3.245   2.240   0.747
  545   3HD1  LEU  65          3HD1      LEU  65   3.711   3.262   2.105
  546   1HD2  LEU  65          1HD2      LEU  65   0.611   4.580   2.626
  547   2HD2  LEU  65          2HD2      LEU  65   2.035   3.725   3.221
  548   3HD2  LEU  65          3HD2      LEU  65   0.716   2.827   2.469
  549    H    GLN  66           H        GLN  66   1.038   7.187   2.930
  550    HA   GLN  66           HA       GLN  66   1.489   5.562   5.326
  551   1HB   GLN  66          2HB       GLN  66   2.613   8.092   5.148
  552   2HB   GLN  66          1HB       GLN  66   1.103   8.374   6.015
  553   1HG   GLN  66          2HG       GLN  66   1.679   6.594   7.617
  554   2HG   GLN  66          1HG       GLN  66   3.186   6.297   6.750
  555   1HE2  GLN  66          1HE2      GLN  66   4.953   7.722   7.141
  556   2HE2  GLN  66          2HE2      GLN  66   4.875   9.024   8.227
  557    H    LEU  67           H        LEU  67  -0.428   4.964   6.130
  558    HA   LEU  67           HA       LEU  67  -2.785   6.704   5.723
  559   1HB   LEU  67          2HB       LEU  67  -2.930   5.029   3.985
  560   2HB   LEU  67          1HB       LEU  67  -2.494   3.746   5.110
  561    HG   LEU  67           HG       LEU  67  -4.843   5.287   5.954
  562   1HD1  LEU  67          1HD1      LEU  67  -6.222   3.879   4.223
  563   2HD1  LEU  67          2HD1      LEU  67  -4.733   3.933   3.279
  564   3HD1  LEU  67          3HD1      LEU  67  -5.545   5.431   3.733
  565   1HD2  LEU  67          1HD2      LEU  67  -3.821   2.510   5.860
  566   2HD2  LEU  67          2HD2      LEU  67  -5.571   2.690   5.783
  567   3HD2  LEU  67          3HD2      LEU  67  -4.680   3.348   7.153
  568    H    VAL  68           H        VAL  68  -4.394   6.357   7.451
  569    HA   VAL  68           HA       VAL  68  -3.257   4.765   9.638
  570    HB   VAL  68           HB       VAL  68  -4.763   7.278  10.257
  571   1HG1  VAL  68          1HG1      VAL  68  -4.517   5.869  12.143
  572   2HG1  VAL  68          2HG1      VAL  68  -3.183   7.013  12.279
  573   3HG1  VAL  68          3HG1      VAL  68  -2.887   5.391  11.661
  574   1HG2  VAL  68          1HG2      VAL  68  -2.967   8.563   9.786
  575   2HG2  VAL  68          2HG2      VAL  68  -2.315   7.183   8.899
  576   3HG2  VAL  68          3HG2      VAL  68  -1.899   7.418  10.597
  577    H    LEU  69           H        LEU  69  -4.634   4.102  11.194
  578    HA   LEU  69           HA       LEU  69  -7.094   3.041  10.113
  579   1HB   LEU  69          2HB       LEU  69  -5.691   2.697  12.777
  580   2HB   LEU  69          1HB       LEU  69  -6.934   1.637  12.151
  581    HG   LEU  69           HG       LEU  69  -4.138   1.407  11.796
  582   1HD1  LEU  69          1HD1      LEU  69  -6.534  -0.024  10.937
  583   2HD1  LEU  69          2HD1      LEU  69  -5.037  -0.638  11.637
  584   3HD1  LEU  69          3HD1      LEU  69  -5.118  -0.277   9.908
  585   1HD2  LEU  69          1HD2      LEU  69  -5.440   2.410   9.301
  586   2HD2  LEU  69          2HD2      LEU  69  -4.120   1.247   9.221
  587   3HD2  LEU  69          3HD2      LEU  69  -3.865   2.814   9.983
  588    H    HIS  70           H        HIS  70  -9.190   3.523  11.009
  589    HA   HIS  70           HA       HIS  70  -9.717   6.053  12.012
  590   1HB   HIS  70          2HB       HIS  70 -11.720   4.834  13.186
  591   2HB   HIS  70          1HB       HIS  70 -11.635   4.806  11.424
  592    HD1  HIS  70           HD1      HIS  70 -11.089   2.634  14.452
  593    HD2  HIS  70           HD2      HIS  70 -11.078   2.266  10.299
  594    HE1  HIS  70           HE1      HIS  70 -10.998   0.153  13.953
  595    H    ALA  71           H        ALA  71  -8.592   3.175  13.503
  596    HA   ALA  71           HA       ALA  71  -8.711   4.135  16.229
  597   1HB   ALA  71          1HB       ALA  71  -8.724   1.679  15.519
  598   2HB   ALA  71          2HB       ALA  71  -7.591   2.095  16.806
  599   3HB   ALA  71          3HB       ALA  71  -7.009   1.872  15.156
  600    H    GLY  72           H        GLY  72  -5.995   3.327  16.937
  601   1HA   GLY  72          2HA       GLY  72  -4.577   5.676  15.878
  602   2HA   GLY  72          1HA       GLY  72  -4.310   4.956  17.468
  603    H    ASP  73           H        ASP  73  -4.558   3.654  14.288
  604    HA   ASP  73           HA       ASP  73  -1.844   2.500  14.604
  605   1HB   ASP  73          2HB       ASP  73  -3.343   0.680  14.957
  606   2HB   ASP  73          1HB       ASP  73  -4.367   1.154  13.616
  607    H    THR  74           H        THR  74  -0.529   2.953  12.951
  608    HA   THR  74           HA       THR  74  -1.782   4.149  10.580
  609    HB   THR  74           HB       THR  74   1.135   4.402  11.110
  610    HG1  THR  74           HG1      THR  74  -0.903   5.731  12.563
  611   1HG2  THR  74          1HG2      THR  74   0.163   6.867  10.503
  612   2HG2  THR  74          2HG2      THR  74  -1.048   5.845   9.728
  613   3HG2  THR  74          3HG2      THR  74   0.653   5.685   9.289
  614    H    THR  75           H        THR  75  -0.585   3.685   8.509
  615    HA   THR  75           HA       THR  75   0.787   1.104   8.596
  616    HB   THR  75           HB       THR  75  -1.209   1.803   6.440
  617    HG1  THR  75           HG1      THR  75  -1.644   0.666   8.975
  618   1HG2  THR  75          1HG2      THR  75   0.351   0.019   5.928
  619   2HG2  THR  75          2HG2      THR  75  -1.231  -0.698   6.232
  620   3HG2  THR  75          3HG2      THR  75   0.021  -0.766   7.472
  621    H    ASN  76           H        ASN  76   2.799   1.885   7.945
  622    HA   ASN  76           HA       ASN  76   2.775   3.877   5.768
  623   1HB   ASN  76          2HB       ASN  76   5.086   3.181   7.592
  624   2HB   ASN  76          1HB       ASN  76   4.914   4.595   6.553
  625   1HD2  ASN  76          1HD2      ASN  76   5.424   5.017   9.282
  626   2HD2  ASN  76          2HD2      ASN  76   4.033   5.631  10.036
  627    H    PHE  77           H        PHE  77   4.058   3.387   3.915
  628    HA   PHE  77           HA       PHE  77   5.408   0.799   4.046
  629   1HB   PHE  77          2HB       PHE  77   2.892   1.242   2.733
  630   2HB   PHE  77          1HB       PHE  77   4.133   0.809   1.555
  631    HD1  PHE  77           HD1      PHE  77   5.937  -0.887   2.759
  632    HD2  PHE  77           HD2      PHE  77   1.709  -0.687   3.491
  633    HE1  PHE  77           HE1      PHE  77   5.966  -3.227   3.541
  634    HE2  PHE  77           HE2      PHE  77   1.736  -3.031   4.272
  635    HZ   PHE  77           HZ       PHE  77   3.884  -4.282   4.296
  636    H    HIS  78           H        HIS  78   7.088   0.596   2.728
  637    HA   HIS  78           HA       HIS  78   7.661   2.797   0.833
  638   1HB   HIS  78          2HB       HIS  78   8.688   3.359   3.098
  639   2HB   HIS  78          1HB       HIS  78   9.744   1.964   2.866
  640    HD1  HIS  78           HD1      HIS  78  11.260   1.998   0.667
  641    HD2  HIS  78           HD2      HIS  78   9.462   5.645   1.529
  642    HE1  HIS  78           HE1      HIS  78  12.350   3.735  -0.812
  643    H    PHE  79           H        PHE  79   9.014   2.264  -0.762
  644    HA   PHE  79           HA       PHE  79   9.799  -0.592  -0.940
  645   1HB   PHE  79          2HB       PHE  79   9.384   1.452  -3.103
  646   2HB   PHE  79          1HB       PHE  79   9.501  -0.289  -3.294
  647    HD1  PHE  79           HD1      PHE  79   7.425   2.407  -1.720
  648    HD2  PHE  79           HD2      PHE  79   7.555  -1.628  -3.160
  649    HE1  PHE  79           HE1      PHE  79   4.949   2.245  -1.464
  650    HE2  PHE  79           HE2      PHE  79   5.081  -1.793  -2.897
  651    HZ   PHE  79           HZ       PHE  79   3.798   0.135  -2.048
  652    H    SER  80           H        SER  80  12.216  -0.911  -1.450
  653    HA   SER  80           HA       SER  80  13.642   1.207  -2.549
  654   1HB   SER  80          2HB       SER  80  13.082   2.190  -0.288
  655   2HB   SER  80          1HB       SER  80  14.120   0.947   0.403
  656    HG   SER  80           HG       SER  80  15.341   2.788   0.019
  657    H    ASN  81           H        ASN  81  15.185   0.067  -3.517
  658    HA   ASN  81           HA       ASN  81  16.881  -1.696  -1.947
  659   1HB   ASN  81          2HB       ASN  81  15.282  -2.680  -4.322
  660   2HB   ASN  81          1HB       ASN  81  16.691  -3.519  -3.695
  661   1HD2  ASN  81          1HD2      ASN  81  13.459  -2.323  -2.646
  662   2HD2  ASN  81          2HD2      ASN  81  13.255  -3.504  -1.440
  663    H    GLU  82           H        GLU  82  18.399  -2.708  -4.084
  664    HA   GLU  82           HA       GLU  82  20.031  -0.583  -4.760
  665   1HB   GLU  82          2HB       GLU  82  19.529  -2.879  -6.658
  666   2HB   GLU  82          1HB       GLU  82  21.036  -2.009  -6.370
  667   1HG   GLU  82          2HG       GLU  82  21.594  -3.548  -4.830
  668   2HG   GLU  82          1HG       GLU  82  20.208  -3.043  -3.865
  669    H    SER  83           H        SER  83  17.204  -1.858  -6.488
  670    HA   SER  83           HA       SER  83  16.882   0.759  -7.734
  671   1HB   SER  83          2HB       SER  83  17.293  -1.751  -9.332
  672   2HB   SER  83          1HB       SER  83  16.624  -0.259  -9.982
  673    HG   SER  83           HG       SER  83  18.547   0.776  -9.504
  674    H    THR  84           H        THR  84  15.274  -0.935  -5.848
  675    HA   THR  84           HA       THR  84  13.076  -1.777  -7.585
  676    HB   THR  84           HB       THR  84  11.973  -2.408  -5.425
  677    HG1  THR  84           HG1      THR  84  12.815  -1.114  -3.931
  678   1HG2  THR  84          1HG2      THR  84  13.208  -4.121  -6.532
  679   2HG2  THR  84          2HG2      THR  84  13.710  -4.181  -4.842
  680   3HG2  THR  84          3HG2      THR  84  14.751  -3.420  -6.045
  681    H    ALA  85           H        ALA  85  13.897   0.864  -5.404
  682    HA   ALA  85           HA       ALA  85  11.222   1.861  -5.365
  683   1HB   ALA  85          1HB       ALA  85  13.766   2.499  -4.112
  684   2HB   ALA  85          2HB       ALA  85  12.132   2.874  -3.565
  685   3HB   ALA  85          3HB       ALA  85  12.959   3.960  -4.681
  686    H    VAL  86           H        VAL  86  10.881   1.866  -7.573
  687    HA   VAL  86           HA       VAL  86  11.486   4.449  -8.765
  688    HB   VAL  86           HB       VAL  86  11.862   2.113 -10.593
  689   1HG1  VAL  86          1HG1      VAL  86  13.732   4.348 -10.707
  690   2HG1  VAL  86          2HG1      VAL  86  12.055   4.893 -10.764
  691   3HG1  VAL  86          3HG1      VAL  86  12.647   3.734 -11.955
  692   1HG2  VAL  86          1HG2      VAL  86  13.986   3.150  -8.685
  693   2HG2  VAL  86          2HG2      VAL  86  14.274   2.032 -10.019
  694   3HG2  VAL  86          3HG2      VAL  86  13.273   1.537  -8.654
  695    H    LYS  87           H        LYS  87  10.515   3.427 -11.407
  696    HA   LYS  87           HA       LYS  87   7.846   4.092 -11.241
  697   1HB   LYS  87          2HB       LYS  87   9.406   3.617 -13.297
  698   2HB   LYS  87          1HB       LYS  87   8.732   1.990 -13.190
  699   1HG   LYS  87          2HG       LYS  87   7.021   2.805 -14.430
  700   2HG   LYS  87          1HG       LYS  87   6.489   3.581 -12.938
  701   1HD   LYS  87          2HD       LYS  87   6.604   5.280 -14.657
  702   2HD   LYS  87          1HD       LYS  87   7.937   5.553 -13.534
  703   1HE   LYS  87          2HE       LYS  87   8.576   5.682 -15.983
  704   2HE   LYS  87          1HE       LYS  87   9.515   4.528 -15.035
  705   1HZ   LYS  87          1HZ       LYS  87   7.141   3.723 -16.503
  706   2HZ   LYS  87          2HZ       LYS  87   8.307   2.790 -15.929
  707   3HZ   LYS  87          3HZ       LYS  87   8.585   3.729 -17.194
  708    H    GLU  88           H        GLU  88   9.347   1.039 -10.490
  709    HA   GLU  88           HA       GLU  88   7.079  -0.648 -10.629
  710   1HB   GLU  88          2HB       GLU  88   8.723  -1.161  -8.247
  711   2HB   GLU  88          1HB       GLU  88   8.413  -2.198  -9.615
  712   1HG   GLU  88          2HG       GLU  88  10.072  -0.509 -10.828
  713   2HG   GLU  88          1HG       GLU  88  10.639  -0.271  -9.179
  714    H    ARG  89           H        ARG  89   8.462   0.608  -7.701
  715    HA   ARG  89           HA       ARG  89   6.159   0.437  -6.121
  716   1HB   ARG  89          2HB       ARG  89   8.107   2.650  -5.621
  717   2HB   ARG  89          1HB       ARG  89   7.410   1.496  -4.489
  718   1HG   ARG  89          2HG       ARG  89   9.617   0.984  -6.496
  719   2HG   ARG  89          1HG       ARG  89   9.748   0.912  -4.757
  720   1HD   ARG  89          2HD       ARG  89   8.561  -1.105  -4.608
  721   2HD   ARG  89          1HD       ARG  89   7.751  -0.856  -6.145
  722    HE   ARG  89           HE       ARG  89  10.391  -1.081  -6.819
  723   1HH1  ARG  89          1HH2      ARG  89   8.098  -2.905  -4.986
  724   2HH1  ARG  89          2HH2      ARG  89   8.826  -4.432  -5.357
  725   1HH2  ARG  89          1HH1      ARG  89  11.343  -3.068  -7.309
  726   2HH2  ARG  89          2HH1      ARG  89  10.658  -4.525  -6.669
  727    H    ASP  90           H        ASP  90   7.417   2.947  -8.227
  728    HA   ASP  90           HA       ASP  90   5.549   4.980  -7.613
  729   1HB   ASP  90          2HB       ASP  90   7.647   4.712  -9.387
  730   2HB   ASP  90          1HB       ASP  90   6.248   4.733 -10.461
  731    H    ALA  91           H        ALA  91   5.201   1.915  -9.086
  732    HA   ALA  91           HA       ALA  91   2.732   2.591 -10.480
  733   1HB   ALA  91          1HB       ALA  91   4.638   0.576 -10.775
  734   2HB   ALA  91          2HB       ALA  91   3.049   0.613 -11.539
  735   3HB   ALA  91          3HB       ALA  91   3.274  -0.244 -10.014
  736    H    VAL  92           H        VAL  92   3.932   0.972  -7.559
  737    HA   VAL  92           HA       VAL  92   1.400   0.084  -6.613
  738    HB   VAL  92           HB       VAL  92   3.780   1.052  -4.990
  739   1HG1  VAL  92          1HG1      VAL  92   2.185   0.795  -3.366
  740   2HG1  VAL  92          2HG1      VAL  92   2.588  -0.914  -3.548
  741   3HG1  VAL  92          3HG1      VAL  92   1.182  -0.246  -4.375
  742   1HG2  VAL  92          1HG2      VAL  92   4.280  -1.431  -4.872
  743   2HG2  VAL  92          2HG2      VAL  92   4.534  -0.706  -6.461
  744   3HG2  VAL  92          3HG2      VAL  92   3.084  -1.662  -6.149
  745    H    LYS  93           H        LYS  93   3.280   2.880  -5.356
  746    HA   LYS  93           HA       LYS  93   1.236   4.262  -4.171
  747   1HB   LYS  93          2HB       LYS  93   3.450   5.129  -3.996
  748   2HB   LYS  93          1HB       LYS  93   3.635   5.218  -5.746
  749   1HG   LYS  93          2HG       LYS  93   1.664   6.901  -5.672
  750   2HG   LYS  93          1HG       LYS  93   1.989   6.992  -3.942
  751   1HD   LYS  93          2HD       LYS  93   3.546   8.548  -4.459
  752   2HD   LYS  93          1HD       LYS  93   4.511   7.210  -5.082
  753   1HE   LYS  93          2HE       LYS  93   3.025   7.560  -7.245
  754   2HE   LYS  93          1HE       LYS  93   2.816   9.179  -6.577
  755   1HZ   LYS  93          1HZ       LYS  93   5.414   8.800  -6.334
  756   2HZ   LYS  93          2HZ       LYS  93   4.743   9.532  -7.588
  757   3HZ   LYS  93          3HZ       LYS  93   5.143   7.986  -7.686
  758    H    ASP  94           H        ASP  94   2.004   4.080  -7.646
  759    HA   ASP  94           HA       ASP  94   0.285   6.064  -8.588
  760   1HB   ASP  94          2HB       ASP  94   1.488   3.594  -9.659
  761   2HB   ASP  94          1HB       ASP  94   0.018   4.112 -10.480
  762    H    LEU  95           H        LEU  95  -0.424   2.838  -7.356
  763    HA   LEU  95           HA       LEU  95  -3.252   3.144  -8.126
  764   1HB   LEU  95          2HB       LEU  95  -1.630   0.916  -6.898
  765   2HB   LEU  95          1HB       LEU  95  -3.391   0.864  -6.899
  766    HG   LEU  95           HG       LEU  95  -2.716  -0.306  -8.865
  767   1HD1  LEU  95          1HD1      LEU  95  -4.039   0.789 -10.357
  768   2HD1  LEU  95          2HD1      LEU  95  -3.101   2.278 -10.243
  769   3HD1  LEU  95          3HD1      LEU  95  -4.312   1.903  -9.017
  770   1HD2  LEU  95          1HD2      LEU  95  -0.391   0.417  -8.943
  771   2HD2  LEU  95          2HD2      LEU  95  -0.883   2.048  -9.396
  772   3HD2  LEU  95          3HD2      LEU  95  -1.143   0.707 -10.510
  773    H    LEU  96           H        LEU  96  -1.258   2.941  -5.195
  774    HA   LEU  96           HA       LEU  96  -3.076   2.913  -3.168
  775   1HB   LEU  96          2HB       LEU  96  -0.743   4.836  -3.296
  776   2HB   LEU  96          1HB       LEU  96  -1.460   4.119  -1.865
  777    HG   LEU  96           HG       LEU  96   0.179   2.767  -4.008
  778   1HD1  LEU  96          1HD1      LEU  96   0.721   2.009  -1.282
  779   2HD1  LEU  96          2HD1      LEU  96   0.694   3.768  -1.404
  780   3HD1  LEU  96          3HD1      LEU  96   1.780   2.830  -2.429
  781   1HD2  LEU  96          1HD2      LEU  96  -0.472   0.754  -2.276
  782   2HD2  LEU  96          2HD2      LEU  96  -1.300   1.035  -3.808
  783   3HD2  LEU  96          3HD2      LEU  96  -1.983   1.663  -2.308
  784    H    GLN  97           H        GLN  97  -1.805   6.094  -4.335
  785    HA   GLN  97           HA       GLN  97  -3.840   7.591  -3.083
  786   1HB   GLN  97          2HB       GLN  97  -3.214   9.282  -4.953
  787   2HB   GLN  97          1HB       GLN  97  -1.993   8.862  -3.755
  788   1HG   GLN  97          2HG       GLN  97  -1.308   8.838  -6.263
  789   2HG   GLN  97          1HG       GLN  97  -0.841   7.456  -5.269
  790   1HE2  GLN  97          1HE2      GLN  97  -1.712   5.426  -5.805
  791   2HE2  GLN  97          2HE2      GLN  97  -2.840   5.179  -7.010
  792    H    GLN  98           H        GLN  98  -4.273   5.395  -5.527
  793    HA   GLN  98           HA       GLN  98  -6.288   6.944  -6.952
  794   1HB   GLN  98          2HB       GLN  98  -4.638   5.412  -8.140
  795   2HB   GLN  98          1HB       GLN  98  -5.506   4.060  -7.411
  796   1HG   GLN  98          2HG       GLN  98  -7.544   5.626  -8.449
  797   2HG   GLN  98          1HG       GLN  98  -6.275   5.762  -9.666
  798   1HE2  GLN  98          1HE2      GLN  98  -6.430   4.149 -11.220
  799   2HE2  GLN  98          2HE2      GLN  98  -6.994   2.572 -10.942
  800    H    LEU  99           H        LEU  99  -5.995   4.166  -4.732
  801    HA   LEU  99           HA       LEU  99  -8.890   3.737  -4.866
  802   1HB   LEU  99          2HB       LEU  99  -7.584   2.468  -2.597
  803   2HB   LEU  99          1HB       LEU  99  -8.477   1.731  -3.903
  804    HG   LEU  99           HG       LEU  99  -6.185   2.407  -5.197
  805   1HD1  LEU  99          1HD1      LEU  99  -5.739   2.421  -2.303
  806   2HD1  LEU  99          2HD1      LEU  99  -4.725   3.029  -3.606
  807   3HD1  LEU  99          3HD1      LEU  99  -4.653   1.329  -3.166
  808   1HD2  LEU  99          1HD2      LEU  99  -6.218   0.169  -5.517
  809   2HD2  LEU  99          2HD2      LEU  99  -7.503   0.067  -4.313
  810   3HD2  LEU  99          3HD2      LEU  99  -5.818  -0.117  -3.823
  811    H    LEU 100           H        LEU 100  -6.620   5.485  -2.864
  812    HA   LEU 100           HA       LEU 100  -8.010   5.606  -0.476
  813   1HB   LEU 100          2HB       LEU 100  -6.936   8.205  -1.486
  814   2HB   LEU 100          1HB       LEU 100  -6.765   7.456   0.093
  815    HG   LEU 100           HG       LEU 100  -5.311   6.718  -2.448
  816   1HD1  LEU 100          1HD1      LEU 100  -4.604   7.967   0.187
  817   2HD1  LEU 100          2HD1      LEU 100  -4.108   8.440  -1.437
  818   3HD1  LEU 100          3HD1      LEU 100  -3.386   7.024  -0.672
  819   1HD2  LEU 100          1HD2      LEU 100  -5.825   5.186   0.065
  820   2HD2  LEU 100          2HD2      LEU 100  -4.206   5.094  -0.626
  821   3HD2  LEU 100          3HD2      LEU 100  -5.601   4.593  -1.580
  822    HA   PRO 101           HA       PRO 101 -10.773   8.898  -2.600
  823   1HB   PRO 101          2HB       PRO 101 -10.676   7.868  -5.376
  824   2HB   PRO 101          1HB       PRO 101 -10.677   9.549  -4.812
  825   1HG   PRO 101          2HG       PRO 101  -8.462   8.217  -5.788
  826   2HG   PRO 101          1HG       PRO 101  -8.379   9.604  -4.689
  827   1HD   PRO 101          2HD       PRO 101  -7.755   6.810  -4.148
  828   2HD   PRO 101          1HD       PRO 101  -7.434   8.235  -3.154
  829    H    LYS 102           H        LYS 102 -10.615   5.542  -2.903
  830    HA   LYS 102           HA       LYS 102 -13.262   5.064  -3.945
  831   1HB   LYS 102          2HB       LYS 102 -11.411   3.466  -4.230
  832   2HB   LYS 102          1HB       LYS 102 -11.315   3.280  -2.476
  833   1HG   LYS 102          2HG       LYS 102 -12.934   1.744  -2.506
  834   2HG   LYS 102          1HG       LYS 102 -14.030   2.868  -3.314
  835   1HD   LYS 102          2HD       LYS 102 -12.768   2.282  -5.476
  836   2HD   LYS 102          1HD       LYS 102 -12.081   0.932  -4.571
  837   1HE   LYS 102          2HE       LYS 102 -13.994  -0.005  -5.583
  838   2HE   LYS 102          1HE       LYS 102 -14.537   0.374  -3.948
  839   1HZ   LYS 102          1HZ       LYS 102 -15.053   2.613  -5.212
  840   2HZ   LYS 102          2HZ       LYS 102 -16.125   1.434  -5.063
  841   3HZ   LYS 102          3HZ       LYS 102 -15.285   1.584  -6.416
  842    H    PHE 103           H        PHE 103 -11.765   4.949  -0.728
  843    HA   PHE 103           HA       PHE 103 -14.445   4.478   0.416
  844   1HB   PHE 103          2HB       PHE 103 -12.729   4.144   2.520
  845   2HB   PHE 103          1HB       PHE 103 -13.221   2.829   1.449
  846    HD1  PHE 103           HD1      PHE 103 -11.830   2.302  -0.569
  847    HD2  PHE 103           HD2      PHE 103 -10.488   4.971   2.516
  848    HE1  PHE 103           HE1      PHE 103  -9.530   2.143  -1.449
  849    HE2  PHE 103           HE2      PHE 103  -8.165   4.799   1.651
  850    HZ   PHE 103           HZ       PHE 103  -7.686   3.388  -0.336
  851    H    LYS 104           H        LYS 104 -12.611   7.064  -0.293
  852    HA   LYS 104           HA       LYS 104 -13.829   8.615   1.842
  853   1HB   LYS 104          2HB       LYS 104 -11.259   7.667   2.275
  854   2HB   LYS 104          1HB       LYS 104 -10.991   9.287   1.632
  855   1HG   LYS 104          2HG       LYS 104 -11.215   9.589   3.981
  856   2HG   LYS 104          1HG       LYS 104 -12.771  10.074   3.307
  857   1HD   LYS 104          2HD       LYS 104 -13.626   7.768   3.758
  858   2HD   LYS 104          1HD       LYS 104 -12.103   7.395   4.559
  859   1HE   LYS 104          2HE       LYS 104 -12.562   9.431   6.041
  860   2HE   LYS 104          1HE       LYS 104 -14.194   9.420   5.379
  861   1HZ   LYS 104          1HZ       LYS 104 -13.557   8.052   7.480
  862   2HZ   LYS 104          2HZ       LYS 104 -13.170   6.942   6.394
  863   3HZ   LYS 104          3HZ       LYS 104 -14.660   7.522   6.448
  864    H    ARG 105           H        ARG 105 -14.827  10.034   0.459
  865    HA   ARG 105           HA       ARG 105 -13.056  11.576  -1.320
  866   1HB   ARG 105          2HB       ARG 105 -14.587  11.429  -3.149
  867   2HB   ARG 105          1HB       ARG 105 -14.372   9.775  -2.575
  868   1HG   ARG 105          2HG       ARG 105 -16.442  10.023  -1.202
  869   2HG   ARG 105          1HG       ARG 105 -16.677  11.626  -1.899
  870   1HD   ARG 105          2HD       ARG 105 -16.358  10.201  -4.170
  871   2HD   ARG 105          1HD       ARG 105 -17.051   8.951  -3.137
  872    HE   ARG 105           HE       ARG 105 -18.671  11.116  -2.725
  873   1HH1  ARG 105          1HH2      ARG 105 -17.479   9.361  -5.453
  874   2HH1  ARG 105          2HH2      ARG 105 -18.880   9.666  -6.422
  875   1HH2  ARG 105          1HH1      ARG 105 -20.501  11.519  -3.983
  876   2HH2  ARG 105          2HH1      ARG 105 -20.588  10.885  -5.592
  877    H    LYS 106           H        LYS 106 -16.292  11.321   0.161
  878    HA   LYS 106           HA       LYS 106 -16.613  14.215   0.021
  879   1HB   LYS 106          2HB       LYS 106 -18.506  12.544  -0.297
  880   2HB   LYS 106          1HB       LYS 106 -18.387  12.210   1.431
  881   1HG   LYS 106          2HG       LYS 106 -19.068  14.376   2.028
  882   2HG   LYS 106          1HG       LYS 106 -18.653  15.043   0.449
  883   1HD   LYS 106          2HD       LYS 106 -20.505  13.807  -0.584
  884   2HD   LYS 106          1HD       LYS 106 -20.907  13.082   0.973
  885   1HE   LYS 106          2HE       LYS 106 -21.928  14.969   1.731
  886   2HE   LYS 106          1HE       LYS 106 -20.724  16.029   0.998
  887   1HZ   LYS 106          1HZ       LYS 106 -21.999  16.260  -0.768
  888   2HZ   LYS 106          2HZ       LYS 106 -23.199  15.605   0.064
  889   3HZ   LYS 106          3HZ       LYS 106 -22.309  14.695  -0.906
  890    H    ALA 107           H        ALA 107 -15.573  15.420   1.536
  891    HA   ALA 107           HA       ALA 107 -15.697  14.485   4.328
  892   1HB   ALA 107          1HB       ALA 107 -13.251  15.189   2.733
  893   2HB   ALA 107          2HB       ALA 107 -13.492  13.863   3.869
  894   3HB   ALA 107          3HB       ALA 107 -13.286  15.509   4.466
  895    H    ASN 108           H        ASN 108 -16.863  16.083   5.293
  896    HA   ASN 108           HA       ASN 108 -15.885  18.802   5.161
  897   1HB   ASN 108          2HB       ASN 108 -18.246  19.619   4.508
  898   2HB   ASN 108          1HB       ASN 108 -17.220  18.997   3.215
  899   1HD2  ASN 108          1HD2      ASN 108 -20.344  18.852   4.222
  900   2HD2  ASN 108          2HD2      ASN 108 -20.750  17.283   3.717
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -15.338 -10.354  -9.082
    2   2H    MET   1          2H        MET   1 -15.380 -11.939  -9.291
    3   3H    MET   1          3H        MET   1 -16.272 -11.261  -8.150
    4    HA   MET   1           HA       MET   1 -17.969 -10.994  -9.490
    5   1HB   MET   1          2HB       MET   1 -16.995  -8.847 -10.081
    6   2HB   MET   1          1HB       MET   1 -15.888  -9.620 -11.216
    7   1HG   MET   1          2HG       MET   1 -18.367 -10.545 -12.039
    8   2HG   MET   1          1HG       MET   1 -18.701  -8.878 -11.572
    9   1HE   MET   1          1HE       MET   1 -16.052  -7.109 -12.408
   10   2HE   MET   1          2HE       MET   1 -17.804  -6.977 -12.270
   11   3HE   MET   1          3HE       MET   1 -17.020  -6.631 -13.810
   12    H    ALA   2           H        ALA   2 -15.792 -11.177 -12.250
   13    HA   ALA   2           HA       ALA   2 -17.228 -13.288 -13.440
   14   1HB   ALA   2          1HB       ALA   2 -14.912 -13.516 -14.715
   15   2HB   ALA   2          2HB       ALA   2 -14.568 -11.992 -13.897
   16   3HB   ALA   2          3HB       ALA   2 -15.953 -12.117 -14.982
   17    H    THR   3           H        THR   3 -13.825 -13.534 -12.363
   18    HA   THR   3           HA       THR   3 -14.338 -16.361 -11.770
   19    HB   THR   3           HB       THR   3 -11.747 -16.230 -11.375
   20    HG1  THR   3           HG1      THR   3 -12.118 -13.781 -11.636
   21   1HG2  THR   3          1HG2      THR   3 -12.956 -17.323 -13.290
   22   2HG2  THR   3          2HG2      THR   3 -11.382 -16.658 -13.726
   23   3HG2  THR   3          3HG2      THR   3 -12.855 -15.791 -14.159
   24    H    SER   4           H        SER   4 -11.809 -14.708 -10.043
   25    HA   SER   4           HA       SER   4 -12.587 -15.634  -7.547
   26   1HB   SER   4          2HB       SER   4 -10.451 -14.247  -8.481
   27   2HB   SER   4          1HB       SER   4 -11.290 -12.969  -7.607
   28    HG   SER   4           HG       SER   4  -9.888 -14.107  -6.232
   29    H    SER   5           H        SER   5 -12.938 -13.697  -5.731
   30    HA   SER   5           HA       SER   5 -15.542 -12.565  -6.514
   31   1HB   SER   5          2HB       SER   5 -14.278 -13.294  -3.880
   32   2HB   SER   5          1HB       SER   5 -15.656 -12.199  -3.946
   33    HG   SER   5           HG       SER   5 -15.740 -14.605  -5.383
   34    H    GLU   6           H        GLU   6 -12.957 -11.540  -4.253
   35    HA   GLU   6           HA       GLU   6 -13.585  -8.794  -4.556
   36   1HB   GLU   6          2HB       GLU   6 -10.863  -9.819  -3.778
   37   2HB   GLU   6          1HB       GLU   6 -11.693  -8.370  -3.216
   38   1HG   GLU   6          2HG       GLU   6 -12.247  -9.649  -1.420
   39   2HG   GLU   6          1HG       GLU   6 -13.476 -10.308  -2.499
   40    H    GLU   7           H        GLU   7 -12.195  -7.165  -5.545
   41    HA   GLU   7           HA       GLU   7 -10.770  -8.216  -7.924
   42   1HB   GLU   7          2HB       GLU   7 -12.011  -5.481  -7.865
   43   2HB   GLU   7          1HB       GLU   7 -11.663  -6.515  -9.251
   44   1HG   GLU   7          2HG       GLU   7 -13.424  -8.121  -8.279
   45   2HG   GLU   7          1HG       GLU   7 -13.908  -6.774  -7.248
   46    H    VAL   8           H        VAL   8  -8.550  -7.928  -7.397
   47    HA   VAL   8           HA       VAL   8  -7.912  -5.579  -5.796
   48    HB   VAL   8           HB       VAL   8  -6.115  -6.778  -5.021
   49   1HG1  VAL   8          1HG1      VAL   8  -8.348  -8.328  -5.305
   50   2HG1  VAL   8          2HG1      VAL   8  -6.895  -8.838  -4.447
   51   3HG1  VAL   8          3HG1      VAL   8  -7.143  -9.319  -6.125
   52   1HG2  VAL   8          1HG2      VAL   8  -4.751  -6.873  -6.956
   53   2HG2  VAL   8          2HG2      VAL   8  -5.916  -7.863  -7.834
   54   3HG2  VAL   8          3HG2      VAL   8  -4.980  -8.565  -6.515
   55    H    LEU   9           H        LEU   9  -6.189  -4.192  -6.447
   56    HA   LEU   9           HA       LEU   9  -6.165  -3.880  -9.365
   57   1HB   LEU   9          2HB       LEU   9  -6.853  -1.914  -8.239
   58   2HB   LEU   9          1HB       LEU   9  -5.533  -2.026  -7.076
   59    HG   LEU   9           HG       LEU   9  -3.906  -1.664  -8.912
   60   1HD1  LEU   9          1HD1      LEU   9  -5.690  -0.598 -10.885
   61   2HD1  LEU   9          2HD1      LEU   9  -6.201  -2.243 -10.508
   62   3HD1  LEU   9          3HD1      LEU   9  -4.552  -1.936 -11.052
   63   1HD2  LEU   9          1HD2      LEU   9  -5.664   0.635  -9.386
   64   2HD2  LEU   9          2HD2      LEU   9  -4.087   0.574  -8.599
   65   3HD2  LEU   9          3HD2      LEU   9  -5.546   0.208  -7.679
   66    H    LEU  10           H        LEU  10  -3.763  -4.593  -6.750
   67    HA   LEU  10           HA       LEU  10  -1.926  -5.363  -8.787
   68   1HB   LEU  10          2HB       LEU  10  -1.818  -2.877  -9.038
   69   2HB   LEU  10          1HB       LEU  10  -1.242  -2.775  -7.375
   70    HG   LEU  10           HG       LEU  10   0.671  -4.237  -7.964
   71   1HD1  LEU  10          1HD1      LEU  10  -0.601  -4.082 -10.707
   72   2HD1  LEU  10          2HD1      LEU  10  -0.238  -5.531  -9.771
   73   3HD1  LEU  10          3HD1      LEU  10   1.075  -4.572 -10.454
   74   1HD2  LEU  10          1HD2      LEU  10   1.055  -2.290 -10.079
   75   2HD2  LEU  10          2HD2      LEU  10   1.809  -2.359  -8.486
   76   3HD2  LEU  10          3HD2      LEU  10   0.257  -1.548  -8.692
   77    H    ILE  11           H        ILE  11   0.175  -6.062  -7.856
   78    HA   ILE  11           HA       ILE  11   0.190  -6.244  -4.924
   79    HB   ILE  11           HB       ILE  11  -0.786  -8.338  -5.514
   80   1HG1  ILE  11          2HG1      ILE  11   2.154  -8.360  -4.981
   81   2HG1  ILE  11          1HG1      ILE  11   0.848  -9.092  -4.070
   82   1HG2  ILE  11          1HG2      ILE  11  -0.475  -8.077  -7.948
   83   2HG2  ILE  11          2HG2      ILE  11   0.019  -9.685  -7.417
   84   3HG2  ILE  11          3HG2      ILE  11   1.237  -8.460  -7.772
   85   1HD1  ILE  11          1HD1      ILE  11   2.006 -10.943  -4.946
   86   2HD1  ILE  11          2HD1      ILE  11   2.271 -10.156  -6.502
   87   3HD1  ILE  11          3HD1      ILE  11   0.663 -10.739  -6.072
   88    H    VAL  12           H        VAL  12   2.302  -5.907  -4.195
   89    HA   VAL  12           HA       VAL  12   4.377  -6.013  -6.297
   90    HB   VAL  12           HB       VAL  12   5.446  -4.417  -4.315
   91   1HG1  VAL  12          1HG1      VAL  12   5.718  -3.913  -6.626
   92   2HG1  VAL  12          2HG1      VAL  12   4.827  -2.547  -5.952
   93   3HG1  VAL  12          3HG1      VAL  12   3.977  -3.784  -6.879
   94   1HG2  VAL  12          1HG2      VAL  12   3.496  -2.640  -4.259
   95   2HG2  VAL  12          2HG2      VAL  12   3.561  -3.921  -3.050
   96   3HG2  VAL  12          3HG2      VAL  12   2.468  -4.057  -4.426
   97    H    LYS  13           H        LYS  13   5.085  -8.028  -5.942
   98    HA   LYS  13           HA       LYS  13   5.444  -9.477  -3.634
   99   1HB   LYS  13          2HB       LYS  13   7.273  -9.356  -6.035
  100   2HB   LYS  13          1HB       LYS  13   7.192 -10.661  -4.869
  101   1HG   LYS  13          2HG       LYS  13   5.608 -11.596  -6.190
  102   2HG   LYS  13          1HG       LYS  13   4.542 -10.285  -5.676
  103   1HD   LYS  13          2HD       LYS  13   5.438  -8.872  -7.521
  104   2HD   LYS  13          1HD       LYS  13   6.409 -10.238  -8.062
  105   1HE   LYS  13          2HE       LYS  13   4.058 -11.486  -8.003
  106   2HE   LYS  13          1HE       LYS  13   3.449  -9.844  -8.210
  107   1HZ   LYS  13          1HZ       LYS  13   5.344 -11.218  -9.947
  108   2HZ   LYS  13          2HZ       LYS  13   4.962  -9.672 -10.097
  109   3HZ   LYS  13          3HZ       LYS  13   3.845 -10.795 -10.318
  110    H    LYS  14           H        LYS  14   7.147  -6.742  -4.640
  111    HA   LYS  14           HA       LYS  14   9.193  -7.251  -2.569
  112   1HB   LYS  14          2HB       LYS  14   9.582  -6.585  -5.244
  113   2HB   LYS  14          1HB       LYS  14   9.790  -5.054  -4.390
  114   1HG   LYS  14          2HG       LYS  14  11.933  -6.250  -4.509
  115   2HG   LYS  14          1HG       LYS  14  11.379  -6.153  -2.835
  116   1HD   LYS  14          2HD       LYS  14  10.774  -8.412  -2.766
  117   2HD   LYS  14          1HD       LYS  14  10.646  -8.533  -4.521
  118   1HE   LYS  14          2HE       LYS  14  12.730  -9.396  -4.501
  119   2HE   LYS  14          1HE       LYS  14  13.298  -7.780  -4.082
  120   1HZ   LYS  14          1HZ       LYS  14  12.493  -9.822  -2.161
  121   2HZ   LYS  14          2HZ       LYS  14  13.030  -8.361  -1.790
  122   3HZ   LYS  14          3HZ       LYS  14  14.006  -9.418  -2.492
  123    H    VAL  15           H        VAL  15   8.602  -6.195  -0.750
  124    HA   VAL  15           HA       VAL  15   8.177  -3.340  -1.033
  125    HB   VAL  15           HB       VAL  15   5.952  -5.078   0.044
  126   1HG1  VAL  15          1HG1      VAL  15   4.969  -3.130   1.006
  127   2HG1  VAL  15          2HG1      VAL  15   6.157  -2.064   0.256
  128   3HG1  VAL  15          3HG1      VAL  15   6.636  -3.127   1.581
  129   1HG2  VAL  15          1HG2      VAL  15   6.442  -3.230  -2.219
  130   2HG2  VAL  15          2HG2      VAL  15   4.866  -3.123  -1.448
  131   3HG2  VAL  15          3HG2      VAL  15   5.407  -4.653  -2.142
  132    H    ARG  16           H        ARG  16   8.708  -2.254   0.776
  133    HA   ARG  16           HA       ARG  16   9.656  -3.924   2.989
  134   1HB   ARG  16          2HB       ARG  16  11.679  -3.317   2.175
  135   2HB   ARG  16          1HB       ARG  16  11.028  -1.986   1.251
  136   1HG   ARG  16          2HG       ARG  16  11.220  -0.504   3.043
  137   2HG   ARG  16          1HG       ARG  16  11.162  -1.793   4.243
  138   1HD   ARG  16          2HD       ARG  16  13.462  -0.571   3.548
  139   2HD   ARG  16          1HD       ARG  16  13.402  -2.253   4.067
  140    HE   ARG  16           HE       ARG  16  13.051  -2.432   1.357
  141   1HH1  ARG  16          1HH2      ARG  16  15.297  -0.866   3.480
  142   2HH1  ARG  16          2HH2      ARG  16  16.617  -0.982   2.367
  143   1HH2  ARG  16          1HH1      ARG  16  14.769  -2.584  -0.087
  144   2HH2  ARG  16          2HH1      ARG  16  16.320  -1.952   0.354
  145    H    GLN  17           H        GLN  17   9.268  -3.109   5.003
  146    HA   GLN  17           HA       GLN  17   8.068  -0.441   5.071
  147   1HB   GLN  17          2HB       GLN  17   6.246  -1.411   6.564
  148   2HB   GLN  17          1HB       GLN  17   6.138  -1.843   4.866
  149   1HG   GLN  17          2HG       GLN  17   7.054  -4.006   5.232
  150   2HG   GLN  17          1HG       GLN  17   7.511  -3.605   6.878
  151   1HE2  GLN  17          1HE2      GLN  17   4.995  -2.242   7.584
  152   2HE2  GLN  17          2HE2      GLN  17   3.795  -3.437   7.660
  153    H    LYS  18           H        LYS  18   8.751   0.635   6.822
  154    HA   LYS  18           HA       LYS  18  11.011   0.215   8.096
  155   1HB   LYS  18          2HB       LYS  18   8.646   1.721   8.778
  156   2HB   LYS  18          1HB       LYS  18   9.449   1.146  10.240
  157   1HG   LYS  18          2HG       LYS  18  11.611   1.953   8.838
  158   2HG   LYS  18          1HG       LYS  18  10.410   3.067   8.186
  159   1HD   LYS  18          2HD       LYS  18  10.717   4.321  10.030
  160   2HD   LYS  18          1HD       LYS  18   9.921   3.037  10.941
  161   1HE   LYS  18          2HE       LYS  18  12.895   3.237  10.381
  162   2HE   LYS  18          1HE       LYS  18  12.111   3.538  11.932
  163   1HZ   LYS  18          1HZ       LYS  18  11.332   1.066  10.979
  164   2HZ   LYS  18          2HZ       LYS  18  12.170   1.392  12.302
  165   3HZ   LYS  18          3HZ       LYS  18  12.930   1.126  10.920
  166    H    LYS  19           H        LYS  19   8.171  -1.719   8.845
  167    HA   LYS  19           HA       LYS  19   9.378  -2.738  11.270
  168   1HB   LYS  19          2HB       LYS  19   7.452  -4.217  11.371
  169   2HB   LYS  19          1HB       LYS  19   6.881  -2.613  10.935
  170   1HG   LYS  19          2HG       LYS  19   6.835  -3.331   8.518
  171   2HG   LYS  19          1HG       LYS  19   7.295  -4.958   9.018
  172   1HD   LYS  19          2HD       LYS  19   4.759  -3.469   9.706
  173   2HD   LYS  19          1HD       LYS  19   4.926  -4.955   8.762
  174   1HE   LYS  19          2HE       LYS  19   5.633  -4.654  11.702
  175   2HE   LYS  19          1HE       LYS  19   4.177  -5.430  11.079
  176   1HZ   LYS  19          1HZ       LYS  19   6.928  -6.316  10.805
  177   2HZ   LYS  19          2HZ       LYS  19   5.790  -6.856   9.818
  178   3HZ   LYS  19          3HZ       LYS  19   5.679  -7.130  11.390
  179    H    GLN  20           H        GLN  20   8.618  -4.040   8.098
  180    HA   GLN  20           HA       GLN  20  10.913  -5.839   8.172
  181   1HB   GLN  20          2HB       GLN  20   9.363  -7.246   9.211
  182   2HB   GLN  20          1HB       GLN  20   8.012  -6.593   8.297
  183   1HG   GLN  20          2HG       GLN  20   8.381  -8.738   7.378
  184   2HG   GLN  20          1HG       GLN  20   9.126  -7.659   6.226
  185   1HE2  GLN  20          1HE2      GLN  20  10.072 -10.244   6.199
  186   2HE2  GLN  20          2HE2      GLN  20  11.602 -10.341   6.928
  187    H    ASP  21           H        ASP  21  11.038  -7.051   6.009
  188    HA   ASP  21           HA       ASP  21  10.022  -5.266   3.904
  189   1HB   ASP  21          2HB       ASP  21  12.143  -7.379   3.485
  190   2HB   ASP  21          1HB       ASP  21  11.826  -5.945   2.494
  191    H    GLY  22           H        GLY  22   8.588  -6.234   2.503
  192   1HA   GLY  22          2HA       GLY  22   8.172  -9.067   2.513
  193   2HA   GLY  22          1HA       GLY  22   6.954  -8.192   3.409
  194    H    ALA  23           H        ALA  23   6.269  -9.619   1.107
  195    HA   ALA  23           HA       ALA  23   6.069  -7.712  -1.029
  196   1HB   ALA  23          1HB       ALA  23   4.582  -9.578  -1.993
  197   2HB   ALA  23          2HB       ALA  23   5.057 -10.521  -0.582
  198   3HB   ALA  23          3HB       ALA  23   6.277  -9.982  -1.732
  199    H    LEU  24           H        LEU  24   4.498  -6.458  -1.382
  200    HA   LEU  24           HA       LEU  24   2.208  -6.407   0.494
  201   1HB   LEU  24          2HB       LEU  24   3.963  -4.481  -0.616
  202   2HB   LEU  24          1HB       LEU  24   2.358  -4.091  -1.195
  203    HG   LEU  24           HG       LEU  24   3.404  -4.234   1.604
  204   1HD1  LEU  24          1HD1      LEU  24   3.472  -2.028   0.939
  205   2HD1  LEU  24          2HD1      LEU  24   1.776  -2.077   1.423
  206   3HD1  LEU  24          3HD1      LEU  24   2.214  -2.253  -0.273
  207   1HD2  LEU  24          1HD2      LEU  24   0.892  -3.817   2.186
  208   2HD2  LEU  24          2HD2      LEU  24   1.434  -5.475   1.924
  209   3HD2  LEU  24          3HD2      LEU  24   0.575  -4.616   0.646
  210    H    TYR  25           H        TYR  25   0.107  -6.422  -0.216
  211    HA   TYR  25           HA       TYR  25  -0.341  -6.823  -3.118
  212   1HB   TYR  25          2HB       TYR  25  -1.473  -8.094  -0.649
  213   2HB   TYR  25          1HB       TYR  25  -2.543  -7.876  -2.031
  214    HD1  TYR  25           HD1      TYR  25   0.425  -9.607  -0.741
  215    HD2  TYR  25           HD2      TYR  25  -2.129  -9.033  -4.143
  216    HE1  TYR  25           HE1      TYR  25   1.400 -11.622  -1.805
  217    HE2  TYR  25           HE2      TYR  25  -1.158 -11.054  -5.210
  218    HH   TYR  25           HH       TYR  25   0.393 -12.642  -5.069
  219    H    LEU  26           H        LEU  26  -1.890  -5.358  -4.050
  220    HA   LEU  26           HA       LEU  26  -3.186  -3.582  -2.091
  221   1HB   LEU  26          2HB       LEU  26  -1.605  -2.431  -3.614
  222   2HB   LEU  26          1HB       LEU  26  -2.463  -3.100  -5.002
  223    HG   LEU  26           HG       LEU  26  -4.356  -1.841  -3.237
  224   1HD1  LEU  26          1HD1      LEU  26  -3.482   0.521  -3.636
  225   2HD1  LEU  26          2HD1      LEU  26  -1.926  -0.215  -4.021
  226   3HD1  LEU  26          3HD1      LEU  26  -2.620  -0.411  -2.411
  227   1HD2  LEU  26          1HD2      LEU  26  -5.213  -1.230  -5.247
  228   2HD2  LEU  26          2HD2      LEU  26  -3.938  -2.229  -5.946
  229   3HD2  LEU  26          3HD2      LEU  26  -3.695  -0.492  -5.760
  230    H    MET  27           H        MET  27  -5.423  -3.459  -2.225
  231    HA   MET  27           HA       MET  27  -6.734  -4.864  -4.448
  232   1HB   MET  27          2HB       MET  27  -6.609  -6.364  -2.426
  233   2HB   MET  27          1HB       MET  27  -7.483  -5.136  -1.517
  234   1HG   MET  27          2HG       MET  27  -9.462  -5.681  -2.455
  235   2HG   MET  27          1HG       MET  27  -8.766  -5.840  -4.062
  236   1HE   MET  27          1HE       MET  27  -7.153  -8.496  -1.103
  237   2HE   MET  27          2HE       MET  27  -8.824  -8.542  -0.548
  238   3HE   MET  27          3HE       MET  27  -8.010  -6.991  -0.744
  239    H    ALA  28           H        ALA  28  -8.556  -3.719  -5.121
  240    HA   ALA  28           HA       ALA  28  -8.856  -1.063  -4.826
  241   1HB   ALA  28          1HB       ALA  28 -11.466  -1.669  -4.928
  242   2HB   ALA  28          2HB       ALA  28 -10.818  -3.277  -5.265
  243   3HB   ALA  28          3HB       ALA  28 -10.401  -1.916  -6.312
  244    H    GLU  29           H        GLU  29 -10.663  -3.347  -2.786
  245    HA   GLU  29           HA       GLU  29 -11.362  -1.180  -1.026
  246   1HB   GLU  29          2HB       GLU  29 -12.846  -3.144  -1.636
  247   2HB   GLU  29          1HB       GLU  29 -11.847  -4.097  -0.537
  248   1HG   GLU  29          2HG       GLU  29 -13.234  -3.392   1.099
  249   2HG   GLU  29          1HG       GLU  29 -12.408  -1.840   0.958
  250    H    ARG  30           H        ARG  30  -8.642  -3.434  -0.932
  251    HA   ARG  30           HA       ARG  30  -8.043  -2.266   1.656
  252   1HB   ARG  30          2HB       ARG  30  -7.981  -4.325   2.878
  253   2HB   ARG  30          1HB       ARG  30  -9.560  -4.240   2.113
  254   1HG   ARG  30          2HG       ARG  30  -7.663  -5.468   0.341
  255   2HG   ARG  30          1HG       ARG  30  -7.623  -6.267   1.913
  256   1HD   ARG  30          2HD       ARG  30  -9.366  -7.406   0.823
  257   2HD   ARG  30          1HD       ARG  30 -10.228  -6.179   1.742
  258    HE   ARG  30           HE       ARG  30  -9.647  -5.016  -0.715
  259   1HH1  ARG  30          1HH2      ARG  30 -11.241  -7.847   0.481
  260   2HH1  ARG  30          2HH2      ARG  30 -12.402  -7.895  -0.802
  261   1HH2  ARG  30          1HH1      ARG  30 -11.188  -5.071  -2.390
  262   2HH2  ARG  30          2HH1      ARG  30 -12.368  -6.336  -2.422
  263    H    ILE  31           H        ILE  31  -5.993  -2.951   2.481
  264    HA   ILE  31           HA       ILE  31  -4.119  -3.718   0.304
  265    HB   ILE  31           HB       ILE  31  -3.954  -1.776   2.560
  266   1HG1  ILE  31          2HG1      ILE  31  -4.170  -1.297   0.051
  267   2HG1  ILE  31          1HG1      ILE  31  -2.893  -0.433   0.906
  268   1HG2  ILE  31          1HG2      ILE  31  -2.189  -3.348   3.209
  269   2HG2  ILE  31          2HG2      ILE  31  -1.469  -1.876   2.556
  270   3HG2  ILE  31          3HG2      ILE  31  -1.547  -3.334   1.567
  271   1HD1  ILE  31          1HD1      ILE  31  -2.560  -1.973  -1.384
  272   2HD1  ILE  31          2HD1      ILE  31  -2.001  -3.034  -0.091
  273   3HD1  ILE  31          3HD1      ILE  31  -1.271  -1.442  -0.303
  274    H    ALA  32           H        ALA  32  -3.180  -5.688   0.509
  275    HA   ALA  32           HA       ALA  32  -3.239  -6.965   3.176
  276   1HB   ALA  32          1HB       ALA  32  -4.203  -7.889   0.744
  277   2HB   ALA  32          2HB       ALA  32  -3.860  -8.885   2.159
  278   3HB   ALA  32          3HB       ALA  32  -2.640  -8.692   0.900
  279    H    TRP  33           H        TRP  33  -1.387  -8.159   3.841
  280    HA   TRP  33           HA       TRP  33   1.040  -7.436   2.316
  281   1HB   TRP  33          2HB       TRP  33   0.790  -5.933   4.273
  282   2HB   TRP  33          1HB       TRP  33   0.823  -7.348   5.319
  283    HD1  TRP  33           HD1      TRP  33   2.966  -6.479   2.241
  284    HE1  TRP  33           HE1      TRP  33   5.429  -6.614   2.970
  285    HE3  TRP  33           HE3      TRP  33   2.489  -7.732   7.175
  286    HZ2  TRP  33           HZ2      TRP  33   7.000  -7.199   5.154
  287    HZ3  TRP  33           HZ3      TRP  33   4.514  -8.114   8.539
  288    HH2  TRP  33           HH2      TRP  33   6.769  -7.859   7.537
  289    H    ALA  34           H        ALA  34   2.583  -8.928   2.236
  290    HA   ALA  34           HA       ALA  34   2.486 -11.279   3.944
  291   1HB   ALA  34          1HB       ALA  34   1.041 -12.074   2.286
  292   2HB   ALA  34          2HB       ALA  34   2.619 -12.716   1.823
  293   3HB   ALA  34          3HB       ALA  34   1.959 -11.307   0.989
  294    HA   PRO  35           HA       PRO  35   6.731 -10.444   2.994
  295   1HB   PRO  35          2HB       PRO  35   7.556 -11.913   5.323
  296   2HB   PRO  35          1HB       PRO  35   7.538 -10.159   5.095
  297   1HG   PRO  35          2HG       PRO  35   5.768 -11.744   6.726
  298   2HG   PRO  35          1HG       PRO  35   5.763  -9.989   6.503
  299   1HD   PRO  35          2HD       PRO  35   3.876 -11.895   5.470
  300   2HD   PRO  35          1HD       PRO  35   3.892 -10.139   5.227
  301    H    GLU  36           H        GLU  36   8.779 -12.116   3.246
  302    HA   GLU  36           HA       GLU  36   7.992 -14.390   1.623
  303   1HB   GLU  36          2HB       GLU  36  10.571 -13.132   2.481
  304   2HB   GLU  36          1HB       GLU  36  10.589 -14.807   1.926
  305   1HG   GLU  36          2HG       GLU  36  10.521 -14.087  -0.202
  306   2HG   GLU  36          1HG       GLU  36   8.956 -13.338   0.117
  307    H    GLY  37           H        GLY  37   6.676 -15.049   3.724
  308   1HA   GLY  37          2HA       GLY  37   8.455 -16.717   5.404
  309   2HA   GLY  37          1HA       GLY  37   6.912 -16.058   5.949
  310    H    LYS  38           H        LYS  38   5.316 -17.553   5.982
  311    HA   LYS  38           HA       LYS  38   5.314 -19.586   3.834
  312   1HB   LYS  38          2HB       LYS  38   4.886 -19.960   6.804
  313   2HB   LYS  38          1HB       LYS  38   4.356 -21.147   5.610
  314   1HG   LYS  38          2HG       LYS  38   6.489 -21.815   5.128
  315   2HG   LYS  38          1HG       LYS  38   7.152 -20.192   5.330
  316   1HD   LYS  38          2HD       LYS  38   7.843 -20.728   7.401
  317   2HD   LYS  38          1HD       LYS  38   6.178 -21.070   7.870
  318   1HE   LYS  38          2HE       LYS  38   6.707 -23.313   6.464
  319   2HE   LYS  38          1HE       LYS  38   8.333 -22.941   7.037
  320   1HZ   LYS  38          1HZ       LYS  38   6.826 -22.578   9.193
  321   2HZ   LYS  38          2HZ       LYS  38   7.636 -23.921   8.876
  322   3HZ   LYS  38          3HZ       LYS  38   6.082 -23.819   8.508
  323    H    ASP  39           H        ASP  39   3.332 -18.111   6.433
  324    HA   ASP  39           HA       ASP  39   0.856 -18.851   5.288
  325   1HB   ASP  39          2HB       ASP  39  -0.018 -16.930   6.713
  326   2HB   ASP  39          1HB       ASP  39   0.888 -18.169   7.582
  327    H    ARG  40           H        ARG  40   1.441 -18.332   3.022
  328    HA   ARG  40           HA       ARG  40   2.104 -16.352   1.586
  329   1HB   ARG  40          2HB       ARG  40  -0.752 -16.683   0.983
  330   2HB   ARG  40          1HB       ARG  40   0.653 -16.923  -0.044
  331   1HG   ARG  40          2HG       ARG  40   1.119 -19.041   1.337
  332   2HG   ARG  40          1HG       ARG  40  -0.521 -18.851   1.958
  333   1HD   ARG  40          2HD       ARG  40  -1.421 -19.633   0.049
  334   2HD   ARG  40          1HD       ARG  40  -0.437 -18.558  -0.940
  335    HE   ARG  40           HE       ARG  40  -0.039 -21.312  -0.638
  336   1HH1  ARG  40          1HH2      ARG  40   1.775 -18.366  -0.414
  337   2HH1  ARG  40          2HH2      ARG  40   3.303 -19.163  -0.548
  338   1HH2  ARG  40          1HH1      ARG  40   1.947 -22.333  -0.835
  339   2HH2  ARG  40          2HH1      ARG  40   3.402 -21.395  -0.796
  340    H    PHE  41           H        PHE  41  -0.855 -15.938   3.410
  341    HA   PHE  41           HA       PHE  41  -0.634 -13.061   2.810
  342   1HB   PHE  41          2HB       PHE  41  -2.944 -14.849   3.444
  343   2HB   PHE  41          1HB       PHE  41  -3.054 -13.125   3.831
  344    HD1  PHE  41           HD1      PHE  41  -3.599 -15.490   1.303
  345    HD2  PHE  41           HD2      PHE  41  -2.035 -11.533   1.938
  346    HE1  PHE  41           HE1      PHE  41  -3.914 -14.986  -1.102
  347    HE2  PHE  41           HE2      PHE  41  -2.353 -11.029  -0.478
  348    HZ   PHE  41           HZ       PHE  41  -3.285 -12.766  -1.989
  349    H    THR  42           H        THR  42  -0.674 -11.529   4.456
  350    HA   THR  42           HA       THR  42  -0.289 -12.638   7.160
  351    HB   THR  42           HB       THR  42   1.618 -11.371   5.616
  352    HG1  THR  42           HG1      THR  42   2.773 -11.646   7.385
  353   1HG2  THR  42          1HG2      THR  42   0.152  -9.204   6.251
  354   2HG2  THR  42          2HG2      THR  42   1.896  -9.162   6.109
  355   3HG2  THR  42          3HG2      THR  42   1.141  -9.302   7.699
  356    H    ILE  43           H        ILE  43  -1.340  -9.795   5.330
  357    HA   ILE  43           HA       ILE  43  -3.501  -9.451   7.313
  358    HB   ILE  43           HB       ILE  43  -2.939  -7.013   7.572
  359   1HG1  ILE  43          2HG1      ILE  43  -0.170  -7.131   7.083
  360   2HG1  ILE  43          1HG1      ILE  43  -0.936  -7.813   5.647
  361   1HG2  ILE  43          1HG2      ILE  43  -0.597  -8.618   8.532
  362   2HG2  ILE  43          2HG2      ILE  43  -2.210  -9.066   9.086
  363   3HG2  ILE  43          3HG2      ILE  43  -1.584  -7.449   9.408
  364   1HD1  ILE  43          1HD1      ILE  43  -0.951  -5.048   6.638
  365   2HD1  ILE  43          2HD1      ILE  43  -2.545  -5.650   6.179
  366   3HD1  ILE  43          3HD1      ILE  43  -1.226  -5.662   5.008
  367    H    SER  44           H        SER  44  -4.834  -7.356   6.680
  368    HA   SER  44           HA       SER  44  -4.874  -6.567   3.963
  369   1HB   SER  44          2HB       SER  44  -7.383  -7.761   4.052
  370   2HB   SER  44          1HB       SER  44  -6.012  -8.325   3.101
  371    HG   SER  44           HG       SER  44  -7.184  -9.441   5.256
  372    H    HIS  45           H        HIS  45  -5.476  -4.448   4.444
  373    HA   HIS  45           HA       HIS  45  -7.522  -4.097   6.562
  374   1HB   HIS  45          2HB       HIS  45  -6.250  -1.685   5.603
  375   2HB   HIS  45          1HB       HIS  45  -6.401  -2.268   7.258
  376    HD1  HIS  45           HD1      HIS  45  -4.287  -3.177   8.302
  377    HD2  HIS  45           HD2      HIS  45  -4.016  -2.876   4.163
  378    HE1  HIS  45           HE1      HIS  45  -1.879  -3.697   7.709
  379    H    MET  46           H        MET  46  -9.445  -3.327   5.998
  380    HA   MET  46           HA       MET  46 -10.038  -2.833   3.225
  381   1HB   MET  46          2HB       MET  46 -11.528  -3.301   5.662
  382   2HB   MET  46          1HB       MET  46 -12.202  -1.927   4.785
  383   1HG   MET  46          2HG       MET  46 -13.126  -3.311   3.274
  384   2HG   MET  46          1HG       MET  46 -11.542  -3.993   2.903
  385   1HE   MET  46          1HE       MET  46 -12.186  -5.930   2.280
  386   2HE   MET  46          2HE       MET  46 -12.894  -7.272   3.176
  387   3HE   MET  46          3HE       MET  46 -11.210  -6.831   3.448
  388    H    TYR  47           H        TYR  47  -9.301  -1.015   2.363
  389    HA   TYR  47           HA       TYR  47  -8.393   1.287   3.279
  390   1HB   TYR  47          2HB       TYR  47 -10.118   0.703   0.905
  391   2HB   TYR  47          1HB       TYR  47  -9.734   2.390   1.276
  392    HD1  TYR  47           HD1      TYR  47  -7.469  -0.256   2.364
  393    HD2  TYR  47           HD2      TYR  47  -8.256   2.498  -0.827
  394    HE1  TYR  47           HE1      TYR  47  -5.153  -0.534   1.535
  395    HE2  TYR  47           HE2      TYR  47  -5.966   2.243  -1.621
  396    HH   TYR  47           HH       TYR  47  -3.525   1.128   0.045
  397    H    ALA  48           H        ALA  48 -11.910   0.589   3.424
  398    HA   ALA  48           HA       ALA  48 -12.598   3.254   4.248
  399   1HB   ALA  48          1HB       ALA  48 -13.956   0.566   4.534
  400   2HB   ALA  48          2HB       ALA  48 -14.405   1.906   3.477
  401   3HB   ALA  48          3HB       ALA  48 -14.647   2.037   5.220
  402    H    ASP  49           H        ASP  49 -11.910   0.250   5.915
  403    HA   ASP  49           HA       ASP  49 -12.074   1.255   8.581
  404   1HB   ASP  49          2HB       ASP  49 -10.470  -1.087   7.512
  405   2HB   ASP  49          1HB       ASP  49 -10.893  -0.804   9.201
  406    H    ILE  50           H        ILE  50  -9.947   1.988   6.129
  407    HA   ILE  50           HA       ILE  50  -7.864   2.762   8.090
  408    HB   ILE  50           HB       ILE  50  -6.824   2.727   5.412
  409   1HG1  ILE  50          2HG1      ILE  50  -7.735   0.006   6.370
  410   2HG1  ILE  50          1HG1      ILE  50  -8.622   0.937   5.161
  411   1HG2  ILE  50          1HG2      ILE  50  -6.221   1.534   8.073
  412   2HG2  ILE  50          2HG2      ILE  50  -5.238   2.598   7.077
  413   3HG2  ILE  50          3HG2      ILE  50  -5.382   0.888   6.668
  414   1HD1  ILE  50          1HD1      ILE  50  -7.032  -0.649   4.107
  415   2HD1  ILE  50          2HD1      ILE  50  -5.704   0.146   4.950
  416   3HD1  ILE  50          3HD1      ILE  50  -6.627   1.026   3.734
  417    H    LYS  51           H        LYS  51  -8.030   5.115   8.268
  418    HA   LYS  51           HA       LYS  51  -8.247   6.381   5.626
  419   1HB   LYS  51          2HB       LYS  51 -10.519   6.176   6.969
  420   2HB   LYS  51          1HB       LYS  51  -9.885   7.627   7.751
  421   1HG   LYS  51          2HG       LYS  51  -9.892   7.290   4.753
  422   2HG   LYS  51          1HG       LYS  51 -11.230   8.051   5.621
  423   1HD   LYS  51          2HD       LYS  51  -8.324   8.946   5.620
  424   2HD   LYS  51          1HD       LYS  51  -9.673   9.774   4.845
  425   1HE   LYS  51          2HE       LYS  51 -10.594   9.494   7.423
  426   2HE   LYS  51          1HE       LYS  51  -8.871   9.771   7.672
  427   1HZ   LYS  51          1HZ       LYS  51 -10.605  11.697   7.262
  428   2HZ   LYS  51          2HZ       LYS  51 -10.118  11.466   5.755
  429   3HZ   LYS  51          3HZ       LYS  51  -9.053  11.829   6.893
  430    H    CYS  52           H        CYS  52  -6.423   7.339   5.582
  431    HA   CYS  52           HA       CYS  52  -6.022   9.826   6.591
  432   1HB   CYS  52          2HB       CYS  52  -5.676   8.290   8.744
  433   2HB   CYS  52          1HB       CYS  52  -4.056   8.166   8.070
  434    HG   CYS  52           HG       CYS  52  -5.309  10.707   9.255
  435    H    GLN  53           H        GLN  53  -4.340  10.689   5.352
  436    HA   GLN  53           HA       GLN  53  -2.465   8.711   4.211
  437   1HB   GLN  53          2HB       GLN  53  -3.794  10.744   2.438
  438   2HB   GLN  53          1HB       GLN  53  -2.973   9.249   1.987
  439   1HG   GLN  53          2HG       GLN  53  -5.224   8.648   1.771
  440   2HG   GLN  53          1HG       GLN  53  -4.852   8.099   3.406
  441   1HE2  GLN  53          1HE2      GLN  53  -7.425   8.467   3.357
  442   2HE2  GLN  53          2HE2      GLN  53  -7.932   9.991   3.907
  443    H    LYS  54           H        LYS  54  -0.529   9.392   4.443
  444    HA   LYS  54           HA       LYS  54   0.068  12.284   4.364
  445   1HB   LYS  54          2HB       LYS  54   0.550  11.879   6.577
  446   2HB   LYS  54          1HB       LYS  54   0.686  10.138   6.326
  447   1HG   LYS  54          2HG       LYS  54   2.866  11.002   6.945
  448   2HG   LYS  54          1HG       LYS  54   2.918  10.530   5.247
  449   1HD   LYS  54          2HD       LYS  54   3.624  12.615   4.761
  450   2HD   LYS  54          1HD       LYS  54   2.038  13.207   5.256
  451   1HE   LYS  54          2HE       LYS  54   3.237  14.382   6.800
  452   2HE   LYS  54          1HE       LYS  54   3.219  12.857   7.685
  453   1HZ   LYS  54          1HZ       LYS  54   5.275  12.898   5.802
  454   2HZ   LYS  54          2HZ       LYS  54   5.374  12.690   7.385
  455   3HZ   LYS  54          3HZ       LYS  54   5.409  14.166   6.769
  456    H    ILE  55           H        ILE  55   1.950  12.797   3.141
  457    HA   ILE  55           HA       ILE  55   3.074  10.487   1.666
  458    HB   ILE  55           HB       ILE  55   3.903  12.611   0.217
  459   1HG1  ILE  55          2HG1      ILE  55   1.943  14.190   0.065
  460   2HG1  ILE  55          1HG1      ILE  55   1.295  13.445   1.526
  461   1HG2  ILE  55          1HG2      ILE  55   2.288  11.968  -1.360
  462   2HG2  ILE  55          2HG2      ILE  55   1.071  11.649  -0.125
  463   3HG2  ILE  55          3HG2      ILE  55   2.424  10.538  -0.338
  464   1HD1  ILE  55          1HD1      ILE  55   3.201  14.136   2.820
  465   2HD1  ILE  55          2HD1      ILE  55   2.653  15.550   1.920
  466   3HD1  ILE  55          3HD1      ILE  55   4.068  14.650   1.373
  467    H    SER  56           H        SER  56   4.815   9.915   2.858
  468    HA   SER  56           HA       SER  56   6.581  12.014   3.882
  469   1HB   SER  56          2HB       SER  56   6.310   9.071   4.459
  470   2HB   SER  56          1HB       SER  56   7.671  10.024   5.045
  471    HG   SER  56           HG       SER  56   4.943  10.172   5.691
  472    HA   PRO  57           HA       PRO  57   9.345   9.689   1.068
  473   1HB   PRO  57          2HB       PRO  57   8.203   8.849  -1.391
  474   2HB   PRO  57          1HB       PRO  57   8.719   7.855  -0.026
  475   1HG   PRO  57          2HG       PRO  57   6.042   8.424  -0.895
  476   2HG   PRO  57          1HG       PRO  57   6.553   7.306   0.346
  477   1HD   PRO  57          2HD       PRO  57   5.343   9.903   0.696
  478   2HD   PRO  57          1HD       PRO  57   5.838   8.759   1.949
  479    H    GLU  58           H        GLU  58   8.617  12.338   1.164
  480    HA   GLU  58           HA       GLU  58   8.745  13.323  -1.604
  481   1HB   GLU  58          2HB       GLU  58   7.366  14.247   0.588
  482   2HB   GLU  58          1HB       GLU  58   8.807  15.263   0.617
  483   1HG   GLU  58          2HG       GLU  58   7.462  14.846  -2.016
  484   2HG   GLU  58          1HG       GLU  58   6.675  15.915  -0.854
  485    H    GLY  59           H        GLY  59  10.580  13.069   1.390
  486   1HA   GLY  59          2HA       GLY  59  12.956  13.991  -0.100
  487   2HA   GLY  59          1HA       GLY  59  12.636  14.575   1.537
  488    H    LYS  60           H        LYS  60  11.999  11.328   0.328
  489    HA   LYS  60           HA       LYS  60  13.668  10.244   2.485
  490   1HB   LYS  60          2HB       LYS  60  11.654   8.992   0.572
  491   2HB   LYS  60          1HB       LYS  60  12.509   8.081   1.815
  492   1HG   LYS  60          2HG       LYS  60  10.762  10.497   2.362
  493   2HG   LYS  60          1HG       LYS  60  10.249   8.821   2.558
  494   1HD   LYS  60          2HD       LYS  60  12.088   8.462   4.183
  495   2HD   LYS  60          1HD       LYS  60  12.549  10.156   4.016
  496   1HE   LYS  60          2HE       LYS  60   9.692   9.746   4.600
  497   2HE   LYS  60          1HE       LYS  60  10.773   9.203   5.883
  498   1HZ   LYS  60          1HZ       LYS  60  10.262  11.844   4.968
  499   2HZ   LYS  60          2HZ       LYS  60  11.813  11.533   5.214
  500   3HZ   LYS  60          3HZ       LYS  60  10.761  11.345   6.406
  501    H    ALA  61           H        ALA  61  13.782   7.783   0.558
  502    HA   ALA  61           HA       ALA  61  15.862   8.760  -1.256
  503   1HB   ALA  61          1HB       ALA  61  16.523   7.420   1.040
  504   2HB   ALA  61          2HB       ALA  61  17.474   7.353  -0.444
  505   3HB   ALA  61          3HB       ALA  61  16.307   6.080  -0.086
  506    H    LYS  62           H        LYS  62  12.992   7.248  -0.765
  507    HA   LYS  62           HA       LYS  62  12.954   6.131  -3.390
  508   1HB   LYS  62          2HB       LYS  62  12.059   3.903  -2.075
  509   2HB   LYS  62          1HB       LYS  62  13.651   4.116  -2.751
  510   1HG   LYS  62          2HG       LYS  62  13.766   3.364  -0.385
  511   2HG   LYS  62          1HG       LYS  62  14.544   4.920  -0.640
  512   1HD   LYS  62          2HD       LYS  62  12.892   6.090   0.501
  513   2HD   LYS  62          1HD       LYS  62  11.658   4.877   0.176
  514   1HE   LYS  62          2HE       LYS  62  13.145   3.332   1.672
  515   2HE   LYS  62          1HE       LYS  62  13.859   4.843   2.230
  516   1HZ   LYS  62          1HZ       LYS  62  11.125   5.120   2.237
  517   2HZ   LYS  62          2HZ       LYS  62  12.109   5.105   3.498
  518   3HZ   LYS  62          3HZ       LYS  62  11.451   3.741   2.982
  519    H    ILE  63           H        ILE  63  10.669   4.689  -1.453
  520    HA   ILE  63           HA       ILE  63   8.841   6.912  -1.469
  521    HB   ILE  63           HB       ILE  63   7.319   6.232  -3.105
  522   1HG1  ILE  63          2HG1      ILE  63   7.243   3.775  -2.652
  523   2HG1  ILE  63          1HG1      ILE  63   7.532   4.094  -4.353
  524   1HG2  ILE  63          1HG2      ILE  63   9.333   7.193  -4.109
  525   2HG2  ILE  63          2HG2      ILE  63   8.694   5.926  -5.155
  526   3HG2  ILE  63          3HG2      ILE  63  10.096   5.599  -4.143
  527   1HD1  ILE  63          1HD1      ILE  63   9.277   2.843  -2.382
  528   2HD1  ILE  63          2HD1      ILE  63  10.075   4.110  -3.311
  529   3HD1  ILE  63          3HD1      ILE  63   9.329   2.754  -4.141
  530    H    GLN  64           H        GLN  64   8.603   6.354   0.901
  531    HA   GLN  64           HA       GLN  64   7.060   3.861   1.237
  532   1HB   GLN  64          2HB       GLN  64   7.748   3.864   3.534
  533   2HB   GLN  64          1HB       GLN  64   9.203   4.180   2.589
  534   1HG   GLN  64          2HG       GLN  64   9.008   6.574   3.011
  535   2HG   GLN  64          1HG       GLN  64   7.480   6.329   3.855
  536   1HE2  GLN  64          1HE2      GLN  64   9.904   3.875   4.361
  537   2HE2  GLN  64          2HE2      GLN  64  10.365   4.369   5.918
  538    H    LEU  65           H        LEU  65   4.904   4.122   1.824
  539    HA   LEU  65           HA       LEU  65   4.116   6.921   2.263
  540   1HB   LEU  65          2HB       LEU  65   1.871   6.215   1.440
  541   2HB   LEU  65          1HB       LEU  65   3.167   6.067   0.260
  542    HG   LEU  65           HG       LEU  65   1.491   4.125   0.414
  543   1HD1  LEU  65          1HD1      LEU  65   3.844   2.596   0.758
  544   2HD1  LEU  65          2HD1      LEU  65   4.341   4.139   0.050
  545   3HD1  LEU  65          3HD1      LEU  65   3.127   3.148  -0.759
  546   1HD2  LEU  65          1HD2      LEU  65   3.156   3.373   2.812
  547   2HD2  LEU  65          2HD2      LEU  65   1.788   2.488   2.149
  548   3HD2  LEU  65          3HD2      LEU  65   1.535   4.047   2.937
  549    H    GLN  66           H        GLN  66   1.975   7.167   3.478
  550    HA   GLN  66           HA       GLN  66   1.864   5.291   5.751
  551   1HB   GLN  66          2HB       GLN  66   2.482   8.197   5.754
  552   2HB   GLN  66          1HB       GLN  66   1.385   7.621   7.010
  553   1HG   GLN  66          2HG       GLN  66   3.064   6.616   8.131
  554   2HG   GLN  66          1HG       GLN  66   3.647   5.822   6.667
  555   1HE2  GLN  66          1HE2      GLN  66   3.670   9.071   8.238
  556   2HE2  GLN  66          2HE2      GLN  66   5.207   9.500   7.660
  557    H    LEU  67           H        LEU  67  -0.139   4.687   6.152
  558    HA   LEU  67           HA       LEU  67  -2.423   6.425   5.423
  559   1HB   LEU  67          2HB       LEU  67  -2.534   4.766   3.738
  560   2HB   LEU  67          1HB       LEU  67  -1.897   3.515   4.797
  561    HG   LEU  67           HG       LEU  67  -4.279   4.306   6.041
  562   1HD1  LEU  67          1HD1      LEU  67  -5.398   5.372   4.346
  563   2HD1  LEU  67          2HD1      LEU  67  -5.736   3.714   3.840
  564   3HD1  LEU  67          3HD1      LEU  67  -4.417   4.618   3.088
  565   1HD2  LEU  67          1HD2      LEU  67  -5.045   2.070   4.847
  566   2HD2  LEU  67          2HD2      LEU  67  -3.770   2.033   6.067
  567   3HD2  LEU  67          3HD2      LEU  67  -3.352   2.006   4.354
  568    H    VAL  68           H        VAL  68  -3.835   6.601   7.198
  569    HA   VAL  68           HA       VAL  68  -3.063   4.860   9.445
  570    HB   VAL  68           HB       VAL  68  -4.506   7.463   9.806
  571   1HG1  VAL  68          1HG1      VAL  68  -3.390   7.342  12.004
  572   2HG1  VAL  68          2HG1      VAL  68  -2.660   5.812  11.528
  573   3HG1  VAL  68          3HG1      VAL  68  -4.412   5.936  11.724
  574   1HG2  VAL  68          1HG2      VAL  68  -2.629   8.637   9.400
  575   2HG2  VAL  68          2HG2      VAL  68  -1.950   7.166   8.699
  576   3HG2  VAL  68          3HG2      VAL  68  -1.696   7.528  10.406
  577    H    LEU  69           H        LEU  69  -4.609   4.246  10.876
  578    HA   LEU  69           HA       LEU  69  -7.011   3.284   9.607
  579   1HB   LEU  69          2HB       LEU  69  -5.784   3.008  12.360
  580   2HB   LEU  69          1HB       LEU  69  -7.244   2.165  11.869
  581    HG   LEU  69           HG       LEU  69  -4.889   0.990  11.674
  582   1HD1  LEU  69          1HD1      LEU  69  -5.748  -0.033   9.428
  583   2HD1  LEU  69          2HD1      LEU  69  -7.181   0.941   9.802
  584   3HD1  LEU  69          3HD1      LEU  69  -6.630  -0.287  10.942
  585   1HD2  LEU  69          1HD2      LEU  69  -3.936   1.186   9.397
  586   2HD2  LEU  69          2HD2      LEU  69  -3.767   2.675  10.314
  587   3HD2  LEU  69          3HD2      LEU  69  -5.018   2.539   9.084
  588    H    HIS  70           H        HIS  70  -9.178   3.900  10.300
  589    HA   HIS  70           HA       HIS  70  -9.604   6.544  11.071
  590   1HB   HIS  70          2HB       HIS  70 -11.794   5.496  12.137
  591   2HB   HIS  70          1HB       HIS  70 -11.576   5.489  10.387
  592    HD1  HIS  70           HD1      HIS  70 -10.990   3.211  13.383
  593    HD2  HIS  70           HD2      HIS  70 -11.592   2.957   9.267
  594    HE1  HIS  70           HE1      HIS  70 -11.195   0.745  12.841
  595    H    ALA  71           H        ALA  71  -8.923   3.666  12.845
  596    HA   ALA  71           HA       ALA  71  -9.245   4.783  15.484
  597   1HB   ALA  71          1HB       ALA  71  -7.580   2.379  14.688
  598   2HB   ALA  71          2HB       ALA  71  -9.328   2.303  14.910
  599   3HB   ALA  71          3HB       ALA  71  -8.284   2.720  16.268
  600    H    GLY  72           H        GLY  72  -6.632   3.841  16.507
  601   1HA   GLY  72          2HA       GLY  72  -5.025   6.099  15.521
  602   2HA   GLY  72          1HA       GLY  72  -4.927   5.403  17.141
  603    H    ASP  73           H        ASP  73  -4.927   4.091  13.961
  604    HA   ASP  73           HA       ASP  73  -2.340   2.752  14.563
  605   1HB   ASP  73          2HB       ASP  73  -4.879   1.652  13.409
  606   2HB   ASP  73          1HB       ASP  73  -3.335   0.955  12.914
  607    H    THR  74           H        THR  74  -0.840   2.796  12.962
  608    HA   THR  74           HA       THR  74  -1.604   4.367  10.589
  609    HB   THR  74           HB       THR  74   1.253   3.990  11.025
  610    HG1  THR  74           HG1      THR  74   1.307   5.261  12.914
  611   1HG2  THR  74          1HG2      THR  74  -0.196   5.738   9.671
  612   2HG2  THR  74          2HG2      THR  74   1.328   6.227  10.412
  613   3HG2  THR  74          3HG2      THR  74  -0.201   6.603  11.207
  614    H    THR  75           H        THR  75  -0.532   3.718   8.554
  615    HA   THR  75           HA       THR  75   0.287   0.902   8.514
  616    HB   THR  75           HB       THR  75  -1.615   2.251   6.566
  617    HG1  THR  75           HG1      THR  75  -1.990   0.306   8.589
  618   1HG2  THR  75          1HG2      THR  75  -0.718  -0.637   6.737
  619   2HG2  THR  75          2HG2      THR  75  -0.041   0.542   5.613
  620   3HG2  THR  75          3HG2      THR  75  -1.740   0.084   5.493
  621    H    ASN  76           H        ASN  76   2.467   1.329   7.984
  622    HA   ASN  76           HA       ASN  76   2.906   3.367   5.890
  623   1HB   ASN  76          2HB       ASN  76   4.959   2.199   7.780
  624   2HB   ASN  76          1HB       ASN  76   5.113   3.643   6.779
  625   1HD2  ASN  76          1HD2      ASN  76   2.190   4.337   7.501
  626   2HD2  ASN  76          2HD2      ASN  76   2.304   5.004   9.058
  627    H    PHE  77           H        PHE  77   4.196   2.778   4.085
  628    HA   PHE  77           HA       PHE  77   5.228   0.078   4.041
  629   1HB   PHE  77          2HB       PHE  77   2.660   0.659   2.942
  630   2HB   PHE  77          1HB       PHE  77   3.779   0.261   1.637
  631    HD1  PHE  77           HD1      PHE  77   5.625  -1.519   2.564
  632    HD2  PHE  77           HD2      PHE  77   1.515  -1.276   3.710
  633    HE1  PHE  77           HE1      PHE  77   5.699  -3.877   3.247
  634    HE2  PHE  77           HE2      PHE  77   1.567  -3.655   4.382
  635    HZ   PHE  77           HZ       PHE  77   3.690  -4.948   4.136
  636    H    HIS  78           H        HIS  78   6.826  -0.193   2.685
  637    HA   HIS  78           HA       HIS  78   7.577   2.124   0.992
  638   1HB   HIS  78          2HB       HIS  78   8.898   2.262   2.978
  639   2HB   HIS  78          1HB       HIS  78   9.292   0.564   2.926
  640    HD1  HIS  78           HD1      HIS  78  10.983  -0.233   1.227
  641    HD2  HIS  78           HD2      HIS  78  10.335   3.864   1.100
  642    HE1  HIS  78           HE1      HIS  78  12.710   0.705  -0.317
  643    H    PHE  79           H        PHE  79   9.290   1.691  -0.592
  644    HA   PHE  79           HA       PHE  79   9.553  -1.074  -1.579
  645   1HB   PHE  79          2HB       PHE  79   8.739   1.222  -3.358
  646   2HB   PHE  79          1HB       PHE  79   8.780  -0.477  -3.767
  647    HD1  PHE  79           HD1      PHE  79   6.967   2.125  -1.801
  648    HD2  PHE  79           HD2      PHE  79   6.867  -1.864  -3.404
  649    HE1  PHE  79           HE1      PHE  79   4.513   1.997  -1.344
  650    HE2  PHE  79           HE2      PHE  79   4.454  -1.989  -2.914
  651    HZ   PHE  79           HZ       PHE  79   3.281  -0.081  -1.912
  652    H    SER  80           H        SER  80  11.947  -1.187  -2.280
  653    HA   SER  80           HA       SER  80  12.982   0.784  -3.898
  654   1HB   SER  80          2HB       SER  80  12.921   2.122  -1.696
  655   2HB   SER  80          1HB       SER  80  14.228   1.046  -1.199
  656    HG   SER  80           HG       SER  80  15.142   2.820  -2.179
  657    H    ASN  81           H        ASN  81  13.164  -1.746  -4.284
  658    HA   ASN  81           HA       ASN  81  15.202  -3.214  -2.986
  659   1HB   ASN  81          2HB       ASN  81  14.601  -3.571  -5.914
  660   2HB   ASN  81          1HB       ASN  81  14.932  -4.801  -4.690
  661   1HD2  ASN  81          1HD2      ASN  81  13.087  -3.363  -2.751
  662   2HD2  ASN  81          2HD2      ASN  81  11.526  -3.743  -3.267
  663    H    GLU  82           H        GLU  82  16.495  -3.624  -5.914
  664    HA   GLU  82           HA       GLU  82  18.893  -2.297  -5.424
  665   1HB   GLU  82          2HB       GLU  82  17.512  -3.336  -7.851
  666   2HB   GLU  82          1HB       GLU  82  18.774  -2.137  -8.137
  667   1HG   GLU  82          2HG       GLU  82  19.671  -4.457  -8.151
  668   2HG   GLU  82          1HG       GLU  82  20.378  -3.480  -6.864
  669    H    SER  83           H        SER  83  16.745  -1.129  -8.021
  670    HA   SER  83           HA       SER  83  16.652   1.481  -6.701
  671   1HB   SER  83          2HB       SER  83  17.307   1.123  -9.636
  672   2HB   SER  83          1HB       SER  83  17.258   2.630  -8.727
  673    HG   SER  83           HG       SER  83  19.063   1.991  -7.604
  674    H    THR  84           H        THR  84  14.632  -0.351  -6.619
  675    HA   THR  84           HA       THR  84  12.974  -0.034  -8.983
  676    HB   THR  84           HB       THR  84  11.408  -1.493  -7.776
  677    HG1  THR  84           HG1      THR  84  11.824  -0.615  -5.697
  678   1HG2  THR  84          1HG2      THR  84  12.911  -3.439  -7.504
  679   2HG2  THR  84          2HG2      THR  84  14.303  -2.356  -7.529
  680   3HG2  THR  84          3HG2      THR  84  13.292  -2.526  -8.964
  681    H    ALA  85           H        ALA  85  13.236   1.538  -5.838
  682    HA   ALA  85           HA       ALA  85  10.624   2.468  -5.637
  683   1HB   ALA  85          1HB       ALA  85  13.236   3.789  -4.812
  684   2HB   ALA  85          2HB       ALA  85  12.262   2.711  -3.817
  685   3HB   ALA  85          3HB       ALA  85  11.639   4.297  -4.269
  686    H    VAL  86           H        VAL  86  10.162   2.827  -7.800
  687    HA   VAL  86           HA       VAL  86  10.597   5.602  -8.597
  688    HB   VAL  86           HB       VAL  86  11.006   3.548 -10.744
  689   1HG1  VAL  86          1HG1      VAL  86  11.538   5.386 -11.939
  690   2HG1  VAL  86          2HG1      VAL  86  12.699   5.908 -10.719
  691   3HG1  VAL  86          3HG1      VAL  86  10.999   6.350 -10.564
  692   1HG2  VAL  86          1HG2      VAL  86  13.089   4.481  -8.747
  693   2HG2  VAL  86          2HG2      VAL  86  13.484   3.722 -10.289
  694   3HG2  VAL  86          3HG2      VAL  86  12.593   2.819  -9.063
  695    H    LYS  87           H        LYS  87   9.525   4.829 -11.338
  696    HA   LYS  87           HA       LYS  87   6.872   5.392 -10.974
  697   1HB   LYS  87          2HB       LYS  87   8.480   4.150 -13.094
  698   2HB   LYS  87          1HB       LYS  87   6.783   3.667 -13.117
  699   1HG   LYS  87          2HG       LYS  87   6.145   5.685 -13.887
  700   2HG   LYS  87          1HG       LYS  87   7.035   6.512 -12.608
  701   1HD   LYS  87          2HD       LYS  87   8.882   5.392 -14.528
  702   2HD   LYS  87          1HD       LYS  87   7.699   6.411 -15.350
  703   1HE   LYS  87          2HE       LYS  87   8.750   7.528 -12.825
  704   2HE   LYS  87          1HE       LYS  87   9.941   7.368 -14.115
  705   1HZ   LYS  87          1HZ       LYS  87   7.522   8.397 -15.068
  706   2HZ   LYS  87          2HZ       LYS  87   8.989   9.026 -15.173
  707   3HZ   LYS  87          3HZ       LYS  87   8.086   9.318 -13.886
  708    H    GLU  88           H        GLU  88   8.376   2.153 -10.869
  709    HA   GLU  88           HA       GLU  88   6.077   0.600 -10.755
  710   1HB   GLU  88          2HB       GLU  88   7.593  -0.710  -8.972
  711   2HB   GLU  88          1HB       GLU  88   7.948  -0.744 -10.688
  712   1HG   GLU  88          2HG       GLU  88   9.135   1.561  -9.330
  713   2HG   GLU  88          1HG       GLU  88   9.711   0.011  -8.720
  714    H    ARG  89           H        ARG  89   7.915   1.353  -7.852
  715    HA   ARG  89           HA       ARG  89   5.778   0.938  -6.070
  716   1HB   ARG  89          2HB       ARG  89   8.051   2.816  -5.483
  717   2HB   ARG  89          1HB       ARG  89   7.286   1.641  -4.414
  718   1HG   ARG  89          2HG       ARG  89   9.200   1.100  -6.701
  719   2HG   ARG  89          1HG       ARG  89   9.442   0.737  -5.004
  720   1HD   ARG  89          2HD       ARG  89   7.542  -0.865  -5.088
  721   2HD   ARG  89          1HD       ARG  89   7.358  -0.527  -6.808
  722    HE   ARG  89           HE       ARG  89   9.973  -1.264  -6.583
  723   1HH1  ARG  89          1HH2      ARG  89   6.930  -2.563  -5.584
  724   2HH1  ARG  89          2HH2      ARG  89   7.441  -4.210  -5.729
  725   1HH2  ARG  89          1HH1      ARG  89  10.647  -3.412  -6.776
  726   2HH2  ARG  89          2HH1      ARG  89   9.540  -4.691  -6.403
  727    H    ASP  90           H        ASP  90   7.345   3.901  -7.139
  728    HA   ASP  90           HA       ASP  90   5.863   5.904  -6.084
  729   1HB   ASP  90          2HB       ASP  90   7.605   6.323  -7.772
  730   2HB   ASP  90          1HB       ASP  90   6.559   5.662  -9.029
  731    H    ALA  91           H        ALA  91   4.857   3.958  -8.908
  732    HA   ALA  91           HA       ALA  91   2.307   5.138  -9.172
  733   1HB   ALA  91          1HB       ALA  91   3.436   2.435  -9.919
  734   2HB   ALA  91          2HB       ALA  91   3.075   3.795 -10.982
  735   3HB   ALA  91          3HB       ALA  91   1.761   2.871 -10.254
  736    H    VAL  92           H        VAL  92   3.308   2.090  -7.565
  737    HA   VAL  92           HA       VAL  92   0.987   1.172  -6.493
  738    HB   VAL  92           HB       VAL  92   3.629   1.539  -5.051
  739   1HG1  VAL  92          1HG1      VAL  92   0.989   0.628  -4.074
  740   2HG1  VAL  92          2HG1      VAL  92   2.369   1.250  -3.172
  741   3HG1  VAL  92          3HG1      VAL  92   2.338  -0.440  -3.690
  742   1HG2  VAL  92          1HG2      VAL  92   2.281  -0.683  -6.561
  743   2HG2  VAL  92          2HG2      VAL  92   3.427  -1.061  -5.269
  744   3HG2  VAL  92          3HG2      VAL  92   3.950  -0.116  -6.668
  745    H    LYS  93           H        LYS  93   2.967   3.652  -4.845
  746    HA   LYS  93           HA       LYS  93   0.985   4.329  -2.951
  747   1HB   LYS  93          2HB       LYS  93   3.395   5.001  -2.840
  748   2HB   LYS  93          1HB       LYS  93   3.099   6.136  -4.159
  749   1HG   LYS  93          2HG       LYS  93   1.458   7.331  -2.805
  750   2HG   LYS  93          1HG       LYS  93   1.636   6.156  -1.503
  751   1HD   LYS  93          2HD       LYS  93   2.998   8.035  -0.898
  752   2HD   LYS  93          1HD       LYS  93   4.109   6.778  -1.444
  753   1HE   LYS  93          2HE       LYS  93   4.636   9.026  -2.406
  754   2HE   LYS  93          1HE       LYS  93   4.278   7.818  -3.640
  755   1HZ   LYS  93          1HZ       LYS  93   3.106  10.138  -3.573
  756   2HZ   LYS  93          2HZ       LYS  93   2.068   9.343  -2.650
  757   3HZ   LYS  93          3HZ       LYS  93   2.366   8.835  -4.138
  758    H    ASP  94           H        ASP  94   1.895   5.805  -6.049
  759    HA   ASP  94           HA       ASP  94   0.023   7.797  -6.279
  760   1HB   ASP  94          2HB       ASP  94   1.900   6.751  -7.925
  761   2HB   ASP  94          1HB       ASP  94   0.435   6.169  -8.716
  762    H    LEU  95           H        LEU  95  -0.614   4.373  -6.231
  763    HA   LEU  95           HA       LEU  95  -3.242   4.773  -7.470
  764   1HB   LEU  95          2HB       LEU  95  -2.336   2.258  -6.076
  765   2HB   LEU  95          1HB       LEU  95  -3.487   2.430  -7.399
  766    HG   LEU  95           HG       LEU  95  -0.483   2.636  -7.503
  767   1HD1  LEU  95          1HD1      LEU  95  -0.628   0.622  -8.501
  768   2HD1  LEU  95          2HD1      LEU  95  -1.889   1.189  -9.596
  769   3HD1  LEU  95          3HD1      LEU  95  -2.316   0.591  -7.993
  770   1HD2  LEU  95          1HD2      LEU  95  -0.710   3.406  -9.827
  771   2HD2  LEU  95          2HD2      LEU  95  -1.479   4.560  -8.738
  772   3HD2  LEU  95          3HD2      LEU  95  -2.466   3.429  -9.663
  773    H    LEU  96           H        LEU  96  -1.711   3.900  -4.409
  774    HA   LEU  96           HA       LEU  96  -3.759   3.510  -2.696
  775   1HB   LEU  96          2HB       LEU  96  -1.393   5.375  -2.296
  776   2HB   LEU  96          1HB       LEU  96  -2.344   4.666  -1.004
  777    HG   LEU  96           HG       LEU  96  -0.444   3.310  -2.916
  778   1HD1  LEU  96          1HD1      LEU  96  -0.525   3.970  -0.117
  779   2HD1  LEU  96          2HD1      LEU  96   0.796   3.275  -1.061
  780   3HD1  LEU  96          3HD1      LEU  96  -0.406   2.220  -0.314
  781   1HD2  LEU  96          1HD2      LEU  96  -2.761   2.064  -1.418
  782   2HD2  LEU  96          2HD2      LEU  96  -1.375   1.133  -1.989
  783   3HD2  LEU  96          3HD2      LEU  96  -2.415   1.967  -3.145
  784    H    GLN  97           H        GLN  97  -2.450   6.766  -3.357
  785    HA   GLN  97           HA       GLN  97  -4.707   8.102  -2.180
  786   1HB   GLN  97          2HB       GLN  97  -2.730   9.290  -4.139
  787   2HB   GLN  97          1HB       GLN  97  -3.699  10.141  -2.939
  788   1HG   GLN  97          2HG       GLN  97  -1.944   9.937  -1.541
  789   2HG   GLN  97          1HG       GLN  97  -2.335   8.218  -1.457
  790   1HE2  GLN  97          1HE2      GLN  97  -1.654   7.828  -4.373
  791   2HE2  GLN  97          2HE2      GLN  97   0.040   7.814  -4.412
  792    H    GLN  98           H        GLN  98  -4.561   6.355  -4.931
  793    HA   GLN  98           HA       GLN  98  -6.245   8.127  -6.536
  794   1HB   GLN  98          2HB       GLN  98  -4.284   6.591  -7.384
  795   2HB   GLN  98          1HB       GLN  98  -5.494   5.311  -7.273
  796   1HG   GLN  98          2HG       GLN  98  -6.941   7.232  -8.543
  797   2HG   GLN  98          1HG       GLN  98  -5.328   7.589  -9.161
  798   1HE2  GLN  98          1HE2      GLN  98  -6.803   4.417  -8.297
  799   2HE2  GLN  98          2HE2      GLN  98  -6.587   3.731  -9.835
  800    H    LEU  99           H        LEU  99  -6.314   5.310  -4.467
  801    HA   LEU  99           HA       LEU  99  -9.106   4.728  -5.170
  802   1HB   LEU  99          2HB       LEU  99  -7.704   3.400  -2.887
  803   2HB   LEU  99          1HB       LEU  99  -8.833   2.709  -4.048
  804    HG   LEU  99           HG       LEU  99  -6.624   3.513  -5.587
  805   1HD1  LEU  99          1HD1      LEU  99  -5.559   1.814  -3.375
  806   2HD1  LEU  99          2HD1      LEU  99  -5.615   3.562  -3.130
  807   3HD1  LEU  99          3HD1      LEU  99  -4.696   2.881  -4.472
  808   1HD2  LEU  99          1HD2      LEU  99  -7.140   1.456  -6.342
  809   2HD2  LEU  99          2HD2      LEU  99  -8.065   1.122  -4.877
  810   3HD2  LEU  99          3HD2      LEU  99  -6.333   0.782  -4.925
  811    H    LEU 100           H        LEU 100  -7.187   6.367  -2.794
  812    HA   LEU 100           HA       LEU 100  -8.712   6.336  -0.544
  813   1HB   LEU 100          2HB       LEU 100  -6.627   7.583  -0.644
  814   2HB   LEU 100          1HB       LEU 100  -7.329   8.740  -1.762
  815    HG   LEU 100           HG       LEU 100  -7.234   9.423   0.714
  816   1HD1  LEU 100          1HD1      LEU 100 -10.042   9.733   0.202
  817   2HD1  LEU 100          2HD1      LEU 100  -9.164   9.872  -1.322
  818   3HD1  LEU 100          3HD1      LEU 100  -8.755  10.927   0.031
  819   1HD2  LEU 100          1HD2      LEU 100  -9.161   8.569   2.062
  820   2HD2  LEU 100          2HD2      LEU 100  -7.984   7.311   1.684
  821   3HD2  LEU 100          3HD2      LEU 100  -9.497   7.402   0.783
  822    HA   PRO 101           HA       PRO 101 -11.580   9.547  -2.712
  823   1HB   PRO 101          2HB       PRO 101 -11.355   8.445  -5.457
  824   2HB   PRO 101          1HB       PRO 101 -11.509  10.133  -4.945
  825   1HG   PRO 101          2HG       PRO 101  -9.173   8.983  -5.832
  826   2HG   PRO 101          1HG       PRO 101  -9.229  10.381  -4.744
  827   1HD   PRO 101          2HD       PRO 101  -8.400   7.649  -4.164
  828   2HD   PRO 101          1HD       PRO 101  -8.225   9.107  -3.174
  829    H    LYS 102           H        LYS 102 -11.301   6.204  -2.824
  830    HA   LYS 102           HA       LYS 102 -13.914   5.617  -3.943
  831   1HB   LYS 102          2HB       LYS 102 -12.082   4.084  -4.325
  832   2HB   LYS 102          1HB       LYS 102 -11.791   3.962  -2.588
  833   1HG   LYS 102          2HG       LYS 102 -13.390   2.421  -2.313
  834   2HG   LYS 102          1HG       LYS 102 -14.551   3.332  -3.286
  835   1HD   LYS 102          2HD       LYS 102 -12.731   2.456  -5.173
  836   2HD   LYS 102          1HD       LYS 102 -12.814   1.094  -4.056
  837   1HE   LYS 102          2HE       LYS 102 -15.265   2.455  -5.203
  838   2HE   LYS 102          1HE       LYS 102 -14.524   1.024  -5.920
  839   1HZ   LYS 102          1HZ       LYS 102 -16.318   0.544  -4.352
  840   2HZ   LYS 102          2HZ       LYS 102 -15.444   1.153  -3.158
  841   3HZ   LYS 102          3HZ       LYS 102 -14.936  -0.149  -3.936
  842    H    PHE 103           H        PHE 103 -12.407   5.419  -0.727
  843    HA   PHE 103           HA       PHE 103 -15.053   4.761   0.378
  844   1HB   PHE 103          2HB       PHE 103 -13.361   4.421   2.494
  845   2HB   PHE 103          1HB       PHE 103 -13.708   3.149   1.323
  846    HD1  PHE 103           HD1      PHE 103 -12.251   2.965  -0.732
  847    HD2  PHE 103           HD2      PHE 103 -11.182   5.330   2.687
  848    HE1  PHE 103           HE1      PHE 103  -9.927   3.069  -1.542
  849    HE2  PHE 103           HE2      PHE 103  -8.835   5.425   1.888
  850    HZ   PHE 103           HZ       PHE 103  -8.209   4.304  -0.233
  851    H    LYS 104           H        LYS 104 -13.214   7.409  -0.174
  852    HA   LYS 104           HA       LYS 104 -13.737   8.738   2.378
  853   1HB   LYS 104          2HB       LYS 104 -11.778   9.017   0.447
  854   2HB   LYS 104          1HB       LYS 104 -12.828  10.397   0.147
  855   1HG   LYS 104          2HG       LYS 104 -11.018  10.874   1.810
  856   2HG   LYS 104          1HG       LYS 104 -12.640  11.098   2.467
  857   1HD   LYS 104          2HD       LYS 104 -12.037   8.384   2.894
  858   2HD   LYS 104          1HD       LYS 104 -10.572   9.259   3.319
  859   1HE   LYS 104          2HE       LYS 104 -11.521   9.974   5.234
  860   2HE   LYS 104          1HE       LYS 104 -12.840  10.708   4.324
  861   1HZ   LYS 104          1HZ       LYS 104 -13.263   8.773   5.961
  862   2HZ   LYS 104          2HZ       LYS 104 -12.881   7.859   4.704
  863   3HZ   LYS 104          3HZ       LYS 104 -14.105   8.884   4.604
  864    H    ARG 105           H        ARG 105 -14.176  11.302   1.080
  865    HA   ARG 105           HA       ARG 105 -16.891  10.890  -0.017
  866   1HB   ARG 105          2HB       ARG 105 -17.032  11.523   2.382
  867   2HB   ARG 105          1HB       ARG 105 -16.099  12.979   2.034
  868   1HG   ARG 105          2HG       ARG 105 -17.845  13.695   0.424
  869   2HG   ARG 105          1HG       ARG 105 -18.787  12.261   0.827
  870   1HD   ARG 105          2HD       ARG 105 -19.551  13.179   2.739
  871   2HD   ARG 105          1HD       ARG 105 -17.950  13.746   3.206
  872    HE   ARG 105           HE       ARG 105 -20.016  15.338   2.177
  873   1HH1  ARG 105          1HH2      ARG 105 -16.655  14.712   1.615
  874   2HH1  ARG 105          2HH2      ARG 105 -16.413  16.172   0.722
  875   1HH2  ARG 105          1HH1      ARG 105 -19.690  17.240   1.037
  876   2HH2  ARG 105          2HH1      ARG 105 -18.119  17.602   0.402
  877    H    LYS 106           H        LYS 106 -16.539  11.551  -2.113
  878    HA   LYS 106           HA       LYS 106 -14.741  13.744  -2.693
  879   1HB   LYS 106          2HB       LYS 106 -16.715  12.497  -4.606
  880   2HB   LYS 106          1HB       LYS 106 -15.164  13.253  -4.972
  881   1HG   LYS 106          2HG       LYS 106 -14.089  11.294  -4.707
  882   2HG   LYS 106          1HG       LYS 106 -14.782  11.089  -3.098
  883   1HD   LYS 106          2HD       LYS 106 -15.558   9.220  -4.356
  884   2HD   LYS 106          1HD       LYS 106 -16.925  10.332  -4.282
  885   1HE   LYS 106          2HE       LYS 106 -16.046  11.276  -6.515
  886   2HE   LYS 106          1HE       LYS 106 -15.056   9.819  -6.597
  887   1HZ   LYS 106          1HZ       LYS 106 -16.946   9.139  -7.599
  888   2HZ   LYS 106          2HZ       LYS 106 -17.923  10.063  -6.730
  889   3HZ   LYS 106          3HZ       LYS 106 -17.315   8.725  -6.097
  890    H    ALA 107           H        ALA 107 -18.148  13.285  -3.684
  891    HA   ALA 107           HA       ALA 107 -18.548  16.151  -3.050
  892   1HB   ALA 107          1HB       ALA 107 -18.619  15.763  -5.463
  893   2HB   ALA 107          2HB       ALA 107 -20.240  16.134  -4.876
  894   3HB   ALA 107          3HB       ALA 107 -19.795  14.467  -5.241
  895    H    ASN 108           H        ASN 108 -20.375  13.098  -3.515
  896    HA   ASN 108           HA       ASN 108 -22.223  14.048  -1.417
  897   1HB   ASN 108          2HB       ASN 108 -22.595  12.707  -3.923
  898   2HB   ASN 108          1HB       ASN 108 -23.137  11.638  -2.628
  899   1HD2  ASN 108          1HD2      ASN 108 -25.138  12.122  -1.656
  900   2HD2  ASN 108          2HD2      ASN 108 -26.020  13.542  -1.946
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -17.269 -14.877 -16.317
    2   2H    MET   1          2H        MET   1 -16.574 -13.465 -16.607
    3   3H    MET   1          3H        MET   1 -17.940 -13.850 -17.346
    4    HA   MET   1           HA       MET   1 -17.796 -12.348 -15.161
    5   1HB   MET   1          2HB       MET   1 -19.715 -12.824 -16.842
    6   2HB   MET   1          1HB       MET   1 -20.172 -14.117 -15.732
    7   1HG   MET   1          2HG       MET   1 -20.086 -12.336 -13.881
    8   2HG   MET   1          1HG       MET   1 -20.049 -11.149 -15.184
    9   1HE   MET   1          1HE       MET   1 -21.494 -13.620 -13.209
   10   2HE   MET   1          2HE       MET   1 -22.819 -14.368 -14.096
   11   3HE   MET   1          3HE       MET   1 -23.143 -13.005 -13.028
   12    H    ALA   2           H        ALA   2 -16.247 -14.730 -14.568
   13    HA   ALA   2           HA       ALA   2 -17.557 -15.412 -12.031
   14   1HB   ALA   2          1HB       ALA   2 -16.928 -17.821 -12.382
   15   2HB   ALA   2          2HB       ALA   2 -16.542 -17.424 -14.057
   16   3HB   ALA   2          3HB       ALA   2 -18.196 -17.254 -13.469
   17    H    THR   3           H        THR   3 -15.116 -13.891 -13.183
   18    HA   THR   3           HA       THR   3 -12.791 -15.298 -12.388
   19    HB   THR   3           HB       THR   3 -11.931 -12.830 -12.116
   20    HG1  THR   3           HG1      THR   3 -13.993 -11.906 -11.997
   21   1HG2  THR   3          1HG2      THR   3 -12.791 -13.093 -14.889
   22   2HG2  THR   3          2HG2      THR   3 -12.166 -14.611 -14.245
   23   3HG2  THR   3          3HG2      THR   3 -11.164 -13.160 -14.210
   24    H    SER   4           H        SER   4 -11.452 -13.798 -10.547
   25    HA   SER   4           HA       SER   4 -12.299 -14.757  -8.100
   26   1HB   SER   4          2HB       SER   4 -10.183 -13.221  -8.996
   27   2HB   SER   4          1HB       SER   4 -11.027 -12.123  -7.909
   28    HG   SER   4           HG       SER   4 -10.674 -14.765  -7.086
   29    H    SER   5           H        SER   5 -12.822 -13.062  -6.201
   30    HA   SER   5           HA       SER   5 -15.370 -11.861  -7.001
   31   1HB   SER   5          2HB       SER   5 -14.094 -12.546  -4.356
   32   2HB   SER   5          1HB       SER   5 -15.526 -11.525  -4.448
   33    HG   SER   5           HG       SER   5 -15.314 -14.071  -5.682
   34    H    GLU   6           H        GLU   6 -12.799 -10.814  -4.733
   35    HA   GLU   6           HA       GLU   6 -13.467  -8.068  -5.081
   36   1HB   GLU   6          2HB       GLU   6 -10.798  -9.096  -4.124
   37   2HB   GLU   6          1HB       GLU   6 -11.624  -7.608  -3.665
   38   1HG   GLU   6          2HG       GLU   6 -12.296  -8.812  -1.854
   39   2HG   GLU   6          1HG       GLU   6 -13.493  -9.470  -2.970
   40    H    GLU   7           H        GLU   7 -11.971  -6.445  -5.976
   41    HA   GLU   7           HA       GLU   7 -10.437  -7.519  -8.277
   42   1HB   GLU   7          2HB       GLU   7 -11.778  -4.809  -8.213
   43   2HB   GLU   7          1HB       GLU   7 -11.141  -5.677  -9.611
   44   1HG   GLU   7          2HG       GLU   7 -13.143  -7.248  -8.187
   45   2HG   GLU   7          1HG       GLU   7 -13.790  -5.699  -8.731
   46    H    VAL   8           H        VAL   8  -8.201  -7.172  -7.725
   47    HA   VAL   8           HA       VAL   8  -7.699  -4.925  -5.954
   48    HB   VAL   8           HB       VAL   8  -5.980  -6.189  -5.150
   49   1HG1  VAL   8          1HG1      VAL   8  -6.423  -8.491  -5.158
   50   2HG1  VAL   8          2HG1      VAL   8  -6.911  -8.489  -6.851
   51   3HG1  VAL   8          3HG1      VAL   8  -7.984  -7.814  -5.627
   52   1HG2  VAL   8          1HG2      VAL   8  -5.398  -7.023  -8.013
   53   2HG2  VAL   8          2HG2      VAL   8  -4.428  -7.502  -6.620
   54   3HG2  VAL   8          3HG2      VAL   8  -4.532  -5.802  -7.079
   55    H    LEU   9           H        LEU   9  -6.004  -3.438  -6.444
   56    HA   LEU   9           HA       LEU   9  -5.907  -2.893  -9.326
   57   1HB   LEU   9          2HB       LEU   9  -6.689  -1.060  -8.018
   58   2HB   LEU   9          1HB       LEU   9  -5.343  -1.206  -6.888
   59    HG   LEU   9           HG       LEU   9  -3.759  -0.529  -8.594
   60   1HD1  LEU   9          1HD1      LEU   9  -4.247  -1.095 -10.724
   61   2HD1  LEU   9          2HD1      LEU   9  -5.312   0.310 -10.763
   62   3HD1  LEU   9          3HD1      LEU   9  -5.961  -1.277 -10.350
   63   1HD2  LEU   9          1HD2      LEU   9  -4.617   1.756  -9.091
   64   2HD2  LEU   9          2HD2      LEU   9  -4.915   1.288  -7.416
   65   3HD2  LEU   9          3HD2      LEU   9  -6.228   1.238  -8.593
   66    H    LEU  10           H        LEU  10  -3.516  -3.563  -6.652
   67    HA   LEU  10           HA       LEU  10  -1.632  -4.299  -8.641
   68   1HB   LEU  10          2HB       LEU  10  -1.461  -1.974  -9.188
   69   2HB   LEU  10          1HB       LEU  10  -1.358  -1.518  -7.488
   70    HG   LEU  10           HG       LEU  10   0.776  -2.811  -7.319
   71   1HD1  LEU  10          1HD1      LEU  10  -0.069  -3.978  -9.667
   72   2HD1  LEU  10          2HD1      LEU  10   1.573  -4.071  -9.031
   73   3HD1  LEU  10          3HD1      LEU  10   1.162  -2.851 -10.236
   74   1HD2  LEU  10          1HD2      LEU  10   0.661  -0.657  -9.455
   75   2HD2  LEU  10          2HD2      LEU  10   2.134  -1.189  -8.645
   76   3HD2  LEU  10          3HD2      LEU  10   0.857  -0.397  -7.722
   77    H    ILE  11           H        ILE  11   0.226  -5.201  -7.732
   78    HA   ILE  11           HA       ILE  11   0.543  -4.915  -4.828
   79    HB   ILE  11           HB       ILE  11  -0.702  -6.901  -4.827
   80   1HG1  ILE  11          2HG1      ILE  11   1.763  -7.021  -3.910
   81   2HG1  ILE  11          1HG1      ILE  11   0.822  -8.497  -4.027
   82   1HG2  ILE  11          1HG2      ILE  11   0.802  -7.637  -7.353
   83   2HG2  ILE  11          2HG2      ILE  11  -0.906  -7.221  -7.220
   84   3HG2  ILE  11          3HG2      ILE  11  -0.306  -8.721  -6.512
   85   1HD1  ILE  11          1HD1      ILE  11   3.327  -8.109  -5.131
   86   2HD1  ILE  11          2HD1      ILE  11   2.249  -7.868  -6.506
   87   3HD1  ILE  11          3HD1      ILE  11   2.194  -9.378  -5.597
   88    H    VAL  12           H        VAL  12   2.654  -5.056  -4.174
   89    HA   VAL  12           HA       VAL  12   4.653  -5.704  -6.263
   90    HB   VAL  12           HB       VAL  12   6.024  -4.076  -4.550
   91   1HG1  VAL  12          1HG1      VAL  12   4.731  -3.805  -7.178
   92   2HG1  VAL  12          2HG1      VAL  12   6.365  -3.365  -6.678
   93   3HG1  VAL  12          3HG1      VAL  12   5.022  -2.262  -6.373
   94   1HG2  VAL  12          1HG2      VAL  12   3.163  -3.094  -4.680
   95   2HG2  VAL  12          2HG2      VAL  12   4.530  -2.075  -4.227
   96   3HG2  VAL  12          3HG2      VAL  12   4.097  -3.466  -3.231
   97    H    LYS  13           H        LYS  13   5.648  -7.565  -5.631
   98    HA   LYS  13           HA       LYS  13   5.138  -8.705  -3.118
   99   1HB   LYS  13          2HB       LYS  13   5.997 -10.006  -5.048
  100   2HB   LYS  13          1HB       LYS  13   7.547  -9.180  -4.888
  101   1HG   LYS  13          2HG       LYS  13   7.681 -10.046  -2.527
  102   2HG   LYS  13          1HG       LYS  13   6.238 -11.005  -2.855
  103   1HD   LYS  13          2HD       LYS  13   8.714 -11.166  -4.584
  104   2HD   LYS  13          1HD       LYS  13   8.472 -12.206  -3.180
  105   1HE   LYS  13          2HE       LYS  13   6.792 -13.406  -4.184
  106   2HE   LYS  13          1HE       LYS  13   6.213 -12.020  -5.109
  107   1HZ   LYS  13          1HZ       LYS  13   8.613 -12.434  -6.132
  108   2HZ   LYS  13          2HZ       LYS  13   7.267 -13.035  -6.756
  109   3HZ   LYS  13          3HZ       LYS  13   8.182 -13.941  -5.807
  110    H    LYS  14           H        LYS  14   8.521  -7.964  -3.849
  111    HA   LYS  14           HA       LYS  14   9.167  -7.562  -1.252
  112   1HB   LYS  14          2HB       LYS  14  10.303  -6.468  -3.788
  113   2HB   LYS  14          1HB       LYS  14  10.934  -5.912  -2.239
  114   1HG   LYS  14          2HG       LYS  14  11.999  -8.022  -3.404
  115   2HG   LYS  14          1HG       LYS  14  11.769  -7.993  -1.658
  116   1HD   LYS  14          2HD       LYS  14   9.634  -9.207  -1.918
  117   2HD   LYS  14          1HD       LYS  14   9.875  -9.252  -3.667
  118   1HE   LYS  14          2HE       LYS  14  10.652 -11.362  -2.835
  119   2HE   LYS  14          1HE       LYS  14  12.095 -10.417  -3.205
  120   1HZ   LYS  14          1HZ       LYS  14  10.983 -10.279  -0.548
  121   2HZ   LYS  14          2HZ       LYS  14  12.504 -10.109  -1.014
  122   3HZ   LYS  14          3HZ       LYS  14  11.850 -11.567  -0.941
  123    H    VAL  15           H        VAL  15   9.034  -6.105   0.179
  124    HA   VAL  15           HA       VAL  15   8.572  -3.346  -0.446
  125    HB   VAL  15           HB       VAL  15   6.274  -4.853   0.751
  126   1HG1  VAL  15          1HG1      VAL  15   7.109  -2.997   2.369
  127   2HG1  VAL  15          2HG1      VAL  15   5.435  -2.895   1.824
  128   3HG1  VAL  15          3HG1      VAL  15   6.662  -1.870   1.087
  129   1HG2  VAL  15          1HG2      VAL  15   5.692  -4.278  -1.369
  130   2HG2  VAL  15          2HG2      VAL  15   6.928  -3.020  -1.463
  131   3HG2  VAL  15          3HG2      VAL  15   5.398  -2.697  -0.645
  132    H    ARG  16           H        ARG  16   9.040  -1.993   1.303
  133    HA   ARG  16           HA       ARG  16  10.351  -3.437   3.538
  134   1HB   ARG  16          2HB       ARG  16  11.938  -2.397   1.916
  135   2HB   ARG  16          1HB       ARG  16  11.158  -0.851   2.168
  136   1HG   ARG  16          2HG       ARG  16  12.869  -0.649   3.697
  137   2HG   ARG  16          1HG       ARG  16  11.650  -1.410   4.720
  138   1HD   ARG  16          2HD       ARG  16  13.880  -2.509   4.907
  139   2HD   ARG  16          1HD       ARG  16  12.632  -3.606   4.315
  140    HE   ARG  16           HE       ARG  16  13.693  -2.655   2.018
  141   1HH1  ARG  16          1HH2      ARG  16  14.997  -3.975   4.937
  142   2HH1  ARG  16          2HH2      ARG  16  16.367  -4.681   4.150
  143   1HH2  ARG  16          1HH1      ARG  16  15.473  -3.572   0.993
  144   2HH2  ARG  16          2HH1      ARG  16  16.636  -4.455   1.924
  145    H    GLN  17           H        GLN  17   9.745  -2.783   5.472
  146    HA   GLN  17           HA       GLN  17   8.500  -0.147   5.715
  147   1HB   GLN  17          2HB       GLN  17   6.766  -1.215   7.225
  148   2HB   GLN  17          1HB       GLN  17   6.602  -1.625   5.527
  149   1HG   GLN  17          2HG       GLN  17   7.594  -3.761   5.820
  150   2HG   GLN  17          1HG       GLN  17   8.093  -3.371   7.454
  151   1HE2  GLN  17          1HE2      GLN  17   5.543  -2.071   8.227
  152   2HE2  GLN  17          2HE2      GLN  17   4.390  -3.307   8.341
  153    H    LYS  18           H        LYS  18   9.455   0.860   7.403
  154    HA   LYS  18           HA       LYS  18  11.750   0.233   8.515
  155   1HB   LYS  18          2HB       LYS  18   9.616   1.963   9.301
  156   2HB   LYS  18          1HB       LYS  18  10.324   1.249  10.750
  157   1HG   LYS  18          2HG       LYS  18  12.606   1.844   9.757
  158   2HG   LYS  18          1HG       LYS  18  11.726   2.827   8.585
  159   1HD   LYS  18          2HD       LYS  18  10.967   4.324  10.207
  160   2HD   LYS  18          1HD       LYS  18  11.151   3.154  11.514
  161   1HE   LYS  18          2HE       LYS  18  12.993   4.519  11.899
  162   2HE   LYS  18          1HE       LYS  18  13.708   3.290  10.856
  163   1HZ   LYS  18          1HZ       LYS  18  12.663   5.139   9.190
  164   2HZ   LYS  18          2HZ       LYS  18  14.215   4.952   9.532
  165   3HZ   LYS  18          3HZ       LYS  18  13.340   6.016  10.346
  166    H    LYS  19           H        LYS  19   8.827  -1.486   9.425
  167    HA   LYS  19           HA       LYS  19  10.079  -2.607  11.773
  168   1HB   LYS  19          2HB       LYS  19   8.066  -3.889  12.016
  169   2HB   LYS  19          1HB       LYS  19   7.564  -2.296  11.465
  170   1HG   LYS  19          2HG       LYS  19   7.416  -3.180   9.122
  171   2HG   LYS  19          1HG       LYS  19   7.846  -4.783   9.718
  172   1HD   LYS  19          2HD       LYS  19   5.376  -3.181  10.396
  173   2HD   LYS  19          1HD       LYS  19   5.464  -4.706   9.507
  174   1HE   LYS  19          2HE       LYS  19   6.248  -4.306  12.415
  175   2HE   LYS  19          1HE       LYS  19   4.777  -5.096  11.847
  176   1HZ   LYS  19          1HZ       LYS  19   7.519  -6.001  11.489
  177   2HZ   LYS  19          2HZ       LYS  19   6.303  -6.619  10.652
  178   3HZ   LYS  19          3HZ       LYS  19   6.331  -6.763  12.245
  179    H    GLN  20           H        GLN  20   9.115  -3.875   8.601
  180    HA   GLN  20           HA       GLN  20  11.307  -5.782   8.613
  181   1HB   GLN  20          2HB       GLN  20   9.626  -7.004   9.790
  182   2HB   GLN  20          1HB       GLN  20   8.372  -6.462   8.684
  183   1HG   GLN  20          2HG       GLN  20   9.254  -7.800   6.893
  184   2HG   GLN  20          1HG       GLN  20  10.721  -8.144   7.804
  185   1HE2  GLN  20          1HE2      GLN  20   8.971 -10.225   6.793
  186   2HE2  GLN  20          2HE2      GLN  20   8.317 -11.036   8.133
  187    H    ASP  21           H        ASP  21  11.280  -7.011   6.446
  188    HA   ASP  21           HA       ASP  21  10.193  -5.207   4.352
  189   1HB   ASP  21          2HB       ASP  21  12.113  -7.401   3.653
  190   2HB   ASP  21          1HB       ASP  21  11.953  -5.794   2.921
  191    H    GLY  22           H        GLY  22   8.644  -6.145   3.138
  192   1HA   GLY  22          2HA       GLY  22   8.196  -8.986   3.116
  193   2HA   GLY  22          1HA       GLY  22   7.048  -8.105   4.103
  194    H    ALA  23           H        ALA  23   6.207  -9.456   1.756
  195    HA   ALA  23           HA       ALA  23   6.106  -7.505  -0.270
  196   1HB   ALA  23          1HB       ALA  23   6.163  -9.733  -1.045
  197   2HB   ALA  23          2HB       ALA  23   4.503  -9.208  -1.332
  198   3HB   ALA  23          3HB       ALA  23   4.879 -10.222   0.062
  199    H    LEU  24           H        LEU  24   4.687  -6.140  -0.778
  200    HA   LEU  24           HA       LEU  24   2.316  -5.851   0.989
  201   1HB   LEU  24          2HB       LEU  24   4.309  -4.066   0.010
  202   2HB   LEU  24          1HB       LEU  24   2.763  -3.526  -0.614
  203    HG   LEU  24           HG       LEU  24   3.654  -3.887   2.234
  204   1HD1  LEU  24          1HD1      LEU  24   2.315  -1.535   2.057
  205   2HD1  LEU  24          2HD1      LEU  24   2.845  -1.695   0.386
  206   3HD1  LEU  24          3HD1      LEU  24   4.032  -1.680   1.686
  207   1HD2  LEU  24          1HD2      LEU  24   1.167  -3.166   2.666
  208   2HD2  LEU  24          2HD2      LEU  24   1.533  -4.871   2.402
  209   3HD2  LEU  24          3HD2      LEU  24   0.869  -3.897   1.089
  210    H    TYR  25           H        TYR  25   0.291  -5.862   0.133
  211    HA   TYR  25           HA       TYR  25   0.013  -6.096  -2.813
  212   1HB   TYR  25          2HB       TYR  25  -1.245  -7.478  -0.487
  213   2HB   TYR  25          1HB       TYR  25  -2.299  -7.095  -1.843
  214    HD1  TYR  25           HD1      TYR  25   0.877  -8.808  -0.919
  215    HD2  TYR  25           HD2      TYR  25  -2.249  -8.361  -3.828
  216    HE1  TYR  25           HE1      TYR  25   1.730 -10.795  -2.128
  217    HE2  TYR  25           HE2      TYR  25  -1.401 -10.357  -5.045
  218    HH   TYR  25           HH       TYR  25   1.370 -12.225  -3.800
  219    H    LEU  26           H        LEU  26  -1.601  -4.659  -3.773
  220    HA   LEU  26           HA       LEU  26  -2.970  -2.964  -1.794
  221   1HB   LEU  26          2HB       LEU  26  -1.731  -1.302  -2.761
  222   2HB   LEU  26          1HB       LEU  26  -1.345  -2.275  -4.172
  223    HG   LEU  26           HG       LEU  26  -3.680  -1.874  -5.013
  224   1HD1  LEU  26          1HD1      LEU  26  -4.316   0.462  -3.550
  225   2HD1  LEU  26          2HD1      LEU  26  -3.939  -0.780  -2.356
  226   3HD1  LEU  26          3HD1      LEU  26  -5.196  -1.066  -3.560
  227   1HD2  LEU  26          1HD2      LEU  26  -3.185   0.280  -5.886
  228   2HD2  LEU  26          2HD2      LEU  26  -1.608  -0.438  -5.558
  229   3HD2  LEU  26          3HD2      LEU  26  -2.286   0.746  -4.441
  230    H    MET  27           H        MET  27  -5.188  -2.757  -2.149
  231    HA   MET  27           HA       MET  27  -6.294  -3.838  -4.626
  232   1HB   MET  27          2HB       MET  27  -6.340  -5.799  -3.247
  233   2HB   MET  27          1HB       MET  27  -6.841  -4.875  -1.836
  234   1HG   MET  27          2HG       MET  27  -9.023  -4.746  -2.513
  235   2HG   MET  27          1HG       MET  27  -8.607  -4.712  -4.222
  236   1HE   MET  27          1HE       MET  27  -6.759  -7.816  -2.348
  237   2HE   MET  27          2HE       MET  27  -8.212  -8.305  -1.481
  238   3HE   MET  27          3HE       MET  27  -7.601  -6.662  -1.305
  239    H    ALA  28           H        ALA  28  -8.278  -2.823  -5.096
  240    HA   ALA  28           HA       ALA  28  -8.842  -0.287  -4.379
  241   1HB   ALA  28          1HB       ALA  28 -10.619  -2.608  -5.085
  242   2HB   ALA  28          2HB       ALA  28 -10.299  -1.125  -5.992
  243   3HB   ALA  28          3HB       ALA  28 -11.365  -1.085  -4.588
  244    H    GLU  29           H        GLU  29 -10.049  -3.123  -2.703
  245    HA   GLU  29           HA       GLU  29 -11.192  -1.510  -0.621
  246   1HB   GLU  29          2HB       GLU  29 -11.880  -3.890  -1.547
  247   2HB   GLU  29          1HB       GLU  29 -10.799  -4.426  -0.259
  248   1HG   GLU  29          2HG       GLU  29 -12.761  -4.280   0.942
  249   2HG   GLU  29          1HG       GLU  29 -12.165  -2.633   1.155
  250    H    ARG  30           H        ARG  30  -8.136  -3.402  -0.806
  251    HA   ARG  30           HA       ARG  30  -7.362  -1.997   1.605
  252   1HB   ARG  30          2HB       ARG  30  -7.017  -3.910   3.012
  253   2HB   ARG  30          1HB       ARG  30  -8.683  -3.970   2.461
  254   1HG   ARG  30          2HG       ARG  30  -6.949  -5.309   0.579
  255   2HG   ARG  30          1HG       ARG  30  -6.737  -5.969   2.200
  256   1HD   ARG  30          2HD       ARG  30  -8.557  -7.224   1.568
  257   2HD   ARG  30          1HD       ARG  30  -9.416  -5.809   2.169
  258    HE   ARG  30           HE       ARG  30  -8.908  -5.231  -0.475
  259   1HH1  ARG  30          1HH2      ARG  30 -10.308  -7.852   1.307
  260   2HH1  ARG  30          2HH2      ARG  30 -11.471  -8.237   0.085
  261   1HH2  ARG  30          1HH1      ARG  30 -10.466  -5.727  -2.069
  262   2HH2  ARG  30          2HH1      ARG  30 -11.556  -7.045  -1.817
  263    H    ILE  31           H        ILE  31  -5.274  -2.601   2.390
  264    HA   ILE  31           HA       ILE  31  -3.482  -3.509   0.193
  265    HB   ILE  31           HB       ILE  31  -3.271  -1.387   2.275
  266   1HG1  ILE  31          2HG1      ILE  31  -2.217  -1.881  -0.517
  267   2HG1  ILE  31          1HG1      ILE  31  -3.470  -0.745  -0.024
  268   1HG2  ILE  31          1HG2      ILE  31  -0.849  -1.521   2.440
  269   2HG2  ILE  31          2HG2      ILE  31  -0.808  -2.908   1.352
  270   3HG2  ILE  31          3HG2      ILE  31  -1.515  -3.068   2.958
  271   1HD1  ILE  31          1HD1      ILE  31  -1.810   0.542   1.257
  272   2HD1  ILE  31          2HD1      ILE  31  -1.311   0.400  -0.430
  273   3HD1  ILE  31          3HD1      ILE  31  -0.559  -0.616   0.802
  274    H    ALA  32           H        ALA  32  -2.338  -5.389   0.608
  275    HA   ALA  32           HA       ALA  32  -2.600  -6.485   3.352
  276   1HB   ALA  32          1HB       ALA  32  -3.529  -7.570   1.014
  277   2HB   ALA  32          2HB       ALA  32  -3.169  -8.487   2.476
  278   3HB   ALA  32          3HB       ALA  32  -1.965  -8.364   1.194
  279    H    TRP  33           H        TRP  33  -0.865  -7.786   4.163
  280    HA   TRP  33           HA       TRP  33   1.712  -7.232   2.835
  281   1HB   TRP  33          2HB       TRP  33   1.287  -5.782   4.867
  282   2HB   TRP  33          1HB       TRP  33   1.276  -7.262   5.822
  283    HD1  TRP  33           HD1      TRP  33   3.531  -6.219   2.897
  284    HE1  TRP  33           HE1      TRP  33   5.959  -6.363   3.706
  285    HE3  TRP  33           HE3      TRP  33   2.905  -7.702   7.755
  286    HZ2  TRP  33           HZ2      TRP  33   7.465  -7.025   5.919
  287    HZ3  TRP  33           HZ3      TRP  33   4.884  -8.143   9.157
  288    HH2  TRP  33           HH2      TRP  33   7.172  -7.822   8.245
  289    H    ALA  34           H        ALA  34   3.055  -8.987   2.773
  290    HA   ALA  34           HA       ALA  34   2.547 -11.247   4.514
  291   1HB   ALA  34          1HB       ALA  34   1.095 -12.047   2.945
  292   2HB   ALA  34          2HB       ALA  34   2.606 -12.712   2.323
  293   3HB   ALA  34          3HB       ALA  34   1.925 -11.250   1.608
  294    HA   PRO  35           HA       PRO  35   6.818 -11.610   3.516
  295   1HB   PRO  35          2HB       PRO  35   7.237 -13.700   5.429
  296   2HB   PRO  35          1HB       PRO  35   7.542 -11.970   5.637
  297   1HG   PRO  35          2HG       PRO  35   5.445 -13.546   6.828
  298   2HG   PRO  35          1HG       PRO  35   5.766 -11.820   7.042
  299   1HD   PRO  35          2HD       PRO  35   3.629 -13.051   5.550
  300   2HD   PRO  35          1HD       PRO  35   3.942 -11.322   5.787
  301    H    GLU  36           H        GLU  36   8.294 -14.055   3.835
  302    HA   GLU  36           HA       GLU  36   7.085 -15.621   1.638
  303   1HB   GLU  36          2HB       GLU  36   9.497 -16.430   1.359
  304   2HB   GLU  36          1HB       GLU  36   9.188 -14.744   0.940
  305   1HG   GLU  36          2HG       GLU  36  10.043 -13.993   3.080
  306   2HG   GLU  36          1HG       GLU  36  10.197 -15.656   3.648
  307    H    GLY  37           H        GLY  37   5.817 -16.963   3.061
  308   1HA   GLY  37          2HA       GLY  37   7.329 -19.186   4.133
  309   2HA   GLY  37          1HA       GLY  37   6.487 -18.237   5.360
  310    H    LYS  38           H        LYS  38   5.487 -20.616   5.407
  311    HA   LYS  38           HA       LYS  38   3.746 -21.580   3.508
  312   1HB   LYS  38          2HB       LYS  38   3.771 -21.604   6.496
  313   2HB   LYS  38          1HB       LYS  38   2.297 -22.131   5.681
  314   1HG   LYS  38          2HG       LYS  38   4.170 -23.446   4.209
  315   2HG   LYS  38          1HG       LYS  38   4.959 -23.423   5.786
  316   1HD   LYS  38          2HD       LYS  38   3.201 -24.602   6.821
  317   2HD   LYS  38          1HD       LYS  38   2.069 -24.233   5.520
  318   1HE   LYS  38          2HE       LYS  38   4.219 -25.581   4.294
  319   2HE   LYS  38          1HE       LYS  38   3.873 -26.480   5.772
  320   1HZ   LYS  38          1HZ       LYS  38   1.612 -25.664   4.229
  321   2HZ   LYS  38          2HZ       LYS  38   1.868 -27.038   5.008
  322   3HZ   LYS  38          3HZ       LYS  38   2.519 -26.804   3.565
  323    H    ASP  39           H        ASP  39   2.523 -19.639   6.249
  324    HA   ASP  39           HA       ASP  39   0.157 -18.922   4.918
  325   1HB   ASP  39          2HB       ASP  39  -0.086 -17.254   6.710
  326   2HB   ASP  39          1HB       ASP  39   0.441 -18.797   7.381
  327    H    ARG  40           H        ARG  40  -0.295 -17.121   3.701
  328    HA   ARG  40           HA       ARG  40   2.041 -15.622   2.747
  329   1HB   ARG  40          2HB       ARG  40  -0.026 -14.879   1.096
  330   2HB   ARG  40          1HB       ARG  40   1.132 -16.165   0.748
  331   1HG   ARG  40          2HG       ARG  40  -0.424 -17.764   1.946
  332   2HG   ARG  40          1HG       ARG  40  -1.609 -16.458   2.003
  333   1HD   ARG  40          2HD       ARG  40  -1.422 -16.268  -0.496
  334   2HD   ARG  40          1HD       ARG  40  -0.394 -17.700  -0.481
  335    HE   ARG  40           HE       ARG  40  -2.628 -18.489   0.880
  336   1HH1  ARG  40          1HH2      ARG  40  -1.952 -16.990  -2.160
  337   2HH1  ARG  40          2HH2      ARG  40  -3.320 -17.694  -2.955
  338   1HH2  ARG  40          1HH1      ARG  40  -4.412 -19.411  -0.150
  339   2HH2  ARG  40          2HH1      ARG  40  -4.710 -19.061  -1.820
  340    H    PHE  41           H        PHE  41  -1.206 -14.544   2.507
  341    HA   PHE  41           HA       PHE  41  -0.760 -11.929   3.140
  342   1HB   PHE  41          2HB       PHE  41  -3.186 -13.670   3.464
  343   2HB   PHE  41          1HB       PHE  41  -3.222 -11.959   3.913
  344    HD1  PHE  41           HD1      PHE  41  -3.828 -14.152   1.274
  345    HD2  PHE  41           HD2      PHE  41  -1.903 -10.408   2.146
  346    HE1  PHE  41           HE1      PHE  41  -3.956 -13.536  -1.123
  347    HE2  PHE  41           HE2      PHE  41  -2.038  -9.789  -0.262
  348    HZ   PHE  41           HZ       PHE  41  -3.054 -11.361  -1.887
  349    H    THR  42           H        THR  42   0.027 -10.993   4.861
  350    HA   THR  42           HA       THR  42  -0.195 -12.316   7.466
  351    HB   THR  42           HB       THR  42   1.975 -11.232   6.268
  352    HG1  THR  42           HG1      THR  42   2.851 -11.485   8.194
  353   1HG2  THR  42          1HG2      THR  42   0.591  -8.921   6.621
  354   2HG2  THR  42          2HG2      THR  42   2.335  -9.028   6.567
  355   3HG2  THR  42          3HG2      THR  42   1.500  -8.985   8.121
  356    H    ILE  43           H        ILE  43  -0.956  -9.362   5.755
  357    HA   ILE  43           HA       ILE  43  -3.118  -8.859   7.689
  358    HB   ILE  43           HB       ILE  43  -2.423  -6.537   8.103
  359   1HG1  ILE  43          2HG1      ILE  43   0.325  -6.716   7.335
  360   2HG1  ILE  43          1HG1      ILE  43  -0.663  -7.094   5.923
  361   1HG2  ILE  43          1HG2      ILE  43  -0.558  -7.044   9.602
  362   2HG2  ILE  43          2HG2      ILE  43  -0.229  -8.538   8.723
  363   3HG2  ILE  43          3HG2      ILE  43  -1.725  -8.366   9.641
  364   1HD1  ILE  43          1HD1      ILE  43  -2.058  -5.006   6.672
  365   2HD1  ILE  43          2HD1      ILE  43  -0.537  -4.764   5.812
  366   3HD1  ILE  43          3HD1      ILE  43  -0.598  -4.578   7.565
  367    H    SER  44           H        SER  44  -4.306  -6.739   7.029
  368    HA   SER  44           HA       SER  44  -4.196  -6.074   4.234
  369   1HB   SER  44          2HB       SER  44  -6.073  -7.159   3.482
  370   2HB   SER  44          1HB       SER  44  -5.620  -8.316   4.729
  371    HG   SER  44           HG       SER  44  -7.530  -6.230   4.838
  372    H    HIS  45           H        HIS  45  -4.812  -3.898   4.171
  373    HA   HIS  45           HA       HIS  45  -6.326  -2.941   6.528
  374   1HB   HIS  45          2HB       HIS  45  -5.282  -0.856   4.806
  375   2HB   HIS  45          1HB       HIS  45  -5.079  -1.060   6.539
  376    HD1  HIS  45           HD1      HIS  45  -2.728  -0.025   4.957
  377    HD2  HIS  45           HD2      HIS  45  -3.343  -4.083   5.586
  378    HE1  HIS  45           HE1      HIS  45  -0.467  -1.136   4.718
  379    H    MET  46           H        MET  46  -8.477  -2.983   5.909
  380    HA   MET  46           HA       MET  46  -9.296  -2.553   3.234
  381   1HB   MET  46          2HB       MET  46 -10.536  -3.285   5.640
  382   2HB   MET  46          1HB       MET  46 -11.284  -1.758   5.187
  383   1HG   MET  46          2HG       MET  46 -12.301  -2.652   3.353
  384   2HG   MET  46          1HG       MET  46 -10.915  -3.671   2.964
  385   1HE   MET  46          1HE       MET  46 -11.094  -6.553   3.606
  386   2HE   MET  46          2HE       MET  46 -10.977  -6.478   5.362
  387   3HE   MET  46          3HE       MET  46 -10.078  -5.327   4.377
  388    H    TYR  47           H        TYR  47  -8.643  -0.676   2.329
  389    HA   TYR  47           HA       TYR  47  -7.913   1.671   3.300
  390   1HB   TYR  47          2HB       TYR  47  -9.564   1.049   0.877
  391   2HB   TYR  47          1HB       TYR  47  -9.222   2.734   1.286
  392    HD1  TYR  47           HD1      TYR  47  -7.681   3.112  -0.620
  393    HD2  TYR  47           HD2      TYR  47  -6.947  -0.053   2.190
  394    HE1  TYR  47           HE1      TYR  47  -5.375   2.939  -1.429
  395    HE2  TYR  47           HE2      TYR  47  -4.630  -0.244   1.349
  396    HH   TYR  47           HH       TYR  47  -3.585   0.842  -1.439
  397    H    ALA  48           H        ALA  48 -11.392   0.753   3.237
  398    HA   ALA  48           HA       ALA  48 -12.255   3.323   4.198
  399   1HB   ALA  48          1HB       ALA  48 -14.314   1.986   4.910
  400   2HB   ALA  48          2HB       ALA  48 -13.508   0.566   4.243
  401   3HB   ALA  48          3HB       ALA  48 -13.918   1.922   3.191
  402    H    ASP  49           H        ASP  49 -11.543   0.236   5.702
  403    HA   ASP  49           HA       ASP  49 -11.941   1.061   8.409
  404   1HB   ASP  49          2HB       ASP  49 -10.202  -1.162   7.301
  405   2HB   ASP  49          1HB       ASP  49 -10.671  -0.975   8.990
  406    H    ILE  50           H        ILE  50  -9.674   2.039   6.172
  407    HA   ILE  50           HA       ILE  50  -7.805   2.773   8.349
  408    HB   ILE  50           HB       ILE  50  -6.572   2.982   5.746
  409   1HG1  ILE  50          2HG1      ILE  50  -8.077   1.131   5.128
  410   2HG1  ILE  50          1HG1      ILE  50  -6.407   0.583   5.225
  411   1HG2  ILE  50          1HG2      ILE  50  -5.111   1.159   7.041
  412   2HG2  ILE  50          2HG2      ILE  50  -6.067   1.746   8.398
  413   3HG2  ILE  50          3HG2      ILE  50  -5.071   2.868   7.477
  414   1HD1  ILE  50          1HD1      ILE  50  -7.290   0.228   7.813
  415   2HD1  ILE  50          2HD1      ILE  50  -7.193  -1.041   6.593
  416   3HD1  ILE  50          3HD1      ILE  50  -8.713  -0.194   6.865
  417    H    LYS  51           H        LYS  51  -8.045   5.118   8.676
  418    HA   LYS  51           HA       LYS  51  -8.313   6.519   6.092
  419   1HB   LYS  51          2HB       LYS  51 -10.573   6.375   7.042
  420   2HB   LYS  51          1HB       LYS  51  -9.995   7.173   8.504
  421   1HG   LYS  51          2HG       LYS  51 -11.037   8.741   6.783
  422   2HG   LYS  51          1HG       LYS  51  -9.406   9.160   7.314
  423   1HD   LYS  51          2HD       LYS  51  -8.428   8.186   5.323
  424   2HD   LYS  51          1HD       LYS  51 -10.003   7.577   4.800
  425   1HE   LYS  51          2HE       LYS  51 -10.334   9.522   3.715
  426   2HE   LYS  51          1HE       LYS  51 -10.351  10.342   5.276
  427   1HZ   LYS  51          1HZ       LYS  51  -8.408  11.206   4.791
  428   2HZ   LYS  51          2HZ       LYS  51  -8.460  10.566   3.325
  429   3HZ   LYS  51          3HZ       LYS  51  -7.741   9.776   4.517
  430    H    CYS  52           H        CYS  52  -6.503   7.465   6.043
  431    HA   CYS  52           HA       CYS  52  -6.037   9.913   7.069
  432   1HB   CYS  52          2HB       CYS  52  -5.650   8.514   9.233
  433   2HB   CYS  52          1HB       CYS  52  -4.117   8.092   8.478
  434    HG   CYS  52           HG       CYS  52  -4.251  11.002   8.243
  435    H    GLN  53           H        GLN  53  -4.577  10.699   5.554
  436    HA   GLN  53           HA       GLN  53  -2.740   8.656   4.452
  437   1HB   GLN  53          2HB       GLN  53  -4.733  10.318   2.922
  438   2HB   GLN  53          1HB       GLN  53  -3.361   9.525   2.148
  439   1HG   GLN  53          2HG       GLN  53  -5.128   7.918   3.959
  440   2HG   GLN  53          1HG       GLN  53  -5.681   8.284   2.329
  441   1HE2  GLN  53          1HE2      GLN  53  -5.436   6.049   1.615
  442   2HE2  GLN  53          2HE2      GLN  53  -3.901   5.362   1.381
  443    H    LYS  54           H        LYS  54  -0.850   9.281   4.173
  444    HA   LYS  54           HA       LYS  54  -0.174  12.074   3.565
  445   1HB   LYS  54          2HB       LYS  54   0.379  12.150   5.827
  446   2HB   LYS  54          1HB       LYS  54   0.605  10.402   5.929
  447   1HG   LYS  54          2HG       LYS  54   2.805  10.521   5.348
  448   2HG   LYS  54          1HG       LYS  54   2.537  11.827   4.191
  449   1HD   LYS  54          2HD       LYS  54   2.121  12.518   7.048
  450   2HD   LYS  54          1HD       LYS  54   3.787  12.199   6.564
  451   1HE   LYS  54          2HE       LYS  54   3.706  13.891   4.862
  452   2HE   LYS  54          1HE       LYS  54   1.962  14.080   5.050
  453   1HZ   LYS  54          1HZ       LYS  54   2.440  15.608   6.533
  454   2HZ   LYS  54          2HZ       LYS  54   4.007  15.285   6.514
  455   3HZ   LYS  54          3HZ       LYS  54   3.038  14.484   7.504
  456    H    ILE  55           H        ILE  55   0.815  11.789   1.573
  457    HA   ILE  55           HA       ILE  55   2.871   9.700   1.414
  458    HB   ILE  55           HB       ILE  55   1.817   9.425  -1.054
  459   1HG1  ILE  55          2HG1      ILE  55  -0.672   9.231  -0.770
  460   2HG1  ILE  55          1HG1      ILE  55  -0.512  10.021   0.799
  461   1HG2  ILE  55          1HG2      ILE  55   0.641   7.392  -0.114
  462   2HG2  ILE  55          2HG2      ILE  55   1.041   7.992   1.497
  463   3HG2  ILE  55          3HG2      ILE  55   2.328   7.561   0.371
  464   1HD1  ILE  55          1HD1      ILE  55   0.453  11.234  -1.804
  465   2HD1  ILE  55          2HD1      ILE  55   0.379  12.023  -0.228
  466   3HD1  ILE  55          3HD1      ILE  55  -1.110  11.595  -1.071
  467    H    SER  56           H        SER  56   4.546  11.093   1.149
  468    HA   SER  56           HA       SER  56   4.292  13.008  -1.095
  469   1HB   SER  56          2HB       SER  56   5.351  13.302   1.642
  470   2HB   SER  56          1HB       SER  56   6.369  13.979   0.375
  471    HG   SER  56           HG       SER  56   3.678  14.566   1.016
  472    HA   PRO  57           HA       PRO  57   8.079  10.428  -1.496
  473   1HB   PRO  57          2HB       PRO  57   7.123   8.256  -3.096
  474   2HB   PRO  57          1HB       PRO  57   7.894   8.233  -1.504
  475   1HG   PRO  57          2HG       PRO  57   5.149   7.747  -2.101
  476   2HG   PRO  57          1HG       PRO  57   5.921   7.748  -0.530
  477   1HD   PRO  57          2HD       PRO  57   4.133   9.742  -1.595
  478   2HD   PRO  57          1HD       PRO  57   4.911   9.692  -0.005
  479    H    GLU  58           H        GLU  58   7.038  12.541  -3.032
  480    HA   GLU  58           HA       GLU  58   7.272  11.687  -5.827
  481   1HB   GLU  58          2HB       GLU  58   6.037  13.888  -4.421
  482   2HB   GLU  58          1HB       GLU  58   7.158  14.509  -5.634
  483   1HG   GLU  58          2HG       GLU  58   5.853  13.820  -7.352
  484   2HG   GLU  58          1HG       GLU  58   5.546  12.255  -6.599
  485    H    GLY  59           H        GLY  59   9.042  13.273  -3.273
  486   1HA   GLY  59          2HA       GLY  59  11.457  13.180  -4.909
  487   2HA   GLY  59          1HA       GLY  59  11.033  14.734  -4.168
  488    H    LYS  60           H        LYS  60  10.610  11.410  -2.967
  489    HA   LYS  60           HA       LYS  60  11.867  12.302  -0.456
  490   1HB   LYS  60          2HB       LYS  60   9.676  10.474  -1.214
  491   2HB   LYS  60          1HB       LYS  60  10.660   9.936   0.127
  492   1HG   LYS  60          2HG       LYS  60   8.611  11.426   0.671
  493   2HG   LYS  60          1HG       LYS  60  10.143  11.815   1.449
  494   1HD   LYS  60          2HD       LYS  60   9.743  13.111  -1.174
  495   2HD   LYS  60          1HD       LYS  60   8.612  13.621   0.078
  496   1HE   LYS  60          2HE       LYS  60  11.418  13.413   0.970
  497   2HE   LYS  60          1HE       LYS  60  11.116  14.669  -0.231
  498   1HZ   LYS  60          1HZ       LYS  60  10.327  15.837   1.438
  499   2HZ   LYS  60          2HZ       LYS  60  10.364  14.609   2.462
  500   3HZ   LYS  60          3HZ       LYS  60   9.080  14.838   1.535
  501    H    ALA  61           H        ALA  61  12.388  10.090   0.748
  502    HA   ALA  61           HA       ALA  61  14.936   9.267   0.064
  503   1HB   ALA  61          1HB       ALA  61  14.731   7.698   1.732
  504   2HB   ALA  61          2HB       ALA  61  13.166   7.134   1.147
  505   3HB   ALA  61          3HB       ALA  61  13.270   8.618   2.094
  506    H    LYS  62           H        LYS  62  12.048   7.204  -0.507
  507    HA   LYS  62           HA       LYS  62  12.555   6.918  -3.255
  508   1HB   LYS  62          2HB       LYS  62  13.046   4.358  -3.045
  509   2HB   LYS  62          1HB       LYS  62  14.387   5.483  -3.018
  510   1HG   LYS  62          2HG       LYS  62  13.005   4.714  -0.466
  511   2HG   LYS  62          1HG       LYS  62  14.187   3.615  -1.165
  512   1HD   LYS  62          2HD       LYS  62  15.372   6.169  -1.216
  513   2HD   LYS  62          1HD       LYS  62  14.602   6.020   0.367
  514   1HE   LYS  62          2HE       LYS  62  15.788   3.981   0.837
  515   2HE   LYS  62          1HE       LYS  62  16.385   3.878  -0.819
  516   1HZ   LYS  62          1HZ       LYS  62  17.531   5.204   1.299
  517   2HZ   LYS  62          2HZ       LYS  62  17.105   6.318   0.232
  518   3HZ   LYS  62          3HZ       LYS  62  18.068   5.117  -0.207
  519    H    ILE  63           H        ILE  63   9.984   7.361  -2.059
  520    HA   ILE  63           HA       ILE  63   8.027   6.658  -2.180
  521    HB   ILE  63           HB       ILE  63   8.131   5.473  -4.132
  522   1HG1  ILE  63          2HG1      ILE  63   6.918   3.175  -3.209
  523   2HG1  ILE  63          1HG1      ILE  63   6.718   4.282  -1.858
  524   1HG2  ILE  63          1HG2      ILE  63   8.788   2.981  -4.113
  525   2HG2  ILE  63          2HG2      ILE  63   9.653   3.363  -2.630
  526   3HG2  ILE  63          3HG2      ILE  63  10.086   4.175  -4.137
  527   1HD1  ILE  63          1HD1      ILE  63   4.970   5.137  -2.984
  528   2HD1  ILE  63          2HD1      ILE  63   5.449   4.341  -4.481
  529   3HD1  ILE  63          3HD1      ILE  63   6.168   5.887  -4.039
  530    H    GLN  64           H        GLN  64   7.914   7.101  -0.131
  531    HA   GLN  64           HA       GLN  64   7.495   4.739   1.636
  532   1HB   GLN  64          2HB       GLN  64   8.298   5.961   3.516
  533   2HB   GLN  64          1HB       GLN  64   9.491   6.249   2.249
  534   1HG   GLN  64          2HG       GLN  64   7.934   8.319   1.699
  535   2HG   GLN  64          1HG       GLN  64   7.442   8.118   3.381
  536   1HE2  GLN  64          1HE2      GLN  64  10.015   7.171   4.379
  537   2HE2  GLN  64          2HE2      GLN  64  11.093   8.481   4.315
  538    H    LEU  65           H        LEU  65   5.368   4.671   2.462
  539    HA   LEU  65           HA       LEU  65   3.883   7.210   2.234
  540   1HB   LEU  65          2HB       LEU  65   1.851   5.880   1.631
  541   2HB   LEU  65          1HB       LEU  65   3.117   5.880   0.415
  542    HG   LEU  65           HG       LEU  65   1.926   3.649   0.956
  543   1HD1  LEU  65          1HD1      LEU  65   3.817   3.594  -0.459
  544   2HD1  LEU  65          2HD1      LEU  65   4.137   2.387   0.793
  545   3HD1  LEU  65          3HD1      LEU  65   4.924   3.962   0.856
  546   1HD2  LEU  65          1HD2      LEU  65   2.710   2.390   2.811
  547   2HD2  LEU  65          2HD2      LEU  65   2.214   3.951   3.454
  548   3HD2  LEU  65          3HD2      LEU  65   3.925   3.597   3.210
  549    H    GLN  66           H        GLN  66   1.883   7.281   3.648
  550    HA   GLN  66           HA       GLN  66   2.018   5.509   5.982
  551   1HB   GLN  66          2HB       GLN  66   3.213   8.028   6.018
  552   2HB   GLN  66          1HB       GLN  66   1.646   8.283   6.787
  553   1HG   GLN  66          2HG       GLN  66   2.071   6.496   8.379
  554   2HG   GLN  66          1HG       GLN  66   3.564   6.060   7.543
  555   1HE2  GLN  66          1HE2      GLN  66   5.357   7.698   7.599
  556   2HE2  GLN  66          2HE2      GLN  66   5.427   8.810   8.880
  557    H    LEU  67           H        LEU  67   0.015   4.969   6.592
  558    HA   LEU  67           HA       LEU  67  -2.254   6.762   5.973
  559   1HB   LEU  67          2HB       LEU  67  -2.495   5.200   4.245
  560   2HB   LEU  67          1HB       LEU  67  -1.777   3.899   5.184
  561    HG   LEU  67           HG       LEU  67  -4.068   4.496   6.633
  562   1HD1  LEU  67          1HD1      LEU  67  -5.641   4.170   4.424
  563   2HD1  LEU  67          2HD1      LEU  67  -4.412   5.274   3.807
  564   3HD1  LEU  67          3HD1      LEU  67  -5.368   5.721   5.221
  565   1HD2  LEU  67          1HD2      LEU  67  -3.628   2.247   6.345
  566   2HD2  LEU  67          2HD2      LEU  67  -3.214   2.443   4.642
  567   3HD2  LEU  67          3HD2      LEU  67  -4.904   2.438   5.143
  568    H    VAL  68           H        VAL  68  -3.949   6.550   7.579
  569    HA   VAL  68           HA       VAL  68  -3.055   4.916   9.869
  570    HB   VAL  68           HB       VAL  68  -4.611   7.458  10.238
  571   1HG1  VAL  68          1HG1      VAL  68  -3.552   7.311  12.473
  572   2HG1  VAL  68          2HG1      VAL  68  -2.796   5.800  11.983
  573   3HG1  VAL  68          3HG1      VAL  68  -4.553   5.905  12.125
  574   1HG2  VAL  68          1HG2      VAL  68  -1.782   7.484  10.902
  575   2HG2  VAL  68          2HG2      VAL  68  -2.736   8.712  10.068
  576   3HG2  VAL  68          3HG2      VAL  68  -2.068   7.348   9.169
  577    H    LEU  69           H        LEU  69  -4.673   4.217  11.269
  578    HA   LEU  69           HA       LEU  69  -6.963   3.214   9.833
  579   1HB   LEU  69          2HB       LEU  69  -5.911   2.895  12.652
  580   2HB   LEU  69          1HB       LEU  69  -7.332   2.054  12.052
  581    HG   LEU  69           HG       LEU  69  -4.984   0.879  11.998
  582   1HD1  LEU  69          1HD1      LEU  69  -5.692  -0.029   9.615
  583   2HD1  LEU  69          2HD1      LEU  69  -7.163   0.878  10.004
  584   3HD1  LEU  69          3HD1      LEU  69  -6.611  -0.408  11.078
  585   1HD2  LEU  69          1HD2      LEU  69  -3.692   2.512  10.792
  586   2HD2  LEU  69          2HD2      LEU  69  -4.887   2.572   9.503
  587   3HD2  LEU  69          3HD2      LEU  69  -3.919   1.125   9.737
  588    H    HIS  70           H        HIS  70  -9.179   3.771  10.402
  589    HA   HIS  70           HA       HIS  70  -9.721   6.388  11.189
  590   1HB   HIS  70          2HB       HIS  70 -11.944   5.294  12.088
  591   2HB   HIS  70          1HB       HIS  70 -11.601   5.242  10.359
  592    HD1  HIS  70           HD1      HIS  70 -11.049   3.064  13.445
  593    HD2  HIS  70           HD2      HIS  70 -11.596   2.678   9.331
  594    HE1  HIS  70           HE1      HIS  70 -11.171   0.579  12.969
  595    H    ALA  71           H        ALA  71  -9.133   3.488  12.949
  596    HA   ALA  71           HA       ALA  71  -9.616   4.511  15.590
  597   1HB   ALA  71          1HB       ALA  71  -7.726   2.244  14.998
  598   2HB   ALA  71          2HB       ALA  71  -9.461   2.028  14.771
  599   3HB   ALA  71          3HB       ALA  71  -8.824   2.440  16.364
  600    H    GLY  72           H        GLY  72  -7.024   3.578  16.714
  601   1HA   GLY  72          2HA       GLY  72  -5.439   5.949  15.955
  602   2HA   GLY  72          1HA       GLY  72  -5.412   5.174  17.541
  603    H    ASP  73           H        ASP  73  -5.182   3.973  14.298
  604    HA   ASP  73           HA       ASP  73  -2.579   2.727  15.021
  605   1HB   ASP  73          2HB       ASP  73  -5.015   1.550  13.740
  606   2HB   ASP  73          1HB       ASP  73  -3.430   0.943  13.257
  607    H    THR  74           H        THR  74  -0.993   2.846  13.496
  608    HA   THR  74           HA       THR  74  -1.702   4.404  11.097
  609    HB   THR  74           HB       THR  74   1.142   4.080  11.865
  610    HG1  THR  74           HG1      THR  74   0.905   5.692  13.462
  611   1HG2  THR  74          1HG2      THR  74   1.004   5.584  10.151
  612   2HG2  THR  74          2HG2      THR  74   0.683   6.720  11.461
  613   3HG2  THR  74          3HG2      THR  74  -0.656   6.031  10.543
  614    H    THR  75           H        THR  75  -0.648   3.804   9.105
  615    HA   THR  75           HA       THR  75   0.313   1.024   9.067
  616    HB   THR  75           HB       THR  75  -0.968   1.933   6.599
  617    HG1  THR  75           HG1      THR  75  -2.395   1.943   9.027
  618   1HG2  THR  75          1HG2      THR  75  -0.535  -0.368   6.779
  619   2HG2  THR  75          2HG2      THR  75  -2.262  -0.270   7.124
  620   3HG2  THR  75          3HG2      THR  75  -1.107  -0.440   8.446
  621    H    ASN  76           H        ASN  76   2.521   1.484   8.698
  622    HA   ASN  76           HA       ASN  76   3.057   3.612   6.725
  623   1HB   ASN  76          2HB       ASN  76   4.873   2.456   8.859
  624   2HB   ASN  76          1HB       ASN  76   5.260   3.792   7.775
  625   1HD2  ASN  76          1HD2      ASN  76   5.402   5.464   9.375
  626   2HD2  ASN  76          2HD2      ASN  76   4.076   5.953  10.314
  627    H    PHE  77           H        PHE  77   4.246   3.051   4.927
  628    HA   PHE  77           HA       PHE  77   5.491   0.404   4.948
  629   1HB   PHE  77          2HB       PHE  77   2.947   0.895   3.745
  630   2HB   PHE  77          1HB       PHE  77   4.121   0.568   2.477
  631    HD1  PHE  77           HD1      PHE  77   5.961  -1.227   3.443
  632    HD2  PHE  77           HD2      PHE  77   1.775  -1.070   4.403
  633    HE1  PHE  77           HE1      PHE  77   6.009  -3.621   4.033
  634    HE2  PHE  77           HE2      PHE  77   1.827  -3.467   4.978
  635    HZ   PHE  77           HZ       PHE  77   3.953  -4.722   4.787
  636    H    HIS  78           H        HIS  78   7.116   0.186   3.552
  637    HA   HIS  78           HA       HIS  78   7.761   2.529   1.856
  638   1HB   HIS  78          2HB       HIS  78   9.124   2.732   3.891
  639   2HB   HIS  78          1HB       HIS  78   9.760   1.117   3.651
  640    HD1  HIS  78           HD1      HIS  78  11.724   0.869   2.130
  641    HD2  HIS  78           HD2      HIS  78   9.916   4.593   1.649
  642    HE1  HIS  78           HE1      HIS  78  13.109   2.153   0.452
  643    H    PHE  79           H        PHE  79   9.209   2.106   0.194
  644    HA   PHE  79           HA       PHE  79   9.059  -0.718  -0.682
  645   1HB   PHE  79          2HB       PHE  79   8.853   1.884  -2.128
  646   2HB   PHE  79          1HB       PHE  79   9.123   0.376  -2.955
  647    HD1  PHE  79           HD1      PHE  79   6.713   2.528  -1.397
  648    HD2  PHE  79           HD2      PHE  79   7.447  -1.528  -2.570
  649    HE1  PHE  79           HE1      PHE  79   4.269   2.081  -1.311
  650    HE2  PHE  79           HE2      PHE  79   5.023  -1.987  -2.460
  651    HZ   PHE  79           HZ       PHE  79   3.441  -0.203  -1.861
  652    H    SER  80           H        SER  80  10.753  -1.571  -1.761
  653    HA   SER  80           HA       SER  80  13.096  -0.186  -2.544
  654   1HB   SER  80          2HB       SER  80  13.192   0.150  -0.057
  655   2HB   SER  80          1HB       SER  80  13.525  -1.579   0.087
  656    HG   SER  80           HG       SER  80  15.490  -1.212  -0.557
  657    H    ASN  81           H        ASN  81  14.224  -1.404  -3.905
  658    HA   ASN  81           HA       ASN  81  14.572  -4.246  -3.381
  659   1HB   ASN  81          2HB       ASN  81  12.961  -3.146  -5.668
  660   2HB   ASN  81          1HB       ASN  81  13.831  -4.676  -5.831
  661   1HD2  ASN  81          1HD2      ASN  81  11.463  -3.011  -3.709
  662   2HD2  ASN  81          2HD2      ASN  81  10.750  -4.427  -3.125
  663    H    GLU  82           H        GLU  82  16.071  -5.189  -5.092
  664    HA   GLU  82           HA       GLU  82  18.357  -3.544  -5.340
  665   1HB   GLU  82          2HB       GLU  82  19.111  -5.374  -6.941
  666   2HB   GLU  82          1HB       GLU  82  18.651  -5.925  -5.329
  667   1HG   GLU  82          2HG       GLU  82  16.611  -6.814  -6.073
  668   2HG   GLU  82          1HG       GLU  82  16.607  -5.829  -7.536
  669    H    SER  83           H        SER  83  15.562  -4.038  -7.365
  670    HA   SER  83           HA       SER  83  16.647  -1.992  -9.180
  671   1HB   SER  83          2HB       SER  83  15.227  -4.256 -10.462
  672   2HB   SER  83          1HB       SER  83  16.537  -3.253 -11.076
  673    HG   SER  83           HG       SER  83  17.403  -5.239 -10.623
  674    H    THR  84           H        THR  84  14.153  -2.692  -7.181
  675    HA   THR  84           HA       THR  84  12.238  -1.453  -9.062
  676    HB   THR  84           HB       THR  84  10.567  -2.825  -8.346
  677    HG1  THR  84           HG1      THR  84  10.205  -3.240  -6.236
  678   1HG2  THR  84          1HG2      THR  84  13.047  -4.322  -7.489
  679   2HG2  THR  84          2HG2      THR  84  12.112  -4.521  -8.970
  680   3HG2  THR  84          3HG2      THR  84  11.442  -5.049  -7.426
  681    H    ALA  85           H        ALA  85  14.197  -0.102  -7.451
  682    HA   ALA  85           HA       ALA  85  12.591   0.989  -5.254
  683   1HB   ALA  85          1HB       ALA  85  14.715   0.858  -4.385
  684   2HB   ALA  85          2HB       ALA  85  14.858   2.449  -5.133
  685   3HB   ALA  85          3HB       ALA  85  15.477   1.023  -5.967
  686    H    VAL  86           H        VAL  86  11.379   1.609  -7.548
  687    HA   VAL  86           HA       VAL  86  11.713   4.487  -7.658
  688    HB   VAL  86           HB       VAL  86  11.746   3.201 -10.354
  689   1HG1  VAL  86          1HG1      VAL  86  12.423   5.277 -11.015
  690   2HG1  VAL  86          2HG1      VAL  86  13.490   5.478  -9.626
  691   3HG1  VAL  86          3HG1      VAL  86  11.760   5.777  -9.458
  692   1HG2  VAL  86          1HG2      VAL  86  14.232   3.574  -8.652
  693   2HG2  VAL  86          2HG2      VAL  86  14.182   3.015 -10.323
  694   3HG2  VAL  86          3HG2      VAL  86  13.512   2.011  -9.037
  695    H    LYS  87           H        LYS  87  10.337   4.430 -10.381
  696    HA   LYS  87           HA       LYS  87   7.805   5.126  -9.771
  697   1HB   LYS  87          2HB       LYS  87   9.238   4.355 -12.119
  698   2HB   LYS  87          1HB       LYS  87   7.612   3.674 -12.187
  699   1HG   LYS  87          2HG       LYS  87   7.164   5.770 -13.040
  700   2HG   LYS  87          1HG       LYS  87   6.960   6.117 -11.323
  701   1HD   LYS  87          2HD       LYS  87   9.455   6.701 -11.298
  702   2HD   LYS  87          1HD       LYS  87   9.366   6.687 -13.060
  703   1HE   LYS  87          2HE       LYS  87   7.995   8.556 -13.145
  704   2HE   LYS  87          1HE       LYS  87   7.324   8.265 -11.540
  705   1HZ   LYS  87          1HZ       LYS  87  10.088   8.734 -11.462
  706   2HZ   LYS  87          2HZ       LYS  87   8.918   9.477 -10.662
  707   3HZ   LYS  87          3HZ       LYS  87   9.320   9.970 -12.130
  708    H    GLU  88           H        GLU  88   8.946   1.819 -10.136
  709    HA   GLU  88           HA       GLU  88   6.764   0.289 -10.484
  710   1HB   GLU  88          2HB       GLU  88   7.750  -1.041  -8.340
  711   2HB   GLU  88          1HB       GLU  88   8.544  -1.057  -9.909
  712   1HG   GLU  88          2HG       GLU  88   9.248   1.246  -8.219
  713   2HG   GLU  88          1HG       GLU  88   9.741  -0.319  -7.589
  714    H    ARG  89           H        ARG  89   7.625   1.009  -7.126
  715    HA   ARG  89           HA       ARG  89   4.828   0.799  -6.411
  716   1HB   ARG  89          2HB       ARG  89   7.117   1.565  -4.601
  717   2HB   ARG  89          1HB       ARG  89   5.568   0.843  -4.160
  718   1HG   ARG  89          2HG       ARG  89   6.450  -1.203  -4.470
  719   2HG   ARG  89          1HG       ARG  89   6.623  -0.815  -6.169
  720   1HD   ARG  89          2HD       ARG  89   8.653  -0.914  -4.053
  721   2HD   ARG  89          1HD       ARG  89   8.799  -1.212  -5.776
  722    HE   ARG  89           HE       ARG  89   8.505   1.472  -5.701
  723   1HH1  ARG  89          1HH2      ARG  89  10.485  -0.779  -3.984
  724   2HH1  ARG  89          2HH2      ARG  89  11.802   0.325  -3.798
  725   1HH2  ARG  89          1HH1      ARG  89  10.233   2.898  -5.525
  726   2HH2  ARG  89          2HH1      ARG  89  11.661   2.414  -4.677
  727    H    ASP  90           H        ASP  90   7.209   3.256  -7.050
  728    HA   ASP  90           HA       ASP  90   6.007   5.479  -5.877
  729   1HB   ASP  90          2HB       ASP  90   7.940   5.032  -7.904
  730   2HB   ASP  90          1HB       ASP  90   6.733   6.124  -8.586
  731    H    ALA  91           H        ALA  91   4.841   3.307  -8.327
  732    HA   ALA  91           HA       ALA  91   2.689   5.117  -9.105
  733   1HB   ALA  91          1HB       ALA  91   3.123   2.197  -9.828
  734   2HB   ALA  91          2HB       ALA  91   3.803   3.523 -10.771
  735   3HB   ALA  91          3HB       ALA  91   2.053   3.347 -10.631
  736    H    VAL  92           H        VAL  92   3.418   2.011  -7.507
  737    HA   VAL  92           HA       VAL  92   0.964   1.199  -6.543
  738    HB   VAL  92           HB       VAL  92   3.622   1.383  -5.126
  739   1HG1  VAL  92          1HG1      VAL  92   2.552   1.430  -3.127
  740   2HG1  VAL  92          2HG1      VAL  92   2.073  -0.228  -3.497
  741   3HG1  VAL  92          3HG1      VAL  92   0.984   1.108  -3.866
  742   1HG2  VAL  92          1HG2      VAL  92   3.156  -1.142  -5.047
  743   2HG2  VAL  92          2HG2      VAL  92   3.480  -0.446  -6.637
  744   3HG2  VAL  92          3HG2      VAL  92   1.824  -0.814  -6.156
  745    H    LYS  93           H        LYS  93   2.953   3.777  -5.083
  746    HA   LYS  93           HA       LYS  93   0.991   4.698  -3.258
  747   1HB   LYS  93          2HB       LYS  93   2.969   5.741  -2.744
  748   2HB   LYS  93          1HB       LYS  93   3.534   5.692  -4.412
  749   1HG   LYS  93          2HG       LYS  93   2.176   7.605  -5.002
  750   2HG   LYS  93          1HG       LYS  93   1.385   7.590  -3.424
  751   1HD   LYS  93          2HD       LYS  93   3.388   8.247  -2.316
  752   2HD   LYS  93          1HD       LYS  93   4.362   7.958  -3.759
  753   1HE   LYS  93          2HE       LYS  93   4.053  10.321  -3.668
  754   2HE   LYS  93          1HE       LYS  93   2.939   9.745  -4.908
  755   1HZ   LYS  93          1HZ       LYS  93   1.387   9.605  -2.864
  756   2HZ   LYS  93          2HZ       LYS  93   1.570  10.988  -3.647
  757   3HZ   LYS  93          3HZ       LYS  93   2.353  10.738  -2.274
  758    H    ASP  94           H        ASP  94   2.011   5.879  -6.454
  759    HA   ASP  94           HA       ASP  94   0.237   7.831  -7.036
  760   1HB   ASP  94          2HB       ASP  94   2.004   6.765  -8.539
  761   2HB   ASP  94          1HB       ASP  94   0.761   5.596  -8.989
  762    H    LEU  95           H        LEU  95  -0.613   4.452  -6.552
  763    HA   LEU  95           HA       LEU  95  -3.253   4.892  -7.730
  764   1HB   LEU  95          2HB       LEU  95  -2.545   2.462  -6.133
  765   2HB   LEU  95          1HB       LEU  95  -3.545   2.597  -7.578
  766    HG   LEU  95           HG       LEU  95  -0.530   2.654  -7.393
  767   1HD1  LEU  95          1HD1      LEU  95  -2.359   0.624  -7.818
  768   2HD1  LEU  95          2HD1      LEU  95  -0.659   0.580  -8.288
  769   3HD1  LEU  95          3HD1      LEU  95  -1.886   1.076  -9.456
  770   1HD2  LEU  95          1HD2      LEU  95  -2.251   4.097  -9.216
  771   2HD2  LEU  95          2HD2      LEU  95  -1.358   2.854 -10.092
  772   3HD2  LEU  95          3HD2      LEU  95  -0.489   4.068  -9.153
  773    H    LEU  96           H        LEU  96  -1.679   4.292  -4.607
  774    HA   LEU  96           HA       LEU  96  -3.750   4.097  -2.867
  775   1HB   LEU  96          2HB       LEU  96  -1.320   5.899  -2.619
  776   2HB   LEU  96          1HB       LEU  96  -2.353   5.438  -1.275
  777    HG   LEU  96           HG       LEU  96  -0.398   3.778  -2.826
  778   1HD1  LEU  96          1HD1      LEU  96  -1.147   4.293   0.035
  779   2HD1  LEU  96          2HD1      LEU  96   0.438   4.371  -0.735
  780   3HD1  LEU  96          3HD1      LEU  96  -0.295   2.806  -0.384
  781   1HD2  LEU  96          1HD2      LEU  96  -3.036   2.847  -1.735
  782   2HD2  LEU  96          2HD2      LEU  96  -1.637   1.776  -1.658
  783   3HD2  LEU  96          3HD2      LEU  96  -2.215   2.364  -3.218
  784    H    GLN  97           H        GLN  97  -2.411   7.256  -3.895
  785    HA   GLN  97           HA       GLN  97  -4.654   8.677  -2.769
  786   1HB   GLN  97          2HB       GLN  97  -3.803  10.627  -3.849
  787   2HB   GLN  97          1HB       GLN  97  -2.444   9.754  -3.153
  788   1HG   GLN  97          2HG       GLN  97  -3.006   8.872  -5.863
  789   2HG   GLN  97          1HG       GLN  97  -2.716  10.614  -5.808
  790   1HE2  GLN  97          1HE2      GLN  97  -1.285   7.468  -5.231
  791   2HE2  GLN  97          2HE2      GLN  97   0.293   8.019  -4.974
  792    H    GLN  98           H        GLN  98  -4.568   6.728  -5.374
  793    HA   GLN  98           HA       GLN  98  -6.386   8.324  -7.017
  794   1HB   GLN  98          2HB       GLN  98  -4.424   6.686  -7.802
  795   2HB   GLN  98          1HB       GLN  98  -5.711   5.487  -7.659
  796   1HG   GLN  98          2HG       GLN  98  -6.813   7.779  -8.947
  797   2HG   GLN  98          1HG       GLN  98  -5.294   7.391  -9.757
  798   1HE2  GLN  98          1HE2      GLN  98  -5.058   4.841 -10.125
  799   2HE2  GLN  98          2HE2      GLN  98  -6.451   4.071 -10.715
  800    H    LEU  99           H        LEU  99  -6.314   5.639  -4.763
  801    HA   LEU  99           HA       LEU  99  -9.119   4.985  -5.339
  802   1HB   LEU  99          2HB       LEU  99  -7.641   3.773  -3.046
  803   2HB   LEU  99          1HB       LEU  99  -8.778   3.021  -4.162
  804    HG   LEU  99           HG       LEU  99  -6.691   3.736  -5.828
  805   1HD1  LEU  99          1HD1      LEU  99  -5.534   2.643  -3.257
  806   2HD1  LEU  99          2HD1      LEU  99  -5.390   4.326  -3.759
  807   3HD1  LEU  99          3HD1      LEU  99  -4.647   3.050  -4.724
  808   1HD2  LEU  99          1HD2      LEU  99  -7.928   1.373  -4.809
  809   2HD2  LEU  99          2HD2      LEU  99  -6.180   1.127  -4.785
  810   3HD2  LEU  99          3HD2      LEU  99  -6.991   1.553  -6.294
  811    H    LEU 100           H        LEU 100  -7.158   6.705  -3.031
  812    HA   LEU 100           HA       LEU 100  -8.569   6.781  -0.743
  813   1HB   LEU 100          2HB       LEU 100  -6.734   8.524  -2.053
  814   2HB   LEU 100          1HB       LEU 100  -8.043   9.514  -1.405
  815    HG   LEU 100           HG       LEU 100  -6.748   7.369   0.271
  816   1HD1  LEU 100          1HD1      LEU 100  -5.413   9.631  -0.779
  817   2HD1  LEU 100          2HD1      LEU 100  -4.863   8.574   0.521
  818   3HD1  LEU 100          3HD1      LEU 100  -5.797  10.021   0.897
  819   1HD2  LEU 100          1HD2      LEU 100  -8.789   8.234   1.185
  820   2HD2  LEU 100          2HD2      LEU 100  -8.341   9.893   0.786
  821   3HD2  LEU 100          3HD2      LEU 100  -7.485   9.032   2.065
  822    HA   PRO 101           HA       PRO 101 -11.703   9.734  -2.889
  823   1HB   PRO 101          2HB       PRO 101 -11.402   8.699  -5.658
  824   2HB   PRO 101          1HB       PRO 101 -11.663  10.364  -5.114
  825   1HG   PRO 101          2HG       PRO 101  -9.256   9.406  -6.009
  826   2HG   PRO 101          1HG       PRO 101  -9.400  10.741  -4.852
  827   1HD   PRO 101          2HD       PRO 101  -8.454   8.011  -4.402
  828   2HD   PRO 101          1HD       PRO 101  -8.305   9.433  -3.352
  829    H    LYS 102           H        LYS 102 -11.258   6.469  -2.933
  830    HA   LYS 102           HA       LYS 102 -13.796   5.645  -4.088
  831   1HB   LYS 102          2HB       LYS 102 -11.883   4.231  -4.432
  832   2HB   LYS 102          1HB       LYS 102 -11.492   4.278  -2.712
  833   1HG   LYS 102          2HG       LYS 102 -12.919   2.634  -2.202
  834   2HG   LYS 102          1HG       LYS 102 -14.190   3.275  -3.252
  835   1HD   LYS 102          2HD       LYS 102 -11.733   1.834  -4.284
  836   2HD   LYS 102          1HD       LYS 102 -13.269   1.025  -3.966
  837   1HE   LYS 102          2HE       LYS 102 -14.399   2.271  -5.642
  838   2HE   LYS 102          1HE       LYS 102 -13.098   3.456  -5.751
  839   1HZ   LYS 102          1HZ       LYS 102 -13.159   1.741  -7.520
  840   2HZ   LYS 102          2HZ       LYS 102 -12.716   0.654  -6.433
  841   3HZ   LYS 102          3HZ       LYS 102 -11.749   1.882  -6.776
  842    H    PHE 103           H        PHE 103 -12.238   5.538  -0.901
  843    HA   PHE 103           HA       PHE 103 -14.846   4.868   0.275
  844   1HB   PHE 103          2HB       PHE 103 -13.194   4.416   2.329
  845   2HB   PHE 103          1HB       PHE 103 -13.385   3.224   1.042
  846    HD1  PHE 103           HD1      PHE 103 -11.767   3.115  -0.808
  847    HD2  PHE 103           HD2      PHE 103 -11.162   5.668   2.587
  848    HE1  PHE 103           HE1      PHE 103  -9.422   3.435  -1.480
  849    HE2  PHE 103           HE2      PHE 103  -8.793   5.985   1.930
  850    HZ   PHE 103           HZ       PHE 103  -7.922   4.879  -0.109
  851    H    LYS 104           H        LYS 104 -12.855   7.492  -0.224
  852    HA   LYS 104           HA       LYS 104 -14.315   9.017   1.769
  853   1HB   LYS 104          2HB       LYS 104 -11.746   8.033   2.410
  854   2HB   LYS 104          1HB       LYS 104 -11.537   9.744   2.034
  855   1HG   LYS 104          2HG       LYS 104 -12.086   9.733   4.336
  856   2HG   LYS 104          1HG       LYS 104 -13.607  10.127   3.536
  857   1HD   LYS 104          2HD       LYS 104 -14.497   7.990   3.883
  858   2HD   LYS 104          1HD       LYS 104 -12.907   7.258   4.101
  859   1HE   LYS 104          2HE       LYS 104 -13.521   7.368   6.313
  860   2HE   LYS 104          1HE       LYS 104 -12.848   8.991   6.155
  861   1HZ   LYS 104          1HZ       LYS 104 -14.977   9.171   7.088
  862   2HZ   LYS 104          2HZ       LYS 104 -15.657   8.240   5.978
  863   3HZ   LYS 104          3HZ       LYS 104 -15.117   9.693   5.581
  864    H    ARG 105           H        ARG 105 -15.104  10.466   0.303
  865    HA   ARG 105           HA       ARG 105 -13.159  12.172  -1.054
  866   1HB   ARG 105          2HB       ARG 105 -14.822  11.884  -3.136
  867   2HB   ARG 105          1HB       ARG 105 -13.406  10.854  -2.927
  868   1HG   ARG 105          2HG       ARG 105 -14.657   9.021  -2.309
  869   2HG   ARG 105          1HG       ARG 105 -15.924  10.002  -1.571
  870   1HD   ARG 105          2HD       ARG 105 -16.905  10.513  -3.668
  871   2HD   ARG 105          1HD       ARG 105 -15.472   9.995  -4.556
  872    HE   ARG 105           HE       ARG 105 -16.283   7.736  -3.244
  873   1HH1  ARG 105          1HH2      ARG 105 -17.740  10.086  -5.318
  874   2HH1  ARG 105          2HH2      ARG 105 -18.861   8.964  -6.013
  875   1HH2  ARG 105          1HH1      ARG 105 -17.741   6.268  -4.145
  876   2HH2  ARG 105          2HH1      ARG 105 -18.862   6.807  -5.351
  877    H    LYS 106           H        LYS 106 -16.617  11.729  -1.726
  878    HA   LYS 106           HA       LYS 106 -17.021  14.488  -0.770
  879   1HB   LYS 106          2HB       LYS 106 -17.813  13.231  -3.105
  880   2HB   LYS 106          1HB       LYS 106 -19.269  13.170  -2.111
  881   1HG   LYS 106          2HG       LYS 106 -19.342  15.252  -3.307
  882   2HG   LYS 106          1HG       LYS 106 -18.921  15.640  -1.639
  883   1HD   LYS 106          2HD       LYS 106 -16.455  15.161  -2.822
  884   2HD   LYS 106          1HD       LYS 106 -17.353  16.009  -4.081
  885   1HE   LYS 106          2HE       LYS 106 -17.797  17.869  -2.641
  886   2HE   LYS 106          1HE       LYS 106 -17.240  16.985  -1.220
  887   1HZ   LYS 106          1HZ       LYS 106 -15.739  18.499  -2.976
  888   2HZ   LYS 106          2HZ       LYS 106 -15.214  16.990  -3.065
  889   3HZ   LYS 106          3HZ       LYS 106 -15.244  17.744  -1.654
  890    H    ALA 107           H        ALA 107 -19.861  14.190  -0.424
  891    HA   ALA 107           HA       ALA 107 -19.820  12.693   2.117
  892   1HB   ALA 107          1HB       ALA 107 -22.010  14.046   2.445
  893   2HB   ALA 107          2HB       ALA 107 -21.448  15.005   1.075
  894   3HB   ALA 107          3HB       ALA 107 -20.479  14.914   2.546
  895    H    ASN 108           H        ASN 108 -21.686  11.347   2.623
  896    HA   ASN 108           HA       ASN 108 -23.289  10.578   0.265
  897   1HB   ASN 108          2HB       ASN 108 -21.555   8.853   2.004
  898   2HB   ASN 108          1HB       ASN 108 -23.031   8.177   1.316
  899   1HD2  ASN 108          1HD2      ASN 108 -20.477   7.215   0.484
  900   2HD2  ASN 108          2HD2      ASN 108 -20.223   7.676  -1.130
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -12.895 -14.109 -12.214
    2   2H    MET   1          2H        MET   1 -13.992 -12.963 -12.005
    3   3H    MET   1          3H        MET   1 -14.024 -13.869 -13.323
    4    HA   MET   1           HA       MET   1 -15.646 -14.933 -12.218
    5   1HB   MET   1          2HB       MET   1 -13.335 -16.294 -12.425
    6   2HB   MET   1          1HB       MET   1 -13.486 -16.280 -10.668
    7   1HG   MET   1          2HG       MET   1 -15.818 -17.158 -10.911
    8   2HG   MET   1          1HG       MET   1 -15.545 -17.294 -12.648
    9   1HE   MET   1          1HE       MET   1 -15.026 -20.619 -12.929
   10   2HE   MET   1          2HE       MET   1 -13.747 -19.644 -13.648
   11   3HE   MET   1          3HE       MET   1 -15.384 -19.000 -13.545
   12    H    ALA   2           H        ALA   2 -13.343 -13.272 -10.200
   13    HA   ALA   2           HA       ALA   2 -14.128 -13.800  -7.643
   14   1HB   ALA   2          1HB       ALA   2 -14.059 -10.972  -7.822
   15   2HB   ALA   2          2HB       ALA   2 -12.923 -11.583  -9.025
   16   3HB   ALA   2          3HB       ALA   2 -12.752 -12.051  -7.333
   17    H    THR   3           H        THR   3 -16.140 -14.004  -6.821
   18    HA   THR   3           HA       THR   3 -18.272 -12.298  -7.946
   19    HB   THR   3           HB       THR   3 -19.103 -14.451  -8.098
   20    HG1  THR   3           HG1      THR   3 -20.631 -13.585  -6.861
   21   1HG2  THR   3          1HG2      THR   3 -18.670 -16.068  -6.053
   22   2HG2  THR   3          2HG2      THR   3 -17.318 -14.978  -5.751
   23   3HG2  THR   3          3HG2      THR   3 -17.430 -15.839  -7.286
   24    H    SER   4           H        SER   4 -18.434 -13.830  -4.790
   25    HA   SER   4           HA       SER   4 -19.511 -11.756  -3.407
   26   1HB   SER   4          2HB       SER   4 -17.668 -12.848  -1.598
   27   2HB   SER   4          1HB       SER   4 -19.333 -13.366  -1.850
   28    HG   SER   4           HG       SER   4 -18.515 -15.131  -2.620
   29    H    SER   5           H        SER   5 -15.970 -12.371  -3.490
   30    HA   SER   5           HA       SER   5 -15.458  -9.755  -2.385
   31   1HB   SER   5          2HB       SER   5 -13.130 -10.858  -3.609
   32   2HB   SER   5          1HB       SER   5 -13.502 -10.729  -1.892
   33    HG   SER   5           HG       SER   5 -13.794 -12.868  -3.648
   34    H    GLU   6           H        GLU   6 -13.439  -8.675  -3.774
   35    HA   GLU   6           HA       GLU   6 -14.591  -8.201  -6.455
   36   1HB   GLU   6          2HB       GLU   6 -12.892  -6.261  -4.890
   37   2HB   GLU   6          1HB       GLU   6 -13.902  -5.936  -6.295
   38   1HG   GLU   6          2HG       GLU   6 -15.188  -5.137  -4.479
   39   2HG   GLU   6          1HG       GLU   6 -15.874  -6.724  -4.831
   40    H    GLU   7           H        GLU   7 -12.863  -7.558  -8.100
   41    HA   GLU   7           HA       GLU   7 -10.798  -9.435  -8.175
   42   1HB   GLU   7          2HB       GLU   7 -10.980  -6.795  -9.650
   43   2HB   GLU   7          1HB       GLU   7 -10.069  -8.223 -10.141
   44   1HG   GLU   7          2HG       GLU   7 -12.677  -9.158  -9.718
   45   2HG   GLU   7          1HG       GLU   7 -12.882  -7.616 -10.550
   46    H    VAL   8           H        VAL   8  -8.437  -8.848  -8.309
   47    HA   VAL   8           HA       VAL   8  -7.790  -7.085  -6.058
   48    HB   VAL   8           HB       VAL   8  -6.859  -9.318  -5.929
   49   1HG1  VAL   8          1HG1      VAL   8  -5.060  -9.452  -8.097
   50   2HG1  VAL   8          2HG1      VAL   8  -6.603  -8.947  -8.786
   51   3HG1  VAL   8          3HG1      VAL   8  -6.501 -10.437  -7.848
   52   1HG2  VAL   8          1HG2      VAL   8  -4.442  -8.806  -5.905
   53   2HG2  VAL   8          2HG2      VAL   8  -5.373  -7.477  -5.217
   54   3HG2  VAL   8          3HG2      VAL   8  -4.739  -7.353  -6.859
   55    H    LEU   9           H        LEU   9  -6.079  -5.543  -6.317
   56    HA   LEU   9           HA       LEU   9  -6.158  -4.383  -9.009
   57   1HB   LEU   9          2HB       LEU   9  -6.864  -2.882  -7.326
   58   2HB   LEU   9          1HB       LEU   9  -5.488  -3.265  -6.296
   59    HG   LEU   9           HG       LEU   9  -3.961  -2.149  -7.757
   60   1HD1  LEU   9          1HD1      LEU   9  -5.388  -1.027  -9.837
   61   2HD1  LEU   9          2HD1      LEU   9  -6.103  -2.634  -9.709
   62   3HD1  LEU   9          3HD1      LEU   9  -4.367  -2.459  -9.966
   63   1HD2  LEU   9          1HD2      LEU   9  -5.337  -0.668  -6.335
   64   2HD2  LEU   9          2HD2      LEU   9  -6.527  -0.532  -7.630
   65   3HD2  LEU   9          3HD2      LEU   9  -4.906   0.123  -7.848
   66    H    LEU  10           H        LEU  10  -3.486  -4.833  -6.523
   67    HA   LEU  10           HA       LEU  10  -1.788  -5.506  -8.788
   68   1HB   LEU  10          2HB       LEU  10  -1.778  -3.091  -8.973
   69   2HB   LEU  10          1HB       LEU  10  -1.376  -2.928  -7.264
   70    HG   LEU  10           HG       LEU  10   0.721  -4.266  -7.728
   71   1HD1  LEU  10          1HD1      LEU  10  -0.173  -5.250  -9.871
   72   2HD1  LEU  10          2HD1      LEU  10   1.435  -4.542 -10.026
   73   3HD1  LEU  10          3HD1      LEU  10   0.024  -3.664 -10.617
   74   1HD2  LEU  10          1HD2      LEU  10   1.921  -2.359  -8.690
   75   2HD2  LEU  10          2HD2      LEU  10   0.691  -1.776  -7.569
   76   3HD2  LEU  10          3HD2      LEU  10   0.410  -1.692  -9.308
   77    H    ILE  11           H        ILE  11   0.212  -6.387  -8.191
   78    HA   ILE  11           HA       ILE  11   0.547  -6.847  -5.290
   79    HB   ILE  11           HB       ILE  11   0.029  -8.973  -6.030
   80   1HG1  ILE  11          2HG1      ILE  11   2.494  -8.841  -5.241
   81   2HG1  ILE  11          1HG1      ILE  11   1.991 -10.293  -6.097
   82   1HG2  ILE  11          1HG2      ILE  11   0.625  -9.817  -8.305
   83   2HG2  ILE  11          2HG2      ILE  11   1.353  -8.247  -8.652
   84   3HG2  ILE  11          3HG2      ILE  11  -0.382  -8.369  -8.351
   85   1HD1  ILE  11          1HD1      ILE  11   4.041  -8.395  -6.817
   86   2HD1  ILE  11          2HD1      ILE  11   2.840  -8.492  -8.101
   87   3HD1  ILE  11          3HD1      ILE  11   3.662  -9.949  -7.554
   88    H    VAL  12           H        VAL  12   2.489  -6.214  -4.517
   89    HA   VAL  12           HA       VAL  12   4.666  -5.911  -6.481
   90    HB   VAL  12           HB       VAL  12   5.367  -3.863  -5.485
   91   1HG1  VAL  12          1HG1      VAL  12   3.719  -3.004  -6.787
   92   2HG1  VAL  12          2HG1      VAL  12   2.873  -2.731  -5.264
   93   3HG1  VAL  12          3HG1      VAL  12   2.532  -4.176  -6.216
   94   1HG2  VAL  12          1HG2      VAL  12   5.214  -3.852  -3.223
   95   2HG2  VAL  12          2HG2      VAL  12   3.776  -4.870  -3.217
   96   3HG2  VAL  12          3HG2      VAL  12   3.627  -3.136  -3.495
   97    H    LYS  13           H        LYS  13   6.506  -6.933  -5.829
   98    HA   LYS  13           HA       LYS  13   6.350  -8.468  -3.376
   99   1HB   LYS  13          2HB       LYS  13   7.777  -8.648  -5.832
  100   2HB   LYS  13          1HB       LYS  13   8.957  -8.600  -4.521
  101   1HG   LYS  13          2HG       LYS  13   6.583 -10.332  -4.089
  102   2HG   LYS  13          1HG       LYS  13   7.745 -10.880  -5.299
  103   1HD   LYS  13          2HD       LYS  13   9.570 -10.603  -3.629
  104   2HD   LYS  13          1HD       LYS  13   8.365 -10.156  -2.421
  105   1HE   LYS  13          2HE       LYS  13   7.266 -12.458  -3.279
  106   2HE   LYS  13          1HE       LYS  13   8.961 -12.821  -3.605
  107   1HZ   LYS  13          1HZ       LYS  13   9.359 -12.075  -1.294
  108   2HZ   LYS  13          2HZ       LYS  13   8.536 -13.441  -1.414
  109   3HZ   LYS  13          3HZ       LYS  13   7.776 -12.080  -1.053
  110    H    LYS  14           H        LYS  14   9.228  -6.791  -4.406
  111    HA   LYS  14           HA       LYS  14  10.214  -6.329  -1.921
  112   1HB   LYS  14          2HB       LYS  14  10.758  -5.374  -4.564
  113   2HB   LYS  14          1HB       LYS  14  10.903  -4.034  -3.424
  114   1HG   LYS  14          2HG       LYS  14  13.021  -5.392  -3.742
  115   2HG   LYS  14          1HG       LYS  14  12.474  -5.250  -2.069
  116   1HD   LYS  14          2HD       LYS  14  11.869  -7.461  -1.932
  117   2HD   LYS  14          1HD       LYS  14  11.423  -7.554  -3.636
  118   1HE   LYS  14          2HE       LYS  14  14.290  -7.291  -2.702
  119   2HE   LYS  14          1HE       LYS  14  13.515  -8.849  -2.991
  120   1HZ   LYS  14          1HZ       LYS  14  14.425  -6.934  -4.867
  121   2HZ   LYS  14          2HZ       LYS  14  12.955  -7.476  -5.191
  122   3HZ   LYS  14          3HZ       LYS  14  14.174  -8.504  -5.060
  123    H    VAL  15           H        VAL  15   9.380  -5.350  -0.237
  124    HA   VAL  15           HA       VAL  15   8.487  -2.608  -0.593
  125    HB   VAL  15           HB       VAL  15   6.568  -4.436   0.867
  126   1HG1  VAL  15          1HG1      VAL  15   6.418  -1.494   0.227
  127   2HG1  VAL  15          2HG1      VAL  15   6.842  -2.142   1.812
  128   3HG1  VAL  15          3HG1      VAL  15   5.242  -2.441   1.133
  129   1HG2  VAL  15          1HG2      VAL  15   6.836  -3.754  -1.884
  130   2HG2  VAL  15          2HG2      VAL  15   5.435  -2.925  -1.241
  131   3HG2  VAL  15          3HG2      VAL  15   5.562  -4.675  -1.114
  132    H    ARG  16           H        ARG  16   8.787  -1.351   1.169
  133    HA   ARG  16           HA       ARG  16  10.216  -2.651   3.406
  134   1HB   ARG  16          2HB       ARG  16  11.911  -1.521   2.204
  135   2HB   ARG  16          1HB       ARG  16  10.833  -0.237   1.701
  136   1HG   ARG  16          2HG       ARG  16  11.298   1.006   3.516
  137   2HG   ARG  16          1HG       ARG  16  11.051  -0.353   4.602
  138   1HD   ARG  16          2HD       ARG  16  13.569   0.561   3.249
  139   2HD   ARG  16          1HD       ARG  16  13.318   0.106   4.932
  140    HE   ARG  16           HE       ARG  16  12.886  -2.223   3.573
  141   1HH1  ARG  16          1HH2      ARG  16  15.353   0.198   3.689
  142   2HH1  ARG  16          2HH2      ARG  16  16.629  -0.901   3.289
  143   1HH2  ARG  16          1HH1      ARG  16  14.550  -3.659   3.036
  144   2HH2  ARG  16          2HH1      ARG  16  16.177  -3.078   2.923
  145    H    GLN  17           H        GLN  17   9.394  -2.118   5.338
  146    HA   GLN  17           HA       GLN  17   7.880   0.385   5.514
  147   1HB   GLN  17          2HB       GLN  17   6.026  -0.685   6.601
  148   2HB   GLN  17          1HB       GLN  17   6.334  -1.621   5.148
  149   1HG   GLN  17          2HG       GLN  17   7.564  -3.269   6.431
  150   2HG   GLN  17          1HG       GLN  17   7.385  -2.298   7.891
  151   1HE2  GLN  17          1HE2      GLN  17   5.688  -4.444   5.660
  152   2HE2  GLN  17          2HE2      GLN  17   4.276  -4.593   6.590
  153    H    LYS  18           H        LYS  18   8.465   1.427   7.347
  154    HA   LYS  18           HA       LYS  18  10.752   1.149   8.596
  155   1HB   LYS  18          2HB       LYS  18   8.305   2.423   9.311
  156   2HB   LYS  18          1HB       LYS  18   9.011   1.731  10.772
  157   1HG   LYS  18          2HG       LYS  18  10.993   2.971  10.558
  158   2HG   LYS  18          1HG       LYS  18  10.732   3.268   8.839
  159   1HD   LYS  18          2HD       LYS  18   9.106   4.915   9.237
  160   2HD   LYS  18          1HD       LYS  18   8.794   4.342  10.877
  161   1HE   LYS  18          2HE       LYS  18  10.592   5.459  11.758
  162   2HE   LYS  18          1HE       LYS  18  11.566   5.250  10.303
  163   1HZ   LYS  18          1HZ       LYS  18   9.517   7.234  10.817
  164   2HZ   LYS  18          2HZ       LYS  18   9.919   6.863   9.314
  165   3HZ   LYS  18          3HZ       LYS  18  11.018   7.462  10.310
  166    H    LYS  19           H        LYS  19   8.161  -1.150   9.174
  167    HA   LYS  19           HA       LYS  19   9.486  -2.193  11.529
  168   1HB   LYS  19          2HB       LYS  19   7.584  -3.442  11.833
  169   2HB   LYS  19          1HB       LYS  19   6.891  -2.267  10.727
  170   1HG   LYS  19          2HG       LYS  19   7.152  -3.800   8.836
  171   2HG   LYS  19          1HG       LYS  19   8.088  -4.918   9.810
  172   1HD   LYS  19          2HD       LYS  19   5.531  -5.333   9.325
  173   2HD   LYS  19          1HD       LYS  19   6.213  -5.715  10.911
  174   1HE   LYS  19          2HE       LYS  19   5.384  -3.651  11.850
  175   2HE   LYS  19          1HE       LYS  19   4.915  -3.054  10.260
  176   1HZ   LYS  19          1HZ       LYS  19   3.164  -4.467  10.200
  177   2HZ   LYS  19          2HZ       LYS  19   3.194  -4.168  11.772
  178   3HZ   LYS  19          3HZ       LYS  19   3.797  -5.538  11.207
  179    H    GLN  20           H        GLN  20   8.797  -3.412   8.272
  180    HA   GLN  20           HA       GLN  20  11.279  -4.960   8.259
  181   1HB   GLN  20          2HB       GLN  20   8.497  -6.095   8.120
  182   2HB   GLN  20          1HB       GLN  20   9.922  -6.986   7.583
  183   1HG   GLN  20          2HG       GLN  20   9.705  -5.755  10.315
  184   2HG   GLN  20          1HG       GLN  20   9.181  -7.405   9.990
  185   1HE2  GLN  20          1HE2      GLN  20  11.090  -8.505   8.419
  186   2HE2  GLN  20          2HE2      GLN  20  12.632  -8.401   9.121
  187    H    ASP  21           H        ASP  21  11.522  -6.122   6.119
  188    HA   ASP  21           HA       ASP  21  10.332  -4.444   3.996
  189   1HB   ASP  21          2HB       ASP  21  12.560  -6.367   3.416
  190   2HB   ASP  21          1HB       ASP  21  12.294  -4.753   2.749
  191    H    GLY  22           H        GLY  22   8.913  -5.512   2.793
  192   1HA   GLY  22          2HA       GLY  22   8.756  -8.385   2.623
  193   2HA   GLY  22          1HA       GLY  22   7.529  -7.674   3.644
  194    H    ALA  23           H        ALA  23   6.791  -8.977   1.212
  195    HA   ALA  23           HA       ALA  23   6.496  -6.923  -0.730
  196   1HB   ALA  23          1HB       ALA  23   5.020  -8.721  -1.840
  197   2HB   ALA  23          2HB       ALA  23   5.550  -9.764  -0.520
  198   3HB   ALA  23          3HB       ALA  23   6.735  -9.078  -1.633
  199    H    LEU  24           H        LEU  24   4.690  -6.266  -1.573
  200    HA   LEU  24           HA       LEU  24   2.379  -5.939   0.298
  201   1HB   LEU  24          2HB       LEU  24   3.916  -3.879  -1.049
  202   2HB   LEU  24          1HB       LEU  24   2.207  -3.709  -1.368
  203    HG   LEU  24           HG       LEU  24   3.565  -3.854   1.328
  204   1HD1  LEU  24          1HD1      LEU  24   3.594  -1.612   0.948
  205   2HD1  LEU  24          2HD1      LEU  24   1.856  -1.680   1.234
  206   3HD1  LEU  24          3HD1      LEU  24   2.482  -1.744  -0.413
  207   1HD2  LEU  24          1HD2      LEU  24   1.638  -4.949   1.918
  208   2HD2  LEU  24          2HD2      LEU  24   0.764  -4.393   0.491
  209   3HD2  LEU  24          3HD2      LEU  24   0.957  -3.323   1.879
  210    H    TYR  25           H        TYR  25   0.521  -6.727  -0.378
  211    HA   TYR  25           HA       TYR  25  -0.016  -7.056  -3.274
  212   1HB   TYR  25          2HB       TYR  25  -0.840  -8.522  -0.776
  213   2HB   TYR  25          1HB       TYR  25  -1.877  -8.569  -2.201
  214    HD1  TYR  25           HD1      TYR  25   1.133  -9.799  -0.653
  215    HD2  TYR  25           HD2      TYR  25  -0.945  -9.346  -4.369
  216    HE1  TYR  25           HE1      TYR  25   2.571 -11.550  -1.641
  217    HE2  TYR  25           HE2      TYR  25   0.486 -11.122  -5.381
  218    HH   TYR  25           HH       TYR  25   1.922 -13.252  -4.154
  219    H    LEU  26           H        LEU  26  -1.678  -5.530  -4.028
  220    HA   LEU  26           HA       LEU  26  -3.294  -4.444  -1.818
  221   1HB   LEU  26          2HB       LEU  26  -1.869  -2.814  -3.038
  222   2HB   LEU  26          1HB       LEU  26  -2.683  -3.258  -4.538
  223    HG   LEU  26           HG       LEU  26  -4.390  -2.471  -2.214
  224   1HD1  LEU  26          1HD1      LEU  26  -2.461  -0.715  -3.644
  225   2HD1  LEU  26          2HD1      LEU  26  -3.102  -0.578  -2.007
  226   3HD1  LEU  26          3HD1      LEU  26  -4.082  -0.072  -3.383
  227   1HD2  LEU  26          1HD2      LEU  26  -4.458  -2.147  -5.225
  228   2HD2  LEU  26          2HD2      LEU  26  -5.636  -1.386  -4.157
  229   3HD2  LEU  26          3HD2      LEU  26  -5.518  -3.144  -4.229
  230    H    MET  27           H        MET  27  -5.463  -4.689  -1.917
  231    HA   MET  27           HA       MET  27  -6.567  -5.988  -4.331
  232   1HB   MET  27          2HB       MET  27  -6.850  -7.408  -2.405
  233   2HB   MET  27          1HB       MET  27  -7.407  -6.058  -1.423
  234   1HG   MET  27          2HG       MET  27  -9.535  -6.249  -2.176
  235   2HG   MET  27          1HG       MET  27  -9.004  -6.420  -3.848
  236   1HE   MET  27          1HE       MET  27  -7.373  -8.210  -4.322
  237   2HE   MET  27          2HE       MET  27  -8.094  -9.808  -4.497
  238   3HE   MET  27          3HE       MET  27  -6.995  -9.488  -3.158
  239    H    ALA  28           H        ALA  28  -8.628  -5.194  -5.063
  240    HA   ALA  28           HA       ALA  28  -8.934  -2.568  -5.471
  241   1HB   ALA  28          1HB       ALA  28 -10.495  -4.773  -5.936
  242   2HB   ALA  28          2HB       ALA  28 -10.956  -3.118  -6.340
  243   3HB   ALA  28          3HB       ALA  28 -11.511  -3.844  -4.832
  244    H    GLU  29           H        GLU  29 -10.594  -4.148  -2.621
  245    HA   GLU  29           HA       GLU  29 -10.991  -1.433  -1.592
  246   1HB   GLU  29          2HB       GLU  29 -12.911  -2.948  -1.804
  247   2HB   GLU  29          1HB       GLU  29 -12.067  -4.130  -0.798
  248   1HG   GLU  29          2HG       GLU  29 -12.811  -3.119   1.070
  249   2HG   GLU  29          1HG       GLU  29 -12.105  -1.587   0.562
  250    H    ARG  30           H        ARG  30  -8.402  -3.252  -1.316
  251    HA   ARG  30           HA       ARG  30  -7.943  -2.366   1.378
  252   1HB   ARG  30          2HB       ARG  30  -8.102  -4.243   2.605
  253   2HB   ARG  30          1HB       ARG  30  -9.263  -4.705   1.367
  254   1HG   ARG  30          2HG       ARG  30  -6.908  -5.558   0.252
  255   2HG   ARG  30          1HG       ARG  30  -6.584  -5.793   1.969
  256   1HD   ARG  30          2HD       ARG  30  -7.649  -7.792   0.912
  257   2HD   ARG  30          1HD       ARG  30  -8.618  -7.112   2.216
  258    HE   ARG  30           HE       ARG  30  -9.485  -5.851  -0.087
  259   1HH1  ARG  30          1HH2      ARG  30  -9.125  -9.082   1.087
  260   2HH1  ARG  30          2HH2      ARG  30 -10.458  -9.700   0.171
  261   1HH2  ARG  30          1HH1      ARG  30 -11.226  -6.649  -1.284
  262   2HH2  ARG  30          2HH1      ARG  30 -11.645  -8.325  -1.170
  263    H    ILE  31           H        ILE  31  -5.845  -3.075   2.252
  264    HA   ILE  31           HA       ILE  31  -3.907  -3.437   0.041
  265    HB   ILE  31           HB       ILE  31  -4.037  -1.488   2.266
  266   1HG1  ILE  31          2HG1      ILE  31  -3.891  -1.053  -0.230
  267   2HG1  ILE  31          1HG1      ILE  31  -2.707  -0.185   0.748
  268   1HG2  ILE  31          1HG2      ILE  31  -1.373  -1.576   2.250
  269   2HG2  ILE  31          2HG2      ILE  31  -1.656  -3.290   1.949
  270   3HG2  ILE  31          3HG2      ILE  31  -2.300  -2.531   3.403
  271   1HD1  ILE  31          1HD1      ILE  31  -2.245  -2.087  -1.370
  272   2HD1  ILE  31          2HD1      ILE  31  -1.536  -2.687   0.126
  273   3HD1  ILE  31          3HD1      ILE  31  -1.072  -1.104  -0.496
  274    H    ALA  32           H        ALA  32  -2.215  -5.014   0.486
  275    HA   ALA  32           HA       ALA  32  -2.561  -6.458   3.024
  276   1HB   ALA  32          1HB       ALA  32  -3.912  -7.596   1.299
  277   2HB   ALA  32          2HB       ALA  32  -2.579  -8.603   1.863
  278   3HB   ALA  32          3HB       ALA  32  -2.463  -7.776   0.310
  279    H    TRP  33           H        TRP  33  -0.827  -7.505   3.813
  280    HA   TRP  33           HA       TRP  33   1.726  -6.920   2.424
  281   1HB   TRP  33          2HB       TRP  33   1.267  -5.823   4.670
  282   2HB   TRP  33          1HB       TRP  33   1.376  -7.419   5.366
  283    HD1  TRP  33           HD1      TRP  33   3.486  -6.021   2.540
  284    HE1  TRP  33           HE1      TRP  33   5.929  -5.992   3.311
  285    HE3  TRP  33           HE3      TRP  33   3.049  -7.752   7.332
  286    HZ2  TRP  33           HZ2      TRP  33   7.505  -6.585   5.467
  287    HZ3  TRP  33           HZ3      TRP  33   5.087  -8.060   8.701
  288    HH2  TRP  33           HH2      TRP  33   7.324  -7.506   7.767
  289    H    ALA  34           H        ALA  34   3.281  -8.495   2.326
  290    HA   ALA  34           HA       ALA  34   2.776 -11.093   3.478
  291   1HB   ALA  34          1HB       ALA  34   2.117 -10.522   0.747
  292   2HB   ALA  34          2HB       ALA  34   1.808 -11.966   1.713
  293   3HB   ALA  34          3HB       ALA  34   3.344 -11.786   0.863
  294    HA   PRO  35           HA       PRO  35   7.152 -10.888   2.963
  295   1HB   PRO  35          2HB       PRO  35   7.621 -11.441   5.718
  296   2HB   PRO  35          1HB       PRO  35   7.676  -9.859   4.930
  297   1HG   PRO  35          2HG       PRO  35   5.697 -10.857   6.782
  298   2HG   PRO  35          1HG       PRO  35   5.788  -9.257   6.036
  299   1HD   PRO  35          2HD       PRO  35   3.969 -11.405   5.412
  300   2HD   PRO  35          1HD       PRO  35   4.029  -9.780   4.708
  301    H    GLU  36           H        GLU  36   8.696 -12.593   4.785
  302    HA   GLU  36           HA       GLU  36   8.076 -15.152   3.537
  303   1HB   GLU  36          2HB       GLU  36  10.211 -15.861   4.359
  304   2HB   GLU  36          1HB       GLU  36  10.430 -14.201   3.801
  305   1HG   GLU  36          2HG       GLU  36  11.198 -13.679   5.851
  306   2HG   GLU  36          1HG       GLU  36   9.581 -13.995   6.481
  307    H    GLY  37           H        GLY  37   6.011 -14.444   5.215
  308   1HA   GLY  37          2HA       GLY  37   6.340 -15.339   7.894
  309   2HA   GLY  37          1HA       GLY  37   4.802 -15.133   7.055
  310    H    LYS  38           H        LYS  38   3.775 -17.068   7.486
  311    HA   LYS  38           HA       LYS  38   5.143 -19.467   6.456
  312   1HB   LYS  38          2HB       LYS  38   4.636 -18.945   9.174
  313   2HB   LYS  38          1HB       LYS  38   3.401 -20.101   8.676
  314   1HG   LYS  38          2HG       LYS  38   5.168 -21.552   7.713
  315   2HG   LYS  38          1HG       LYS  38   6.391 -20.411   8.276
  316   1HD   LYS  38          2HD       LYS  38   5.781 -20.794  10.585
  317   2HD   LYS  38          1HD       LYS  38   4.394 -21.772  10.104
  318   1HE   LYS  38          2HE       LYS  38   5.667 -23.617   9.817
  319   2HE   LYS  38          1HE       LYS  38   6.895 -22.722   8.922
  320   1HZ   LYS  38          1HZ       LYS  38   6.639 -22.553  11.815
  321   2HZ   LYS  38          2HZ       LYS  38   7.868 -22.063  10.915
  322   3HZ   LYS  38          3HZ       LYS  38   7.589 -23.628  11.105
  323    H    ASP  39           H        ASP  39   3.290 -17.974   4.991
  324    HA   ASP  39           HA       ASP  39   1.301 -19.998   4.531
  325   1HB   ASP  39          2HB       ASP  39  -0.515 -18.092   4.656
  326   2HB   ASP  39          1HB       ASP  39  -0.061 -18.954   6.127
  327    H    ARG  40           H        ARG  40   0.411 -16.788   3.625
  328    HA   ARG  40           HA       ARG  40   2.066 -16.782   1.254
  329   1HB   ARG  40          2HB       ARG  40  -0.742 -16.301   0.580
  330   2HB   ARG  40          1HB       ARG  40   0.464 -17.256  -0.280
  331   1HG   ARG  40          2HG       ARG  40   0.123 -19.137   1.252
  332   2HG   ARG  40          1HG       ARG  40  -1.025 -18.184   2.194
  333   1HD   ARG  40          2HD       ARG  40  -2.186 -19.705   0.619
  334   2HD   ARG  40          1HD       ARG  40  -2.511 -18.013   0.243
  335    HE   ARG  40           HE       ARG  40  -0.333 -18.627  -1.298
  336   1HH1  ARG  40          1HH2      ARG  40  -3.477 -19.957  -0.755
  337   2HH1  ARG  40          2HH2      ARG  40  -3.629 -20.582  -2.362
  338   1HH2  ARG  40          1HH1      ARG  40  -0.523 -19.439  -3.394
  339   2HH2  ARG  40          2HH1      ARG  40  -1.960 -20.290  -3.854
  340    H    PHE  41           H        PHE  41  -0.689 -15.411   2.865
  341    HA   PHE  41           HA       PHE  41   0.206 -12.711   2.133
  342   1HB   PHE  41          2HB       PHE  41  -2.406 -13.891   3.031
  343   2HB   PHE  41          1HB       PHE  41  -2.102 -12.161   3.220
  344    HD1  PHE  41           HD1      PHE  41  -2.688 -14.884   0.857
  345    HD2  PHE  41           HD2      PHE  41  -1.626 -10.740   1.261
  346    HE1  PHE  41           HE1      PHE  41  -3.132 -14.541  -1.556
  347    HE2  PHE  41           HE2      PHE  41  -2.072 -10.396  -1.161
  348    HZ   PHE  41           HZ       PHE  41  -2.821 -12.304  -2.563
  349    H    THR  42           H        THR  42  -0.593 -11.156   4.140
  350    HA   THR  42           HA       THR  42   0.095 -12.357   6.674
  351    HB   THR  42           HB       THR  42   2.147 -11.247   5.103
  352    HG1  THR  42           HG1      THR  42   2.312 -11.615   7.874
  353   1HG2  THR  42          1HG2      THR  42   1.164  -9.041   6.149
  354   2HG2  THR  42          2HG2      THR  42   2.900  -9.309   6.096
  355   3HG2  THR  42          3HG2      THR  42   2.010  -9.599   7.591
  356    H    ILE  43           H        ILE  43  -0.882  -9.532   4.805
  357    HA   ILE  43           HA       ILE  43  -2.345  -8.629   7.193
  358    HB   ILE  43           HB       ILE  43   0.054  -7.451   6.316
  359   1HG1  ILE  43          2HG1      ILE  43  -2.095  -6.800   8.286
  360   2HG1  ILE  43          1HG1      ILE  43  -0.424  -7.293   8.573
  361   1HG2  ILE  43          1HG2      ILE  43  -0.405  -5.348   5.419
  362   2HG2  ILE  43          2HG2      ILE  43  -2.056  -5.339   6.030
  363   3HG2  ILE  43          3HG2      ILE  43  -1.649  -6.294   4.617
  364   1HD1  ILE  43          1HD1      ILE  43  -0.097  -5.065   8.965
  365   2HD1  ILE  43          2HD1      ILE  43  -1.539  -4.612   8.057
  366   3HD1  ILE  43          3HD1      ILE  43  -0.036  -4.966   7.199
  367    H    SER  44           H        SER  44  -4.144  -7.365   6.718
  368    HA   SER  44           HA       SER  44  -4.690  -6.619   3.975
  369   1HB   SER  44          2HB       SER  44  -5.467  -8.780   3.609
  370   2HB   SER  44          1HB       SER  44  -5.987  -8.985   5.279
  371    HG   SER  44           HG       SER  44  -7.876  -8.435   4.551
  372    H    HIS  45           H        HIS  45  -5.405  -4.573   4.361
  373    HA   HIS  45           HA       HIS  45  -7.487  -4.284   6.444
  374   1HB   HIS  45          2HB       HIS  45  -6.346  -1.746   5.880
  375   2HB   HIS  45          1HB       HIS  45  -6.316  -2.629   7.400
  376    HD1  HIS  45           HD1      HIS  45  -3.980  -2.601   8.212
  377    HD2  HIS  45           HD2      HIS  45  -4.133  -3.213   4.097
  378    HE1  HIS  45           HE1      HIS  45  -1.587  -2.873   7.438
  379    H    MET  46           H        MET  46  -9.386  -3.877   5.505
  380    HA   MET  46           HA       MET  46  -9.689  -3.185   2.777
  381   1HB   MET  46          2HB       MET  46 -11.443  -3.569   5.088
  382   2HB   MET  46          1HB       MET  46 -12.014  -2.300   4.005
  383   1HG   MET  46          2HG       MET  46 -11.539  -4.001   2.105
  384   2HG   MET  46          1HG       MET  46 -11.505  -5.207   3.391
  385   1HE   MET  46          1HE       MET  46 -14.839  -6.348   2.718
  386   2HE   MET  46          2HE       MET  46 -13.091  -6.565   2.734
  387   3HE   MET  46          3HE       MET  46 -13.871  -5.859   1.321
  388    H    TYR  47           H        TYR  47  -9.440  -1.211   1.834
  389    HA   TYR  47           HA       TYR  47  -8.328   0.919   3.123
  390   1HB   TYR  47          2HB       TYR  47  -9.947   0.725   0.620
  391   2HB   TYR  47          1HB       TYR  47  -9.572   2.327   1.254
  392    HD1  TYR  47           HD1      TYR  47  -6.833   1.508   2.546
  393    HD2  TYR  47           HD2      TYR  47  -8.502   0.836  -1.378
  394    HE1  TYR  47           HE1      TYR  47  -4.575   1.402   1.590
  395    HE2  TYR  47           HE2      TYR  47  -6.234   0.734  -2.294
  396    HH   TYR  47           HH       TYR  47  -3.410   1.536  -0.400
  397    H    ALA  48           H        ALA  48 -11.907   0.462   2.756
  398    HA   ALA  48           HA       ALA  48 -12.516   2.834   4.255
  399   1HB   ALA  48          1HB       ALA  48 -14.076   0.314   3.634
  400   2HB   ALA  48          2HB       ALA  48 -14.268   1.912   2.909
  401   3HB   ALA  48          3HB       ALA  48 -14.755   1.637   4.583
  402    H    ASP  49           H        ASP  49 -11.685  -0.355   4.971
  403    HA   ASP  49           HA       ASP  49 -12.393  -0.492   7.765
  404   1HB   ASP  49          2HB       ASP  49 -10.665  -2.111   5.967
  405   2HB   ASP  49          1HB       ASP  49 -10.304  -2.190   7.685
  406    H    ILE  50           H        ILE  50 -10.296   1.445   6.173
  407    HA   ILE  50           HA       ILE  50  -8.868   2.084   8.636
  408    HB   ILE  50           HB       ILE  50  -6.744   2.332   7.305
  409   1HG1  ILE  50          2HG1      ILE  50  -8.331   0.786   5.236
  410   2HG1  ILE  50          1HG1      ILE  50  -7.834   2.471   5.081
  411   1HG2  ILE  50          1HG2      ILE  50  -7.497   0.251   8.669
  412   2HG2  ILE  50          2HG2      ILE  50  -6.147   0.066   7.549
  413   3HG2  ILE  50          3HG2      ILE  50  -7.755  -0.497   7.094
  414   1HD1  ILE  50          1HD1      ILE  50  -6.284   0.043   4.632
  415   2HD1  ILE  50          2HD1      ILE  50  -5.483   1.130   5.766
  416   3HD1  ILE  50          3HD1      ILE  50  -5.921   1.702   4.158
  417    H    LYS  51           H        LYS  51  -8.708   4.484   8.816
  418    HA   LYS  51           HA       LYS  51  -9.225   5.807   6.234
  419   1HB   LYS  51          2HB       LYS  51 -11.242   5.684   7.930
  420   2HB   LYS  51          1HB       LYS  51 -10.391   7.045   8.670
  421   1HG   LYS  51          2HG       LYS  51 -10.948   6.888   5.707
  422   2HG   LYS  51          1HG       LYS  51 -12.039   7.696   6.838
  423   1HD   LYS  51          2HD       LYS  51  -9.125   8.380   6.291
  424   2HD   LYS  51          1HD       LYS  51 -10.541   9.350   5.881
  425   1HE   LYS  51          2HE       LYS  51 -10.820   8.865   8.620
  426   2HE   LYS  51          1HE       LYS  51  -9.103   9.201   8.402
  427   1HZ   LYS  51          1HZ       LYS  51  -9.679  11.299   8.259
  428   2HZ   LYS  51          2HZ       LYS  51 -11.246  10.975   8.257
  429   3HZ   LYS  51          3HZ       LYS  51 -10.435  11.006   6.878
  430    H    CYS  52           H        CYS  52  -7.394   6.647   5.885
  431    HA   CYS  52           HA       CYS  52  -6.583   9.047   6.905
  432   1HB   CYS  52          2HB       CYS  52  -5.662   6.790   8.454
  433   2HB   CYS  52          1HB       CYS  52  -4.322   7.744   7.831
  434    HG   CYS  52           HG       CYS  52  -5.657   9.879   8.905
  435    H    GLN  53           H        GLN  53  -5.272   9.809   5.264
  436    HA   GLN  53           HA       GLN  53  -3.712   7.776   3.811
  437   1HB   GLN  53          2HB       GLN  53  -5.814   9.608   2.637
  438   2HB   GLN  53          1HB       GLN  53  -4.534   8.912   1.650
  439   1HG   GLN  53          2HG       GLN  53  -6.365   7.423   1.424
  440   2HG   GLN  53          1HG       GLN  53  -5.295   6.625   2.572
  441   1HE2  GLN  53          1HE2      GLN  53  -7.568   5.582   3.094
  442   2HE2  GLN  53          2HE2      GLN  53  -8.488   6.369   4.283
  443    H    LYS  54           H        LYS  54  -1.755   8.525   3.270
  444    HA   LYS  54           HA       LYS  54  -1.321  11.377   2.832
  445   1HB   LYS  54          2HB       LYS  54  -0.792  11.536   5.076
  446   2HB   LYS  54          1HB       LYS  54  -0.404   9.823   5.211
  447   1HG   LYS  54          2HG       LYS  54   1.787  10.144   4.674
  448   2HG   LYS  54          1HG       LYS  54   1.419  11.393   3.482
  449   1HD   LYS  54          2HD       LYS  54   2.203  12.862   5.017
  450   2HD   LYS  54          1HD       LYS  54   0.681  12.589   5.866
  451   1HE   LYS  54          2HE       LYS  54   1.843  10.579   6.966
  452   2HE   LYS  54          1HE       LYS  54   3.350  11.259   6.351
  453   1HZ   LYS  54          1HZ       LYS  54   2.501  13.353   7.467
  454   2HZ   LYS  54          2HZ       LYS  54   3.122  12.211   8.400
  455   3HZ   LYS  54          3HZ       LYS  54   1.535  12.389   8.303
  456    H    ILE  55           H        ILE  55  -0.286  11.281   0.873
  457    HA   ILE  55           HA       ILE  55   1.990   9.426   0.666
  458    HB   ILE  55           HB       ILE  55   1.071   9.298  -1.872
  459   1HG1  ILE  55          2HG1      ILE  55  -1.401   8.834  -1.711
  460   2HG1  ILE  55          1HG1      ILE  55  -1.369   9.512  -0.082
  461   1HG2  ILE  55          1HG2      ILE  55   1.187   7.592   0.418
  462   2HG2  ILE  55          2HG2      ILE  55   1.232   7.139  -1.286
  463   3HG2  ILE  55          3HG2      ILE  55  -0.314   7.254  -0.445
  464   1HD1  ILE  55          1HD1      ILE  55  -2.046  11.168  -1.852
  465   2HD1  ILE  55          2HD1      ILE  55  -0.435  11.003  -2.550
  466   3HD1  ILE  55          3HD1      ILE  55  -0.629  11.659  -0.924
  467    H    SER  56           H        SER  56   3.528  11.007   0.622
  468    HA   SER  56           HA       SER  56   3.230  13.044  -1.508
  469   1HB   SER  56          2HB       SER  56   4.131  13.252   1.311
  470   2HB   SER  56          1HB       SER  56   5.054  14.171   0.125
  471    HG   SER  56           HG       SER  56   3.388  15.471   0.702
  472    HA   PRO  57           HA       PRO  57   7.278  10.541  -1.468
  473   1HB   PRO  57          2HB       PRO  57   6.611   8.757  -3.629
  474   2HB   PRO  57          1HB       PRO  57   7.061   8.405  -1.961
  475   1HG   PRO  57          2HG       PRO  57   4.459   8.186  -3.134
  476   2HG   PRO  57          1HG       PRO  57   4.918   7.787  -1.482
  477   1HD   PRO  57          2HD       PRO  57   3.399  10.064  -2.394
  478   2HD   PRO  57          1HD       PRO  57   3.845   9.628  -0.735
  479    H    GLU  58           H        GLU  58   5.240  12.198  -3.598
  480    HA   GLU  58           HA       GLU  58   6.816  12.254  -5.926
  481   1HB   GLU  58          2HB       GLU  58   4.521  13.562  -4.995
  482   2HB   GLU  58          1HB       GLU  58   5.698  14.855  -5.230
  483   1HG   GLU  58          2HG       GLU  58   6.171  13.614  -7.505
  484   2HG   GLU  58          1HG       GLU  58   4.560  12.943  -7.245
  485    H    GLY  59           H        GLY  59   7.377  13.419  -2.726
  486   1HA   GLY  59          2HA       GLY  59   9.898  14.598  -3.649
  487   2HA   GLY  59          1HA       GLY  59   8.843  15.577  -2.629
  488    H    LYS  60           H        LYS  60   8.967  12.100  -2.111
  489    HA   LYS  60           HA       LYS  60  10.105  12.677   0.530
  490   1HB   LYS  60          2HB       LYS  60   8.795  10.187  -0.620
  491   2HB   LYS  60          1HB       LYS  60   9.520  10.258   0.986
  492   1HG   LYS  60          2HG       LYS  60   7.074  11.679  -0.026
  493   2HG   LYS  60          1HG       LYS  60   7.276  10.738   1.444
  494   1HD   LYS  60          2HD       LYS  60   8.423  13.489   0.885
  495   2HD   LYS  60          1HD       LYS  60   7.151  13.092   2.040
  496   1HE   LYS  60          2HE       LYS  60   8.623  12.179   3.558
  497   2HE   LYS  60          1HE       LYS  60   9.742  11.636   2.307
  498   1HZ   LYS  60          1HZ       LYS  60   9.685  14.094   3.694
  499   2HZ   LYS  60          2HZ       LYS  60   9.796  14.297   2.110
  500   3HZ   LYS  60          3HZ       LYS  60  10.888  13.417   2.881
  501    H    ALA  61           H        ALA  61  10.691   9.474  -0.428
  502    HA   ALA  61           HA       ALA  61  13.523  10.169  -0.922
  503   1HB   ALA  61          1HB       ALA  61  12.828   8.943   1.270
  504   2HB   ALA  61          2HB       ALA  61  14.184   8.300   0.343
  505   3HB   ALA  61          3HB       ALA  61  12.595   7.543   0.224
  506    H    LYS  62           H        LYS  62  10.964   7.758  -1.565
  507    HA   LYS  62           HA       LYS  62  11.567   7.721  -4.312
  508   1HB   LYS  62          2HB       LYS  62  12.285   5.312  -4.458
  509   2HB   LYS  62          1HB       LYS  62  13.525   6.382  -3.844
  510   1HG   LYS  62          2HG       LYS  62  11.678   5.218  -1.836
  511   2HG   LYS  62          1HG       LYS  62  12.790   4.089  -2.604
  512   1HD   LYS  62          2HD       LYS  62  13.640   6.678  -1.278
  513   2HD   LYS  62          1HD       LYS  62  13.701   5.099  -0.502
  514   1HE   LYS  62          2HE       LYS  62  15.287   6.083  -2.872
  515   2HE   LYS  62          1HE       LYS  62  15.882   5.385  -1.365
  516   1HZ   LYS  62          1HZ       LYS  62  14.585   3.370  -2.152
  517   2HZ   LYS  62          2HZ       LYS  62  15.999   3.664  -2.840
  518   3HZ   LYS  62          3HZ       LYS  62  14.645   4.036  -3.607
  519    H    ILE  63           H        ILE  63   9.211   7.662  -2.329
  520    HA   ILE  63           HA       ILE  63   7.115   7.026  -3.025
  521    HB   ILE  63           HB       ILE  63   7.711   5.761  -4.953
  522   1HG1  ILE  63          2HG1      ILE  63   6.174   3.649  -3.752
  523   2HG1  ILE  63          1HG1      ILE  63   5.613   5.220  -3.145
  524   1HG2  ILE  63          1HG2      ILE  63   7.827   3.152  -3.777
  525   2HG2  ILE  63          2HG2      ILE  63   9.135   4.098  -3.081
  526   3HG2  ILE  63          3HG2      ILE  63   9.018   3.881  -4.846
  527   1HD1  ILE  63          1HD1      ILE  63   6.050   4.662  -6.090
  528   2HD1  ILE  63          2HD1      ILE  63   5.227   6.044  -5.369
  529   3HD1  ILE  63          3HD1      ILE  63   4.491   4.444  -5.294
  530    H    GLN  64           H        GLN  64   6.906   7.337  -0.820
  531    HA   GLN  64           HA       GLN  64   6.540   4.836   0.712
  532   1HB   GLN  64          2HB       GLN  64   7.238   5.948   2.708
  533   2HB   GLN  64          1HB       GLN  64   8.442   6.395   1.502
  534   1HG   GLN  64          2HG       GLN  64   7.316   8.525   1.108
  535   2HG   GLN  64          1HG       GLN  64   6.029   8.079   2.230
  536   1HE2  GLN  64          1HE2      GLN  64   9.420   7.263   2.862
  537   2HE2  GLN  64          2HE2      GLN  64   9.616   8.331   4.167
  538    H    LEU  65           H        LEU  65   4.434   4.634   1.557
  539    HA   LEU  65           HA       LEU  65   2.801   7.083   1.395
  540   1HB   LEU  65          2HB       LEU  65   0.868   5.685   0.681
  541   2HB   LEU  65          1HB       LEU  65   2.186   5.695  -0.480
  542    HG   LEU  65           HG       LEU  65   1.155   3.441  -0.107
  543   1HD1  LEU  65          1HD1      LEU  65   3.806   2.837   0.850
  544   2HD1  LEU  65          2HD1      LEU  65   3.862   4.160  -0.317
  545   3HD1  LEU  65          3HD1      LEU  65   3.123   2.621  -0.759
  546   1HD2  LEU  65          1HD2      LEU  65   2.612   3.309   2.514
  547   2HD2  LEU  65          2HD2      LEU  65   1.306   2.288   1.913
  548   3HD2  LEU  65          3HD2      LEU  65   0.962   3.928   2.461
  549    H    GLN  66           H        GLN  66   0.752   6.870   2.846
  550    HA   GLN  66           HA       GLN  66   1.170   5.046   5.104
  551   1HB   GLN  66          2HB       GLN  66   2.228   7.588   5.226
  552   2HB   GLN  66          1HB       GLN  66   0.663   7.782   6.017
  553   1HG   GLN  66          2HG       GLN  66   1.151   6.021   7.591
  554   2HG   GLN  66          1HG       GLN  66   2.604   5.559   6.702
  555   1HE2  GLN  66          1HE2      GLN  66   2.122   6.734   9.553
  556   2HE2  GLN  66          2HE2      GLN  66   3.229   8.019   9.635
  557    H    LEU  67           H        LEU  67  -0.687   4.466   6.068
  558    HA   LEU  67           HA       LEU  67  -3.170   6.000   5.536
  559   1HB   LEU  67          2HB       LEU  67  -2.488   3.581   4.277
  560   2HB   LEU  67          1HB       LEU  67  -3.564   3.107   5.589
  561    HG   LEU  67           HG       LEU  67  -4.304   5.425   3.824
  562   1HD1  LEU  67          1HD1      LEU  67  -4.151   3.971   2.058
  563   2HD1  LEU  67          2HD1      LEU  67  -5.686   3.382   2.699
  564   3HD1  LEU  67          3HD1      LEU  67  -4.185   2.547   3.098
  565   1HD2  LEU  67          1HD2      LEU  67  -6.284   3.434   4.729
  566   2HD2  LEU  67          2HD2      LEU  67  -6.342   5.192   4.822
  567   3HD2  LEU  67          3HD2      LEU  67  -5.457   4.272   6.038
  568    H    VAL  68           H        VAL  68  -4.736   5.712   7.241
  569    HA   VAL  68           HA       VAL  68  -3.643   4.172   9.512
  570    HB   VAL  68           HB       VAL  68  -5.166   6.706  10.041
  571   1HG1  VAL  68          1HG1      VAL  68  -3.775   6.427  12.171
  572   2HG1  VAL  68          2HG1      VAL  68  -3.414   4.810  11.580
  573   3HG1  VAL  68          3HG1      VAL  68  -5.083   5.272  11.929
  574   1HG2  VAL  68          1HG2      VAL  68  -3.288   7.950   9.787
  575   2HG2  VAL  68          2HG2      VAL  68  -2.676   6.600   8.828
  576   3HG2  VAL  68          3HG2      VAL  68  -2.305   6.700  10.551
  577    H    LEU  69           H        LEU  69  -5.157   3.510  11.064
  578    HA   LEU  69           HA       LEU  69  -7.585   2.593   9.750
  579   1HB   LEU  69          2HB       LEU  69  -6.424   1.840  12.438
  580   2HB   LEU  69          1HB       LEU  69  -7.554   0.898  11.490
  581    HG   LEU  69           HG       LEU  69  -4.647   0.923  11.397
  582   1HD1  LEU  69          1HD1      LEU  69  -5.354  -1.207  11.323
  583   2HD1  LEU  69          2HD1      LEU  69  -5.407  -0.926   9.581
  584   3HD1  LEU  69          3HD1      LEU  69  -6.880  -0.776  10.548
  585   1HD2  LEU  69          1HD2      LEU  69  -4.436   2.219   9.512
  586   2HD2  LEU  69          2HD2      LEU  69  -6.049   1.819   8.926
  587   3HD2  LEU  69          3HD2      LEU  69  -4.740   0.654   8.762
  588    H    HIS  70           H        HIS  70  -9.671   3.142  10.555
  589    HA   HIS  70           HA       HIS  70 -10.116   5.507  11.948
  590   1HB   HIS  70          2HB       HIS  70 -12.290   4.365  12.700
  591   2HB   HIS  70          1HB       HIS  70 -12.008   4.389  10.959
  592    HD1  HIS  70           HD1      HIS  70 -11.699   2.071  13.950
  593    HD2  HIS  70           HD2      HIS  70 -11.789   1.845   9.784
  594    HE1  HIS  70           HE1      HIS  70 -11.809  -0.390  13.365
  595    H    ALA  71           H        ALA  71  -9.302   2.362  12.919
  596    HA   ALA  71           HA       ALA  71  -9.530   2.671  15.768
  597   1HB   ALA  71          1HB       ALA  71  -9.353   0.458  14.436
  598   2HB   ALA  71          2HB       ALA  71  -8.425   0.574  15.931
  599   3HB   ALA  71          3HB       ALA  71  -7.621   0.785  14.376
  600    H    GLY  72           H        GLY  72  -6.848   1.817  16.442
  601   1HA   GLY  72          2HA       GLY  72  -5.438   4.372  16.000
  602   2HA   GLY  72          1HA       GLY  72  -5.257   3.359  17.437
  603    H    ASP  73           H        ASP  73  -5.165   2.795  13.994
  604    HA   ASP  73           HA       ASP  73  -2.459   1.660  14.358
  605   1HB   ASP  73          2HB       ASP  73  -4.896   0.320  13.277
  606   2HB   ASP  73          1HB       ASP  73  -3.339  -0.061  12.540
  607    H    THR  74           H        THR  74  -1.073   2.325  12.908
  608    HA   THR  74           HA       THR  74  -2.140   3.733  10.545
  609    HB   THR  74           HB       THR  74   0.727   3.936  11.379
  610    HG1  THR  74           HG1      THR  74   0.119   4.702  13.226
  611   1HG2  THR  74          1HG2      THR  74   0.513   5.265   9.546
  612   2HG2  THR  74          2HG2      THR  74  -0.175   6.421  10.688
  613   3HG2  THR  74          3HG2      THR  74  -1.237   5.393   9.726
  614    H    THR  75           H        THR  75  -0.934   3.378   8.515
  615    HA   THR  75           HA       THR  75   0.456   0.793   8.522
  616    HB   THR  75           HB       THR  75  -1.069   1.512   6.093
  617    HG1  THR  75           HG1      THR  75  -2.483   0.512   8.320
  618   1HG2  THR  75          1HG2      THR  75  -1.558  -0.882   6.122
  619   2HG2  THR  75          2HG2      THR  75  -0.926  -1.013   7.764
  620   3HG2  THR  75          3HG2      THR  75   0.160  -0.624   6.430
  621    H    ASN  76           H        ASN  76   2.537   1.459   8.025
  622    HA   ASN  76           HA       ASN  76   2.772   3.660   6.074
  623   1HB   ASN  76          2HB       ASN  76   4.796   2.577   8.063
  624   2HB   ASN  76          1HB       ASN  76   5.039   3.952   6.985
  625   1HD2  ASN  76          1HD2      ASN  76   5.393   5.127   9.153
  626   2HD2  ASN  76          2HD2      ASN  76   4.022   5.723   9.956
  627    H    PHE  77           H        PHE  77   3.637   3.066   4.093
  628    HA   PHE  77           HA       PHE  77   5.087   0.527   4.087
  629   1HB   PHE  77          2HB       PHE  77   2.457   0.951   3.006
  630   2HB   PHE  77          1HB       PHE  77   3.585   0.604   1.693
  631    HD1  PHE  77           HD1      PHE  77   5.572  -1.031   2.903
  632    HD2  PHE  77           HD2      PHE  77   1.328  -1.148   3.541
  633    HE1  PHE  77           HE1      PHE  77   5.742  -3.386   3.557
  634    HE2  PHE  77           HE2      PHE  77   1.498  -3.510   4.181
  635    HZ   PHE  77           HZ       PHE  77   3.726  -4.603   4.185
  636    H    HIS  78           H        HIS  78   6.620   0.374   2.496
  637    HA   HIS  78           HA       HIS  78   7.018   2.711   0.763
  638   1HB   HIS  78          2HB       HIS  78   8.141   3.254   2.912
  639   2HB   HIS  78          1HB       HIS  78   9.105   1.790   2.767
  640    HD1  HIS  78           HD1      HIS  78  11.282   2.073   1.646
  641    HD2  HIS  78           HD2      HIS  78   8.604   5.000   0.386
  642    HE1  HIS  78           HE1      HIS  78  12.471   3.506  -0.067
  643    H    PHE  79           H        PHE  79   8.788   2.453  -0.622
  644    HA   PHE  79           HA       PHE  79   9.475  -0.357  -1.277
  645   1HB   PHE  79          2HB       PHE  79   8.895   1.919  -3.168
  646   2HB   PHE  79          1HB       PHE  79   9.244   0.263  -3.599
  647    HD1  PHE  79           HD1      PHE  79   6.757   2.606  -2.252
  648    HD2  PHE  79           HD2      PHE  79   7.538  -1.527  -3.152
  649    HE1  PHE  79           HE1      PHE  79   4.335   2.107  -2.005
  650    HE2  PHE  79           HE2      PHE  79   5.127  -2.022  -2.893
  651    HZ   PHE  79           HZ       PHE  79   3.536  -0.228  -2.311
  652    H    SER  80           H        SER  80  11.863  -0.509  -1.915
  653    HA   SER  80           HA       SER  80  13.247   1.924  -2.413
  654   1HB   SER  80          2HB       SER  80  12.675   1.701   0.188
  655   2HB   SER  80          1HB       SER  80  14.127   0.704   0.151
  656    HG   SER  80           HG       SER  80  14.837   2.761   0.444
  657    H    ASN  81           H        ASN  81  14.906   1.225  -3.701
  658    HA   ASN  81           HA       ASN  81  16.350  -1.198  -2.940
  659   1HB   ASN  81          2HB       ASN  81  14.850  -0.864  -5.547
  660   2HB   ASN  81          1HB       ASN  81  16.083  -2.099  -5.276
  661   1HD2  ASN  81          1HD2      ASN  81  15.641  -3.671  -3.490
  662   2HD2  ASN  81          2HD2      ASN  81  14.039  -3.999  -3.057
  663    H    GLU  82           H        GLU  82  18.262  -1.477  -4.530
  664    HA   GLU  82           HA       GLU  82  19.823   0.810  -4.594
  665   1HB   GLU  82          2HB       GLU  82  20.040  -1.851  -5.531
  666   2HB   GLU  82          1HB       GLU  82  20.366  -0.817  -6.923
  667   1HG   GLU  82          2HG       GLU  82  21.686  -0.482  -4.215
  668   2HG   GLU  82          1HG       GLU  82  22.417  -1.338  -5.573
  669    H    SER  83           H        SER  83  17.739  -0.533  -7.158
  670    HA   SER  83           HA       SER  83  17.307   2.183  -8.130
  671   1HB   SER  83          2HB       SER  83  18.188   0.065 -10.074
  672   2HB   SER  83          1HB       SER  83  18.062   1.802 -10.328
  673    HG   SER  83           HG       SER  83  20.101   1.788  -9.802
  674    H    THR  84           H        THR  84  15.799  -0.410  -7.034
  675    HA   THR  84           HA       THR  84  13.943  -0.621  -9.320
  676    HB   THR  84           HB       THR  84  13.349  -2.711  -8.544
  677    HG1  THR  84           HG1      THR  84  13.523  -3.230  -6.291
  678   1HG2  THR  84          1HG2      THR  84  16.060  -2.200  -8.495
  679   2HG2  THR  84          2HG2      THR  84  15.326  -3.801  -8.408
  680   3HG2  THR  84          3HG2      THR  84  15.783  -2.959  -6.927
  681    H    ALA  85           H        ALA  85  14.335   1.276  -6.643
  682    HA   ALA  85           HA       ALA  85  11.511   1.253  -5.874
  683   1HB   ALA  85          1HB       ALA  85  13.126   1.421  -4.077
  684   2HB   ALA  85          2HB       ALA  85  12.259   2.951  -4.206
  685   3HB   ALA  85          3HB       ALA  85  13.900   2.806  -4.843
  686    H    VAL  86           H        VAL  86  10.961   1.952  -8.048
  687    HA   VAL  86           HA       VAL  86  10.783   4.819  -8.147
  688    HB   VAL  86           HB       VAL  86  11.649   4.895 -10.539
  689   1HG1  VAL  86          1HG1      VAL  86  13.804   5.372  -9.802
  690   2HG1  VAL  86          2HG1      VAL  86  13.848   3.987  -8.710
  691   3HG1  VAL  86          3HG1      VAL  86  12.913   5.420  -8.280
  692   1HG2  VAL  86          1HG2      VAL  86  12.734   3.075 -11.477
  693   2HG2  VAL  86          2HG2      VAL  86  11.535   2.225 -10.502
  694   3HG2  VAL  86          3HG2      VAL  86  13.186   2.406  -9.909
  695    H    LYS  87           H        LYS  87  10.369   3.765 -11.271
  696    HA   LYS  87           HA       LYS  87   7.759   4.259 -11.615
  697   1HB   LYS  87          2HB       LYS  87   9.707   3.079 -13.133
  698   2HB   LYS  87          1HB       LYS  87   8.549   1.761 -12.953
  699   1HG   LYS  87          2HG       LYS  87   6.915   2.850 -14.141
  700   2HG   LYS  87          1HG       LYS  87   7.425   4.443 -13.582
  701   1HD   LYS  87          2HD       LYS  87   9.233   2.879 -15.397
  702   2HD   LYS  87          1HD       LYS  87   7.855   3.740 -16.084
  703   1HE   LYS  87          2HE       LYS  87   9.941   5.015 -14.291
  704   2HE   LYS  87          1HE       LYS  87   9.949   5.113 -16.052
  705   1HZ   LYS  87          1HZ       LYS  87   8.817   6.973 -15.417
  706   2HZ   LYS  87          2HZ       LYS  87   8.055   6.272 -14.198
  707   3HZ   LYS  87          3HZ       LYS  87   7.602   5.970 -15.702
  708    H    GLU  88           H        GLU  88   8.798   0.880 -11.114
  709    HA   GLU  88           HA       GLU  88   6.443  -0.398 -10.818
  710   1HB   GLU  88          2HB       GLU  88   7.639  -1.567  -8.732
  711   2HB   GLU  88          1HB       GLU  88   8.202  -1.832 -10.377
  712   1HG   GLU  88          2HG       GLU  88   9.396   0.566  -9.236
  713   2HG   GLU  88          1HG       GLU  88   9.726  -0.855  -8.247
  714    H    ARG  89           H        ARG  89   8.008   0.712  -7.861
  715    HA   ARG  89           HA       ARG  89   5.738   0.713  -6.251
  716   1HB   ARG  89          2HB       ARG  89   7.594   2.981  -5.813
  717   2HB   ARG  89          1HB       ARG  89   7.030   1.761  -4.681
  718   1HG   ARG  89          2HG       ARG  89   9.214   1.440  -6.761
  719   2HG   ARG  89          1HG       ARG  89   9.415   1.455  -5.017
  720   1HD   ARG  89          2HD       ARG  89   8.153  -0.618  -4.800
  721   2HD   ARG  89          1HD       ARG  89   7.781  -0.615  -6.516
  722    HE   ARG  89           HE       ARG  89  10.512  -0.557  -6.438
  723   1HH1  ARG  89          1HH2      ARG  89   8.001  -2.486  -5.050
  724   2HH1  ARG  89          2HH2      ARG  89   8.951  -3.933  -5.028
  725   1HH2  ARG  89          1HH1      ARG  89  11.755  -2.443  -6.412
  726   2HH2  ARG  89          2HH1      ARG  89  11.070  -3.910  -5.795
  727    H    ASP  90           H        ASP  90   7.007   3.101  -8.425
  728    HA   ASP  90           HA       ASP  90   5.259   5.250  -7.857
  729   1HB   ASP  90          2HB       ASP  90   7.217   4.643  -9.844
  730   2HB   ASP  90          1HB       ASP  90   5.752   5.161 -10.675
  731    H    ALA  91           H        ALA  91   4.688   2.185  -9.275
  732    HA   ALA  91           HA       ALA  91   2.230   3.062 -10.607
  733   1HB   ALA  91          1HB       ALA  91   3.387   0.279 -10.238
  734   2HB   ALA  91          2HB       ALA  91   3.660   1.296 -11.653
  735   3HB   ALA  91          3HB       ALA  91   2.036   0.716 -11.284
  736    H    VAL  92           H        VAL  92   3.441   1.235  -7.852
  737    HA   VAL  92           HA       VAL  92   0.980   0.327  -6.832
  738    HB   VAL  92           HB       VAL  92   3.360   1.335  -5.237
  739   1HG1  VAL  92          1HG1      VAL  92   2.238  -0.881  -3.997
  740   2HG1  VAL  92          2HG1      VAL  92   0.834  -0.001  -4.600
  741   3HG1  VAL  92          3HG1      VAL  92   1.980   0.800  -3.525
  742   1HG2  VAL  92          1HG2      VAL  92   4.233  -0.263  -6.784
  743   2HG2  VAL  92          2HG2      VAL  92   2.820  -1.304  -6.614
  744   3HG2  VAL  92          3HG2      VAL  92   3.972  -1.154  -5.286
  745    H    LYS  93           H        LYS  93   2.828   3.179  -5.676
  746    HA   LYS  93           HA       LYS  93   0.706   4.408  -4.356
  747   1HB   LYS  93          2HB       LYS  93   2.935   5.305  -4.106
  748   2HB   LYS  93          1HB       LYS  93   3.045   5.646  -5.835
  749   1HG   LYS  93          2HG       LYS  93   1.050   7.174  -5.579
  750   2HG   LYS  93          1HG       LYS  93   1.174   6.947  -3.835
  751   1HD   LYS  93          2HD       LYS  93   2.765   8.524  -3.730
  752   2HD   LYS  93          1HD       LYS  93   3.770   7.602  -4.850
  753   1HE   LYS  93          2HE       LYS  93   1.740   8.743  -6.431
  754   2HE   LYS  93          1HE       LYS  93   2.255  10.022  -5.332
  755   1HZ   LYS  93          1HZ       LYS  93   3.532   9.513  -7.516
  756   2HZ   LYS  93          2HZ       LYS  93   4.298   8.452  -6.596
  757   3HZ   LYS  93          3HZ       LYS  93   4.309  10.003  -6.205
  758    H    ASP  94           H        ASP  94   1.602   4.498  -7.829
  759    HA   ASP  94           HA       ASP  94  -0.135   6.498  -8.675
  760   1HB   ASP  94          2HB       ASP  94   1.383   5.442 -10.240
  761   2HB   ASP  94          1HB       ASP  94   0.583   3.886 -10.023
  762    H    LEU  95           H        LEU  95  -0.867   3.240  -7.583
  763    HA   LEU  95           HA       LEU  95  -3.655   3.527  -8.480
  764   1HB   LEU  95          2HB       LEU  95  -1.927   1.325  -7.486
  765   2HB   LEU  95          1HB       LEU  95  -3.636   1.229  -7.062
  766    HG   LEU  95           HG       LEU  95  -3.226   0.092  -9.200
  767   1HD1  LEU  95          1HD1      LEU  95  -5.178   1.980  -8.681
  768   2HD1  LEU  95          2HD1      LEU  95  -5.186   0.864 -10.047
  769   3HD1  LEU  95          3HD1      LEU  95  -4.552   2.498 -10.246
  770   1HD2  LEU  95          1HD2      LEU  95  -1.669   0.922 -10.602
  771   2HD2  LEU  95          2HD2      LEU  95  -1.537   2.383  -9.626
  772   3HD2  LEU  95          3HD2      LEU  95  -2.726   2.295 -10.924
  773    H    LEU  96           H        LEU  96  -1.845   3.085  -5.455
  774    HA   LEU  96           HA       LEU  96  -3.786   3.095  -3.565
  775   1HB   LEU  96          2HB       LEU  96  -1.377   4.893  -3.345
  776   2HB   LEU  96          1HB       LEU  96  -2.204   4.021  -2.071
  777    HG   LEU  96           HG       LEU  96  -0.398   2.946  -4.216
  778   1HD1  LEU  96          1HD1      LEU  96   0.992   2.856  -2.450
  779   2HD1  LEU  96          2HD1      LEU  96  -0.076   1.651  -1.729
  780   3HD1  LEU  96          3HD1      LEU  96  -0.298   3.361  -1.359
  781   1HD2  LEU  96          1HD2      LEU  96  -2.611   1.526  -2.741
  782   2HD2  LEU  96          2HD2      LEU  96  -1.161   0.650  -3.231
  783   3HD2  LEU  96          3HD2      LEU  96  -2.179   1.421  -4.448
  784    H    GLN  97           H        GLN  97  -2.202   6.199  -4.407
  785    HA   GLN  97           HA       GLN  97  -4.136   7.802  -3.151
  786   1HB   GLN  97          2HB       GLN  97  -3.297   9.575  -4.826
  787   2HB   GLN  97          1HB       GLN  97  -2.136   8.908  -3.682
  788   1HG   GLN  97          2HG       GLN  97  -1.471   9.085  -6.208
  789   2HG   GLN  97          1HG       GLN  97  -1.090   7.599  -5.337
  790   1HE2  GLN  97          1HE2      GLN  97  -2.131   5.687  -5.988
  791   2HE2  GLN  97          2HE2      GLN  97  -3.265   5.604  -7.209
  792    H    GLN  98           H        GLN  98  -4.686   5.870  -5.808
  793    HA   GLN  98           HA       GLN  98  -6.580   7.734  -7.011
  794   1HB   GLN  98          2HB       GLN  98  -4.862   6.015  -8.212
  795   2HB   GLN  98          1HB       GLN  98  -6.291   4.988  -8.091
  796   1HG   GLN  98          2HG       GLN  98  -6.931   7.708  -8.960
  797   2HG   GLN  98          1HG       GLN  98  -5.833   6.881 -10.067
  798   1HE2  GLN  98          1HE2      GLN  98  -6.704   5.217 -11.380
  799   2HE2  GLN  98          2HE2      GLN  98  -8.314   4.686 -11.282
  800    H    LEU  99           H        LEU  99  -6.345   4.761  -5.154
  801    HA   LEU  99           HA       LEU  99  -9.235   4.312  -5.359
  802   1HB   LEU  99          2HB       LEU  99  -7.695   2.826  -3.320
  803   2HB   LEU  99          1HB       LEU  99  -8.845   2.223  -4.506
  804    HG   LEU  99           HG       LEU  99  -6.517   3.133  -5.915
  805   1HD1  LEU  99          1HD1      LEU  99  -4.735   2.216  -4.807
  806   2HD1  LEU  99          2HD1      LEU  99  -5.718   0.949  -4.076
  807   3HD1  LEU  99          3HD1      LEU  99  -5.730   2.574  -3.391
  808   1HD2  LEU  99          1HD2      LEU  99  -6.709   0.278  -5.568
  809   2HD2  LEU  99          2HD2      LEU  99  -6.983   1.238  -7.020
  810   3HD2  LEU  99          3HD2      LEU  99  -8.301   0.971  -5.877
  811    H    LEU 100           H        LEU 100  -6.824   5.486  -3.093
  812    HA   LEU 100           HA       LEU 100  -8.271   5.548  -0.751
  813   1HB   LEU 100          2HB       LEU 100  -6.163   7.371  -1.891
  814   2HB   LEU 100          1HB       LEU 100  -6.898   7.716  -0.326
  815    HG   LEU 100           HG       LEU 100  -5.458   5.172  -1.129
  816   1HD1  LEU 100          1HD1      LEU 100  -4.713   7.645   0.304
  817   2HD1  LEU 100          2HD1      LEU 100  -3.691   6.477  -0.533
  818   3HD1  LEU 100          3HD1      LEU 100  -4.239   6.150   1.111
  819   1HD2  LEU 100          1HD2      LEU 100  -5.822   5.028   1.570
  820   2HD2  LEU 100          2HD2      LEU 100  -6.892   4.260   0.397
  821   3HD2  LEU 100          3HD2      LEU 100  -7.316   5.829   1.083
  822    HA   PRO 101           HA       PRO 101 -10.180   9.604  -2.483
  823   1HB   PRO 101          2HB       PRO 101 -10.149   8.933  -5.369
  824   2HB   PRO 101          1HB       PRO 101  -9.836  10.493  -4.587
  825   1HG   PRO 101          2HG       PRO 101  -7.894   8.828  -5.666
  826   2HG   PRO 101          1HG       PRO 101  -7.584  10.060  -4.432
  827   1HD   PRO 101          2HD       PRO 101  -7.507   7.172  -4.158
  828   2HD   PRO 101          1HD       PRO 101  -7.039   8.414  -2.985
  829    H    LYS 102           H        LYS 102 -10.691   6.354  -3.092
  830    HA   LYS 102           HA       LYS 102 -13.383   6.643  -4.191
  831   1HB   LYS 102          2HB       LYS 102 -11.805   4.826  -4.904
  832   2HB   LYS 102          1HB       LYS 102 -11.907   4.172  -3.267
  833   1HG   LYS 102          2HG       LYS 102 -14.236   3.708  -3.491
  834   2HG   LYS 102          1HG       LYS 102 -14.351   4.645  -4.983
  835   1HD   LYS 102          2HD       LYS 102 -12.760   3.026  -6.051
  836   2HD   LYS 102          1HD       LYS 102 -12.832   2.051  -4.582
  837   1HE   LYS 102          2HE       LYS 102 -15.330   1.930  -4.871
  838   2HE   LYS 102          1HE       LYS 102 -15.137   2.732  -6.430
  839   1HZ   LYS 102          1HZ       LYS 102 -14.675   0.769  -7.257
  840   2HZ   LYS 102          2HZ       LYS 102 -14.756   0.057  -5.827
  841   3HZ   LYS 102          3HZ       LYS 102 -13.365   0.653  -6.345
  842    H    PHE 103           H        PHE 103 -11.807   5.701  -1.164
  843    HA   PHE 103           HA       PHE 103 -14.487   5.425   0.046
  844   1HB   PHE 103          2HB       PHE 103 -12.421   4.513   1.812
  845   2HB   PHE 103          1HB       PHE 103 -13.666   3.556   1.009
  846    HD1  PHE 103           HD1      PHE 103 -13.240   2.486  -1.153
  847    HD2  PHE 103           HD2      PHE 103 -10.188   4.727   0.873
  848    HE1  PHE 103           HE1      PHE 103 -11.538   1.545  -2.685
  849    HE2  PHE 103           HE2      PHE 103  -8.474   3.771  -0.644
  850    HZ   PHE 103           HZ       PHE 103  -9.159   2.187  -2.432
  851    H    LYS 104           H        LYS 104 -12.119   7.670  -0.314
  852    HA   LYS 104           HA       LYS 104 -11.761   8.606   2.343
  853   1HB   LYS 104          2HB       LYS 104 -10.838   9.300  -0.219
  854   2HB   LYS 104          1HB       LYS 104 -11.716  10.718   0.355
  855   1HG   LYS 104          2HG       LYS 104  -9.260  10.648   0.993
  856   2HG   LYS 104          1HG       LYS 104 -10.376  10.846   2.344
  857   1HD   LYS 104          2HD       LYS 104  -9.959   8.036   1.775
  858   2HD   LYS 104          1HD       LYS 104  -8.419   8.847   2.061
  859   1HE   LYS 104          2HE       LYS 104 -10.840   9.015   3.881
  860   2HE   LYS 104          1HE       LYS 104  -9.416   8.019   4.175
  861   1HZ   LYS 104          1HZ       LYS 104  -9.729  10.626   4.848
  862   2HZ   LYS 104          2HZ       LYS 104  -8.699  10.656   3.626
  863   3HZ   LYS 104          3HZ       LYS 104  -8.372   9.782   4.925
  864    H    ARG 105           H        ARG 105 -12.539  11.226   2.417
  865    HA   ARG 105           HA       ARG 105 -15.470  11.061   2.072
  866   1HB   ARG 105          2HB       ARG 105 -15.851  11.777   4.224
  867   2HB   ARG 105          1HB       ARG 105 -14.335  10.925   4.487
  868   1HG   ARG 105          2HG       ARG 105 -14.511  13.897   3.901
  869   2HG   ARG 105          1HG       ARG 105 -14.422  13.220   5.525
  870   1HD   ARG 105          2HD       ARG 105 -12.272  12.148   4.971
  871   2HD   ARG 105          1HD       ARG 105 -12.355  12.819   3.343
  872    HE   ARG 105           HE       ARG 105 -12.593  15.009   4.957
  873   1HH1  ARG 105          1HH2      ARG 105 -10.416  12.343   4.675
  874   2HH1  ARG 105          2HH2      ARG 105  -9.042  13.241   5.226
  875   1HH2  ARG 105          1HH1      ARG 105 -10.809  16.188   5.674
  876   2HH2  ARG 105          2HH1      ARG 105  -9.264  15.415   5.790
  877    H    LYS 106           H        LYS 106 -16.392  12.797   1.069
  878    HA   LYS 106           HA       LYS 106 -15.099  15.384   1.069
  879   1HB   LYS 106          2HB       LYS 106 -14.619  13.501  -1.085
  880   2HB   LYS 106          1HB       LYS 106 -15.443  14.942  -1.681
  881   1HG   LYS 106          2HG       LYS 106 -13.284  15.506   0.241
  882   2HG   LYS 106          1HG       LYS 106 -12.734  14.763  -1.261
  883   1HD   LYS 106          2HD       LYS 106 -13.196  16.617  -2.482
  884   2HD   LYS 106          1HD       LYS 106 -14.736  16.877  -1.662
  885   1HE   LYS 106          2HE       LYS 106 -12.113  17.438  -0.281
  886   2HE   LYS 106          1HE       LYS 106 -12.890  18.648  -1.302
  887   1HZ   LYS 106          1HZ       LYS 106 -14.246  19.075   0.349
  888   2HZ   LYS 106          2HZ       LYS 106 -13.507  18.014   1.292
  889   3HZ   LYS 106          3HZ       LYS 106 -14.763  17.561   0.410
  890    H    ALA 107           H        ALA 107 -17.728  14.003   1.674
  891    HA   ALA 107           HA       ALA 107 -19.486  15.314  -0.277
  892   1HB   ALA 107          1HB       ALA 107 -20.142  13.534   2.089
  893   2HB   ALA 107          2HB       ALA 107 -19.990  12.989   0.419
  894   3HB   ALA 107          3HB       ALA 107 -21.285  14.098   0.870
  895    H    ASN 108           H        ASN 108 -19.129  17.519   0.334
  896    HA   ASN 108           HA       ASN 108 -20.194  18.183   3.018
  897   1HB   ASN 108          2HB       ASN 108 -17.713  18.911   1.754
  898   2HB   ASN 108          1HB       ASN 108 -18.687  20.359   2.005
  899   1HD2  ASN 108          1HD2      ASN 108 -16.935  17.781   3.642
  900   2HD2  ASN 108          2HD2      ASN 108 -17.117  18.401   5.211
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -12.418 -17.112 -14.764
    2   2H    MET   1          2H        MET   1 -12.828 -16.921 -13.229
    3   3H    MET   1          3H        MET   1 -13.740 -17.813 -14.195
    4    HA   MET   1           HA       MET   1 -12.154 -19.510 -14.381
    5   1HB   MET   1          2HB       MET   1 -10.233 -17.897 -14.437
    6   2HB   MET   1          1HB       MET   1 -10.401 -17.700 -12.692
    7   1HG   MET   1          2HG       MET   1 -10.366 -20.496 -13.227
    8   2HG   MET   1          1HG       MET   1  -9.030 -19.772 -14.123
    9   1HE   MET   1          1HE       MET   1  -8.315 -17.386 -12.842
   10   2HE   MET   1          2HE       MET   1  -6.923 -18.464 -12.904
   11   3HE   MET   1          3HE       MET   1  -7.303 -17.612 -11.409
   12    H    ALA   2           H        ALA   2 -12.104 -17.583 -11.353
   13    HA   ALA   2           HA       ALA   2 -13.328 -19.935 -10.035
   14   1HB   ALA   2          1HB       ALA   2 -11.811 -18.278  -8.214
   15   2HB   ALA   2          2HB       ALA   2 -10.785 -18.824  -9.540
   16   3HB   ALA   2          3HB       ALA   2 -11.642 -20.002  -8.546
   17    H    THR   3           H        THR   3 -13.844 -18.796  -7.581
   18    HA   THR   3           HA       THR   3 -16.188 -17.331  -8.056
   19    HB   THR   3           HB       THR   3 -14.799 -16.872  -5.476
   20    HG1  THR   3           HG1      THR   3 -14.720 -18.943  -4.925
   21   1HG2  THR   3          1HG2      THR   3 -17.106 -17.947  -4.805
   22   2HG2  THR   3          2HG2      THR   3 -17.520 -17.625  -6.489
   23   3HG2  THR   3          3HG2      THR   3 -17.054 -16.297  -5.426
   24    H    SER   4           H        SER   4 -16.283 -15.315  -8.911
   25    HA   SER   4           HA       SER   4 -14.063 -13.460  -8.325
   26   1HB   SER   4          2HB       SER   4 -16.040 -13.718 -10.569
   27   2HB   SER   4          1HB       SER   4 -15.311 -12.151 -10.229
   28    HG   SER   4           HG       SER   4 -13.833 -14.551 -10.562
   29    H    SER   5           H        SER   5 -14.482 -11.930  -6.807
   30    HA   SER   5           HA       SER   5 -17.230 -10.889  -6.620
   31   1HB   SER   5          2HB       SER   5 -15.769 -12.432  -4.583
   32   2HB   SER   5          1HB       SER   5 -16.429 -10.909  -3.994
   33    HG   SER   5           HG       SER   5 -18.099 -12.273  -3.812
   34    H    GLU   6           H        GLU   6 -14.326 -10.422  -4.610
   35    HA   GLU   6           HA       GLU   6 -14.625  -7.579  -4.766
   36   1HB   GLU   6          2HB       GLU   6 -12.185  -7.717  -3.793
   37   2HB   GLU   6          1HB       GLU   6 -13.568  -8.154  -2.802
   38   1HG   GLU   6          2HG       GLU   6 -12.476 -10.357  -4.440
   39   2HG   GLU   6          1HG       GLU   6 -11.391  -9.758  -3.189
   40    H    GLU   7           H        GLU   7 -12.878  -6.153  -5.527
   41    HA   GLU   7           HA       GLU   7 -11.582  -7.261  -7.956
   42   1HB   GLU   7          2HB       GLU   7 -12.561  -4.415  -7.621
   43   2HB   GLU   7          1HB       GLU   7 -11.971  -5.182  -9.096
   44   1HG   GLU   7          2HG       GLU   7 -13.965  -6.896  -8.468
   45   2HG   GLU   7          1HG       GLU   7 -14.621  -5.412  -7.775
   46    H    VAL   8           H        VAL   8  -9.315  -7.327  -7.445
   47    HA   VAL   8           HA       VAL   8  -8.373  -5.274  -5.603
   48    HB   VAL   8           HB       VAL   8  -7.732  -7.524  -5.039
   49   1HG1  VAL   8          1HG1      VAL   8  -7.315  -7.713  -7.982
   50   2HG1  VAL   8          2HG1      VAL   8  -7.976  -8.903  -6.860
   51   3HG1  VAL   8          3HG1      VAL   8  -6.232  -8.658  -6.961
   52   1HG2  VAL   8          1HG2      VAL   8  -5.904  -6.016  -4.698
   53   2HG2  VAL   8          2HG2      VAL   8  -5.504  -6.002  -6.414
   54   3HG2  VAL   8          3HG2      VAL   8  -5.221  -7.452  -5.453
   55    H    LEU   9           H        LEU   9  -6.482  -4.044  -6.166
   56    HA   LEU   9           HA       LEU   9  -6.452  -3.466  -9.040
   57   1HB   LEU   9          2HB       LEU   9  -6.908  -1.636  -7.463
   58   2HB   LEU   9          1HB       LEU   9  -5.321  -1.875  -6.734
   59    HG   LEU   9           HG       LEU   9  -4.192  -1.223  -8.728
   60   1HD1  LEU   9          1HD1      LEU   9  -5.492  -0.730 -10.830
   61   2HD1  LEU   9          2HD1      LEU   9  -6.915  -1.422 -10.051
   62   3HD1  LEU   9          3HD1      LEU   9  -5.505  -2.432 -10.370
   63   1HD2  LEU   9          1HD2      LEU   9  -5.722   0.927  -9.346
   64   2HD2  LEU   9          2HD2      LEU   9  -4.752   0.830  -7.876
   65   3HD2  LEU   9          3HD2      LEU   9  -6.473   0.452  -7.823
   66    H    LEU  10           H        LEU  10  -3.892  -4.002  -6.447
   67    HA   LEU  10           HA       LEU  10  -2.301  -5.156  -8.598
   68   1HB   LEU  10          2HB       LEU  10  -2.053  -2.594  -8.680
   69   2HB   LEU  10          1HB       LEU  10  -1.158  -2.760  -7.171
   70    HG   LEU  10           HG       LEU  10   0.492  -4.171  -8.214
   71   1HD1  LEU  10          1HD1      LEU  10   0.204  -4.551 -10.776
   72   2HD1  LEU  10          2HD1      LEU  10  -1.502  -4.225 -10.472
   73   3HD1  LEU  10          3HD1      LEU  10  -0.707  -5.579  -9.669
   74   1HD2  LEU  10          1HD2      LEU  10   1.181  -2.015  -8.693
   75   2HD2  LEU  10          2HD2      LEU  10  -0.278  -1.642  -9.612
   76   3HD2  LEU  10          3HD2      LEU  10   0.991  -2.631 -10.335
   77    H    ILE  11           H        ILE  11  -0.109  -5.863  -7.761
   78    HA   ILE  11           HA       ILE  11  -0.086  -6.278  -4.850
   79    HB   ILE  11           HB       ILE  11  -1.028  -8.328  -5.594
   80   1HG1  ILE  11          2HG1      ILE  11   1.966  -8.434  -5.258
   81   2HG1  ILE  11          1HG1      ILE  11   0.712  -9.031  -4.188
   82   1HG2  ILE  11          1HG2      ILE  11  -0.198  -9.519  -7.600
   83   2HG2  ILE  11          2HG2      ILE  11   0.964  -8.222  -7.881
   84   3HG2  ILE  11          3HG2      ILE  11  -0.765  -7.897  -8.001
   85   1HD1  ILE  11          1HD1      ILE  11   1.786 -10.270  -6.714
   86   2HD1  ILE  11          2HD1      ILE  11   0.183 -10.700  -6.118
   87   3HD1  ILE  11          3HD1      ILE  11   1.605 -10.997  -5.118
   88    H    VAL  12           H        VAL  12   2.002  -6.124  -4.052
   89    HA   VAL  12           HA       VAL  12   4.148  -6.028  -6.079
   90    HB   VAL  12           HB       VAL  12   5.147  -4.457  -4.092
   91   1HG1  VAL  12          1HG1      VAL  12   3.475  -3.657  -6.490
   92   2HG1  VAL  12          2HG1      VAL  12   5.215  -3.946  -6.467
   93   3HG1  VAL  12          3HG1      VAL  12   4.540  -2.563  -5.607
   94   1HG2  VAL  12          1HG2      VAL  12   3.353  -4.016  -2.717
   95   2HG2  VAL  12          2HG2      VAL  12   2.165  -4.292  -3.987
   96   3HG2  VAL  12          3HG2      VAL  12   3.060  -2.783  -3.939
   97    H    LYS  13           H        LYS  13   4.903  -8.026  -5.760
   98    HA   LYS  13           HA       LYS  13   5.224  -9.476  -3.424
   99   1HB   LYS  13          2HB       LYS  13   6.362 -10.956  -4.755
  100   2HB   LYS  13          1HB       LYS  13   5.617  -9.971  -6.003
  101   1HG   LYS  13          2HG       LYS  13   8.408  -9.509  -4.920
  102   2HG   LYS  13          1HG       LYS  13   8.051 -10.388  -6.405
  103   1HD   LYS  13          2HD       LYS  13   6.846  -7.674  -6.087
  104   2HD   LYS  13          1HD       LYS  13   8.574  -7.768  -6.430
  105   1HE   LYS  13          2HE       LYS  13   6.968  -9.582  -8.086
  106   2HE   LYS  13          1HE       LYS  13   6.569  -7.882  -8.329
  107   1HZ   LYS  13          1HZ       LYS  13   8.661  -7.451  -9.040
  108   2HZ   LYS  13          2HZ       LYS  13   8.510  -8.944  -9.595
  109   3HZ   LYS  13          3HZ       LYS  13   9.343  -8.670  -8.257
  110    H    LYS  14           H        LYS  14   6.893  -6.747  -4.434
  111    HA   LYS  14           HA       LYS  14   8.989  -7.271  -2.409
  112   1HB   LYS  14          2HB       LYS  14   9.610  -6.883  -4.948
  113   2HB   LYS  14          1HB       LYS  14   9.322  -5.192  -4.544
  114   1HG   LYS  14          2HG       LYS  14  11.680  -5.705  -4.199
  115   2HG   LYS  14          1HG       LYS  14  10.914  -5.412  -2.637
  116   1HD   LYS  14          2HD       LYS  14  10.880  -7.706  -2.087
  117   2HD   LYS  14          1HD       LYS  14  11.120  -8.202  -3.762
  118   1HE   LYS  14          2HE       LYS  14  13.195  -8.476  -2.447
  119   2HE   LYS  14          1HE       LYS  14  13.402  -7.274  -3.720
  120   1HZ   LYS  14          1HZ       LYS  14  12.765  -5.653  -1.932
  121   2HZ   LYS  14          2HZ       LYS  14  14.228  -6.291  -1.826
  122   3HZ   LYS  14          3HZ       LYS  14  13.055  -6.820  -0.875
  123    H    VAL  15           H        VAL  15   8.675  -6.052  -0.600
  124    HA   VAL  15           HA       VAL  15   8.131  -3.270  -1.033
  125    HB   VAL  15           HB       VAL  15   5.951  -4.925   0.179
  126   1HG1  VAL  15          1HG1      VAL  15   5.091  -3.061   1.366
  127   2HG1  VAL  15          2HG1      VAL  15   6.241  -1.959   0.629
  128   3HG1  VAL  15          3HG1      VAL  15   6.789  -3.119   1.837
  129   1HG2  VAL  15          1HG2      VAL  15   5.260  -4.301  -1.887
  130   2HG2  VAL  15          2HG2      VAL  15   6.461  -3.018  -1.980
  131   3HG2  VAL  15          3HG2      VAL  15   4.956  -2.747  -1.109
  132    H    ARG  16           H        ARG  16   8.707  -2.004   0.634
  133    HA   ARG  16           HA       ARG  16  10.210  -3.393   2.774
  134   1HB   ARG  16          2HB       ARG  16  11.538  -2.258   0.906
  135   2HB   ARG  16          1HB       ARG  16  10.814  -0.738   1.413
  136   1HG   ARG  16          2HG       ARG  16  12.897  -0.832   2.534
  137   2HG   ARG  16          1HG       ARG  16  11.694  -1.280   3.750
  138   1HD   ARG  16          2HD       ARG  16  12.479  -3.613   2.278
  139   2HD   ARG  16          1HD       ARG  16  13.930  -2.802   2.856
  140    HE   ARG  16           HE       ARG  16  12.086  -4.323   4.382
  141   1HH1  ARG  16          1HH2      ARG  16  13.750  -1.281   4.441
  142   2HH1  ARG  16          2HH2      ARG  16  13.656  -1.119   6.160
  143   1HH2  ARG  16          1HH1      ARG  16  12.025  -4.120   6.648
  144   2HH2  ARG  16          2HH1      ARG  16  12.689  -2.714   7.399
  145    H    GLN  17           H        GLN  17   9.552  -2.819   4.755
  146    HA   GLN  17           HA       GLN  17   8.339  -0.160   5.011
  147   1HB   GLN  17          2HB       GLN  17   6.729  -1.263   6.681
  148   2HB   GLN  17          1HB       GLN  17   6.429  -1.578   4.985
  149   1HG   GLN  17          2HG       GLN  17   7.439  -3.733   5.085
  150   2HG   GLN  17          1HG       GLN  17   8.026  -3.435   6.710
  151   1HE2  GLN  17          1HE2      GLN  17   5.026  -2.012   6.709
  152   2HE2  GLN  17          2HE2      GLN  17   4.094  -3.324   7.238
  153    H    LYS  18           H        LYS  18   9.265   0.901   6.654
  154    HA   LYS  18           HA       LYS  18  11.623   0.409   7.713
  155   1HB   LYS  18          2HB       LYS  18   9.662   2.212   8.352
  156   2HB   LYS  18          1HB       LYS  18   9.860   1.343   9.875
  157   1HG   LYS  18          2HG       LYS  18  12.471   1.748   8.931
  158   2HG   LYS  18          1HG       LYS  18  11.636   3.271   8.626
  159   1HD   LYS  18          2HD       LYS  18  10.981   2.135  11.243
  160   2HD   LYS  18          1HD       LYS  18  12.702   2.477  11.062
  161   1HE   LYS  18          2HE       LYS  18  11.457   4.698   9.927
  162   2HE   LYS  18          1HE       LYS  18  10.472   4.336  11.344
  163   1HZ   LYS  18          1HZ       LYS  18  12.081   5.443  12.372
  164   2HZ   LYS  18          2HZ       LYS  18  13.166   5.236  11.215
  165   3HZ   LYS  18          3HZ       LYS  18  12.914   4.078  12.289
  166    H    LYS  19           H        LYS  19   8.786  -1.403   8.704
  167    HA   LYS  19           HA       LYS  19  10.132  -2.510  11.004
  168   1HB   LYS  19          2HB       LYS  19   8.168  -3.936  11.202
  169   2HB   LYS  19          1HB       LYS  19   7.632  -2.296  10.858
  170   1HG   LYS  19          2HG       LYS  19   7.459  -2.959   8.401
  171   2HG   LYS  19          1HG       LYS  19   7.770  -4.626   8.891
  172   1HD   LYS  19          2HD       LYS  19   5.408  -2.883   9.585
  173   2HD   LYS  19          1HD       LYS  19   5.419  -4.457   8.783
  174   1HE   LYS  19          2HE       LYS  19   6.149  -5.547  10.838
  175   2HE   LYS  19          1HE       LYS  19   6.293  -3.989  11.652
  176   1HZ   LYS  19          1HZ       LYS  19   4.203  -4.326  12.215
  177   2HZ   LYS  19          2HZ       LYS  19   3.986  -5.530  11.184
  178   3HZ   LYS  19          3HZ       LYS  19   3.791  -4.018  10.699
  179    H    GLN  20           H        GLN  20   9.088  -3.786   7.878
  180    HA   GLN  20           HA       GLN  20  11.342  -5.626   7.766
  181   1HB   GLN  20          2HB       GLN  20   8.438  -6.418   7.862
  182   2HB   GLN  20          1HB       GLN  20   9.706  -7.492   7.268
  183   1HG   GLN  20          2HG       GLN  20   9.860  -6.152   9.950
  184   2HG   GLN  20          1HG       GLN  20   9.074  -7.713   9.743
  185   1HE2  GLN  20          1HE2      GLN  20  10.632  -9.083  10.744
  186   2HE2  GLN  20          2HE2      GLN  20  12.238  -9.215  10.213
  187    H    ASP  21           H        ASP  21  11.291  -6.860   5.660
  188    HA   ASP  21           HA       ASP  21  10.154  -5.117   3.556
  189   1HB   ASP  21          2HB       ASP  21  11.883  -7.175   2.513
  190   2HB   ASP  21          1HB       ASP  21  12.143  -5.434   2.442
  191    H    GLY  22           H        GLY  22   8.565  -6.091   2.416
  192   1HA   GLY  22          2HA       GLY  22   8.161  -8.933   2.435
  193   2HA   GLY  22          1HA       GLY  22   7.029  -8.064   3.452
  194    H    ALA  23           H        ALA  23   6.130  -9.442   1.157
  195    HA   ALA  23           HA       ALA  23   5.870  -7.509  -0.926
  196   1HB   ALA  23          1HB       ALA  23   4.712 -10.251  -0.433
  197   2HB   ALA  23          2HB       ALA  23   5.945  -9.796  -1.605
  198   3HB   ALA  23          3HB       ALA  23   4.275  -9.283  -1.839
  199    H    LEU  24           H        LEU  24   4.391  -6.183  -1.203
  200    HA   LEU  24           HA       LEU  24   2.108  -6.017   0.688
  201   1HB   LEU  24          2HB       LEU  24   3.954  -4.151  -0.413
  202   2HB   LEU  24          1HB       LEU  24   2.351  -3.684  -0.943
  203    HG   LEU  24           HG       LEU  24   3.411  -4.002   1.854
  204   1HD1  LEU  24          1HD1      LEU  24   3.719  -1.792   1.281
  205   2HD1  LEU  24          2HD1      LEU  24   2.017  -1.677   1.732
  206   3HD1  LEU  24          3HD1      LEU  24   2.473  -1.836   0.037
  207   1HD2  LEU  24          1HD2      LEU  24   0.946  -3.358   2.426
  208   2HD2  LEU  24          2HD2      LEU  24   1.319  -5.049   2.091
  209   3HD2  LEU  24          3HD2      LEU  24   0.571  -4.048   0.846
  210    H    TYR  25           H        TYR  25   0.052  -6.209  -0.073
  211    HA   TYR  25           HA       TYR  25  -0.367  -6.435  -3.001
  212   1HB   TYR  25          2HB       TYR  25  -1.568  -7.708  -0.566
  213   2HB   TYR  25          1HB       TYR  25  -2.624  -7.416  -1.941
  214    HD1  TYR  25           HD1      TYR  25   0.352  -9.240  -0.745
  215    HD2  TYR  25           HD2      TYR  25  -2.375  -8.628  -4.000
  216    HE1  TYR  25           HE1      TYR  25   1.180 -11.316  -1.816
  217    HE2  TYR  25           HE2      TYR  25  -1.558 -10.714  -5.077
  218    HH   TYR  25           HH       TYR  25   0.873 -12.771  -3.476
  219    H    LEU  26           H        LEU  26  -1.990  -4.882  -3.902
  220    HA   LEU  26           HA       LEU  26  -3.112  -3.149  -1.813
  221   1HB   LEU  26          2HB       LEU  26  -1.528  -2.090  -3.469
  222   2HB   LEU  26          1HB       LEU  26  -2.637  -2.570  -4.755
  223    HG   LEU  26           HG       LEU  26  -4.257  -1.327  -2.834
  224   1HD1  LEU  26          1HD1      LEU  26  -1.815  -0.512  -2.119
  225   2HD1  LEU  26          2HD1      LEU  26  -3.199   0.580  -2.081
  226   3HD1  LEU  26          3HD1      LEU  26  -2.078   0.624  -3.441
  227   1HD2  LEU  26          1HD2      LEU  26  -3.891   0.598  -4.726
  228   2HD2  LEU  26          2HD2      LEU  26  -4.902  -0.826  -4.973
  229   3HD2  LEU  26          3HD2      LEU  26  -3.243  -0.807  -5.574
  230    H    MET  27           H        MET  27  -5.336  -3.067  -1.759
  231    HA   MET  27           HA       MET  27  -6.800  -4.370  -3.967
  232   1HB   MET  27          2HB       MET  27  -6.624  -5.685  -1.729
  233   2HB   MET  27          1HB       MET  27  -7.679  -4.431  -1.078
  234   1HG   MET  27          2HG       MET  27  -9.488  -5.144  -2.262
  235   2HG   MET  27          1HG       MET  27  -8.523  -5.607  -3.662
  236   1HE   MET  27          1HE       MET  27  -9.667  -8.835  -3.623
  237   2HE   MET  27          2HE       MET  27 -10.158  -7.161  -3.868
  238   3HE   MET  27          3HE       MET  27 -10.852  -8.089  -2.541
  239    H    ALA  28           H        ALA  28  -8.630  -3.162  -4.610
  240    HA   ALA  28           HA       ALA  28  -8.748  -0.463  -4.347
  241   1HB   ALA  28          1HB       ALA  28 -10.828  -2.572  -4.750
  242   2HB   ALA  28          2HB       ALA  28 -10.392  -1.207  -5.784
  243   3HB   ALA  28          3HB       ALA  28 -11.398  -0.946  -4.360
  244    H    GLU  29           H        GLU  29 -10.690  -2.624  -2.343
  245    HA   GLU  29           HA       GLU  29 -11.184  -0.510  -0.464
  246   1HB   GLU  29          2HB       GLU  29 -12.835  -2.267  -1.116
  247   2HB   GLU  29          1HB       GLU  29 -11.849  -3.431  -0.235
  248   1HG   GLU  29          2HG       GLU  29 -13.117  -2.883   1.559
  249   2HG   GLU  29          1HG       GLU  29 -12.157  -1.407   1.618
  250    H    ARG  30           H        ARG  30  -8.560  -2.828  -0.572
  251    HA   ARG  30           HA       ARG  30  -7.897  -1.899   2.091
  252   1HB   ARG  30          2HB       ARG  30  -8.003  -3.916   3.246
  253   2HB   ARG  30          1HB       ARG  30  -9.485  -3.920   2.307
  254   1HG   ARG  30          2HG       ARG  30  -7.406  -5.075   0.719
  255   2HG   ARG  30          1HG       ARG  30  -7.380  -5.830   2.313
  256   1HD   ARG  30          2HD       ARG  30  -8.947  -7.086   0.985
  257   2HD   ARG  30          1HD       ARG  30  -9.895  -6.107   2.098
  258    HE   ARG  30           HE       ARG  30  -9.566  -4.568  -0.200
  259   1HH1  ARG  30          1HH2      ARG  30 -10.790  -7.691   0.651
  260   2HH1  ARG  30          2HH2      ARG  30 -12.012  -7.690  -0.575
  261   1HH2  ARG  30          1HH1      ARG  30 -11.187  -4.554  -1.790
  262   2HH2  ARG  30          2HH1      ARG  30 -12.236  -5.922  -1.952
  263    H    ILE  31           H        ILE  31  -5.857  -2.698   2.857
  264    HA   ILE  31           HA       ILE  31  -4.011  -3.281   0.608
  265    HB   ILE  31           HB       ILE  31  -3.813  -1.572   3.067
  266   1HG1  ILE  31          2HG1      ILE  31  -4.229  -0.752   0.702
  267   2HG1  ILE  31          1HG1      ILE  31  -2.849  -0.018   1.519
  268   1HG2  ILE  31          1HG2      ILE  31  -1.697  -3.394   2.095
  269   2HG2  ILE  31          2HG2      ILE  31  -1.833  -2.551   3.637
  270   3HG2  ILE  31          3HG2      ILE  31  -1.198  -1.708   2.226
  271   1HD1  ILE  31          1HD1      ILE  31  -1.512  -0.715  -0.149
  272   2HD1  ILE  31          2HD1      ILE  31  -2.882  -1.495  -0.937
  273   3HD1  ILE  31          3HD1      ILE  31  -1.919  -2.386   0.238
  274    H    ALA  32           H        ALA  32  -2.728  -5.128   0.779
  275    HA   ALA  32           HA       ALA  32  -2.956  -6.621   3.327
  276   1HB   ALA  32          1HB       ALA  32  -3.719  -7.377   0.655
  277   2HB   ALA  32          2HB       ALA  32  -3.936  -8.268   2.162
  278   3HB   ALA  32          3HB       ALA  32  -2.442  -8.443   1.241
  279    H    TRP  33           H        TRP  33  -1.142  -7.735   4.034
  280    HA   TRP  33           HA       TRP  33   1.317  -7.163   2.474
  281   1HB   TRP  33          2HB       TRP  33   1.102  -5.779   4.560
  282   2HB   TRP  33          1HB       TRP  33   1.169  -7.274   5.476
  283    HD1  TRP  33           HD1      TRP  33   3.218  -6.255   2.389
  284    HE1  TRP  33           HE1      TRP  33   5.697  -6.398   3.063
  285    HE3  TRP  33           HE3      TRP  33   2.856  -7.653   7.285
  286    HZ2  TRP  33           HZ2      TRP  33   7.326  -7.011   5.208
  287    HZ3  TRP  33           HZ3      TRP  33   4.905  -8.063   8.596
  288    HH2  TRP  33           HH2      TRP  33   7.145  -7.766   7.566
  289    H    ALA  34           H        ALA  34   2.752  -8.804   2.297
  290    HA   ALA  34           HA       ALA  34   2.451 -11.208   3.890
  291   1HB   ALA  34          1HB       ALA  34   1.635 -11.012   1.057
  292   2HB   ALA  34          2HB       ALA  34   1.055 -12.082   2.335
  293   3HB   ALA  34          3HB       ALA  34   2.574 -12.435   1.513
  294    HA   PRO  35           HA       PRO  35   6.680 -11.047   2.622
  295   1HB   PRO  35          2HB       PRO  35   7.638 -11.707   5.212
  296   2HB   PRO  35          1HB       PRO  35   7.503 -10.089   4.508
  297   1HG   PRO  35          2HG       PRO  35   5.893 -11.267   6.612
  298   2HG   PRO  35          1HG       PRO  35   5.844  -9.616   5.985
  299   1HD   PRO  35          2HD       PRO  35   3.943 -11.723   5.535
  300   2HD   PRO  35          1HD       PRO  35   3.906 -10.068   4.898
  301    H    GLU  36           H        GLU  36   6.020 -13.480   5.173
  302    HA   GLU  36           HA       GLU  36   7.890 -15.351   4.205
  303   1HB   GLU  36          2HB       GLU  36   6.060 -15.170   6.346
  304   2HB   GLU  36          1HB       GLU  36   5.645 -16.646   5.475
  305   1HG   GLU  36          2HG       GLU  36   8.449 -16.625   5.554
  306   2HG   GLU  36          1HG       GLU  36   7.945 -16.105   7.163
  307    H    GLY  37           H        GLY  37   7.143 -17.611   3.426
  308   1HA   GLY  37          2HA       GLY  37   5.377 -17.160   1.121
  309   2HA   GLY  37          1HA       GLY  37   6.518 -18.493   1.305
  310    H    LYS  38           H        LYS  38   5.660 -19.054   4.080
  311    HA   LYS  38           HA       LYS  38   3.747 -21.017   3.586
  312   1HB   LYS  38          2HB       LYS  38   4.587 -19.547   6.080
  313   2HB   LYS  38          1HB       LYS  38   3.301 -20.753   6.131
  314   1HG   LYS  38          2HG       LYS  38   5.291 -22.002   4.650
  315   2HG   LYS  38          1HG       LYS  38   6.191 -21.133   5.894
  316   1HD   LYS  38          2HD       LYS  38   5.618 -23.328   6.758
  317   2HD   LYS  38          1HD       LYS  38   4.653 -22.124   7.612
  318   1HE   LYS  38          2HE       LYS  38   2.740 -23.055   6.879
  319   2HE   LYS  38          1HE       LYS  38   3.289 -22.966   5.206
  320   1HZ   LYS  38          1HZ       LYS  38   3.963 -25.078   7.102
  321   2HZ   LYS  38          2HZ       LYS  38   4.506 -24.991   5.600
  322   3HZ   LYS  38          3HZ       LYS  38   2.946 -25.219   5.873
  323    H    ASP  39           H        ASP  39   2.600 -18.799   6.009
  324    HA   ASP  39           HA       ASP  39   0.061 -18.638   4.650
  325   1HB   ASP  39          2HB       ASP  39   1.092 -18.170   7.308
  326   2HB   ASP  39          1HB       ASP  39   0.131 -16.788   6.781
  327    H    ARG  40           H        ARG  40   1.537 -17.600   2.811
  328    HA   ARG  40           HA       ARG  40   2.652 -15.294   2.451
  329   1HB   ARG  40          2HB       ARG  40   0.389 -14.923   0.778
  330   2HB   ARG  40          1HB       ARG  40   1.973 -15.554   0.340
  331   1HG   ARG  40          2HG       ARG  40   1.260 -17.823   1.007
  332   2HG   ARG  40          1HG       ARG  40  -0.330 -17.193   1.443
  333   1HD   ARG  40          2HD       ARG  40  -0.432 -18.150  -0.800
  334   2HD   ARG  40          1HD       ARG  40  -0.613 -16.398  -0.907
  335    HE   ARG  40           HE       ARG  40   2.076 -16.793  -1.192
  336   1HH1  ARG  40          1HH2      ARG  40  -0.798 -18.036  -2.653
  337   2HH1  ARG  40          2HH2      ARG  40  -0.056 -18.288  -4.197
  338   1HH2  ARG  40          1HH1      ARG  40   3.050 -17.118  -3.201
  339   2HH2  ARG  40          2HH1      ARG  40   2.118 -17.770  -4.507
  340    H    PHE  41           H        PHE  41  -0.769 -14.841   2.196
  341    HA   PHE  41           HA       PHE  41  -0.843 -12.177   2.783
  342   1HB   PHE  41          2HB       PHE  41  -2.846 -14.359   3.339
  343   2HB   PHE  41          1HB       PHE  41  -3.196 -12.660   3.689
  344    HD1  PHE  41           HD1      PHE  41  -3.794 -15.016   1.295
  345    HD2  PHE  41           HD2      PHE  41  -2.046 -11.108   1.665
  346    HE1  PHE  41           HE1      PHE  41  -4.200 -14.609  -1.117
  347    HE2  PHE  41           HE2      PHE  41  -2.456 -10.699  -0.751
  348    HZ   PHE  41           HZ       PHE  41  -3.527 -12.453  -2.138
  349    H    THR  42           H        THR  42  -0.037 -11.113   4.434
  350    HA   THR  42           HA       THR  42  -0.143 -12.348   7.115
  351    HB   THR  42           HB       THR  42   2.080 -11.518   5.650
  352    HG1  THR  42           HG1      THR  42   1.686 -12.798   7.708
  353   1HG2  THR  42          1HG2      THR  42   1.735  -9.174   5.903
  354   2HG2  THR  42          2HG2      THR  42   2.966  -9.625   7.080
  355   3HG2  THR  42          3HG2      THR  42   1.309  -9.348   7.609
  356    H    ILE  43           H        ILE  43  -1.196  -9.788   5.135
  357    HA   ILE  43           HA       ILE  43  -2.482  -8.568   7.476
  358    HB   ILE  43           HB       ILE  43  -0.144  -7.474   6.268
  359   1HG1  ILE  43          2HG1      ILE  43  -1.972  -6.810   8.548
  360   2HG1  ILE  43          1HG1      ILE  43  -0.314  -7.414   8.596
  361   1HG2  ILE  43          1HG2      ILE  43  -2.478  -5.545   6.247
  362   2HG2  ILE  43          2HG2      ILE  43  -1.856  -6.297   4.783
  363   3HG2  ILE  43          3HG2      ILE  43  -0.825  -5.227   5.726
  364   1HD1  ILE  43          1HD1      ILE  43  -1.296  -4.665   8.373
  365   2HD1  ILE  43          2HD1      ILE  43  -0.046  -5.059   7.190
  366   3HD1  ILE  43          3HD1      ILE  43   0.277  -5.248   8.919
  367    H    SER  44           H        SER  44  -4.099  -7.024   6.960
  368    HA   SER  44           HA       SER  44  -4.854  -6.473   4.281
  369   1HB   SER  44          2HB       SER  44  -5.687  -8.686   4.121
  370   2HB   SER  44          1HB       SER  44  -6.294  -8.663   5.774
  371    HG   SER  44           HG       SER  44  -7.762  -8.268   3.807
  372    H    HIS  45           H        HIS  45  -5.230  -4.328   4.872
  373    HA   HIS  45           HA       HIS  45  -7.130  -3.910   7.107
  374   1HB   HIS  45          2HB       HIS  45  -5.972  -1.481   6.118
  375   2HB   HIS  45          1HB       HIS  45  -5.914  -2.136   7.752
  376    HD1  HIS  45           HD1      HIS  45  -3.597  -2.595   8.531
  377    HD2  HIS  45           HD2      HIS  45  -3.899  -2.871   4.393
  378    HE1  HIS  45           HE1      HIS  45  -1.248  -2.983   7.665
  379    H    MET  46           H        MET  46  -9.118  -3.343   6.502
  380    HA   MET  46           HA       MET  46  -9.753  -2.736   3.769
  381   1HB   MET  46          2HB       MET  46 -11.228  -3.066   6.305
  382   2HB   MET  46          1HB       MET  46 -11.943  -1.911   5.184
  383   1HG   MET  46          2HG       MET  46 -12.182  -3.529   3.479
  384   2HG   MET  46          1HG       MET  46 -11.041  -4.632   4.248
  385   1HE   MET  46          1HE       MET  46 -12.260  -6.554   4.073
  386   2HE   MET  46          2HE       MET  46 -13.455  -7.100   5.247
  387   3HE   MET  46          3HE       MET  46 -11.845  -6.636   5.790
  388    H    TYR  47           H        TYR  47  -9.062  -0.838   2.948
  389    HA   TYR  47           HA       TYR  47  -8.221   1.417   4.117
  390   1HB   TYR  47          2HB       TYR  47  -9.623   0.849   1.538
  391   2HB   TYR  47          1HB       TYR  47  -9.405   2.534   2.004
  392    HD1  TYR  47           HD1      TYR  47  -6.701   1.069   3.591
  393    HD2  TYR  47           HD2      TYR  47  -8.103   1.830  -0.413
  394    HE1  TYR  47           HE1      TYR  47  -4.380   1.073   2.769
  395    HE2  TYR  47           HE2      TYR  47  -5.780   1.847  -1.200
  396    HH   TYR  47           HH       TYR  47  -3.648   1.689  -0.662
  397    H    ALA  48           H        ALA  48 -11.694   0.713   3.469
  398    HA   ALA  48           HA       ALA  48 -12.523   3.214   4.602
  399   1HB   ALA  48          1HB       ALA  48 -14.116   2.042   3.239
  400   2HB   ALA  48          2HB       ALA  48 -14.740   1.985   4.889
  401   3HB   ALA  48          3HB       ALA  48 -13.947   0.569   4.198
  402    H    ASP  49           H        ASP  49 -12.211  -0.029   5.805
  403    HA   ASP  49           HA       ASP  49 -13.030   0.263   8.454
  404   1HB   ASP  49          2HB       ASP  49 -10.873  -1.434   7.219
  405   2HB   ASP  49          1HB       ASP  49 -11.099  -1.417   8.966
  406    H    ILE  50           H        ILE  50 -10.051   1.291   6.932
  407    HA   ILE  50           HA       ILE  50  -9.390   2.475   9.549
  408    HB   ILE  50           HB       ILE  50  -7.303   1.760   9.197
  409   1HG1  ILE  50          2HG1      ILE  50  -6.720   3.543   7.621
  410   2HG1  ILE  50          1HG1      ILE  50  -6.056   2.007   7.063
  411   1HG2  ILE  50          1HG2      ILE  50  -7.008  -0.148   7.822
  412   2HG2  ILE  50          2HG2      ILE  50  -8.295   0.372   6.735
  413   3HG2  ILE  50          3HG2      ILE  50  -8.683  -0.157   8.371
  414   1HD1  ILE  50          1HD1      ILE  50  -8.477   1.925   5.896
  415   2HD1  ILE  50          2HD1      ILE  50  -7.029   2.543   5.109
  416   3HD1  ILE  50          3HD1      ILE  50  -8.166   3.660   5.860
  417    H    LYS  51           H        LYS  51  -8.397   4.797   9.385
  418    HA   LYS  51           HA       LYS  51  -9.093   6.023   6.828
  419   1HB   LYS  51          2HB       LYS  51 -11.160   6.021   8.303
  420   2HB   LYS  51          1HB       LYS  51 -10.300   7.179   9.322
  421   1HG   LYS  51          2HG       LYS  51 -10.601   7.557   6.337
  422   2HG   LYS  51          1HG       LYS  51 -11.766   8.206   7.495
  423   1HD   LYS  51          2HD       LYS  51  -9.606   9.190   8.653
  424   2HD   LYS  51          1HD       LYS  51  -8.887   8.972   7.056
  425   1HE   LYS  51          2HE       LYS  51  -9.786  11.006   6.592
  426   2HE   LYS  51          1HE       LYS  51 -11.310  10.131   6.443
  427   1HZ   LYS  51          1HZ       LYS  51 -11.697  10.575   8.753
  428   2HZ   LYS  51          2HZ       LYS  51 -11.484  11.954   7.971
  429   3HZ   LYS  51          3HZ       LYS  51 -10.313  11.367   8.890
  430    H    CYS  52           H        CYS  52  -7.205   6.877   6.445
  431    HA   CYS  52           HA       CYS  52  -6.501   9.346   7.341
  432   1HB   CYS  52          2HB       CYS  52  -5.511   7.204   9.034
  433   2HB   CYS  52          1HB       CYS  52  -4.227   8.249   8.434
  434    HG   CYS  52           HG       CYS  52  -5.322  10.264   9.595
  435    H    GLN  53           H        GLN  53  -5.041  10.090   5.778
  436    HA   GLN  53           HA       GLN  53  -3.514   7.990   4.379
  437   1HB   GLN  53          2HB       GLN  53  -5.774   9.560   3.332
  438   2HB   GLN  53          1HB       GLN  53  -4.358   9.503   2.281
  439   1HG   GLN  53          2HG       GLN  53  -5.460   6.999   3.551
  440   2HG   GLN  53          1HG       GLN  53  -6.108   7.613   2.030
  441   1HE2  GLN  53          1HE2      GLN  53  -5.233   5.995   0.629
  442   2HE2  GLN  53          2HE2      GLN  53  -3.565   5.768   0.410
  443    H    LYS  54           H        LYS  54  -1.571   8.561   3.973
  444    HA   LYS  54           HA       LYS  54  -0.835  11.411   3.732
  445   1HB   LYS  54          2HB       LYS  54  -0.161   9.529   5.787
  446   2HB   LYS  54          1HB       LYS  54   1.291   9.830   4.837
  447   1HG   LYS  54          2HG       LYS  54  -0.399  12.157   5.670
  448   2HG   LYS  54          1HG       LYS  54   0.653  11.397   6.865
  449   1HD   LYS  54          2HD       LYS  54   1.628  12.304   4.145
  450   2HD   LYS  54          1HD       LYS  54   1.713  13.317   5.586
  451   1HE   LYS  54          2HE       LYS  54   2.814  11.050   6.566
  452   2HE   LYS  54          1HE       LYS  54   3.291  10.903   4.874
  453   1HZ   LYS  54          1HZ       LYS  54   4.871  12.153   6.187
  454   2HZ   LYS  54          2HZ       LYS  54   3.765  13.258   6.528
  455   3HZ   LYS  54          3HZ       LYS  54   4.256  13.058   5.018
  456    H    ILE  55           H        ILE  55  -0.125  11.525   1.574
  457    HA   ILE  55           HA       ILE  55   1.779   9.430   0.771
  458    HB   ILE  55           HB       ILE  55  -0.327  10.338  -1.169
  459   1HG1  ILE  55          2HG1      ILE  55  -1.404   9.432   0.954
  460   2HG1  ILE  55          1HG1      ILE  55  -1.785   8.544  -0.522
  461   1HG2  ILE  55          1HG2      ILE  55   1.640   8.086  -0.898
  462   2HG2  ILE  55          2HG2      ILE  55   1.326   9.130  -2.284
  463   3HG2  ILE  55          3HG2      ILE  55   0.186   7.850  -1.868
  464   1HD1  ILE  55          1HD1      ILE  55  -0.884   7.359   1.756
  465   2HD1  ILE  55          2HD1      ILE  55   0.639   7.630   0.909
  466   3HD1  ILE  55          3HD1      ILE  55  -0.641   6.688   0.143
  467    H    SER  56           H        SER  56   3.499  10.820   0.673
  468    HA   SER  56           HA       SER  56   3.215  13.070  -1.205
  469   1HB   SER  56          2HB       SER  56   5.385  13.018   0.844
  470   2HB   SER  56          1HB       SER  56   4.559  14.396   0.122
  471    HG   SER  56           HG       SER  56   3.889  12.842   2.307
  472    HA   PRO  57           HA       PRO  57   6.932  10.472  -2.133
  473   1HB   PRO  57          2HB       PRO  57   5.935   8.217  -3.590
  474   2HB   PRO  57          1HB       PRO  57   6.842   8.272  -2.075
  475   1HG   PRO  57          2HG       PRO  57   4.070   7.670  -2.423
  476   2HG   PRO  57          1HG       PRO  57   5.005   7.623  -0.963
  477   1HD   PRO  57          2HD       PRO  57   3.042   9.573  -1.694
  478   2HD   PRO  57          1HD       PRO  57   4.047   9.525  -0.238
  479    H    GLU  58           H        GLU  58   5.933  12.555  -3.422
  480    HA   GLU  58           HA       GLU  58   5.768  11.797  -6.270
  481   1HB   GLU  58          2HB       GLU  58   4.056  13.392  -5.301
  482   2HB   GLU  58          1HB       GLU  58   5.374  14.522  -4.991
  483   1HG   GLU  58          2HG       GLU  58   5.189  15.263  -7.106
  484   2HG   GLU  58          1HG       GLU  58   5.668  13.664  -7.675
  485    H    GLY  59           H        GLY  59   7.651  13.424  -3.821
  486   1HA   GLY  59          2HA       GLY  59   9.958  13.448  -5.596
  487   2HA   GLY  59          1HA       GLY  59   9.506  14.986  -4.840
  488    H    LYS  60           H        LYS  60   9.107  11.760  -3.433
  489    HA   LYS  60           HA       LYS  60  10.651  12.713  -1.117
  490   1HB   LYS  60          2HB       LYS  60   8.520  10.640  -1.537
  491   2HB   LYS  60          1HB       LYS  60   9.542  10.574  -0.114
  492   1HG   LYS  60          2HG       LYS  60   7.269  11.945  -0.073
  493   2HG   LYS  60          1HG       LYS  60   8.691  12.523   0.790
  494   1HD   LYS  60          2HD       LYS  60   9.271  13.972  -1.119
  495   2HD   LYS  60          1HD       LYS  60   7.860  13.387  -1.996
  496   1HE   LYS  60          2HE       LYS  60   6.740  15.109  -1.048
  497   2HE   LYS  60          1HE       LYS  60   6.803  14.171   0.444
  498   1HZ   LYS  60          1HZ       LYS  60   7.719  16.443   0.579
  499   2HZ   LYS  60          2HZ       LYS  60   8.928  15.988  -0.365
  500   3HZ   LYS  60          3HZ       LYS  60   8.731  15.303   1.067
  501    H    ALA  61           H        ALA  61  11.409  10.634   0.150
  502    HA   ALA  61           HA       ALA  61  13.836   9.811  -0.674
  503   1HB   ALA  61          1HB       ALA  61  11.956   7.810   0.578
  504   2HB   ALA  61          2HB       ALA  61  12.576   9.191   1.483
  505   3HB   ALA  61          3HB       ALA  61  13.692   7.990   0.833
  506    H    LYS  62           H        LYS  62  11.063   7.543  -1.140
  507    HA   LYS  62           HA       LYS  62  11.771   7.208  -3.895
  508   1HB   LYS  62          2HB       LYS  62  12.202   4.619  -3.296
  509   2HB   LYS  62          1HB       LYS  62  13.508   5.776  -3.486
  510   1HG   LYS  62          2HG       LYS  62  12.248   5.713  -0.807
  511   2HG   LYS  62          1HG       LYS  62  13.118   4.246  -1.247
  512   1HD   LYS  62          2HD       LYS  62  14.512   6.788  -1.817
  513   2HD   LYS  62          1HD       LYS  62  14.260   6.417  -0.110
  514   1HE   LYS  62          2HE       LYS  62  16.012   5.006  -0.213
  515   2HE   LYS  62          1HE       LYS  62  15.075   3.998  -1.316
  516   1HZ   LYS  62          1HZ       LYS  62  17.222   5.734  -1.891
  517   2HZ   LYS  62          2HZ       LYS  62  15.973   5.981  -2.859
  518   3HZ   LYS  62          3HZ       LYS  62  16.634   4.527  -2.764
  519    H    ILE  63           H        ILE  63   9.195   7.585  -2.362
  520    HA   ILE  63           HA       ILE  63   7.139   6.917  -3.104
  521    HB   ILE  63           HB       ILE  63   6.583   5.002  -4.165
  522   1HG1  ILE  63          2HG1      ILE  63   7.119   3.039  -3.155
  523   2HG1  ILE  63          1HG1      ILE  63   8.554   3.092  -4.157
  524   1HG2  ILE  63          1HG2      ILE  63   9.197   4.581  -5.301
  525   2HG2  ILE  63          2HG2      ILE  63   8.952   6.302  -4.987
  526   3HG2  ILE  63          3HG2      ILE  63   7.801   5.419  -5.985
  527   1HD1  ILE  63          1HD1      ILE  63   9.832   3.130  -2.341
  528   2HD1  ILE  63          2HD1      ILE  63   8.405   3.073  -1.333
  529   3HD1  ILE  63          3HD1      ILE  63   9.093   4.602  -1.788
  530    H    GLN  64           H        GLN  64   7.314   7.400  -0.626
  531    HA   GLN  64           HA       GLN  64   6.610   4.916   0.852
  532   1HB   GLN  64          2HB       GLN  64   7.453   5.872   2.811
  533   2HB   GLN  64          1HB       GLN  64   8.547   6.492   1.577
  534   1HG   GLN  64          2HG       GLN  64   6.696   8.425   1.488
  535   2HG   GLN  64          1HG       GLN  64   6.483   7.926   3.166
  536   1HE2  GLN  64          1HE2      GLN  64   9.434   8.150   1.102
  537   2HE2  GLN  64          2HE2      GLN  64  10.286   9.155   2.173
  538    H    LEU  65           H        LEU  65   4.582   4.655   1.714
  539    HA   LEU  65           HA       LEU  65   2.849   7.050   1.649
  540   1HB   LEU  65          2HB       LEU  65   0.967   5.673   1.019
  541   2HB   LEU  65          1HB       LEU  65   2.288   5.385  -0.096
  542    HG   LEU  65           HG       LEU  65   1.088   3.309   0.573
  543   1HD1  LEU  65          1HD1      LEU  65   2.977   2.170   0.249
  544   2HD1  LEU  65          2HD1      LEU  65   3.651   2.717   1.780
  545   3HD1  LEU  65          3HD1      LEU  65   3.815   3.718   0.337
  546   1HD2  LEU  65          1HD2      LEU  65   2.388   3.333   3.250
  547   2HD2  LEU  65          2HD2      LEU  65   0.930   2.503   2.715
  548   3HD2  LEU  65          3HD2      LEU  65   0.884   4.233   3.054
  549    H    GLN  66           H        GLN  66   1.047   7.035   3.223
  550    HA   GLN  66           HA       GLN  66   1.427   5.329   5.568
  551   1HB   GLN  66          2HB       GLN  66   2.755   7.727   5.502
  552   2HB   GLN  66          1HB       GLN  66   1.234   8.180   6.273
  553   1HG   GLN  66          2HG       GLN  66   1.512   6.366   7.916
  554   2HG   GLN  66          1HG       GLN  66   3.026   5.894   7.141
  555   1HE2  GLN  66          1HE2      GLN  66   2.651   6.916   9.929
  556   2HE2  GLN  66          2HE2      GLN  66   3.607   8.314  10.039
  557    H    LEU  67           H        LEU  67  -0.487   4.910   6.480
  558    HA   LEU  67           HA       LEU  67  -2.777   6.746   6.100
  559   1HB   LEU  67          2HB       LEU  67  -3.316   5.340   4.355
  560   2HB   LEU  67          1HB       LEU  67  -2.386   3.997   5.004
  561    HG   LEU  67           HG       LEU  67  -4.709   4.688   6.659
  562   1HD1  LEU  67          1HD1      LEU  67  -6.398   4.478   5.157
  563   2HD1  LEU  67          2HD1      LEU  67  -5.533   3.257   4.223
  564   3HD1  LEU  67          3HD1      LEU  67  -5.184   4.968   3.975
  565   1HD2  LEU  67          1HD2      LEU  67  -4.180   2.564   7.214
  566   2HD2  LEU  67          2HD2      LEU  67  -3.102   2.426   5.824
  567   3HD2  LEU  67          3HD2      LEU  67  -4.821   2.062   5.648
  568    H    VAL  68           H        VAL  68  -4.447   6.342   7.729
  569    HA   VAL  68           HA       VAL  68  -3.488   4.627   9.904
  570    HB   VAL  68           HB       VAL  68  -4.784   7.249  10.566
  571   1HG1  VAL  68          1HG1      VAL  68  -3.033   5.241  11.981
  572   2HG1  VAL  68          2HG1      VAL  68  -4.700   5.674  12.374
  573   3HG1  VAL  68          3HG1      VAL  68  -3.399   6.829  12.647
  574   1HG2  VAL  68          1HG2      VAL  68  -2.381   7.084   9.226
  575   2HG2  VAL  68          2HG2      VAL  68  -1.894   7.031  10.918
  576   3HG2  VAL  68          3HG2      VAL  68  -2.841   8.392  10.315
  577    H    LEU  69           H        LEU  69  -4.999   4.015  11.370
  578    HA   LEU  69           HA       LEU  69  -7.504   3.298  10.107
  579   1HB   LEU  69          2HB       LEU  69  -6.255   2.558  12.768
  580   2HB   LEU  69          1HB       LEU  69  -7.569   1.695  11.999
  581    HG   LEU  69           HG       LEU  69  -4.792   1.202  11.716
  582   1HD1  LEU  69          1HD1      LEU  69  -5.717  -0.242   9.699
  583   2HD1  LEU  69          2HD1      LEU  69  -7.262   0.167  10.464
  584   3HD1  LEU  69          3HD1      LEU  69  -6.016  -0.676  11.386
  585   1HD2  LEU  69          1HD2      LEU  69  -4.712   1.302   9.117
  586   2HD2  LEU  69          2HD2      LEU  69  -4.286   2.734  10.050
  587   3HD2  LEU  69          3HD2      LEU  69  -5.873   2.609   9.302
  588    H    HIS  70           H        HIS  70  -9.592   3.881  10.984
  589    HA   HIS  70           HA       HIS  70  -9.843   6.370  12.208
  590   1HB   HIS  70          2HB       HIS  70 -12.103   5.579  12.987
  591   2HB   HIS  70          1HB       HIS  70 -11.814   5.295  11.273
  592    HD1  HIS  70           HD1      HIS  70 -11.200   3.330  14.501
  593    HD2  HIS  70           HD2      HIS  70 -12.546   2.726  10.592
  594    HE1  HIS  70           HE1      HIS  70 -11.837   0.885  14.328
  595    H    ALA  71           H        ALA  71  -9.059   3.264  13.428
  596    HA   ALA  71           HA       ALA  71  -9.250   3.989  16.227
  597   1HB   ALA  71          1HB       ALA  71  -7.647   1.691  15.096
  598   2HB   ALA  71          2HB       ALA  71  -9.405   1.603  15.204
  599   3HB   ALA  71          3HB       ALA  71  -8.441   1.805  16.667
  600    H    GLY  72           H        GLY  72  -6.616   2.898  16.933
  601   1HA   GLY  72          2HA       GLY  72  -5.008   5.212  16.110
  602   2HA   GLY  72          1HA       GLY  72  -4.834   4.338  17.634
  603    H    ASP  73           H        ASP  73  -5.019   3.386  14.309
  604    HA   ASP  73           HA       ASP  73  -2.403   2.026  14.636
  605   1HB   ASP  73          2HB       ASP  73  -4.990   0.951  13.559
  606   2HB   ASP  73          1HB       ASP  73  -3.462   0.332  12.930
  607    H    THR  74           H        THR  74  -0.975   2.499  13.084
  608    HA   THR  74           HA       THR  74  -1.983   4.049  10.794
  609    HB   THR  74           HB       THR  74   0.917   3.934  11.434
  610    HG1  THR  74           HG1      THR  74   0.324   5.780  12.923
  611   1HG2  THR  74          1HG2      THR  74  -0.994   5.628  10.025
  612   2HG2  THR  74          2HG2      THR  74   0.758   5.531   9.850
  613   3HG2  THR  74          3HG2      THR  74   0.052   6.558  11.098
  614    H    THR  75           H        THR  75  -0.703   3.672   8.716
  615    HA   THR  75           HA       THR  75   0.295   0.923   8.600
  616    HB   THR  75           HB       THR  75  -1.298   2.136   6.352
  617    HG1  THR  75           HG1      THR  75  -2.238   1.071   8.762
  618   1HG2  THR  75          1HG2      THR  75   0.147  -0.104   6.457
  619   2HG2  THR  75          2HG2      THR  75  -1.360  -0.022   5.545
  620   3HG2  THR  75          3HG2      THR  75  -1.343  -0.736   7.157
  621    H    ASN  76           H        ASN  76   2.473   1.440   8.183
  622    HA   ASN  76           HA       ASN  76   2.937   3.632   6.254
  623   1HB   ASN  76          2HB       ASN  76   4.803   2.453   8.339
  624   2HB   ASN  76          1HB       ASN  76   5.175   3.798   7.262
  625   1HD2  ASN  76          1HD2      ASN  76   2.531   2.913   9.575
  626   2HD2  ASN  76          2HD2      ASN  76   2.414   4.464  10.252
  627    H    PHE  77           H        PHE  77   4.066   3.063   4.352
  628    HA   PHE  77           HA       PHE  77   5.374   0.449   4.394
  629   1HB   PHE  77          2HB       PHE  77   2.755   0.830   3.307
  630   2HB   PHE  77          1HB       PHE  77   3.879   0.483   2.004
  631    HD1  PHE  77           HD1      PHE  77   5.789  -1.305   2.909
  632    HD2  PHE  77           HD2      PHE  77   1.669  -1.113   4.100
  633    HE1  PHE  77           HE1      PHE  77   5.855  -3.692   3.520
  634    HE2  PHE  77           HE2      PHE  77   1.736  -3.506   4.692
  635    HZ   PHE  77           HZ       PHE  77   3.850  -4.782   4.380
  636    H    HIS  78           H        HIS  78   6.854   0.177   2.845
  637    HA   HIS  78           HA       HIS  78   7.309   2.395   0.943
  638   1HB   HIS  78          2HB       HIS  78   8.754   2.697   3.013
  639   2HB   HIS  78          1HB       HIS  78   9.588   1.205   2.570
  640    HD1  HIS  78           HD1      HIS  78  10.822   1.183   0.244
  641    HD2  HIS  78           HD2      HIS  78   9.526   4.969   1.406
  642    HE1  HIS  78           HE1      HIS  78  11.877   2.856  -1.318
  643    H    PHE  79           H        PHE  79   8.842   1.811  -0.677
  644    HA   PHE  79           HA       PHE  79   9.094  -1.076  -1.310
  645   1HB   PHE  79          2HB       PHE  79   8.422   1.075  -3.321
  646   2HB   PHE  79          1HB       PHE  79   8.375  -0.662  -3.549
  647    HD1  PHE  79           HD1      PHE  79   6.776   2.093  -1.554
  648    HD2  PHE  79           HD2      PHE  79   6.349  -1.792  -3.334
  649    HE1  PHE  79           HE1      PHE  79   4.342   2.106  -1.017
  650    HE2  PHE  79           HE2      PHE  79   3.950  -1.790  -2.749
  651    HZ   PHE  79           HZ       PHE  79   2.950   0.141  -1.611
  652    H    SER  80           H        SER  80  11.428  -1.439  -2.232
  653    HA   SER  80           HA       SER  80  12.483   0.545  -3.754
  654   1HB   SER  80          2HB       SER  80  13.095   2.143  -2.343
  655   2HB   SER  80          1HB       SER  80  12.749   1.134  -0.936
  656    HG   SER  80           HG       SER  80  15.122   1.561  -2.304
  657    H    ASN  81           H        ASN  81  14.555   0.082  -4.462
  658    HA   ASN  81           HA       ASN  81  15.962  -2.197  -3.348
  659   1HB   ASN  81          2HB       ASN  81  14.471  -2.248  -5.940
  660   2HB   ASN  81          1HB       ASN  81  16.049  -3.036  -5.879
  661   1HD2  ASN  81          1HD2      ASN  81  12.939  -2.915  -4.066
  662   2HD2  ASN  81          2HD2      ASN  81  13.010  -4.526  -3.546
  663    H    GLU  82           H        GLU  82  18.017  -2.483  -4.903
  664    HA   GLU  82           HA       GLU  82  19.123   0.192  -5.138
  665   1HB   GLU  82          2HB       GLU  82  20.293  -2.065  -4.389
  666   2HB   GLU  82          1HB       GLU  82  20.527  -2.267  -6.126
  667   1HG   GLU  82          2HG       GLU  82  21.163   0.444  -5.300
  668   2HG   GLU  82          1HG       GLU  82  22.116  -0.734  -4.397
  669    H    SER  83           H        SER  83  17.038  -1.422  -7.022
  670    HA   SER  83           HA       SER  83  18.014  -0.101  -9.435
  671   1HB   SER  83          2HB       SER  83  18.455  -2.827  -8.978
  672   2HB   SER  83          1HB       SER  83  17.080  -2.753 -10.075
  673    HG   SER  83           HG       SER  83  19.674  -1.658 -10.384
  674    H    THR  84           H        THR  84  15.414  -1.901  -7.789
  675    HA   THR  84           HA       THR  84  13.564  -1.241  -9.922
  676    HB   THR  84           HB       THR  84  13.367  -2.771  -7.330
  677    HG1  THR  84           HG1      THR  84  13.937  -4.217  -8.723
  678   1HG2  THR  84          1HG2      THR  84  11.014  -3.209  -8.753
  679   2HG2  THR  84          2HG2      THR  84  11.238  -1.464  -8.808
  680   3HG2  THR  84          3HG2      THR  84  11.175  -2.291  -7.256
  681    H    ALA  85           H        ALA  85  14.213  -0.024  -6.652
  682    HA   ALA  85           HA       ALA  85  11.935   1.286  -5.996
  683   1HB   ALA  85          1HB       ALA  85  13.393   1.900  -4.373
  684   2HB   ALA  85          2HB       ALA  85  13.948   3.166  -5.459
  685   3HB   ALA  85          3HB       ALA  85  14.772   1.610  -5.431
  686    H    VAL  86           H        VAL  86  11.047   1.840  -8.112
  687    HA   VAL  86           HA       VAL  86  11.565   4.635  -8.678
  688    HB   VAL  86           HB       VAL  86  11.575   2.806 -11.062
  689   1HG1  VAL  86          1HG1      VAL  86  11.340   5.380 -11.090
  690   2HG1  VAL  86          2HG1      VAL  86  12.557   4.665 -12.147
  691   3HG1  VAL  86          3HG1      VAL  86  13.040   5.408 -10.622
  692   1HG2  VAL  86          1HG2      VAL  86  13.358   1.988  -9.533
  693   2HG2  VAL  86          2HG2      VAL  86  14.015   3.623  -9.449
  694   3HG2  VAL  86          3HG2      VAL  86  14.030   2.744 -10.978
  695    H    LYS  87           H        LYS  87  10.132   3.956 -11.393
  696    HA   LYS  87           HA       LYS  87   7.630   4.904 -10.767
  697   1HB   LYS  87          2HB       LYS  87   8.957   3.784 -13.053
  698   2HB   LYS  87          1HB       LYS  87   7.311   3.155 -12.966
  699   1HG   LYS  87          2HG       LYS  87   6.862   5.768 -12.369
  700   2HG   LYS  87          1HG       LYS  87   8.253   5.923 -13.442
  701   1HD   LYS  87          2HD       LYS  87   7.119   4.686 -15.191
  702   2HD   LYS  87          1HD       LYS  87   5.771   4.319 -14.114
  703   1HE   LYS  87          2HE       LYS  87   4.932   6.479 -14.201
  704   2HE   LYS  87          1HE       LYS  87   6.509   7.189 -14.547
  705   1HZ   LYS  87          1HZ       LYS  87   4.885   7.042 -16.425
  706   2HZ   LYS  87          2HZ       LYS  87   5.166   5.467 -16.461
  707   3HZ   LYS  87          3HZ       LYS  87   6.360   6.498 -16.730
  708    H    GLU  88           H        GLU  88   8.614   1.473 -10.980
  709    HA   GLU  88           HA       GLU  88   6.282   0.110 -10.853
  710   1HB   GLU  88          2HB       GLU  88   7.572  -1.202  -8.881
  711   2HB   GLU  88          1HB       GLU  88   8.073  -1.318 -10.560
  712   1HG   GLU  88          2HG       GLU  88   9.222   1.002  -9.177
  713   2HG   GLU  88          1HG       GLU  88   9.707  -0.546  -8.491
  714    H    ARG  89           H        ARG  89   7.859   0.868  -7.824
  715    HA   ARG  89           HA       ARG  89   5.619   0.635  -6.172
  716   1HB   ARG  89          2HB       ARG  89   7.889   2.542  -5.658
  717   2HB   ARG  89          1HB       ARG  89   7.027   1.532  -4.494
  718   1HG   ARG  89          2HG       ARG  89   9.053   0.669  -6.577
  719   2HG   ARG  89          1HG       ARG  89   9.143   0.437  -4.846
  720   1HD   ARG  89          2HD       ARG  89   7.296  -1.155  -4.904
  721   2HD   ARG  89          1HD       ARG  89   7.017  -0.820  -6.606
  722    HE   ARG  89           HE       ARG  89   9.618  -1.639  -6.527
  723   1HH1  ARG  89          1HH2      ARG  89   6.596  -2.837  -5.358
  724   2HH1  ARG  89          2HH2      ARG  89   7.031  -4.500  -5.561
  725   1HH2  ARG  89          1HH1      ARG  89  10.191  -3.811  -6.800
  726   2HH2  ARG  89          2HH1      ARG  89   9.057  -5.050  -6.379
  727    H    ASP  90           H        ASP  90   7.083   3.342  -7.793
  728    HA   ASP  90           HA       ASP  90   5.375   5.403  -6.889
  729   1HB   ASP  90          2HB       ASP  90   7.515   5.322  -8.574
  730   2HB   ASP  90          1HB       ASP  90   6.200   5.552  -9.727
  731    H    ALA  91           H        ALA  91   4.645   2.662  -8.774
  732    HA   ALA  91           HA       ALA  91   2.366   3.950 -10.091
  733   1HB   ALA  91          1HB       ALA  91   3.008   1.019 -10.247
  734   2HB   ALA  91          2HB       ALA  91   3.987   2.172 -11.153
  735   3HB   ALA  91          3HB       ALA  91   2.254   2.056 -11.457
  736    H    VAL  92           H        VAL  92   3.211   1.556  -7.601
  737    HA   VAL  92           HA       VAL  92   0.493   0.790  -7.095
  738    HB   VAL  92           HB       VAL  92   2.856  -0.197  -6.292
  739   1HG1  VAL  92          1HG1      VAL  92   3.161   0.278  -3.893
  740   2HG1  VAL  92          2HG1      VAL  92   1.967   1.563  -4.005
  741   3HG1  VAL  92          3HG1      VAL  92   3.485   1.681  -4.897
  742   1HG2  VAL  92          1HG2      VAL  92   1.236  -0.890  -4.141
  743   2HG2  VAL  92          2HG2      VAL  92   1.279  -1.705  -5.706
  744   3HG2  VAL  92          3HG2      VAL  92   0.087  -0.442  -5.402
  745    H    LYS  93           H        LYS  93   2.728   3.227  -5.945
  746    HA   LYS  93           HA       LYS  93   0.957   4.430  -4.043
  747   1HB   LYS  93          2HB       LYS  93   3.205   5.020  -3.731
  748   2HB   LYS  93          1HB       LYS  93   3.499   5.222  -5.454
  749   1HG   LYS  93          2HG       LYS  93   1.854   7.224  -5.302
  750   2HG   LYS  93          1HG       LYS  93   2.088   7.102  -3.558
  751   1HD   LYS  93          2HD       LYS  93   3.786   8.582  -4.099
  752   2HD   LYS  93          1HD       LYS  93   4.646   7.049  -4.240
  753   1HE   LYS  93          2HE       LYS  93   5.089   7.523  -6.394
  754   2HE   LYS  93          1HE       LYS  93   3.358   7.501  -6.730
  755   1HZ   LYS  93          1HZ       LYS  93   3.767   9.870  -5.567
  756   2HZ   LYS  93          2HZ       LYS  93   3.635   9.634  -7.144
  757   3HZ   LYS  93          3HZ       LYS  93   5.082   9.714  -6.466
  758    H    ASP  94           H        ASP  94   1.725   4.892  -7.500
  759    HA   ASP  94           HA       ASP  94   0.183   7.179  -8.024
  760   1HB   ASP  94          2HB       ASP  94   1.719   6.127  -9.675
  761   2HB   ASP  94          1HB       ASP  94   0.604   4.768  -9.822
  762    H    LEU  95           H        LEU  95  -0.744   3.937  -7.263
  763    HA   LEU  95           HA       LEU  95  -3.508   4.414  -8.151
  764   1HB   LEU  95          2HB       LEU  95  -1.976   2.064  -7.084
  765   2HB   LEU  95          1HB       LEU  95  -3.730   2.084  -6.906
  766    HG   LEU  95           HG       LEU  95  -3.200   0.968  -8.986
  767   1HD1  LEU  95          1HD1      LEU  95  -3.970   3.716  -9.914
  768   2HD1  LEU  95          2HD1      LEU  95  -5.039   2.841  -8.818
  769   3HD1  LEU  95          3HD1      LEU  95  -4.634   2.153 -10.390
  770   1HD2  LEU  95          1HD2      LEU  95  -0.990   1.739  -9.455
  771   2HD2  LEU  95          2HD2      LEU  95  -1.508   3.424  -9.485
  772   3HD2  LEU  95          3HD2      LEU  95  -1.989   2.331 -10.782
  773    H    LEU  96           H        LEU  96  -1.668   3.874  -5.147
  774    HA   LEU  96           HA       LEU  96  -3.463   3.847  -3.153
  775   1HB   LEU  96          2HB       LEU  96  -0.989   5.559  -3.430
  776   2HB   LEU  96          1HB       LEU  96  -1.894   5.463  -1.926
  777    HG   LEU  96           HG       LEU  96  -0.406   3.249  -3.357
  778   1HD1  LEU  96          1HD1      LEU  96  -0.369   4.076  -0.455
  779   2HD1  LEU  96          2HD1      LEU  96   0.678   4.821  -1.662
  780   3HD1  LEU  96          3HD1      LEU  96   0.811   3.095  -1.324
  781   1HD2  LEU  96          1HD2      LEU  96  -2.560   2.300  -2.759
  782   2HD2  LEU  96          2HD2      LEU  96  -2.496   3.050  -1.165
  783   3HD2  LEU  96          3HD2      LEU  96  -1.376   1.750  -1.575
  784    H    GLN  97           H        GLN  97  -2.203   6.988  -4.172
  785    HA   GLN  97           HA       GLN  97  -4.226   8.558  -2.981
  786   1HB   GLN  97          2HB       GLN  97  -3.482  10.362  -4.319
  787   2HB   GLN  97          1HB       GLN  97  -2.050   9.429  -3.920
  788   1HG   GLN  97          2HG       GLN  97  -3.619   9.118  -6.498
  789   2HG   GLN  97          1HG       GLN  97  -2.208  10.158  -6.338
  790   1HE2  GLN  97          1HE2      GLN  97  -3.279   6.809  -6.101
  791   2HE2  GLN  97          2HE2      GLN  97  -1.754   6.116  -6.166
  792    H    GLN  98           H        GLN  98  -4.744   6.411  -5.392
  793    HA   GLN  98           HA       GLN  98  -6.790   8.007  -6.717
  794   1HB   GLN  98          2HB       GLN  98  -4.949   6.355  -7.834
  795   2HB   GLN  98          1HB       GLN  98  -6.279   5.222  -7.595
  796   1HG   GLN  98          2HG       GLN  98  -7.555   7.468  -8.593
  797   2HG   GLN  98          1HG       GLN  98  -6.042   7.434  -9.501
  798   1HE2  GLN  98          1HE2      GLN  98  -5.630   5.566 -10.887
  799   2HE2  GLN  98          2HE2      GLN  98  -6.867   4.477 -11.292
  800    H    LEU  99           H        LEU  99  -6.246   5.262  -4.605
  801    HA   LEU  99           HA       LEU  99  -9.065   4.459  -4.737
  802   1HB   LEU  99          2HB       LEU  99  -7.347   3.438  -2.545
  803   2HB   LEU  99          1HB       LEU  99  -8.467   2.563  -3.579
  804    HG   LEU  99           HG       LEU  99  -6.224   3.551  -5.140
  805   1HD1  LEU  99          1HD1      LEU  99  -4.410   2.553  -4.045
  806   2HD1  LEU  99          2HD1      LEU  99  -5.457   1.579  -3.013
  807   3HD1  LEU  99          3HD1      LEU  99  -5.292   3.311  -2.716
  808   1HD2  LEU  99          1HD2      LEU  99  -7.247   1.725  -6.090
  809   2HD2  LEU  99          2HD2      LEU  99  -7.619   0.995  -4.528
  810   3HD2  LEU  99          3HD2      LEU  99  -5.983   0.895  -5.181
  811    H    LEU 100           H        LEU 100  -6.862   6.151  -2.586
  812    HA   LEU 100           HA       LEU 100  -8.208   6.282  -0.239
  813   1HB   LEU 100          2HB       LEU 100  -6.220   7.499  -0.239
  814   2HB   LEU 100          1HB       LEU 100  -6.594   8.320  -1.749
  815    HG   LEU 100           HG       LEU 100  -8.372   8.839   0.599
  816   1HD1  LEU 100          1HD1      LEU 100  -6.117  10.690   0.443
  817   2HD1  LEU 100          2HD1      LEU 100  -5.615   9.059   0.886
  818   3HD1  LEU 100          3HD1      LEU 100  -6.825   9.903   1.853
  819   1HD2  LEU 100          1HD2      LEU 100  -8.200  11.169  -0.451
  820   2HD2  LEU 100          2HD2      LEU 100  -8.971   9.933  -1.444
  821   3HD2  LEU 100          3HD2      LEU 100  -7.301  10.404  -1.761
  822    HA   PRO 101           HA       PRO 101 -11.010   9.678  -2.337
  823   1HB   PRO 101          2HB       PRO 101 -11.030   8.402  -5.020
  824   2HB   PRO 101          1HB       PRO 101 -11.052  10.125  -4.607
  825   1HG   PRO 101          2HG       PRO 101  -8.842   8.774  -5.559
  826   2HG   PRO 101          1HG       PRO 101  -8.753  10.249  -4.581
  827   1HD   PRO 101          2HD       PRO 101  -8.016   7.532  -3.844
  828   2HD   PRO 101          1HD       PRO 101  -7.726   9.041  -2.964
  829    H    LYS 102           H        LYS 102 -10.907   6.346  -3.479
  830    HA   LYS 102           HA       LYS 102 -13.543   5.714  -3.895
  831   1HB   LYS 102          2HB       LYS 102 -11.640   4.166  -4.184
  832   2HB   LYS 102          1HB       LYS 102 -11.461   4.086  -2.429
  833   1HG   LYS 102          2HG       LYS 102 -13.086   2.563  -2.239
  834   2HG   LYS 102          1HG       LYS 102 -14.192   3.515  -3.235
  835   1HD   LYS 102          2HD       LYS 102 -12.529   2.658  -5.165
  836   2HD   LYS 102          1HD       LYS 102 -12.325   1.329  -4.023
  837   1HE   LYS 102          2HE       LYS 102 -15.015   1.567  -3.950
  838   2HE   LYS 102          1HE       LYS 102 -14.719   2.122  -5.597
  839   1HZ   LYS 102          1HZ       LYS 102 -13.355   0.080  -5.819
  840   2HZ   LYS 102          2HZ       LYS 102 -14.929  -0.177  -5.692
  841   3HZ   LYS 102          3HZ       LYS 102 -13.972  -0.438  -4.435
  842    H    PHE 103           H        PHE 103 -11.841   5.591  -0.769
  843    HA   PHE 103           HA       PHE 103 -14.485   5.446   0.549
  844   1HB   PHE 103          2HB       PHE 103 -12.889   4.583   2.495
  845   2HB   PHE 103          1HB       PHE 103 -13.392   3.482   1.207
  846    HD1  PHE 103           HD1      PHE 103 -11.909   3.017  -0.701
  847    HD2  PHE 103           HD2      PHE 103 -10.614   5.393   2.632
  848    HE1  PHE 103           HE1      PHE 103  -9.576   2.827  -1.482
  849    HE2  PHE 103           HE2      PHE 103  -8.265   5.196   1.860
  850    HZ   PHE 103           HZ       PHE 103  -7.746   3.919  -0.202
  851    H    LYS 104           H        LYS 104 -12.063   7.582  -0.137
  852    HA   LYS 104           HA       LYS 104 -12.812   9.264   2.134
  853   1HB   LYS 104          2HB       LYS 104  -9.957   8.460   1.507
  854   2HB   LYS 104          1HB       LYS 104 -10.395   9.796   2.570
  855   1HG   LYS 104          2HG       LYS 104 -11.348   8.361   4.180
  856   2HG   LYS 104          1HG       LYS 104 -11.488   7.026   3.037
  857   1HD   LYS 104          2HD       LYS 104  -9.607   6.347   4.192
  858   2HD   LYS 104          1HD       LYS 104  -8.849   7.304   2.918
  859   1HE   LYS 104          2HE       LYS 104  -9.628   9.049   5.064
  860   2HE   LYS 104          1HE       LYS 104  -8.683   7.713   5.718
  861   1HZ   LYS 104          1HZ       LYS 104  -7.052   9.082   5.037
  862   2HZ   LYS 104          2HZ       LYS 104  -7.888   9.735   3.840
  863   3HZ   LYS 104          3HZ       LYS 104  -7.240   8.283   3.663
  864    H    ARG 105           H        ARG 105 -13.711  10.801   0.719
  865    HA   ARG 105           HA       ARG 105 -11.858  11.869  -1.328
  866   1HB   ARG 105          2HB       ARG 105 -14.322  10.855  -1.791
  867   2HB   ARG 105          1HB       ARG 105 -14.750  12.532  -1.446
  868   1HG   ARG 105          2HG       ARG 105 -13.085  13.285  -3.126
  869   2HG   ARG 105          1HG       ARG 105 -12.724  11.599  -3.501
  870   1HD   ARG 105          2HD       ARG 105 -15.420  11.561  -3.756
  871   2HD   ARG 105          1HD       ARG 105 -15.096  13.231  -4.223
  872    HE   ARG 105           HE       ARG 105 -13.257  11.792  -5.642
  873   1HH1  ARG 105          1HH2      ARG 105 -16.678  11.686  -5.159
  874   2HH1  ARG 105          2HH2      ARG 105 -17.009  11.064  -6.741
  875   1HH2  ARG 105          1HH1      ARG 105 -13.682  10.982  -7.705
  876   2HH2  ARG 105          2HH1      ARG 105 -15.317  10.666  -8.179
  877    H    LYS 106           H        LYS 106 -14.575  12.925   0.764
  878    HA   LYS 106           HA       LYS 106 -13.472  15.625   0.777
  879   1HB   LYS 106          2HB       LYS 106 -15.481  16.195   2.043
  880   2HB   LYS 106          1HB       LYS 106 -15.930  15.227   0.638
  881   1HG   LYS 106          2HG       LYS 106 -15.521  13.250   2.440
  882   2HG   LYS 106          1HG       LYS 106 -16.046  14.539   3.524
  883   1HD   LYS 106          2HD       LYS 106 -18.121  14.791   2.396
  884   2HD   LYS 106          1HD       LYS 106 -17.563  13.868   1.000
  885   1HE   LYS 106          2HE       LYS 106 -17.368  12.348   3.490
  886   2HE   LYS 106          1HE       LYS 106 -19.021  12.849   3.134
  887   1HZ   LYS 106          1HZ       LYS 106 -19.030  11.192   1.710
  888   2HZ   LYS 106          2HZ       LYS 106 -17.458  10.923   1.836
  889   3HZ   LYS 106          3HZ       LYS 106 -18.003  12.000   0.786
  890    H    ALA 107           H        ALA 107 -12.318  16.485   2.470
  891    HA   ALA 107           HA       ALA 107 -11.527  14.643   4.590
  892   1HB   ALA 107          1HB       ALA 107 -10.183  16.846   5.217
  893   2HB   ALA 107          2HB       ALA 107 -10.574  17.284   3.554
  894   3HB   ALA 107          3HB       ALA 107  -9.657  15.815   3.886
  895    H    ASN 108           H        ASN 108 -13.898  17.023   4.086
  896    HA   ASN 108           HA       ASN 108 -14.424  17.065   6.983
  897   1HB   ASN 108          2HB       ASN 108 -13.427  19.275   5.512
  898   2HB   ASN 108          1HB       ASN 108 -15.132  19.601   5.825
  899   1HD2  ASN 108          1HD2      ASN 108 -14.435  21.288   7.403
  900   2HD2  ASN 108          2HD2      ASN 108 -13.896  20.828   8.946
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -20.366  -7.372 -14.232
    2   2H    MET   1          2H        MET   1 -19.192  -7.417 -13.146
    3   3H    MET   1          3H        MET   1 -20.230  -6.199 -13.151
    4    HA   MET   1           HA       MET   1 -20.702  -7.736 -11.358
    5   1HB   MET   1          2HB       MET   1 -22.710  -7.454 -13.610
    6   2HB   MET   1          1HB       MET   1 -23.122  -8.102 -12.022
    7   1HG   MET   1          2HG       MET   1 -21.995  -5.910 -11.128
    8   2HG   MET   1          1HG       MET   1 -22.283  -5.313 -12.762
    9   1HE   MET   1          1HE       MET   1 -24.944  -4.635 -13.648
   10   2HE   MET   1          2HE       MET   1 -25.991  -6.009 -13.304
   11   3HE   MET   1          3HE       MET   1 -24.365  -6.284 -13.922
   12    H    ALA   2           H        ALA   2 -19.206  -9.586 -11.700
   13    HA   ALA   2           HA       ALA   2 -20.677 -11.868 -12.868
   14   1HB   ALA   2          1HB       ALA   2 -18.269 -12.714 -13.430
   15   2HB   ALA   2          2HB       ALA   2 -17.833 -11.008 -13.331
   16   3HB   ALA   2          3HB       ALA   2 -19.034 -11.544 -14.506
   17    H    THR   3           H        THR   3 -17.481 -11.676 -11.322
   18    HA   THR   3           HA       THR   3 -18.231 -13.792  -9.507
   19    HB   THR   3           HB       THR   3 -15.944 -13.669 -10.367
   20    HG1  THR   3           HG1      THR   3 -16.396 -14.362  -8.158
   21   1HG2  THR   3          1HG2      THR   3 -16.207 -10.879  -9.398
   22   2HG2  THR   3          2HG2      THR   3 -15.297 -11.515 -10.769
   23   3HG2  THR   3          3HG2      THR   3 -14.638 -11.642  -9.138
   24    H    SER   4           H        SER   4 -18.507 -13.582  -7.242
   25    HA   SER   4           HA       SER   4 -19.423 -10.943  -6.414
   26   1HB   SER   4          2HB       SER   4 -19.364 -13.088  -4.407
   27   2HB   SER   4          1HB       SER   4 -20.704 -12.069  -4.924
   28    HG   SER   4           HG       SER   4 -21.301 -13.586  -6.249
   29    H    SER   5           H        SER   5 -16.798 -13.211  -5.685
   30    HA   SER   5           HA       SER   5 -15.794 -12.010  -3.379
   31   1HB   SER   5          2HB       SER   5 -13.627 -12.758  -5.116
   32   2HB   SER   5          1HB       SER   5 -14.210 -13.575  -3.670
   33    HG   SER   5           HG       SER   5 -14.878 -13.965  -6.365
   34    H    GLU   6           H        GLU   6 -13.226 -11.070  -3.938
   35    HA   GLU   6           HA       GLU   6 -13.754  -8.694  -5.609
   36   1HB   GLU   6          2HB       GLU   6 -11.855  -8.711  -3.277
   37   2HB   GLU   6          1HB       GLU   6 -12.524  -7.327  -4.130
   38   1HG   GLU   6          2HG       GLU   6 -13.771  -7.417  -2.121
   39   2HG   GLU   6          1HG       GLU   6 -14.816  -8.153  -3.336
   40    H    GLU   7           H        GLU   7 -11.747  -7.969  -6.769
   41    HA   GLU   7           HA       GLU   7  -9.904 -10.225  -7.116
   42   1HB   GLU   7          2HB       GLU   7 -10.085  -7.807  -8.902
   43   2HB   GLU   7          1HB       GLU   7  -9.559  -9.442  -9.303
   44   1HG   GLU   7          2HG       GLU   7 -12.112  -9.934  -8.506
   45   2HG   GLU   7          1HG       GLU   7 -12.296  -8.316  -9.184
   46    H    VAL   8           H        VAL   8  -7.539  -9.507  -7.423
   47    HA   VAL   8           HA       VAL   8  -7.004  -7.403  -5.454
   48    HB   VAL   8           HB       VAL   8  -4.921  -8.440  -5.117
   49   1HG1  VAL   8          1HG1      VAL   8  -5.796 -10.325  -4.257
   50   2HG1  VAL   8          2HG1      VAL   8  -5.927 -11.033  -5.866
   51   3HG1  VAL   8          3HG1      VAL   8  -7.246 -10.056  -5.223
   52   1HG2  VAL   8          1HG2      VAL   8  -4.452 -10.383  -7.004
   53   2HG2  VAL   8          2HG2      VAL   8  -3.754  -8.763  -7.049
   54   3HG2  VAL   8          3HG2      VAL   8  -5.211  -9.122  -7.977
   55    H    LEU   9           H        LEU   9  -5.418  -5.767  -5.940
   56    HA   LEU   9           HA       LEU   9  -5.566  -5.018  -8.771
   57   1HB   LEU   9          2HB       LEU   9  -6.385  -3.331  -7.316
   58   2HB   LEU   9          1HB       LEU   9  -4.983  -3.459  -6.255
   59    HG   LEU   9           HG       LEU   9  -3.529  -2.538  -7.948
   60   1HD1  LEU   9          1HD1      LEU   9  -5.970  -2.756  -9.730
   61   2HD1  LEU   9          2HD1      LEU   9  -4.424  -3.578  -9.931
   62   3HD1  LEU   9          3HD1      LEU   9  -4.531  -1.834 -10.164
   63   1HD2  LEU   9          1HD2      LEU   9  -4.325  -0.603  -7.059
   64   2HD2  LEU   9          2HD2      LEU   9  -5.999  -1.151  -7.144
   65   3HD2  LEU   9          3HD2      LEU   9  -5.226  -0.455  -8.568
   66    H    LEU  10           H        LEU  10  -2.914  -4.964  -6.214
   67    HA   LEU  10           HA       LEU  10  -1.141  -5.806  -8.378
   68   1HB   LEU  10          2HB       LEU  10  -1.503  -3.041  -7.846
   69   2HB   LEU  10          1HB       LEU  10   0.111  -3.485  -7.302
   70    HG   LEU  10           HG       LEU  10  -0.226  -4.830  -9.741
   71   1HD1  LEU  10          1HD1      LEU  10  -2.082  -2.770  -9.725
   72   2HD1  LEU  10          2HD1      LEU  10  -1.411  -3.532 -11.167
   73   3HD1  LEU  10          3HD1      LEU  10  -0.692  -2.049 -10.537
   74   1HD2  LEU  10          1HD2      LEU  10   1.308  -2.726 -10.427
   75   2HD2  LEU  10          2HD2      LEU  10   1.904  -4.026  -9.395
   76   3HD2  LEU  10          3HD2      LEU  10   1.330  -2.521  -8.676
   77    H    ILE  11           H        ILE  11   1.096  -6.073  -7.664
   78    HA   ILE  11           HA       ILE  11   1.423  -6.286  -4.746
   79    HB   ILE  11           HB       ILE  11   0.721  -8.500  -5.445
   80   1HG1  ILE  11          2HG1      ILE  11   3.622  -8.065  -4.787
   81   2HG1  ILE  11          1HG1      ILE  11   2.349  -8.741  -3.786
   82   1HG2  ILE  11          1HG2      ILE  11   3.036  -8.580  -7.375
   83   2HG2  ILE  11          2HG2      ILE  11   1.443  -8.017  -7.880
   84   3HG2  ILE  11          3HG2      ILE  11   1.648  -9.664  -7.283
   85   1HD1  ILE  11          1HD1      ILE  11   2.370 -10.592  -5.737
   86   2HD1  ILE  11          2HD1      ILE  11   3.414 -10.701  -4.320
   87   3HD1  ILE  11          3HD1      ILE  11   4.050 -10.064  -5.836
   88    H    VAL  12           H        VAL  12   3.523  -5.973  -4.081
   89    HA   VAL  12           HA       VAL  12   5.562  -5.584  -6.193
   90    HB   VAL  12           HB       VAL  12   6.532  -3.918  -4.401
   91   1HG1  VAL  12          1HG1      VAL  12   4.065  -2.971  -5.841
   92   2HG1  VAL  12          2HG1      VAL  12   5.460  -3.538  -6.757
   93   3HG1  VAL  12          3HG1      VAL  12   5.623  -2.162  -5.665
   94   1HG2  VAL  12          1HG2      VAL  12   5.144  -3.204  -2.747
   95   2HG2  VAL  12          2HG2      VAL  12   4.269  -4.701  -3.039
   96   3HG2  VAL  12          3HG2      VAL  12   3.735  -3.207  -3.803
   97    H    LYS  13           H        LYS  13   7.335  -6.902  -5.848
   98    HA   LYS  13           HA       LYS  13   7.217  -8.847  -3.870
   99   1HB   LYS  13          2HB       LYS  13   9.772  -9.063  -4.446
  100   2HB   LYS  13          1HB       LYS  13   8.551  -9.484  -5.643
  101   1HG   LYS  13          2HG       LYS  13   8.913  -7.565  -6.896
  102   2HG   LYS  13          1HG       LYS  13   9.508  -6.649  -5.511
  103   1HD   LYS  13          2HD       LYS  13  11.641  -7.267  -5.910
  104   2HD   LYS  13          1HD       LYS  13  11.187  -8.963  -6.077
  105   1HE   LYS  13          2HE       LYS  13  10.172  -7.595  -8.355
  106   2HE   LYS  13          1HE       LYS  13  11.847  -7.087  -8.144
  107   1HZ   LYS  13          1HZ       LYS  13  12.542  -9.106  -8.661
  108   2HZ   LYS  13          2HZ       LYS  13  11.086  -9.371  -9.268
  109   3HZ   LYS  13          3HZ       LYS  13  11.435  -9.862  -7.786
  110    H    LYS  14           H        LYS  14  10.157  -6.814  -3.740
  111    HA   LYS  14           HA       LYS  14   9.714  -7.130  -0.883
  112   1HB   LYS  14          2HB       LYS  14  12.014  -7.160  -2.680
  113   2HB   LYS  14          1HB       LYS  14  12.294  -6.262  -1.187
  114   1HG   LYS  14          2HG       LYS  14  11.323  -9.125  -1.416
  115   2HG   LYS  14          1HG       LYS  14  12.874  -8.579  -0.782
  116   1HD   LYS  14          2HD       LYS  14  11.159  -7.134   0.768
  117   2HD   LYS  14          1HD       LYS  14  10.221  -8.607   0.515
  118   1HE   LYS  14          2HE       LYS  14  13.124  -8.737   1.319
  119   2HE   LYS  14          1HE       LYS  14  11.853  -8.550   2.528
  120   1HZ   LYS  14          1HZ       LYS  14  10.875 -10.520   1.187
  121   2HZ   LYS  14          2HZ       LYS  14  11.941 -10.777   2.353
  122   3HZ   LYS  14          3HZ       LYS  14  12.410 -10.795   0.823
  123    H    VAL  15           H        VAL  15   8.592  -5.377  -0.133
  124    HA   VAL  15           HA       VAL  15   9.546  -2.697  -0.668
  125    HB   VAL  15           HB       VAL  15   7.099  -3.860   0.731
  126   1HG1  VAL  15          1HG1      VAL  15   7.583  -1.660   1.640
  127   2HG1  VAL  15          2HG1      VAL  15   6.205  -1.530   0.550
  128   3HG1  VAL  15          3HG1      VAL  15   7.800  -0.998   0.019
  129   1HG2  VAL  15          1HG2      VAL  15   6.397  -4.179  -1.385
  130   2HG2  VAL  15          2HG2      VAL  15   7.753  -3.266  -2.051
  131   3HG2  VAL  15          3HG2      VAL  15   6.303  -2.422  -1.503
  132    H    ARG  16           H        ARG  16   9.495  -1.288   1.448
  133    HA   ARG  16           HA       ARG  16  10.733  -2.822   3.641
  134   1HB   ARG  16          2HB       ARG  16  12.427  -1.485   2.474
  135   2HB   ARG  16          1HB       ARG  16  11.338  -0.117   2.367
  136   1HG   ARG  16          2HG       ARG  16  12.438   0.593   4.220
  137   2HG   ARG  16          1HG       ARG  16  11.350  -0.504   5.055
  138   1HD   ARG  16          2HD       ARG  16  14.247  -0.656   4.700
  139   2HD   ARG  16          1HD       ARG  16  13.223  -1.505   5.857
  140    HE   ARG  16           HE       ARG  16  12.746  -2.875   3.571
  141   1HH1  ARG  16          1HH2      ARG  16  15.569  -1.803   5.268
  142   2HH1  ARG  16          2HH2      ARG  16  16.563  -3.091   4.680
  143   1HH2  ARG  16          1HH1      ARG  16  14.055  -4.547   2.792
  144   2HH2  ARG  16          2HH1      ARG  16  15.711  -4.639   3.289
  145    H    GLN  17           H        GLN  17   9.845  -2.315   5.607
  146    HA   GLN  17           HA       GLN  17   8.250   0.126   5.754
  147   1HB   GLN  17          2HB       GLN  17   6.266  -0.914   6.448
  148   2HB   GLN  17          1HB       GLN  17   6.814  -1.957   5.145
  149   1HG   GLN  17          2HG       GLN  17   7.979  -3.316   6.974
  150   2HG   GLN  17          1HG       GLN  17   6.991  -2.422   8.103
  151   1HE2  GLN  17          1HE2      GLN  17   4.965  -3.304   8.522
  152   2HE2  GLN  17          2HE2      GLN  17   4.159  -4.400   7.507
  153    H    LYS  18           H        LYS  18   8.177   0.931   7.799
  154    HA   LYS  18           HA       LYS  18  10.318   0.973   9.347
  155   1HB   LYS  18          2HB       LYS  18   7.470   1.365   9.979
  156   2HB   LYS  18          1HB       LYS  18   8.506   1.095  11.381
  157   1HG   LYS  18          2HG       LYS  18   8.886   3.340  11.197
  158   2HG   LYS  18          1HG       LYS  18  10.050   2.829   9.973
  159   1HD   LYS  18          2HD       LYS  18   7.945   2.918   8.378
  160   2HD   LYS  18          1HD       LYS  18   7.319   4.014   9.611
  161   1HE   LYS  18          2HE       LYS  18  10.110   4.557   8.862
  162   2HE   LYS  18          1HE       LYS  18   8.968   4.761   7.533
  163   1HZ   LYS  18          1HZ       LYS  18   8.524   5.933  10.158
  164   2HZ   LYS  18          2HZ       LYS  18   7.777   6.291   8.789
  165   3HZ   LYS  18          3HZ       LYS  18   9.304   6.717   9.001
  166    H    LYS  19           H        LYS  19   8.263  -1.884   9.296
  167    HA   LYS  19           HA       LYS  19   9.704  -2.873  11.655
  168   1HB   LYS  19          2HB       LYS  19   7.993  -4.486  11.916
  169   2HB   LYS  19          1HB       LYS  19   7.128  -3.045  11.393
  170   1HG   LYS  19          2HG       LYS  19   7.156  -3.920   9.050
  171   2HG   LYS  19          1HG       LYS  19   7.944  -5.378   9.616
  172   1HD   LYS  19          2HD       LYS  19   5.228  -4.401  10.517
  173   2HD   LYS  19          1HD       LYS  19   5.510  -5.654   9.300
  174   1HE   LYS  19          2HE       LYS  19   6.820  -5.940  11.986
  175   2HE   LYS  19          1HE       LYS  19   5.101  -6.306  11.845
  176   1HZ   LYS  19          1HZ       LYS  19   6.661  -7.423   9.776
  177   2HZ   LYS  19          2HZ       LYS  19   5.569  -8.125  10.712
  178   3HZ   LYS  19          3HZ       LYS  19   7.080  -7.978  11.218
  179    H    GLN  20           H        GLN  20   8.824  -4.007   8.425
  180    HA   GLN  20           HA       GLN  20  11.367  -5.413   8.175
  181   1HB   GLN  20          2HB       GLN  20   8.935  -6.705   8.943
  182   2HB   GLN  20          1HB       GLN  20   9.376  -7.236   7.320
  183   1HG   GLN  20          2HG       GLN  20  11.703  -7.046   9.028
  184   2HG   GLN  20          1HG       GLN  20  10.491  -8.130   9.721
  185   1HE2  GLN  20          1HE2      GLN  20  13.128  -8.804   8.374
  186   2HE2  GLN  20          2HE2      GLN  20  12.717  -9.866   7.116
  187    H    ASP  21           H        ASP  21  11.516  -6.494   5.974
  188    HA   ASP  21           HA       ASP  21  10.125  -4.746   4.055
  189   1HB   ASP  21          2HB       ASP  21  12.049  -6.266   2.683
  190   2HB   ASP  21          1HB       ASP  21  12.227  -4.575   3.135
  191    H    GLY  22           H        GLY  22   8.775  -5.799   2.717
  192   1HA   GLY  22          2HA       GLY  22   8.656  -8.661   2.505
  193   2HA   GLY  22          1HA       GLY  22   7.370  -7.964   3.479
  194    H    ALA  23           H        ALA  23   6.717  -9.135   0.913
  195    HA   ALA  23           HA       ALA  23   6.644  -6.997  -0.988
  196   1HB   ALA  23          1HB       ALA  23   5.383  -8.596  -2.331
  197   2HB   ALA  23          2HB       ALA  23   5.115  -9.618  -0.921
  198   3HB   ALA  23          3HB       ALA  23   6.739  -9.436  -1.580
  199    H    LEU  24           H        LEU  24   4.929  -5.858  -1.580
  200    HA   LEU  24           HA       LEU  24   2.763  -5.692   0.407
  201   1HB   LEU  24          2HB       LEU  24   4.504  -3.788  -0.884
  202   2HB   LEU  24          1HB       LEU  24   2.838  -3.421  -1.325
  203    HG   LEU  24           HG       LEU  24   4.033  -3.653   1.430
  204   1HD1  LEU  24          1HD1      LEU  24   3.104  -1.517  -0.403
  205   2HD1  LEU  24          2HD1      LEU  24   4.294  -1.442   0.894
  206   3HD1  LEU  24          3HD1      LEU  24   2.573  -1.338   1.268
  207   1HD2  LEU  24          1HD2      LEU  24   1.959  -4.695   1.776
  208   2HD2  LEU  24          2HD2      LEU  24   1.169  -3.769   0.499
  209   3HD2  LEU  24          3HD2      LEU  24   1.553  -2.999   2.039
  210    H    TYR  25           H        TYR  25   0.820  -6.343  -0.241
  211    HA   TYR  25           HA       TYR  25   0.231  -6.655  -3.130
  212   1HB   TYR  25          2HB       TYR  25  -0.440  -8.131  -0.628
  213   2HB   TYR  25          1HB       TYR  25  -1.745  -7.965  -1.796
  214    HD1  TYR  25           HD1      TYR  25   1.634  -9.327  -1.210
  215    HD2  TYR  25           HD2      TYR  25  -1.694  -9.099  -3.906
  216    HE1  TYR  25           HE1      TYR  25   2.558 -11.224  -2.498
  217    HE2  TYR  25           HE2      TYR  25  -0.770 -11.001  -5.208
  218    HH   TYR  25           HH       TYR  25   0.747 -12.880  -4.890
  219    H    LEU  26           H        LEU  26  -1.664  -5.346  -3.895
  220    HA   LEU  26           HA       LEU  26  -3.012  -3.992  -1.666
  221   1HB   LEU  26          2HB       LEU  26  -1.850  -2.309  -2.877
  222   2HB   LEU  26          1HB       LEU  26  -2.181  -3.082  -4.426
  223    HG   LEU  26           HG       LEU  26  -4.624  -2.617  -4.059
  224   1HD1  LEU  26          1HD1      LEU  26  -4.044  -2.281  -1.477
  225   2HD1  LEU  26          2HD1      LEU  26  -5.391  -1.426  -2.229
  226   3HD1  LEU  26          3HD1      LEU  26  -3.850  -0.604  -1.987
  227   1HD2  LEU  26          1HD2      LEU  26  -4.449  -0.482  -4.970
  228   2HD2  LEU  26          2HD2      LEU  26  -2.810  -1.079  -5.223
  229   3HD2  LEU  26          3HD2      LEU  26  -3.158  -0.007  -3.866
  230    H    MET  27           H        MET  27  -5.234  -4.209  -1.691
  231    HA   MET  27           HA       MET  27  -6.412  -5.677  -3.974
  232   1HB   MET  27          2HB       MET  27  -6.430  -7.133  -2.042
  233   2HB   MET  27          1HB       MET  27  -6.998  -5.830  -1.007
  234   1HG   MET  27          2HG       MET  27  -9.174  -6.040  -1.689
  235   2HG   MET  27          1HG       MET  27  -8.707  -6.415  -3.351
  236   1HE   MET  27          1HE       MET  27  -6.498  -9.060  -2.445
  237   2HE   MET  27          2HE       MET  27  -7.255  -8.339  -3.863
  238   3HE   MET  27          3HE       MET  27  -7.660  -9.989  -3.401
  239    H    ALA  28           H        ALA  28  -8.623  -4.998  -4.442
  240    HA   ALA  28           HA       ALA  28  -9.087  -2.381  -4.756
  241   1HB   ALA  28          1HB       ALA  28 -10.755  -3.661  -5.695
  242   2HB   ALA  28          2HB       ALA  28 -11.613  -3.059  -4.277
  243   3HB   ALA  28          3HB       ALA  28 -10.922  -4.682  -4.267
  244    H    GLU  29           H        GLU  29 -10.319  -4.081  -1.737
  245    HA   GLU  29           HA       GLU  29 -10.558  -1.387  -0.614
  246   1HB   GLU  29          2HB       GLU  29 -12.572  -2.721  -0.673
  247   2HB   GLU  29          1HB       GLU  29 -11.718  -4.087   0.052
  248   1HG   GLU  29          2HG       GLU  29 -12.045  -3.283   2.141
  249   2HG   GLU  29          1HG       GLU  29 -11.484  -1.675   1.691
  250    H    ARG  30           H        ARG  30  -8.095  -3.602  -0.572
  251    HA   ARG  30           HA       ARG  30  -7.403  -2.684   2.098
  252   1HB   ARG  30          2HB       ARG  30  -7.417  -4.656   3.262
  253   2HB   ARG  30          1HB       ARG  30  -8.827  -4.874   2.246
  254   1HG   ARG  30          2HG       ARG  30  -6.635  -5.834   0.756
  255   2HG   ARG  30          1HG       ARG  30  -6.410  -6.434   2.398
  256   1HD   ARG  30          2HD       ARG  30  -7.838  -7.936   0.949
  257   2HD   ARG  30          1HD       ARG  30  -8.624  -7.397   2.428
  258    HE   ARG  30           HE       ARG  30  -9.208  -5.519   0.426
  259   1HH1  ARG  30          1HH2      ARG  30  -9.674  -8.873   1.110
  260   2HH1  ARG  30          2HH2      ARG  30 -11.143  -8.986   0.201
  261   1HH2  ARG  30          1HH1      ARG  30 -11.122  -5.658  -0.764
  262   2HH2  ARG  30          2HH1      ARG  30 -11.962  -7.169  -0.857
  263    H    ILE  31           H        ILE  31  -5.298  -3.430   2.826
  264    HA   ILE  31           HA       ILE  31  -3.492  -3.800   0.502
  265    HB   ILE  31           HB       ILE  31  -3.507  -1.863   2.726
  266   1HG1  ILE  31          2HG1      ILE  31  -3.547  -1.398   0.256
  267   2HG1  ILE  31          1HG1      ILE  31  -2.252  -0.566   1.118
  268   1HG2  ILE  31          1HG2      ILE  31  -1.658  -3.489   3.434
  269   2HG2  ILE  31          2HG2      ILE  31  -1.138  -1.830   3.156
  270   3HG2  ILE  31          3HG2      ILE  31  -0.830  -3.065   1.937
  271   1HD1  ILE  31          1HD1      ILE  31  -1.925  -3.192  -0.363
  272   2HD1  ILE  31          2HD1      ILE  31  -0.644  -2.267   0.420
  273   3HD1  ILE  31          3HD1      ILE  31  -1.461  -1.615  -1.001
  274    H    ALA  32           H        ALA  32  -2.321  -5.658   0.550
  275    HA   ALA  32           HA       ALA  32  -2.180  -7.115   3.115
  276   1HB   ALA  32          1HB       ALA  32  -3.017  -8.811   1.890
  277   2HB   ALA  32          2HB       ALA  32  -1.457  -8.862   1.069
  278   3HB   ALA  32          3HB       ALA  32  -2.781  -7.917   0.387
  279    H    TRP  33           H        TRP  33  -0.188  -8.143   3.690
  280    HA   TRP  33           HA       TRP  33   2.150  -7.182   2.163
  281   1HB   TRP  33          2HB       TRP  33   1.786  -5.707   4.106
  282   2HB   TRP  33          1HB       TRP  33   1.761  -7.117   5.164
  283    HD1  TRP  33           HD1      TRP  33   4.147  -6.049   2.326
  284    HE1  TRP  33           HE1      TRP  33   6.531  -6.129   3.280
  285    HE3  TRP  33           HE3      TRP  33   3.277  -7.644   7.106
  286    HZ2  TRP  33           HZ2      TRP  33   7.909  -6.735   5.580
  287    HZ3  TRP  33           HZ3      TRP  33   5.190  -8.024   8.625
  288    HH2  TRP  33           HH2      TRP  33   7.521  -7.593   7.848
  289    H    ALA  34           H        ALA  34   3.793  -8.698   2.103
  290    HA   ALA  34           HA       ALA  34   3.666 -10.984   3.910
  291   1HB   ALA  34          1HB       ALA  34   2.357 -11.218   1.559
  292   2HB   ALA  34          2HB       ALA  34   3.104 -12.569   2.412
  293   3HB   ALA  34          3HB       ALA  34   3.965 -11.774   1.093
  294    HA   PRO  35           HA       PRO  35   7.949 -10.594   2.897
  295   1HB   PRO  35          2HB       PRO  35   8.687 -11.725   5.435
  296   2HB   PRO  35          1HB       PRO  35   8.769 -10.028   4.942
  297   1HG   PRO  35          2HG       PRO  35   6.933 -11.217   6.798
  298   2HG   PRO  35          1HG       PRO  35   6.988  -9.533   6.260
  299   1HD   PRO  35          2HD       PRO  35   5.067 -11.572   5.551
  300   2HD   PRO  35          1HD       PRO  35   5.076  -9.864   5.079
  301    H    GLU  36           H        GLU  36   7.099 -13.389   4.983
  302    HA   GLU  36           HA       GLU  36   7.757 -15.232   2.834
  303   1HB   GLU  36          2HB       GLU  36   9.573 -14.667   5.116
  304   2HB   GLU  36          1HB       GLU  36   9.303 -16.369   4.743
  305   1HG   GLU  36          2HG       GLU  36  10.445 -16.248   2.781
  306   2HG   GLU  36          1HG       GLU  36   9.772 -14.667   2.380
  307    H    GLY  37           H        GLY  37   5.545 -15.902   3.163
  308   1HA   GLY  37          2HA       GLY  37   5.244 -17.629   5.525
  309   2HA   GLY  37          1HA       GLY  37   4.007 -16.408   5.224
  310    H    LYS  38           H        LYS  38   2.516 -18.272   5.000
  311    HA   LYS  38           HA       LYS  38   2.775 -19.544   2.339
  312   1HB   LYS  38          2HB       LYS  38   1.107 -21.230   3.491
  313   2HB   LYS  38          1HB       LYS  38   2.841 -21.367   3.785
  314   1HG   LYS  38          2HG       LYS  38   2.689 -20.407   5.917
  315   2HG   LYS  38          1HG       LYS  38   1.149 -19.625   5.560
  316   1HD   LYS  38          2HD       LYS  38  -0.004 -21.761   5.585
  317   2HD   LYS  38          1HD       LYS  38   1.523 -22.626   5.765
  318   1HE   LYS  38          2HE       LYS  38   1.382 -20.650   7.825
  319   2HE   LYS  38          1HE       LYS  38  -0.139 -21.542   7.821
  320   1HZ   LYS  38          1HZ       LYS  38   1.486 -22.645   9.151
  321   2HZ   LYS  38          2HZ       LYS  38   2.524 -22.727   7.935
  322   3HZ   LYS  38          3HZ       LYS  38   1.157 -23.558   7.878
  323    H    ASP  39           H        ASP  39   0.822 -17.594   4.416
  324    HA   ASP  39           HA       ASP  39  -1.598 -18.013   2.943
  325   1HB   ASP  39          2HB       ASP  39  -0.660 -15.909   4.911
  326   2HB   ASP  39          1HB       ASP  39  -2.232 -15.821   4.115
  327    H    ARG  40           H        ARG  40  -2.471 -16.311   1.555
  328    HA   ARG  40           HA       ARG  40  -0.939 -15.580  -0.566
  329   1HB   ARG  40          2HB       ARG  40  -3.061 -13.750   0.544
  330   2HB   ARG  40          1HB       ARG  40  -2.586 -13.946  -1.138
  331   1HG   ARG  40          2HG       ARG  40  -3.250 -16.480  -0.672
  332   2HG   ARG  40          1HG       ARG  40  -4.254 -15.739   0.575
  333   1HD   ARG  40          2HD       ARG  40  -5.724 -14.993  -0.954
  334   2HD   ARG  40          1HD       ARG  40  -4.444 -14.259  -1.916
  335    HE   ARG  40           HE       ARG  40  -5.836 -16.596  -2.572
  336   1HH1  ARG  40          1HH2      ARG  40  -2.565 -15.487  -2.293
  337   2HH1  ARG  40          2HH2      ARG  40  -1.923 -16.784  -3.237
  338   1HH2  ARG  40          1HH1      ARG  40  -4.998 -18.261  -3.819
  339   2HH2  ARG  40          2HH1      ARG  40  -3.292 -18.341  -4.107
  340    H    PHE  41           H        PHE  41  -1.175 -14.071   2.490
  341    HA   PHE  41           HA       PHE  41   1.295 -12.685   2.020
  342   1HB   PHE  41          2HB       PHE  41  -0.422 -10.669   3.110
  343   2HB   PHE  41          1HB       PHE  41   0.549 -10.606   1.644
  344    HD1  PHE  41           HD1      PHE  41  -0.413 -11.282  -0.535
  345    HD2  PHE  41           HD2      PHE  41  -2.768 -11.154   3.054
  346    HE1  PHE  41           HE1      PHE  41  -2.483 -11.338  -1.901
  347    HE2  PHE  41           HE2      PHE  41  -4.846 -11.221   1.690
  348    HZ   PHE  41           HZ       PHE  41  -4.701 -11.312  -0.787
  349    H    THR  42           H        THR  42   1.240 -10.957   4.164
  350    HA   THR  42           HA       THR  42   1.072 -12.860   6.397
  351    HB   THR  42           HB       THR  42   3.250 -11.602   5.655
  352    HG1  THR  42           HG1      THR  42   2.274 -11.651   8.316
  353   1HG2  THR  42          1HG2      THR  42   2.680  -9.455   7.519
  354   2HG2  THR  42          2HG2      THR  42   1.643  -9.385   6.102
  355   3HG2  THR  42          3HG2      THR  42   3.387  -9.393   5.906
  356    H    ILE  43           H        ILE  43  -0.017  -9.688   5.301
  357    HA   ILE  43           HA       ILE  43  -2.072  -9.784   7.387
  358    HB   ILE  43           HB       ILE  43  -1.295  -8.125   8.677
  359   1HG1  ILE  43          2HG1      ILE  43  -2.261  -6.488   7.073
  360   2HG1  ILE  43          1HG1      ILE  43  -0.812  -5.869   7.857
  361   1HG2  ILE  43          1HG2      ILE  43   1.004  -7.563   8.627
  362   2HG2  ILE  43          2HG2      ILE  43   1.112  -7.830   6.889
  363   3HG2  ILE  43          3HG2      ILE  43   0.893  -9.199   7.982
  364   1HD1  ILE  43          1HD1      ILE  43  -0.171  -7.322   5.413
  365   2HD1  ILE  43          2HD1      ILE  43   0.278  -5.680   5.887
  366   3HD1  ILE  43          3HD1      ILE  43  -1.274  -5.982   5.106
  367    H    SER  44           H        SER  44  -3.700  -7.979   7.024
  368    HA   SER  44           HA       SER  44  -3.812  -6.880   4.344
  369   1HB   SER  44          2HB       SER  44  -6.134  -8.016   4.056
  370   2HB   SER  44          1HB       SER  44  -4.695  -8.969   3.704
  371    HG   SER  44           HG       SER  44  -6.056  -8.908   6.198
  372    H    HIS  45           H        HIS  45  -4.618  -4.851   4.744
  373    HA   HIS  45           HA       HIS  45  -6.526  -4.604   6.997
  374   1HB   HIS  45          2HB       HIS  45  -5.448  -2.080   6.151
  375   2HB   HIS  45          1HB       HIS  45  -5.365  -2.833   7.743
  376    HD1  HIS  45           HD1      HIS  45  -3.057  -3.499   8.470
  377    HD2  HIS  45           HD2      HIS  45  -3.374  -3.179   4.336
  378    HE1  HIS  45           HE1      HIS  45  -0.726  -3.882   7.549
  379    H    MET  46           H        MET  46  -8.474  -4.091   6.454
  380    HA   MET  46           HA       MET  46  -9.252  -3.490   3.759
  381   1HB   MET  46          2HB       MET  46 -10.605  -3.921   6.330
  382   2HB   MET  46          1HB       MET  46 -11.379  -2.675   5.351
  383   1HG   MET  46          2HG       MET  46 -12.098  -4.172   3.805
  384   2HG   MET  46          1HG       MET  46 -10.570  -5.053   3.819
  385   1HE   MET  46          1HE       MET  46 -12.104  -8.043   4.399
  386   2HE   MET  46          2HE       MET  46 -12.001  -6.735   3.223
  387   3HE   MET  46          3HE       MET  46 -13.545  -7.101   3.990
  388    H    TYR  47           H        TYR  47  -8.624  -1.568   2.892
  389    HA   TYR  47           HA       TYR  47  -7.720   0.669   4.107
  390   1HB   TYR  47          2HB       TYR  47  -9.277   0.268   1.572
  391   2HB   TYR  47          1HB       TYR  47  -8.957   1.907   2.128
  392    HD1  TYR  47           HD1      TYR  47  -6.170   1.097   3.456
  393    HD2  TYR  47           HD2      TYR  47  -7.898   0.491  -0.443
  394    HE1  TYR  47           HE1      TYR  47  -3.919   1.046   2.455
  395    HE2  TYR  47           HE2      TYR  47  -5.644   0.432  -1.418
  396    HH   TYR  47           HH       TYR  47  -2.804   1.265   0.431
  397    H    ALA  48           H        ALA  48 -11.175  -0.105   3.627
  398    HA   ALA  48           HA       ALA  48 -12.075   2.364   4.796
  399   1HB   ALA  48          1HB       ALA  48 -13.286  -0.225   3.997
  400   2HB   ALA  48          2HB       ALA  48 -13.877   1.417   3.744
  401   3HB   ALA  48          3HB       ALA  48 -14.109   0.626   5.303
  402    H    ASP  49           H        ASP  49 -11.606  -0.884   5.952
  403    HA   ASP  49           HA       ASP  49 -12.377  -0.701   8.606
  404   1HB   ASP  49          2HB       ASP  49 -10.240  -2.255   7.225
  405   2HB   ASP  49          1HB       ASP  49 -10.130  -2.140   8.980
  406    H    ILE  50           H        ILE  50  -9.659   0.648   6.994
  407    HA   ILE  50           HA       ILE  50  -8.851   1.874   9.547
  408    HB   ILE  50           HB       ILE  50  -6.708   2.228   8.350
  409   1HG1  ILE  50          2HG1      ILE  50  -6.456   0.720   6.255
  410   2HG1  ILE  50          1HG1      ILE  50  -8.197   0.875   6.126
  411   1HG2  ILE  50          1HG2      ILE  50  -7.772  -0.594   8.387
  412   2HG2  ILE  50          2HG2      ILE  50  -7.017   0.256   9.733
  413   3HG2  ILE  50          3HG2      ILE  50  -6.062  -0.167   8.312
  414   1HD1  ILE  50          1HD1      ILE  50  -6.394   3.279   6.409
  415   2HD1  ILE  50          2HD1      ILE  50  -8.065   3.243   5.861
  416   3HD1  ILE  50          3HD1      ILE  50  -6.795   2.588   4.839
  417    H    LYS  51           H        LYS  51  -8.151   4.260   9.348
  418    HA   LYS  51           HA       LYS  51  -9.108   5.447   6.876
  419   1HB   LYS  51          2HB       LYS  51 -11.027   5.401   8.593
  420   2HB   LYS  51          1HB       LYS  51 -10.114   6.669   9.416
  421   1HG   LYS  51          2HG       LYS  51 -10.794   6.755   6.469
  422   2HG   LYS  51          1HG       LYS  51 -11.774   7.545   7.710
  423   1HD   LYS  51          2HD       LYS  51  -9.529   8.653   8.438
  424   2HD   LYS  51          1HD       LYS  51  -8.944   8.159   6.846
  425   1HE   LYS  51          2HE       LYS  51  -9.787  10.263   6.343
  426   2HE   LYS  51          1HE       LYS  51 -11.214   9.273   6.035
  427   1HZ   LYS  51          1HZ       LYS  51 -10.658  10.613   8.565
  428   2HZ   LYS  51          2HZ       LYS  51 -11.987   9.799   8.200
  429   3HZ   LYS  51          3HZ       LYS  51 -11.661  11.174   7.450
  430    H    CYS  52           H        CYS  52  -7.260   6.306   6.374
  431    HA   CYS  52           HA       CYS  52  -6.446   8.744   7.289
  432   1HB   CYS  52          2HB       CYS  52  -5.403   6.539   8.852
  433   2HB   CYS  52          1HB       CYS  52  -4.132   7.561   8.195
  434    HG   CYS  52           HG       CYS  52  -4.897   8.683  10.427
  435    H    GLN  53           H        GLN  53  -5.360   9.471   5.533
  436    HA   GLN  53           HA       GLN  53  -3.656   7.508   4.130
  437   1HB   GLN  53          2HB       GLN  53  -5.861   9.153   2.866
  438   2HB   GLN  53          1HB       GLN  53  -4.653   8.253   1.954
  439   1HG   GLN  53          2HG       GLN  53  -6.456   6.754   2.066
  440   2HG   GLN  53          1HG       GLN  53  -5.423   6.213   3.382
  441   1HE2  GLN  53          1HE2      GLN  53  -7.983   5.461   3.744
  442   2HE2  GLN  53          2HE2      GLN  53  -8.795   6.455   4.856
  443    H    LYS  54           H        LYS  54  -1.782   8.324   3.585
  444    HA   LYS  54           HA       LYS  54  -1.491  11.142   2.859
  445   1HB   LYS  54          2HB       LYS  54  -0.908  11.494   5.075
  446   2HB   LYS  54          1HB       LYS  54  -0.425   9.816   5.320
  447   1HG   LYS  54          2HG       LYS  54   1.720  10.185   4.600
  448   2HG   LYS  54          1HG       LYS  54   1.230  11.407   3.424
  449   1HD   LYS  54          2HD       LYS  54   0.580  12.673   5.743
  450   2HD   LYS  54          1HD       LYS  54   1.966  11.721   6.276
  451   1HE   LYS  54          2HE       LYS  54   1.867  13.739   4.025
  452   2HE   LYS  54          1HE       LYS  54   2.858  13.795   5.483
  453   1HZ   LYS  54          1HZ       LYS  54   3.249  12.275   3.095
  454   2HZ   LYS  54          2HZ       LYS  54   3.618  11.522   4.458
  455   3HZ   LYS  54          3HZ       LYS  54   4.335  12.904   4.089
  456    H    ILE  55           H        ILE  55  -0.489  10.917   0.882
  457    HA   ILE  55           HA       ILE  55   1.840   9.117   0.750
  458    HB   ILE  55           HB       ILE  55   0.718   8.797  -1.745
  459   1HG1  ILE  55          2HG1      ILE  55  -1.632   8.026  -1.238
  460   2HG1  ILE  55          1HG1      ILE  55  -1.484   8.799   0.339
  461   1HG2  ILE  55          1HG2      ILE  55   1.715   7.176   0.083
  462   2HG2  ILE  55          2HG2      ILE  55   0.653   6.551  -1.179
  463   3HG2  ILE  55          3HG2      ILE  55   0.014   6.868   0.434
  464   1HD1  ILE  55          1HD1      ILE  55  -0.875  10.939  -0.900
  465   2HD1  ILE  55          2HD1      ILE  55  -2.544  10.405  -1.089
  466   3HD1  ILE  55          3HD1      ILE  55  -1.376  10.123  -2.379
  467    H    SER  56           H        SER  56   3.320  10.743   0.447
  468    HA   SER  56           HA       SER  56   2.820  12.504  -1.879
  469   1HB   SER  56          2HB       SER  56   3.184  13.310   0.731
  470   2HB   SER  56          1HB       SER  56   4.804  13.454   0.056
  471    HG   SER  56           HG       SER  56   3.625  14.526  -1.769
  472    HA   PRO  57           HA       PRO  57   7.050  10.341  -1.810
  473   1HB   PRO  57          2HB       PRO  57   6.489   8.088  -3.475
  474   2HB   PRO  57          1HB       PRO  57   7.001   8.141  -1.786
  475   1HG   PRO  57          2HG       PRO  57   4.366   7.522  -2.813
  476   2HG   PRO  57          1HG       PRO  57   4.961   7.355  -1.178
  477   1HD   PRO  57          2HD       PRO  57   3.153   9.346  -2.107
  478   2HD   PRO  57          1HD       PRO  57   3.912   9.250  -0.513
  479    H    GLU  58           H        GLU  58   4.720  11.411  -3.967
  480    HA   GLU  58           HA       GLU  58   6.067  11.046  -6.428
  481   1HB   GLU  58          2HB       GLU  58   3.806  11.823  -6.511
  482   2HB   GLU  58          1HB       GLU  58   4.153  13.161  -5.415
  483   1HG   GLU  58          2HG       GLU  58   4.013  13.984  -7.721
  484   2HG   GLU  58          1HG       GLU  58   5.665  14.143  -7.123
  485    H    GLY  59           H        GLY  59   6.896  12.822  -3.615
  486   1HA   GLY  59          2HA       GLY  59   9.105  14.046  -5.073
  487   2HA   GLY  59          1HA       GLY  59   8.078  15.113  -4.111
  488    H    LYS  60           H        LYS  60   8.505  11.838  -2.971
  489    HA   LYS  60           HA       LYS  60  10.016  12.971  -0.706
  490   1HB   LYS  60          2HB       LYS  60   8.548  10.322  -0.892
  491   2HB   LYS  60          1HB       LYS  60   9.216  11.061   0.565
  492   1HG   LYS  60          2HG       LYS  60   7.438  12.862  -0.903
  493   2HG   LYS  60          1HG       LYS  60   6.634  11.404  -0.317
  494   1HD   LYS  60          2HD       LYS  60   6.476  12.522   1.652
  495   2HD   LYS  60          1HD       LYS  60   8.179  12.105   1.844
  496   1HE   LYS  60          2HE       LYS  60   8.898  14.227   1.339
  497   2HE   LYS  60          1HE       LYS  60   7.569  14.523   0.218
  498   1HZ   LYS  60          1HZ       LYS  60   6.881  14.230   2.980
  499   2HZ   LYS  60          2HZ       LYS  60   6.271  15.220   1.880
  500   3HZ   LYS  60          3HZ       LYS  60   7.658  15.576   2.594
  501    H    ALA  61           H        ALA  61  11.085  10.881   0.429
  502    HA   ALA  61           HA       ALA  61  13.584  10.494  -0.532
  503   1HB   ALA  61          1HB       ALA  61  13.803   8.764   0.982
  504   2HB   ALA  61          2HB       ALA  61  12.251   8.048   0.546
  505   3HB   ALA  61          3HB       ALA  61  12.303   9.478   1.576
  506    H    LYS  62           H        LYS  62  11.132   7.908  -1.052
  507    HA   LYS  62           HA       LYS  62  11.637   7.865  -3.851
  508   1HB   LYS  62          2HB       LYS  62  12.507   5.366  -3.610
  509   2HB   LYS  62          1HB       LYS  62  13.633   6.700  -3.679
  510   1HG   LYS  62          2HG       LYS  62  12.489   5.899  -1.021
  511   2HG   LYS  62          1HG       LYS  62  13.752   4.892  -1.728
  512   1HD   LYS  62          2HD       LYS  62  14.533   7.637  -1.968
  513   2HD   LYS  62          1HD       LYS  62  14.048   7.328  -0.299
  514   1HE   LYS  62          2HE       LYS  62  15.779   5.882   0.075
  515   2HE   LYS  62          1HE       LYS  62  15.725   5.234  -1.564
  516   1HZ   LYS  62          1HZ       LYS  62  17.666   6.485  -1.381
  517   2HZ   LYS  62          2HZ       LYS  62  16.936   7.734  -0.699
  518   3HZ   LYS  62          3HZ       LYS  62  16.673   7.400  -2.241
  519    H    ILE  63           H        ILE  63   9.252   7.646  -1.939
  520    HA   ILE  63           HA       ILE  63   7.286   6.631  -2.669
  521    HB   ILE  63           HB       ILE  63   8.319   5.258  -4.367
  522   1HG1  ILE  63          2HG1      ILE  63   6.873   3.093  -3.522
  523   2HG1  ILE  63          1HG1      ILE  63   6.179   4.394  -2.544
  524   1HG2  ILE  63          1HG2      ILE  63   8.580   2.901  -2.686
  525   2HG2  ILE  63          2HG2      ILE  63   9.724   4.127  -2.189
  526   3HG2  ILE  63          3HG2      ILE  63   9.727   3.521  -3.855
  527   1HD1  ILE  63          1HD1      ILE  63   6.461   4.354  -5.557
  528   2HD1  ILE  63          2HD1      ILE  63   5.895   5.743  -4.631
  529   3HD1  ILE  63          3HD1      ILE  63   4.955   4.249  -4.645
  530    H    GLN  64           H        GLN  64   6.918   7.152  -0.486
  531    HA   GLN  64           HA       GLN  64   6.744   4.747   1.210
  532   1HB   GLN  64          2HB       GLN  64   6.949   6.842   3.014
  533   2HB   GLN  64          1HB       GLN  64   8.242   5.712   2.624
  534   1HG   GLN  64          2HG       GLN  64   8.990   7.237   0.804
  535   2HG   GLN  64          1HG       GLN  64   7.737   8.384   1.278
  536   1HE2  GLN  64          1HE2      GLN  64   9.740   6.410   3.498
  537   2HE2  GLN  64          2HE2      GLN  64  10.498   7.733   4.243
  538    H    LEU  65           H        LEU  65   4.718   4.616   2.260
  539    HA   LEU  65           HA       LEU  65   2.973   6.957   1.862
  540   1HB   LEU  65          2HB       LEU  65   1.103   5.533   1.223
  541   2HB   LEU  65          1HB       LEU  65   2.457   5.256   0.143
  542    HG   LEU  65           HG       LEU  65   1.383   3.153   0.752
  543   1HD1  LEU  65          1HD1      LEU  65   3.345   2.039   0.859
  544   2HD1  LEU  65          2HD1      LEU  65   3.840   2.860   2.338
  545   3HD1  LEU  65          3HD1      LEU  65   4.065   3.646   0.777
  546   1HD2  LEU  65          1HD2      LEU  65   0.910   2.460   2.883
  547   2HD2  LEU  65          2HD2      LEU  65   0.837   4.201   3.156
  548   3HD2  LEU  65          3HD2      LEU  65   2.294   3.302   3.579
  549    H    GLN  66           H        GLN  66   1.061   6.933   3.367
  550    HA   GLN  66           HA       GLN  66   1.535   5.350   5.804
  551   1HB   GLN  66          2HB       GLN  66   2.182   8.129   5.499
  552   2HB   GLN  66          1HB       GLN  66   0.851   7.969   6.645
  553   1HG   GLN  66          2HG       GLN  66   2.094   6.547   8.070
  554   2HG   GLN  66          1HG       GLN  66   3.293   6.205   6.822
  555   1HE2  GLN  66          1HE2      GLN  66   2.578   8.252   9.488
  556   2HE2  GLN  66          2HE2      GLN  66   3.819   9.383   9.244
  557    H    LEU  67           H        LEU  67  -0.334   4.455   6.329
  558    HA   LEU  67           HA       LEU  67  -2.860   5.951   5.885
  559   1HB   LEU  67          2HB       LEU  67  -2.654   4.175   4.223
  560   2HB   LEU  67          1HB       LEU  67  -2.210   3.012   5.469
  561    HG   LEU  67           HG       LEU  67  -4.626   4.051   6.369
  562   1HD1  LEU  67          1HD1      LEU  67  -5.447   3.202   3.713
  563   2HD1  LEU  67          2HD1      LEU  67  -4.451   4.654   3.637
  564   3HD1  LEU  67          3HD1      LEU  67  -5.919   4.642   4.615
  565   1HD2  LEU  67          1HD2      LEU  67  -3.457   1.585   5.641
  566   2HD2  LEU  67          2HD2      LEU  67  -4.996   1.662   4.785
  567   3HD2  LEU  67          3HD2      LEU  67  -4.955   1.827   6.540
  568    H    VAL  68           H        VAL  68  -4.470   5.518   7.602
  569    HA   VAL  68           HA       VAL  68  -3.260   4.020   9.824
  570    HB   VAL  68           HB       VAL  68  -4.810   6.506  10.441
  571   1HG1  VAL  68          1HG1      VAL  68  -2.856   4.693  11.848
  572   2HG1  VAL  68          2HG1      VAL  68  -4.520   5.066  12.315
  573   3HG1  VAL  68          3HG1      VAL  68  -3.262   6.290  12.469
  574   1HG2  VAL  68          1HG2      VAL  68  -2.507   6.606   8.989
  575   2HG2  VAL  68          2HG2      VAL  68  -1.870   6.521  10.631
  576   3HG2  VAL  68          3HG2      VAL  68  -2.962   7.829  10.176
  577    H    LEU  69           H        LEU  69  -4.583   3.299  11.385
  578    HA   LEU  69           HA       LEU  69  -7.070   2.223  10.342
  579   1HB   LEU  69          2HB       LEU  69  -5.595   1.737  12.946
  580   2HB   LEU  69          1HB       LEU  69  -6.791   0.676  12.241
  581    HG   LEU  69           HG       LEU  69  -3.955   0.679  11.835
  582   1HD1  LEU  69          1HD1      LEU  69  -4.627  -1.447  11.667
  583   2HD1  LEU  69          2HD1      LEU  69  -4.910  -1.072   9.966
  584   3HD1  LEU  69          3HD1      LEU  69  -6.244  -0.987  11.129
  585   1HD2  LEU  69          1HD2      LEU  69  -5.469   1.634   9.456
  586   2HD2  LEU  69          2HD2      LEU  69  -4.146   0.502   9.223
  587   3HD2  LEU  69          3HD2      LEU  69  -3.850   2.058   9.998
  588    H    HIS  70           H        HIS  70  -9.137   2.597  11.368
  589    HA   HIS  70           HA       HIS  70  -9.699   5.046  12.542
  590   1HB   HIS  70          2HB       HIS  70 -10.973   2.343  13.123
  591   2HB   HIS  70          1HB       HIS  70 -11.641   3.878  13.665
  592    HD1  HIS  70           HD1      HIS  70 -11.979   5.668  11.503
  593    HD2  HIS  70           HD2      HIS  70 -12.021   1.589  10.706
  594    HE1  HIS  70           HE1      HIS  70 -13.147   5.365   9.271
  595    H    ALA  71           H        ALA  71  -8.415   2.125  13.799
  596    HA   ALA  71           HA       ALA  71  -8.395   2.881  16.580
  597   1HB   ALA  71          1HB       ALA  71  -8.276   0.490  15.521
  598   2HB   ALA  71          2HB       ALA  71  -7.317   0.832  16.961
  599   3HB   ALA  71          3HB       ALA  71  -6.552   0.830  15.372
  600    H    GLY  72           H        GLY  72  -5.624   2.117  17.068
  601   1HA   GLY  72          2HA       GLY  72  -4.341   4.615  16.179
  602   2HA   GLY  72          1HA       GLY  72  -3.978   3.768  17.684
  603    H    ASP  73           H        ASP  73  -4.294   2.708  14.395
  604    HA   ASP  73           HA       ASP  73  -1.508   1.695  14.543
  605   1HB   ASP  73          2HB       ASP  73  -4.024   0.281  13.738
  606   2HB   ASP  73          1HB       ASP  73  -2.511  -0.153  12.942
  607    H    THR  74           H        THR  74  -0.271   2.391  12.908
  608    HA   THR  74           HA       THR  74  -1.668   3.618  10.637
  609    HB   THR  74           HB       THR  74   1.201   4.053  11.459
  610    HG1  THR  74           HG1      THR  74  -0.315   4.629  13.127
  611   1HG2  THR  74          1HG2      THR  74   0.871   4.833   9.264
  612   2HG2  THR  74          2HG2      THR  74   0.627   6.274  10.250
  613   3HG2  THR  74          3HG2      THR  74  -0.763   5.395   9.613
  614    H    THR  75           H        THR  75  -0.583   3.312   8.515
  615    HA   THR  75           HA       THR  75   0.867   0.752   8.456
  616    HB   THR  75           HB       THR  75  -0.632   1.769   6.074
  617    HG1  THR  75           HG1      THR  75  -2.475   0.561   6.972
  618   1HG2  THR  75          1HG2      THR  75   0.588  -0.238   5.743
  619   2HG2  THR  75          2HG2      THR  75  -1.083  -0.757   5.956
  620   3HG2  THR  75          3HG2      THR  75   0.063  -0.905   7.288
  621    H    ASN  76           H        ASN  76   2.973   1.263   7.935
  622    HA   ASN  76           HA       ASN  76   3.361   3.634   6.212
  623   1HB   ASN  76          2HB       ASN  76   5.249   2.392   8.237
  624   2HB   ASN  76          1HB       ASN  76   5.591   3.807   7.242
  625   1HD2  ASN  76          1HD2      ASN  76   5.461   3.730  10.212
  626   2HD2  ASN  76          2HD2      ASN  76   4.229   4.809  10.659
  627    H    PHE  77           H        PHE  77   4.065   3.037   4.178
  628    HA   PHE  77           HA       PHE  77   5.636   0.554   4.139
  629   1HB   PHE  77          2HB       PHE  77   3.062   0.975   2.933
  630   2HB   PHE  77          1HB       PHE  77   4.275   0.664   1.685
  631    HD1  PHE  77           HD1      PHE  77   6.204  -0.988   2.800
  632    HD2  PHE  77           HD2      PHE  77   1.985  -1.072   3.570
  633    HE1  PHE  77           HE1      PHE  77   6.384  -3.352   3.464
  634    HE2  PHE  77           HE2      PHE  77   2.165  -3.448   4.232
  635    HZ   PHE  77           HZ       PHE  77   4.376  -4.559   4.178
  636    H    HIS  78           H        HIS  78   7.279   0.490   2.704
  637    HA   HIS  78           HA       HIS  78   7.728   2.882   1.043
  638   1HB   HIS  78          2HB       HIS  78   8.706   3.414   3.245
  639   2HB   HIS  78          1HB       HIS  78   9.659   1.930   3.187
  640    HD1  HIS  78           HD1      HIS  78  11.514   1.775   1.376
  641    HD2  HIS  78           HD2      HIS  78   9.761   5.553   1.574
  642    HE1  HIS  78           HE1      HIS  78  12.904   3.325  -0.036
  643    H    PHE  79           H        PHE  79   9.029   2.553  -0.629
  644    HA   PHE  79           HA       PHE  79  10.274  -0.123  -0.895
  645   1HB   PHE  79          2HB       PHE  79   9.535   1.529  -3.276
  646   2HB   PHE  79          1HB       PHE  79   9.732  -0.187  -3.134
  647    HD1  PHE  79           HD1      PHE  79   7.442   2.348  -1.376
  648    HD2  PHE  79           HD2      PHE  79   7.758  -1.335  -3.605
  649    HE1  PHE  79           HE1      PHE  79   4.967   2.103  -1.326
  650    HE2  PHE  79           HE2      PHE  79   5.297  -1.566  -3.509
  651    HZ   PHE  79           HZ       PHE  79   3.919   0.128  -2.371
  652    H    SER  80           H        SER  80  12.658   0.104  -1.589
  653    HA   SER  80           HA       SER  80  13.402   2.958  -1.771
  654   1HB   SER  80          2HB       SER  80  13.834   1.801   0.462
  655   2HB   SER  80          1HB       SER  80  15.077   0.886  -0.387
  656    HG   SER  80           HG       SER  80  16.060   2.694   0.413
  657    H    ASN  81           H        ASN  81  14.855  -0.255  -2.238
  658    HA   ASN  81           HA       ASN  81  17.093   0.159  -3.578
  659   1HB   ASN  81          2HB       ASN  81  15.340  -1.532  -5.251
  660   2HB   ASN  81          1HB       ASN  81  16.901  -1.899  -4.526
  661   1HD2  ASN  81          1HD2      ASN  81  13.404  -1.812  -3.883
  662   2HD2  ASN  81          2HD2      ASN  81  13.467  -2.777  -2.490
  663    H    GLU  82           H        GLU  82  17.245   2.195  -4.584
  664    HA   GLU  82           HA       GLU  82  15.685   3.528  -6.303
  665   1HB   GLU  82          2HB       GLU  82  18.024   4.150  -5.684
  666   2HB   GLU  82          1HB       GLU  82  18.607   2.989  -6.878
  667   1HG   GLU  82          2HG       GLU  82  16.593   5.035  -7.734
  668   2HG   GLU  82          1HG       GLU  82  18.274   5.534  -7.536
  669    H    SER  83           H        SER  83  17.607   0.676  -7.254
  670    HA   SER  83           HA       SER  83  16.896   0.789  -9.994
  671   1HB   SER  83          2HB       SER  83  18.743  -0.595  -8.866
  672   2HB   SER  83          1HB       SER  83  17.470  -1.738  -8.448
  673    HG   SER  83           HG       SER  83  17.104  -2.108 -10.578
  674    H    THR  84           H        THR  84  15.376  -0.771  -7.192
  675    HA   THR  84           HA       THR  84  13.213  -1.684  -8.984
  676    HB   THR  84           HB       THR  84  12.720  -3.347  -7.384
  677    HG1  THR  84           HG1      THR  84  13.509  -3.191  -5.252
  678   1HG2  THR  84          1HG2      THR  84  15.663  -3.044  -6.845
  679   2HG2  THR  84          2HG2      THR  84  15.094  -3.400  -8.476
  680   3HG2  THR  84          3HG2      THR  84  14.737  -4.512  -7.155
  681    H    ALA  85           H        ALA  85  13.733   0.062  -5.905
  682    HA   ALA  85           HA       ALA  85  10.932   0.701  -5.760
  683   1HB   ALA  85          1HB       ALA  85  11.398   0.681  -3.600
  684   2HB   ALA  85          2HB       ALA  85  12.499   2.039  -3.802
  685   3HB   ALA  85          3HB       ALA  85  13.088   0.385  -3.974
  686    H    VAL  86           H        VAL  86  10.919   2.060  -7.651
  687    HA   VAL  86           HA       VAL  86  11.268   4.825  -6.977
  688    HB   VAL  86           HB       VAL  86  12.186   5.167  -9.416
  689   1HG1  VAL  86          1HG1      VAL  86  14.130   4.017  -7.421
  690   2HG1  VAL  86          2HG1      VAL  86  13.304   5.544  -7.114
  691   3HG1  VAL  86          3HG1      VAL  86  14.356   5.378  -8.520
  692   1HG2  VAL  86          1HG2      VAL  86  13.904   3.185  -9.748
  693   2HG2  VAL  86          2HG2      VAL  86  12.265   3.048 -10.379
  694   3HG2  VAL  86          3HG2      VAL  86  12.694   2.259  -8.862
  695    H    LYS  87           H        LYS  87  10.799   4.362 -10.346
  696    HA   LYS  87           HA       LYS  87   8.201   5.387 -10.388
  697   1HB   LYS  87          2HB       LYS  87  10.078   4.372 -12.273
  698   2HB   LYS  87          1HB       LYS  87   8.519   3.618 -12.611
  699   1HG   LYS  87          2HG       LYS  87   7.454   5.680 -12.968
  700   2HG   LYS  87          1HG       LYS  87   8.691   6.578 -12.087
  701   1HD   LYS  87          2HD       LYS  87  10.262   5.605 -14.003
  702   2HD   LYS  87          1HD       LYS  87   8.739   5.537 -14.890
  703   1HE   LYS  87          2HE       LYS  87   8.355   7.902 -14.537
  704   2HE   LYS  87          1HE       LYS  87   9.750   8.011 -13.463
  705   1HZ   LYS  87          1HZ       LYS  87   9.676   7.996 -16.287
  706   2HZ   LYS  87          2HZ       LYS  87  10.757   6.973 -15.698
  707   3HZ   LYS  87          3HZ       LYS  87  10.827   8.523 -15.306
  708    H    GLU  88           H        GLU  88   8.950   2.005 -11.154
  709    HA   GLU  88           HA       GLU  88   6.564   0.795 -11.268
  710   1HB   GLU  88          2HB       GLU  88   7.864  -0.813  -9.344
  711   2HB   GLU  88          1HB       GLU  88   7.879  -1.022 -11.090
  712   1HG   GLU  88          2HG       GLU  88  10.153  -0.861 -10.103
  713   2HG   GLU  88          1HG       GLU  88   9.826   0.377 -11.282
  714    H    ARG  89           H        ARG  89   8.121   0.963  -8.034
  715    HA   ARG  89           HA       ARG  89   5.688   0.447  -6.677
  716   1HB   ARG  89          2HB       ARG  89   7.887   2.165  -5.529
  717   2HB   ARG  89          1HB       ARG  89   6.804   1.069  -4.684
  718   1HG   ARG  89          2HG       ARG  89   9.245   0.440  -6.298
  719   2HG   ARG  89          1HG       ARG  89   8.789  -0.153  -4.724
  720   1HD   ARG  89          2HD       ARG  89   7.797  -1.958  -5.598
  721   2HD   ARG  89          1HD       ARG  89   6.862  -0.988  -6.735
  722    HE   ARG  89           HE       ARG  89   9.329  -0.956  -7.843
  723   1HH1  ARG  89          1HH2      ARG  89   7.301  -3.440  -6.556
  724   2HH1  ARG  89          2HH2      ARG  89   7.839  -4.638  -7.679
  725   1HH2  ARG  89          1HH1      ARG  89  10.047  -2.524  -9.298
  726   2HH2  ARG  89          2HH1      ARG  89   9.389  -4.124  -9.225
  727    H    ASP  90           H        ASP  90   7.204   3.239  -8.068
  728    HA   ASP  90           HA       ASP  90   5.501   5.230  -6.846
  729   1HB   ASP  90          2HB       ASP  90   7.582   5.647  -8.362
  730   2HB   ASP  90          1HB       ASP  90   6.445   5.489  -9.697
  731    H    ALA  91           H        ALA  91   4.899   2.705  -9.021
  732    HA   ALA  91           HA       ALA  91   2.464   3.906 -10.104
  733   1HB   ALA  91          1HB       ALA  91   2.662   2.322 -11.718
  734   2HB   ALA  91          2HB       ALA  91   2.802   1.039 -10.516
  735   3HB   ALA  91          3HB       ALA  91   4.236   1.928 -11.028
  736    H    VAL  92           H        VAL  92   3.715   1.737  -7.661
  737    HA   VAL  92           HA       VAL  92   1.249   0.538  -6.887
  738    HB   VAL  92           HB       VAL  92   3.726   1.280  -5.295
  739   1HG1  VAL  92          1HG1      VAL  92   1.058   0.326  -4.447
  740   2HG1  VAL  92          2HG1      VAL  92   2.301   1.164  -3.518
  741   3HG1  VAL  92          3HG1      VAL  92   2.421  -0.576  -3.786
  742   1HG2  VAL  92          1HG2      VAL  92   3.971  -1.215  -5.249
  743   2HG2  VAL  92          2HG2      VAL  92   4.096  -0.529  -6.869
  744   3HG2  VAL  92          3HG2      VAL  92   2.607  -1.328  -6.359
  745    H    LYS  93           H        LYS  93   3.006   3.202  -5.206
  746    HA   LYS  93           HA       LYS  93   0.873   4.258  -3.833
  747   1HB   LYS  93          2HB       LYS  93   3.025   5.192  -3.448
  748   2HB   LYS  93          1HB       LYS  93   3.261   5.553  -5.159
  749   1HG   LYS  93          2HG       LYS  93   1.049   7.027  -4.762
  750   2HG   LYS  93          1HG       LYS  93   1.664   7.039  -3.117
  751   1HD   LYS  93          2HD       LYS  93   3.232   8.548  -3.681
  752   2HD   LYS  93          1HD       LYS  93   3.833   7.492  -4.955
  753   1HE   LYS  93          2HE       LYS  93   1.317   9.099  -5.357
  754   2HE   LYS  93          1HE       LYS  93   2.901   9.825  -5.632
  755   1HZ   LYS  93          1HZ       LYS  93   3.212   8.559  -7.422
  756   2HZ   LYS  93          2HZ       LYS  93   1.615   8.461  -7.457
  757   3HZ   LYS  93          3HZ       LYS  93   2.476   7.269  -6.825
  758    H    ASP  94           H        ASP  94   1.741   4.651  -7.281
  759    HA   ASP  94           HA       ASP  94  -0.045   6.685  -7.962
  760   1HB   ASP  94          2HB       ASP  94   1.649   5.460  -9.467
  761   2HB   ASP  94          1HB       ASP  94   0.389   4.250  -9.697
  762    H    LEU  95           H        LEU  95  -0.624   3.304  -7.227
  763    HA   LEU  95           HA       LEU  95  -3.460   3.573  -7.968
  764   1HB   LEU  95          2HB       LEU  95  -1.610   1.338  -7.327
  765   2HB   LEU  95          1HB       LEU  95  -3.289   1.123  -6.829
  766    HG   LEU  95           HG       LEU  95  -2.989   0.256  -9.099
  767   1HD1  LEU  95          1HD1      LEU  95  -4.938   1.162  -9.899
  768   2HD1  LEU  95          2HD1      LEU  95  -4.384   2.820  -9.666
  769   3HD1  LEU  95          3HD1      LEU  95  -4.985   1.890  -8.293
  770   1HD2  LEU  95          1HD2      LEU  95  -2.479   2.921 -10.279
  771   2HD2  LEU  95          2HD2      LEU  95  -1.826   1.346 -10.732
  772   3HD2  LEU  95          3HD2      LEU  95  -1.125   2.236  -9.381
  773    H    LEU  96           H        LEU  96  -1.437   3.033  -5.098
  774    HA   LEU  96           HA       LEU  96  -3.219   2.644  -3.083
  775   1HB   LEU  96          2HB       LEU  96  -0.947   4.645  -2.997
  776   2HB   LEU  96          1HB       LEU  96  -1.652   3.792  -1.635
  777    HG   LEU  96           HG       LEU  96   0.022   2.670  -3.882
  778   1HD1  LEU  96          1HD1      LEU  96   0.959   1.547  -1.649
  779   2HD1  LEU  96          2HD1      LEU  96   0.208   2.962  -0.912
  780   3HD1  LEU  96          3HD1      LEU  96   1.456   3.166  -2.140
  781   1HD2  LEU  96          1HD2      LEU  96  -0.591   0.466  -2.439
  782   2HD2  LEU  96          2HD2      LEU  96  -1.506   0.947  -3.868
  783   3HD2  LEU  96          3HD2      LEU  96  -2.105   1.352  -2.260
  784    H    GLN  97           H        GLN  97  -2.125   6.018  -3.799
  785    HA   GLN  97           HA       GLN  97  -4.226   7.208  -2.334
  786   1HB   GLN  97          2HB       GLN  97  -3.670   9.197  -3.899
  787   2HB   GLN  97          1HB       GLN  97  -2.424   8.635  -2.792
  788   1HG   GLN  97          2HG       GLN  97  -1.774   9.052  -5.281
  789   2HG   GLN  97          1HG       GLN  97  -1.219   7.562  -4.514
  790   1HE2  GLN  97          1HE2      GLN  97  -1.995   5.593  -5.335
  791   2HE2  GLN  97          2HE2      GLN  97  -3.118   5.467  -6.559
  792    H    GLN  98           H        GLN  98  -4.564   5.398  -5.084
  793    HA   GLN  98           HA       GLN  98  -6.621   7.072  -6.294
  794   1HB   GLN  98          2HB       GLN  98  -4.856   5.505  -7.513
  795   2HB   GLN  98          1HB       GLN  98  -6.065   4.265  -7.176
  796   1HG   GLN  98          2HG       GLN  98  -7.586   6.384  -8.111
  797   2HG   GLN  98          1HG       GLN  98  -6.141   6.453  -9.120
  798   1HE2  GLN  98          1HE2      GLN  98  -8.126   3.761  -7.738
  799   2HE2  GLN  98          2HE2      GLN  98  -8.265   2.921  -9.206
  800    H    LEU  99           H        LEU  99  -6.223   4.011  -4.530
  801    HA   LEU  99           HA       LEU  99  -9.102   3.521  -4.552
  802   1HB   LEU  99          2HB       LEU  99  -7.509   2.110  -2.524
  803   2HB   LEU  99          1HB       LEU  99  -8.579   1.451  -3.741
  804    HG   LEU  99           HG       LEU  99  -6.502   2.323  -5.286
  805   1HD1  LEU  99          1HD1      LEU  99  -4.655   1.089  -3.694
  806   2HD1  LEU  99          2HD1      LEU  99  -5.626   1.953  -2.498
  807   3HD1  LEU  99          3HD1      LEU  99  -4.861   2.830  -3.817
  808   1HD2  LEU  99          1HD2      LEU  99  -6.337   0.100  -5.780
  809   2HD2  LEU  99          2HD2      LEU  99  -7.722  -0.066  -4.700
  810   3HD2  LEU  99          3HD2      LEU  99  -6.089  -0.346  -4.093
  811    H    LEU 100           H        LEU 100  -6.729   5.058  -2.524
  812    HA   LEU 100           HA       LEU 100  -8.031   4.958  -0.064
  813   1HB   LEU 100          2HB       LEU 100  -6.194   6.994  -1.321
  814   2HB   LEU 100          1HB       LEU 100  -6.817   7.199   0.314
  815    HG   LEU 100           HG       LEU 100  -5.161   4.892  -0.745
  816   1HD1  LEU 100          1HD1      LEU 100  -4.294   6.237   1.690
  817   2HD1  LEU 100          2HD1      LEU 100  -4.428   7.358   0.335
  818   3HD1  LEU 100          3HD1      LEU 100  -3.399   5.932   0.202
  819   1HD2  LEU 100          1HD2      LEU 100  -5.395   4.610   2.009
  820   2HD2  LEU 100          2HD2      LEU 100  -6.246   3.645   0.803
  821   3HD2  LEU 100          3HD2      LEU 100  -7.025   5.061   1.510
  822    HA   PRO 101           HA       PRO 101 -10.385   8.830  -1.673
  823   1HB   PRO 101          2HB       PRO 101 -10.459   8.188  -4.561
  824   2HB   PRO 101          1HB       PRO 101 -10.220   9.761  -3.776
  825   1HG   PRO 101          2HG       PRO 101  -8.225   8.222  -4.980
  826   2HG   PRO 101          1HG       PRO 101  -7.940   9.515  -3.804
  827   1HD   PRO 101          2HD       PRO 101  -7.552   6.673  -3.455
  828   2HD   PRO 101          1HD       PRO 101  -7.196   7.986  -2.323
  829    H    LYS 102           H        LYS 102 -10.599   5.544  -2.355
  830    HA   LYS 102           HA       LYS 102 -13.346   5.550  -3.309
  831   1HB   LYS 102          2HB       LYS 102 -11.514   3.846  -3.896
  832   2HB   LYS 102          1HB       LYS 102 -11.766   3.203  -2.272
  833   1HG   LYS 102          2HG       LYS 102 -14.056   2.675  -2.738
  834   2HG   LYS 102          1HG       LYS 102 -14.015   3.562  -4.264
  835   1HD   LYS 102          2HD       LYS 102 -11.925   1.515  -4.081
  836   2HD   LYS 102          1HD       LYS 102 -13.554   0.844  -3.976
  837   1HE   LYS 102          2HE       LYS 102 -13.260   0.902  -6.282
  838   2HE   LYS 102          1HE       LYS 102 -14.023   2.468  -6.007
  839   1HZ   LYS 102          1HZ       LYS 102 -11.755   3.359  -5.855
  840   2HZ   LYS 102          2HZ       LYS 102 -12.117   2.799  -7.310
  841   3HZ   LYS 102          3HZ       LYS 102 -11.176   1.947  -6.337
  842    H    PHE 103           H        PHE 103 -11.625   5.146  -0.268
  843    HA   PHE 103           HA       PHE 103 -14.246   4.696   1.028
  844   1HB   PHE 103          2HB       PHE 103 -12.116   3.828   2.728
  845   2HB   PHE 103          1HB       PHE 103 -13.379   2.849   1.981
  846    HD1  PHE 103           HD1      PHE 103 -12.990   1.651  -0.096
  847    HD2  PHE 103           HD2      PHE 103  -9.938   4.126   1.634
  848    HE1  PHE 103           HE1      PHE 103 -11.328   0.690  -1.661
  849    HE2  PHE 103           HE2      PHE 103  -8.266   3.156   0.083
  850    HZ   PHE 103           HZ       PHE 103  -8.969   1.443  -1.577
  851    H    LYS 104           H        LYS 104 -11.934   6.965   0.541
  852    HA   LYS 104           HA       LYS 104 -11.557   7.932   3.220
  853   1HB   LYS 104          2HB       LYS 104 -10.687   8.618   0.552
  854   2HB   LYS 104          1HB       LYS 104 -11.262  10.061   1.388
  855   1HG   LYS 104          2HG       LYS 104  -9.464  10.090   2.746
  856   2HG   LYS 104          1HG       LYS 104  -9.665   8.383   3.147
  857   1HD   LYS 104          2HD       LYS 104  -7.873   7.918   1.875
  858   2HD   LYS 104          1HD       LYS 104  -8.777   8.463   0.464
  859   1HE   LYS 104          2HE       LYS 104  -7.221  10.308   2.298
  860   2HE   LYS 104          1HE       LYS 104  -6.601   9.673   0.773
  861   1HZ   LYS 104          1HZ       LYS 104  -7.559  11.510  -0.004
  862   2HZ   LYS 104          2HZ       LYS 104  -8.583  11.675   1.215
  863   3HZ   LYS 104          3HZ       LYS 104  -8.912  10.654   0.028
  864    H    ARG 105           H        ARG 105 -12.269  10.450   3.444
  865    HA   ARG 105           HA       ARG 105 -15.185  10.357   3.309
  866   1HB   ARG 105          2HB       ARG 105 -14.121  11.108   5.393
  867   2HB   ARG 105          1HB       ARG 105 -13.292  12.396   4.518
  868   1HG   ARG 105          2HG       ARG 105 -15.392  13.457   3.957
  869   2HG   ARG 105          1HG       ARG 105 -16.306  12.100   4.616
  870   1HD   ARG 105          2HD       ARG 105 -15.085  12.611   6.839
  871   2HD   ARG 105          1HD       ARG 105 -14.680  14.161   6.102
  872    HE   ARG 105           HE       ARG 105 -17.378  13.937   5.716
  873   1HH1  ARG 105          1HH2      ARG 105 -15.205  13.694   8.392
  874   2HH1  ARG 105          2HH2      ARG 105 -16.357  14.280   9.544
  875   1HH2  ARG 105          1HH1      ARG 105 -18.885  14.701   7.211
  876   2HH2  ARG 105          2HH1      ARG 105 -18.436  14.849   8.878
  877    H    LYS 106           H        LYS 106 -15.193  10.529   0.908
  878    HA   LYS 106           HA       LYS 106 -14.320  13.111  -0.159
  879   1HB   LYS 106          2HB       LYS 106 -15.299  10.526  -1.333
  880   2HB   LYS 106          1HB       LYS 106 -15.368  12.003  -2.296
  881   1HG   LYS 106          2HG       LYS 106 -12.809  11.821  -0.973
  882   2HG   LYS 106          1HG       LYS 106 -13.121  10.340  -1.878
  883   1HD   LYS 106          2HD       LYS 106 -12.251  11.608  -3.591
  884   2HD   LYS 106          1HD       LYS 106 -13.937  12.111  -3.720
  885   1HE   LYS 106          2HE       LYS 106 -13.310  13.959  -2.021
  886   2HE   LYS 106          1HE       LYS 106 -11.637  13.576  -2.431
  887   1HZ   LYS 106          1HZ       LYS 106 -11.940  14.867  -4.166
  888   2HZ   LYS 106          2HZ       LYS 106 -13.515  15.009  -3.924
  889   3HZ   LYS 106          3HZ       LYS 106 -12.946  13.787  -4.786
  890    H    ALA 107           H        ALA 107 -15.729  14.766   0.187
  891    HA   ALA 107           HA       ALA 107 -18.614  14.157   0.149
  892   1HB   ALA 107          1HB       ALA 107 -18.000  15.340   2.131
  893   2HB   ALA 107          2HB       ALA 107 -18.757  16.534   1.077
  894   3HB   ALA 107          3HB       ALA 107 -17.001  16.477   1.226
  895    H    ASN 108           H        ASN 108 -17.516  14.062  -2.353
  896    HA   ASN 108           HA       ASN 108 -18.139  16.712  -3.511
  897   1HB   ASN 108          2HB       ASN 108 -15.879  15.233  -3.869
  898   2HB   ASN 108          1HB       ASN 108 -16.869  14.647  -5.207
  899   1HD2  ASN 108          1HD2      ASN 108 -14.450  16.563  -5.128
  900   2HD2  ASN 108          2HD2      ASN 108 -14.983  17.927  -5.986
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -22.795 -14.296  -5.879
    2   2H    MET   1          2H        MET   1 -22.964 -15.438  -6.987
    3   3H    MET   1          3H        MET   1 -22.902 -13.901  -7.427
    4    HA   MET   1           HA       MET   1 -20.686 -13.712  -7.251
    5   1HB   MET   1          2HB       MET   1 -19.485 -15.428  -5.705
    6   2HB   MET   1          1HB       MET   1 -20.413 -14.133  -4.949
    7   1HG   MET   1          2HG       MET   1 -22.021 -16.509  -5.588
    8   2HG   MET   1          1HG       MET   1 -20.737 -16.819  -4.420
    9   1HE   MET   1          1HE       MET   1 -22.742 -16.265  -1.444
   10   2HE   MET   1          2HE       MET   1 -21.150 -16.686  -2.070
   11   3HE   MET   1          3HE       MET   1 -22.583 -17.474  -2.725
   12    H    ALA   2           H        ALA   2 -19.152 -14.725  -8.591
   13    HA   ALA   2           HA       ALA   2 -19.743 -17.488  -9.426
   14   1HB   ALA   2          1HB       ALA   2 -20.452 -15.270 -10.960
   15   2HB   ALA   2          2HB       ALA   2 -20.271 -16.924 -11.546
   16   3HB   ALA   2          3HB       ALA   2 -18.919 -15.796 -11.654
   17    H    THR   3           H        THR   3 -17.783 -17.585 -11.449
   18    HA   THR   3           HA       THR   3 -15.480 -18.209 -10.091
   19    HB   THR   3           HB       THR   3 -14.453 -17.310 -12.456
   20    HG1  THR   3           HG1      THR   3 -16.046 -16.749 -13.676
   21   1HG2  THR   3          1HG2      THR   3 -16.087 -19.813 -12.514
   22   2HG2  THR   3          2HG2      THR   3 -14.793 -19.688 -11.321
   23   3HG2  THR   3          3HG2      THR   3 -14.425 -19.547 -13.040
   24    H    SER   4           H        SER   4 -16.138 -15.088 -11.726
   25    HA   SER   4           HA       SER   4 -13.826 -13.753 -11.050
   26   1HB   SER   4          2HB       SER   4 -16.552 -12.472 -10.847
   27   2HB   SER   4          1HB       SER   4 -15.036 -11.727 -11.346
   28    HG   SER   4           HG       SER   4 -16.664 -13.584 -12.714
   29    H    SER   5           H        SER   5 -12.950 -13.031  -9.155
   30    HA   SER   5           HA       SER   5 -14.664 -13.200  -6.746
   31   1HB   SER   5          2HB       SER   5 -11.660 -13.531  -6.819
   32   2HB   SER   5          1HB       SER   5 -12.755 -13.906  -5.491
   33    HG   SER   5           HG       SER   5 -13.690 -15.506  -6.864
   34    H    GLU   6           H        GLU   6 -12.241 -11.989  -5.306
   35    HA   GLU   6           HA       GLU   6 -13.111  -9.304  -5.406
   36   1HB   GLU   6          2HB       GLU   6 -10.371 -10.191  -4.500
   37   2HB   GLU   6          1HB       GLU   6 -11.327  -8.832  -3.911
   38   1HG   GLU   6          2HG       GLU   6 -11.941 -10.263  -2.255
   39   2HG   GLU   6          1HG       GLU   6 -13.041 -10.916  -3.469
   40    H    GLU   7           H        GLU   7 -11.733  -7.453  -6.073
   41    HA   GLU   7           HA       GLU   7 -10.151  -8.133  -8.487
   42   1HB   GLU   7          2HB       GLU   7 -11.879  -5.689  -7.985
   43   2HB   GLU   7          1HB       GLU   7 -10.898  -5.971  -9.424
   44   1HG   GLU   7          2HG       GLU   7 -12.443  -8.308  -9.072
   45   2HG   GLU   7          1HG       GLU   7 -13.546  -6.954  -8.820
   46    H    VAL   8           H        VAL   8  -7.970  -7.776  -7.911
   47    HA   VAL   8           HA       VAL   8  -7.466  -5.662  -5.971
   48    HB   VAL   8           HB       VAL   8  -5.386  -6.722  -5.595
   49   1HG1  VAL   8          1HG1      VAL   8  -7.791  -8.278  -5.676
   50   2HG1  VAL   8          2HG1      VAL   8  -6.417  -8.442  -4.582
   51   3HG1  VAL   8          3HG1      VAL   8  -6.436  -9.320  -6.112
   52   1HG2  VAL   8          1HG2      VAL   8  -4.405  -8.367  -7.112
   53   2HG2  VAL   8          2HG2      VAL   8  -4.773  -6.897  -8.014
   54   3HG2  VAL   8          3HG2      VAL   8  -5.830  -8.302  -8.149
   55    H    LEU   9           H        LEU   9  -5.820  -4.137  -6.374
   56    HA   LEU   9           HA       LEU   9  -5.797  -3.325  -9.201
   57   1HB   LEU   9          2HB       LEU   9  -6.591  -1.618  -7.751
   58   2HB   LEU   9          1HB       LEU   9  -5.242  -1.837  -6.639
   59    HG   LEU   9           HG       LEU   9  -3.673  -0.973  -8.261
   60   1HD1  LEU   9          1HD1      LEU   9  -5.165  -0.027 -10.402
   61   2HD1  LEU   9          2HD1      LEU   9  -5.863  -1.618 -10.097
   62   3HD1  LEU   9          3HD1      LEU   9  -4.137  -1.460 -10.423
   63   1HD2  LEU   9          1HD2      LEU   9  -6.188   0.592  -7.780
   64   2HD2  LEU   9          2HD2      LEU   9  -4.947   1.277  -8.830
   65   3HD2  LEU   9          3HD2      LEU   9  -4.562   0.874  -7.157
   66    H    LEU  10           H        LEU  10  -3.282  -3.586  -6.524
   67    HA   LEU  10           HA       LEU  10  -1.456  -4.428  -8.627
   68   1HB   LEU  10          2HB       LEU  10  -1.351  -2.030  -8.963
   69   2HB   LEU  10          1HB       LEU  10  -1.050  -1.767  -7.245
   70    HG   LEU  10           HG       LEU  10   0.796  -3.683  -8.507
   71   1HD1  LEU  10          1HD1      LEU  10   0.176  -1.398 -10.007
   72   2HD1  LEU  10          2HD1      LEU  10   1.601  -2.420 -10.193
   73   3HD1  LEU  10          3HD1      LEU  10   1.670  -0.989  -9.164
   74   1HD2  LEU  10          1HD2      LEU  10   1.010  -1.236  -6.737
   75   2HD2  LEU  10          2HD2      LEU  10   2.422  -2.130  -7.299
   76   3HD2  LEU  10          3HD2      LEU  10   1.225  -2.924  -6.275
   77    H    ILE  11           H        ILE  11   0.443  -5.378  -7.807
   78    HA   ILE  11           HA       ILE  11   0.726  -5.337  -4.883
   79    HB   ILE  11           HB       ILE  11  -0.456  -7.307  -5.029
   80   1HG1  ILE  11          2HG1      ILE  11   1.224  -9.200  -5.067
   81   2HG1  ILE  11          1HG1      ILE  11   2.435  -8.073  -5.511
   82   1HG2  ILE  11          1HG2      ILE  11   0.946  -7.839  -7.653
   83   2HG2  ILE  11          2HG2      ILE  11  -0.722  -7.299  -7.457
   84   3HG2  ILE  11          3HG2      ILE  11  -0.245  -8.906  -6.910
   85   1HD1  ILE  11          1HD1      ILE  11   1.437  -8.715  -2.921
   86   2HD1  ILE  11          2HD1      ILE  11   1.096  -7.032  -3.255
   87   3HD1  ILE  11          3HD1      ILE  11   2.749  -7.621  -3.338
   88    H    VAL  12           H        VAL  12   2.682  -5.812  -4.167
   89    HA   VAL  12           HA       VAL  12   4.832  -6.190  -6.139
   90    HB   VAL  12           HB       VAL  12   6.214  -4.488  -4.977
   91   1HG1  VAL  12          1HG1      VAL  12   4.988  -2.540  -5.881
   92   2HG1  VAL  12          2HG1      VAL  12   3.518  -3.510  -5.976
   93   3HG1  VAL  12          3HG1      VAL  12   4.903  -3.909  -6.992
   94   1HG2  VAL  12          1HG2      VAL  12   5.506  -3.312  -3.186
   95   2HG2  VAL  12          2HG2      VAL  12   4.491  -4.725  -2.907
   96   3HG2  VAL  12          3HG2      VAL  12   3.826  -3.299  -3.706
   97    H    LYS  13           H        LYS  13   5.782  -7.936  -5.683
   98    HA   LYS  13           HA       LYS  13   5.703  -9.431  -3.318
   99   1HB   LYS  13          2HB       LYS  13   7.165 -10.890  -4.443
  100   2HB   LYS  13          1HB       LYS  13   6.288 -10.080  -5.733
  101   1HG   LYS  13          2HG       LYS  13   8.522  -8.443  -5.154
  102   2HG   LYS  13          1HG       LYS  13   9.119 -10.099  -5.258
  103   1HD   LYS  13          2HD       LYS  13   7.220  -9.011  -7.327
  104   2HD   LYS  13          1HD       LYS  13   8.954  -8.712  -7.449
  105   1HE   LYS  13          2HE       LYS  13   9.085 -11.331  -7.009
  106   2HE   LYS  13          1HE       LYS  13   7.454 -11.291  -7.678
  107   1HZ   LYS  13          1HZ       LYS  13   8.793 -11.493  -9.504
  108   2HZ   LYS  13          2HZ       LYS  13   9.937 -10.519  -8.953
  109   3HZ   LYS  13          3HZ       LYS  13   8.551  -9.911  -9.475
  110    H    LYS  14           H        LYS  14   7.509  -6.749  -4.137
  111    HA   LYS  14           HA       LYS  14   9.359  -7.301  -1.891
  112   1HB   LYS  14          2HB       LYS  14  10.116  -6.942  -4.469
  113   2HB   LYS  14          1HB       LYS  14  10.175  -5.281  -3.883
  114   1HG   LYS  14          2HG       LYS  14  12.339  -6.464  -3.553
  115   2HG   LYS  14          1HG       LYS  14  11.621  -5.962  -2.022
  116   1HD   LYS  14          2HD       LYS  14  11.121  -8.119  -1.387
  117   2HD   LYS  14          1HD       LYS  14  10.903  -8.670  -3.049
  118   1HE   LYS  14          2HE       LYS  14  13.543  -8.031  -3.096
  119   2HE   LYS  14          1HE       LYS  14  13.371  -8.530  -1.413
  120   1HZ   LYS  14          1HZ       LYS  14  12.609 -10.102  -3.749
  121   2HZ   LYS  14          2HZ       LYS  14  12.355 -10.551  -2.235
  122   3HZ   LYS  14          3HZ       LYS  14  13.851 -10.397  -2.782
  123    H    VAL  15           H        VAL  15   9.105  -5.998  -0.204
  124    HA   VAL  15           HA       VAL  15   8.740  -3.198  -0.644
  125    HB   VAL  15           HB       VAL  15   6.406  -4.665   0.558
  126   1HG1  VAL  15          1HG1      VAL  15   5.660  -2.592   1.550
  127   2HG1  VAL  15          2HG1      VAL  15   7.047  -1.724   0.895
  128   3HG1  VAL  15          3HG1      VAL  15   7.276  -2.912   2.181
  129   1HG2  VAL  15          1HG2      VAL  15   5.788  -4.099  -1.540
  130   2HG2  VAL  15          2HG2      VAL  15   7.070  -2.897  -1.697
  131   3HG2  VAL  15          3HG2      VAL  15   5.579  -2.491  -0.848
  132    H    ARG  16           H        ARG  16   9.234  -1.987   1.192
  133    HA   ARG  16           HA       ARG  16  10.525  -3.609   3.309
  134   1HB   ARG  16          2HB       ARG  16  12.038  -2.414   1.606
  135   2HB   ARG  16          1HB       ARG  16  11.420  -0.906   2.265
  136   1HG   ARG  16          2HG       ARG  16  13.485  -1.447   3.405
  137   2HG   ARG  16          1HG       ARG  16  12.138  -1.663   4.531
  138   1HD   ARG  16          2HD       ARG  16  12.484  -4.094   3.089
  139   2HD   ARG  16          1HD       ARG  16  14.068  -3.602   3.682
  140    HE   ARG  16           HE       ARG  16  11.951  -4.697   5.200
  141   1HH1  ARG  16          1HH2      ARG  16  14.204  -2.068   5.260
  142   2HH1  ARG  16          2HH2      ARG  16  14.080  -1.836   6.969
  143   1HH2  ARG  16          1HH1      ARG  16  11.823  -4.407   7.447
  144   2HH2  ARG  16          2HH1      ARG  16  12.748  -3.155   8.200
  145    H    GLN  17           H        GLN  17   9.916  -3.096   5.289
  146    HA   GLN  17           HA       GLN  17   8.849  -0.411   5.764
  147   1HB   GLN  17          2HB       GLN  17   6.918  -1.254   6.913
  148   2HB   GLN  17          1HB       GLN  17   6.965  -2.109   5.383
  149   1HG   GLN  17          2HG       GLN  17   8.000  -4.025   6.474
  150   2HG   GLN  17          1HG       GLN  17   8.027  -3.150   8.005
  151   1HE2  GLN  17          1HE2      GLN  17   5.836  -2.506   8.900
  152   2HE2  GLN  17          2HE2      GLN  17   4.494  -3.481   8.542
  153    H    LYS  18           H        LYS  18   9.854   0.380   7.561
  154    HA   LYS  18           HA       LYS  18  12.103  -0.520   8.606
  155   1HB   LYS  18          2HB       LYS  18  10.009   1.208   9.629
  156   2HB   LYS  18          1HB       LYS  18  10.868   0.393  10.937
  157   1HG   LYS  18          2HG       LYS  18  12.384   2.074  10.666
  158   2HG   LYS  18          1HG       LYS  18  12.949   1.090   9.315
  159   1HD   LYS  18          2HD       LYS  18  10.696   2.635   8.441
  160   2HD   LYS  18          1HD       LYS  18  11.855   3.715   9.217
  161   1HE   LYS  18          2HE       LYS  18  13.104   3.641   7.347
  162   2HE   LYS  18          1HE       LYS  18  13.378   1.925   7.645
  163   1HZ   LYS  18          1HZ       LYS  18  11.099   1.712   6.564
  164   2HZ   LYS  18          2HZ       LYS  18  12.369   1.944   5.619
  165   3HZ   LYS  18          3HZ       LYS  18  11.388   3.163   5.953
  166    H    LYS  19           H        LYS  19   9.033  -2.045   9.332
  167    HA   LYS  19           HA       LYS  19  10.051  -3.482  11.593
  168   1HB   LYS  19          2HB       LYS  19   7.893  -4.186  11.808
  169   2HB   LYS  19          1HB       LYS  19   7.530  -3.006  10.558
  170   1HG   LYS  19          2HG       LYS  19   7.569  -4.717   8.826
  171   2HG   LYS  19          1HG       LYS  19   8.254  -5.898   9.931
  172   1HD   LYS  19          2HD       LYS  19   5.596  -4.617  10.504
  173   2HD   LYS  19          1HD       LYS  19   5.717  -5.978   9.381
  174   1HE   LYS  19          2HE       LYS  19   7.242  -6.850  11.500
  175   2HE   LYS  19          1HE       LYS  19   5.978  -5.935  12.321
  176   1HZ   LYS  19          1HZ       LYS  19   4.966  -7.912  12.051
  177   2HZ   LYS  19          2HZ       LYS  19   5.734  -8.296  10.700
  178   3HZ   LYS  19          3HZ       LYS  19   4.522  -7.252  10.661
  179    H    GLN  20           H        GLN  20   9.226  -4.469   8.283
  180    HA   GLN  20           HA       GLN  20  11.388  -6.415   8.251
  181   1HB   GLN  20          2HB       GLN  20   9.731  -7.733   9.255
  182   2HB   GLN  20          1HB       GLN  20   8.449  -6.999   8.311
  183   1HG   GLN  20          2HG       GLN  20   9.197  -8.132   6.300
  184   2HG   GLN  20          1HG       GLN  20  10.635  -8.721   7.128
  185   1HE2  GLN  20          1HE2      GLN  20  10.027 -10.025   9.273
  186   2HE2  GLN  20          2HE2      GLN  20   8.754 -11.134   9.096
  187    H    ASP  21           H        ASP  21  11.407  -7.490   5.998
  188    HA   ASP  21           HA       ASP  21  10.465  -5.487   4.037
  189   1HB   ASP  21          2HB       ASP  21  12.276  -7.696   3.175
  190   2HB   ASP  21          1HB       ASP  21  12.302  -5.994   2.703
  191    H    GLY  22           H        GLY  22   8.857  -6.208   2.802
  192   1HA   GLY  22          2HA       GLY  22   8.288  -9.008   2.458
  193   2HA   GLY  22          1HA       GLY  22   7.186  -8.201   3.547
  194    H    ALA  23           H        ALA  23   6.332  -9.275   1.113
  195    HA   ALA  23           HA       ALA  23   6.156  -7.228  -0.842
  196   1HB   ALA  23          1HB       ALA  23   4.619  -8.838  -1.941
  197   2HB   ALA  23          2HB       ALA  23   4.692  -9.845  -0.497
  198   3HB   ALA  23          3HB       ALA  23   6.144  -9.578  -1.457
  199    H    LEU  24           H        LEU  24   4.732  -5.876  -1.151
  200    HA   LEU  24           HA       LEU  24   2.390  -5.635   0.662
  201   1HB   LEU  24          2HB       LEU  24   4.294  -3.766  -0.418
  202   2HB   LEU  24          1HB       LEU  24   2.679  -3.248  -0.849
  203    HG   LEU  24           HG       LEU  24   3.832  -3.745   1.890
  204   1HD1  LEU  24          1HD1      LEU  24   3.018  -1.456   0.206
  205   2HD1  LEU  24          2HD1      LEU  24   4.162  -1.510   1.542
  206   3HD1  LEU  24          3HD1      LEU  24   2.434  -1.372   1.865
  207   1HD2  LEU  24          1HD2      LEU  24   1.399  -3.039   2.563
  208   2HD2  LEU  24          2HD2      LEU  24   1.714  -4.725   2.153
  209   3HD2  LEU  24          3HD2      LEU  24   0.963  -3.656   0.969
  210    H    TYR  25           H        TYR  25   0.378  -5.752  -0.069
  211    HA   TYR  25           HA       TYR  25  -0.173  -6.074  -2.961
  212   1HB   TYR  25          2HB       TYR  25  -1.369  -7.183  -0.421
  213   2HB   TYR  25          1HB       TYR  25  -2.320  -7.117  -1.898
  214    HD1  TYR  25           HD1      TYR  25   0.257  -8.881  -0.068
  215    HD2  TYR  25           HD2      TYR  25  -1.499  -8.305  -3.929
  216    HE1  TYR  25           HE1      TYR  25   1.271 -11.015  -0.838
  217    HE2  TYR  25           HE2      TYR  25  -0.444 -10.408  -4.725
  218    HH   TYR  25           HH       TYR  25   1.981 -11.871  -3.421
  219    H    LEU  26           H        LEU  26  -1.605  -4.465  -3.875
  220    HA   LEU  26           HA       LEU  26  -2.980  -2.843  -1.846
  221   1HB   LEU  26          2HB       LEU  26  -1.430  -1.570  -3.307
  222   2HB   LEU  26          1HB       LEU  26  -2.248  -2.218  -4.730
  223    HG   LEU  26           HG       LEU  26  -4.133  -1.056  -2.836
  224   1HD1  LEU  26          1HD1      LEU  26  -1.705   0.316  -2.989
  225   2HD1  LEU  26          2HD1      LEU  26  -3.248   0.979  -2.450
  226   3HD1  LEU  26          3HD1      LEU  26  -2.754   1.154  -4.134
  227   1HD2  LEU  26          1HD2      LEU  26  -3.998   0.317  -5.335
  228   2HD2  LEU  26          2HD2      LEU  26  -5.190  -0.873  -4.814
  229   3HD2  LEU  26          3HD2      LEU  26  -3.727  -1.397  -5.648
  230    H    MET  27           H        MET  27  -5.177  -3.071  -1.860
  231    HA   MET  27           HA       MET  27  -6.355  -4.518  -4.153
  232   1HB   MET  27          2HB       MET  27  -6.431  -5.937  -2.203
  233   2HB   MET  27          1HB       MET  27  -7.024  -4.614  -1.203
  234   1HG   MET  27          2HG       MET  27  -9.170  -4.885  -1.902
  235   2HG   MET  27          1HG       MET  27  -8.681  -5.156  -3.574
  236   1HE   MET  27          1HE       MET  27  -9.318  -8.603  -4.183
  237   2HE   MET  27          2HE       MET  27  -8.792  -7.011  -4.723
  238   3HE   MET  27          3HE       MET  27 -10.401  -7.213  -4.036
  239    H    ALA  28           H        ALA  28  -8.474  -3.834  -4.758
  240    HA   ALA  28           HA       ALA  28  -8.956  -1.234  -5.141
  241   1HB   ALA  28          1HB       ALA  28 -11.483  -2.369  -4.423
  242   2HB   ALA  28          2HB       ALA  28 -10.513  -3.618  -5.207
  243   3HB   ALA  28          3HB       ALA  28 -10.825  -2.091  -6.036
  244    H    GLU  29           H        GLU  29 -10.342  -2.920  -2.205
  245    HA   GLU  29           HA       GLU  29 -10.718  -0.231  -1.108
  246   1HB   GLU  29          2HB       GLU  29 -12.698  -1.569  -1.191
  247   2HB   GLU  29          1HB       GLU  29 -11.849  -2.959  -0.514
  248   1HG   GLU  29          2HG       GLU  29 -12.094  -2.218   1.621
  249   2HG   GLU  29          1HG       GLU  29 -11.753  -0.544   1.189
  250    H    ARG  30           H        ARG  30  -8.218  -2.473  -0.877
  251    HA   ARG  30           HA       ARG  30  -7.597  -1.369   1.737
  252   1HB   ARG  30          2HB       ARG  30  -7.724  -3.257   3.050
  253   2HB   ARG  30          1HB       ARG  30  -9.140  -3.436   2.032
  254   1HG   ARG  30          2HG       ARG  30  -6.998  -4.644   0.636
  255   2HG   ARG  30          1HG       ARG  30  -6.870  -5.179   2.312
  256   1HD   ARG  30          2HD       ARG  30  -8.347  -6.707   1.122
  257   2HD   ARG  30          1HD       ARG  30  -9.305  -5.760   2.256
  258    HE   ARG  30           HE       ARG  30  -9.335  -4.340  -0.126
  259   1HH1  ARG  30          1HH2      ARG  30 -10.154  -7.506   0.996
  260   2HH1  ARG  30          2HH2      ARG  30 -11.419  -7.730  -0.164
  261   1HH2  ARG  30          1HH1      ARG  30 -10.993  -4.622  -1.637
  262   2HH2  ARG  30          2HH1      ARG  30 -11.893  -6.101  -1.652
  263    H    ILE  31           H        ILE  31  -5.568  -2.120   2.627
  264    HA   ILE  31           HA       ILE  31  -3.650  -2.725   0.450
  265    HB   ILE  31           HB       ILE  31  -3.570  -0.945   2.863
  266   1HG1  ILE  31          2HG1      ILE  31  -3.768  -0.234   0.421
  267   2HG1  ILE  31          1HG1      ILE  31  -2.467   0.530   1.334
  268   1HG2  ILE  31          1HG2      ILE  31  -0.914  -1.119   2.331
  269   2HG2  ILE  31          2HG2      ILE  31  -1.380  -2.800   2.073
  270   3HG2  ILE  31          3HG2      ILE  31  -1.695  -2.027   3.625
  271   1HD1  ILE  31          1HD1      ILE  31  -2.187  -0.826  -1.083
  272   2HD1  ILE  31          2HD1      ILE  31  -1.623  -1.987   0.119
  273   3HD1  ILE  31          3HD1      ILE  31  -0.879  -0.391   0.018
  274    H    ALA  32           H        ALA  32  -2.359  -4.553   0.696
  275    HA   ALA  32           HA       ALA  32  -2.695  -6.031   3.235
  276   1HB   ALA  32          1HB       ALA  32  -3.788  -7.557   1.992
  277   2HB   ALA  32          2HB       ALA  32  -2.206  -7.955   1.324
  278   3HB   ALA  32          3HB       ALA  32  -3.260  -6.820   0.480
  279    H    TRP  33           H        TRP  33  -1.009  -7.249   3.926
  280    HA   TRP  33           HA       TRP  33   1.573  -6.692   2.547
  281   1HB   TRP  33          2HB       TRP  33   1.374  -5.443   4.696
  282   2HB   TRP  33          1HB       TRP  33   1.245  -6.988   5.522
  283    HD1  TRP  33           HD1      TRP  33   3.489  -6.058   2.580
  284    HE1  TRP  33           HE1      TRP  33   5.912  -6.465   3.302
  285    HE3  TRP  33           HE3      TRP  33   2.868  -7.645   7.410
  286    HZ2  TRP  33           HZ2      TRP  33   7.413  -7.289   5.435
  287    HZ3  TRP  33           HZ3      TRP  33   4.860  -8.301   8.737
  288    HH2  TRP  33           HH2      TRP  33   7.133  -8.156   7.728
  289    H    ALA  34           H        ALA  34   3.019  -8.381   2.425
  290    HA   ALA  34           HA       ALA  34   2.398 -10.857   3.819
  291   1HB   ALA  34          1HB       ALA  34   1.378 -10.524   1.294
  292   2HB   ALA  34          2HB       ALA  34   1.705 -12.074   2.072
  293   3HB   ALA  34          3HB       ALA  34   2.902 -11.360   0.988
  294    HA   PRO  35           HA       PRO  35   6.733 -11.168   3.009
  295   1HB   PRO  35          2HB       PRO  35   6.978 -13.760   4.207
  296   2HB   PRO  35          1HB       PRO  35   7.248 -12.189   4.975
  297   1HG   PRO  35          2HG       PRO  35   5.046 -14.010   5.387
  298   2HG   PRO  35          1HG       PRO  35   5.349 -12.462   6.188
  299   1HD   PRO  35          2HD       PRO  35   3.350 -13.049   4.212
  300   2HD   PRO  35          1HD       PRO  35   3.689 -11.493   4.989
  301    H    GLU  36           H        GLU  36   8.246 -13.523   2.587
  302    HA   GLU  36           HA       GLU  36   7.185 -14.324  -0.048
  303   1HB   GLU  36          2HB       GLU  36   9.722 -13.439   0.777
  304   2HB   GLU  36          1HB       GLU  36   9.903 -15.171   0.494
  305   1HG   GLU  36          2HG       GLU  36   8.555 -13.310  -1.477
  306   2HG   GLU  36          1HG       GLU  36  10.271 -13.710  -1.550
  307    H    GLY  37           H        GLY  37   5.743 -15.938   0.914
  308   1HA   GLY  37          2HA       GLY  37   7.096 -18.473   1.255
  309   2HA   GLY  37          1HA       GLY  37   6.273 -17.900   2.705
  310    H    LYS  38           H        LYS  38   3.929 -16.933   1.987
  311    HA   LYS  38           HA       LYS  38   2.638 -19.231   0.689
  312   1HB   LYS  38          2HB       LYS  38   1.588 -16.961   2.393
  313   2HB   LYS  38          1HB       LYS  38   0.543 -18.147   1.609
  314   1HG   LYS  38          2HG       LYS  38   2.481 -19.711   2.845
  315   2HG   LYS  38          1HG       LYS  38   2.181 -18.425   4.015
  316   1HD   LYS  38          2HD       LYS  38  -0.115 -18.945   4.180
  317   2HD   LYS  38          1HD       LYS  38  -0.103 -19.870   2.677
  318   1HE   LYS  38          2HE       LYS  38   1.789 -20.916   4.648
  319   2HE   LYS  38          1HE       LYS  38   0.125 -20.935   5.232
  320   1HZ   LYS  38          1HZ       LYS  38   1.307 -22.499   3.213
  321   2HZ   LYS  38          2HZ       LYS  38  -0.044 -21.807   2.707
  322   3HZ   LYS  38          3HZ       LYS  38  -0.062 -22.741   4.007
  323    H    ASP  39           H        ASP  39   0.371 -18.218  -0.338
  324    HA   ASP  39           HA       ASP  39   1.340 -16.296  -2.374
  325   1HB   ASP  39          2HB       ASP  39  -0.455 -17.367  -3.821
  326   2HB   ASP  39          1HB       ASP  39   0.915 -18.407  -3.431
  327    H    ARG  40           H        ARG  40   0.345 -15.228  -0.042
  328    HA   ARG  40           HA       ARG  40  -2.020 -13.868  -1.029
  329   1HB   ARG  40          2HB       ARG  40  -3.381 -14.384   0.953
  330   2HB   ARG  40          1HB       ARG  40  -2.982 -15.848   0.060
  331   1HG   ARG  40          2HG       ARG  40  -1.150 -16.336   1.615
  332   2HG   ARG  40          1HG       ARG  40  -1.481 -14.842   2.492
  333   1HD   ARG  40          2HD       ARG  40  -3.806 -16.640   2.133
  334   2HD   ARG  40          1HD       ARG  40  -2.532 -17.253   3.186
  335    HE   ARG  40           HE       ARG  40  -2.912 -14.681   4.039
  336   1HH1  ARG  40          1HH2      ARG  40  -4.896 -17.452   3.465
  337   2HH1  ARG  40          2HH2      ARG  40  -6.041 -17.046   4.698
  338   1HH2  ARG  40          1HH1      ARG  40  -4.400 -14.144   5.647
  339   2HH2  ARG  40          2HH1      ARG  40  -5.761 -15.176   5.932
  340    H    PHE  41           H        PHE  41  -2.461 -13.147   1.986
  341    HA   PHE  41           HA       PHE  41  -0.052 -11.462   2.139
  342   1HB   PHE  41          2HB       PHE  41  -2.517 -10.368   3.318
  343   2HB   PHE  41          1HB       PHE  41  -1.212  -9.552   2.467
  344    HD1  PHE  41           HD1      PHE  41  -4.466  -9.791   2.288
  345    HD2  PHE  41           HD2      PHE  41  -1.106 -10.948  -0.102
  346    HE1  PHE  41           HE1      PHE  41  -5.888  -9.687   0.245
  347    HE2  PHE  41           HE2      PHE  41  -2.506 -10.837  -2.151
  348    HZ   PHE  41           HZ       PHE  41  -4.904 -10.212  -1.974
  349    H    THR  42           H        THR  42  -0.059 -10.310   4.258
  350    HA   THR  42           HA       THR  42  -0.583 -12.128   6.517
  351    HB   THR  42           HB       THR  42   1.907 -11.552   5.476
  352    HG1  THR  42           HG1      THR  42   2.606 -11.997   7.703
  353   1HG2  THR  42          1HG2      THR  42   1.340  -9.449   7.584
  354   2HG2  THR  42          2HG2      THR  42   1.821  -9.176   5.908
  355   3HG2  THR  42          3HG2      THR  42   2.956  -9.902   7.043
  356    H    ILE  43           H        ILE  43  -1.460  -9.378   4.986
  357    HA   ILE  43           HA       ILE  43  -2.451  -8.164   7.431
  358    HB   ILE  43           HB       ILE  43  -0.044  -7.236   6.272
  359   1HG1  ILE  43          2HG1      ILE  43  -1.848  -6.503   8.528
  360   2HG1  ILE  43          1HG1      ILE  43  -0.183  -7.088   8.568
  361   1HG2  ILE  43          1HG2      ILE  43  -0.457  -4.998   5.596
  362   2HG2  ILE  43          2HG2      ILE  43  -2.099  -5.025   6.234
  363   3HG2  ILE  43          3HG2      ILE  43  -1.711  -5.915   4.771
  364   1HD1  ILE  43          1HD1      ILE  43   0.293  -4.891   8.992
  365   2HD1  ILE  43          2HD1      ILE  43  -1.215  -4.336   8.263
  366   3HD1  ILE  43          3HD1      ILE  43   0.160  -4.747   7.234
  367    H    SER  44           H        SER  44  -4.131  -6.614   6.988
  368    HA   SER  44           HA       SER  44  -4.745  -5.965   4.266
  369   1HB   SER  44          2HB       SER  44  -7.069  -7.106   4.474
  370   2HB   SER  44          1HB       SER  44  -5.685  -8.109   4.046
  371    HG   SER  44           HG       SER  44  -6.727  -9.129   5.706
  372    H    HIS  45           H        HIS  45  -5.039  -3.818   4.820
  373    HA   HIS  45           HA       HIS  45  -7.005  -3.290   6.969
  374   1HB   HIS  45          2HB       HIS  45  -5.712  -0.921   6.032
  375   2HB   HIS  45          1HB       HIS  45  -5.709  -1.599   7.655
  376    HD1  HIS  45           HD1      HIS  45  -3.439  -2.155   8.475
  377    HD2  HIS  45           HD2      HIS  45  -3.625  -2.353   4.320
  378    HE1  HIS  45           HE1      HIS  45  -1.082  -2.606   7.670
  379    H    MET  46           H        MET  46  -8.983  -2.846   6.147
  380    HA   MET  46           HA       MET  46  -9.445  -2.207   3.432
  381   1HB   MET  46          2HB       MET  46 -11.008  -2.676   5.812
  382   2HB   MET  46          1HB       MET  46 -11.619  -1.259   4.959
  383   1HG   MET  46          2HG       MET  46 -12.647  -2.660   3.525
  384   2HG   MET  46          1HG       MET  46 -11.051  -3.139   2.948
  385   1HE   MET  46          1HE       MET  46 -14.129  -4.479   3.581
  386   2HE   MET  46          2HE       MET  46 -13.695  -6.175   3.778
  387   3HE   MET  46          3HE       MET  46 -13.017  -5.249   2.442
  388    H    TYR  47           H        TYR  47  -8.856  -0.369   2.535
  389    HA   TYR  47           HA       TYR  47  -7.896   1.903   3.621
  390   1HB   TYR  47          2HB       TYR  47  -9.458   1.396   1.119
  391   2HB   TYR  47          1HB       TYR  47  -9.159   3.064   1.584
  392    HD1  TYR  47           HD1      TYR  47  -8.074   1.765  -0.908
  393    HD2  TYR  47           HD2      TYR  47  -6.349   2.079   3.026
  394    HE1  TYR  47           HE1      TYR  47  -5.827   1.665  -1.868
  395    HE2  TYR  47           HE2      TYR  47  -4.107   1.979   2.036
  396    HH   TYR  47           HH       TYR  47  -2.919   1.934   0.167
  397    H    ALA  48           H        ALA  48 -11.425   1.261   3.246
  398    HA   ALA  48           HA       ALA  48 -12.195   3.776   4.397
  399   1HB   ALA  48          1HB       ALA  48 -13.701   1.136   4.396
  400   2HB   ALA  48          2HB       ALA  48 -13.746   2.312   3.082
  401   3HB   ALA  48          3HB       ALA  48 -14.397   2.734   4.666
  402    H    ASP  49           H        ASP  49 -11.647   0.559   5.582
  403    HA   ASP  49           HA       ASP  49 -12.218   0.951   8.347
  404   1HB   ASP  49          2HB       ASP  49 -10.326  -0.978   6.979
  405   2HB   ASP  49          1HB       ASP  49 -10.778  -1.063   8.682
  406    H    ILE  50           H        ILE  50  -9.888   2.356   6.464
  407    HA   ILE  50           HA       ILE  50  -8.241   2.934   8.841
  408    HB   ILE  50           HB       ILE  50  -7.461   1.963   6.123
  409   1HG1  ILE  50          2HG1      ILE  50  -6.581   1.556   8.971
  410   2HG1  ILE  50          1HG1      ILE  50  -7.222   0.371   7.837
  411   1HG2  ILE  50          1HG2      ILE  50  -5.858   3.472   5.747
  412   2HG2  ILE  50          2HG2      ILE  50  -5.136   3.142   7.316
  413   3HG2  ILE  50          3HG2      ILE  50  -6.356   4.387   7.153
  414   1HD1  ILE  50          1HD1      ILE  50  -5.148   0.734   6.430
  415   2HD1  ILE  50          2HD1      ILE  50  -4.842  -0.015   7.996
  416   3HD1  ILE  50          3HD1      ILE  50  -4.500   1.695   7.751
  417    H    LYS  51           H        LYS  51  -7.711   5.275   8.987
  418    HA   LYS  51           HA       LYS  51  -8.140   6.715   6.498
  419   1HB   LYS  51          2HB       LYS  51 -10.350   6.673   7.858
  420   2HB   LYS  51          1HB       LYS  51  -9.529   7.850   8.891
  421   1HG   LYS  51          2HG       LYS  51  -9.726   8.084   5.879
  422   2HG   LYS  51          1HG       LYS  51 -10.797   8.928   7.003
  423   1HD   LYS  51          2HD       LYS  51  -8.598   9.810   8.076
  424   2HD   LYS  51          1HD       LYS  51  -7.826   9.290   6.575
  425   1HE   LYS  51          2HE       LYS  51  -8.735  10.998   5.386
  426   2HE   LYS  51          1HE       LYS  51 -10.308  10.826   6.166
  427   1HZ   LYS  51          1HZ       LYS  51  -8.077  12.447   6.940
  428   2HZ   LYS  51          2HZ       LYS  51  -8.913  11.785   8.133
  429   3HZ   LYS  51          3HZ       LYS  51  -9.644  12.742   7.080
  430    H    CYS  52           H        CYS  52  -6.247   7.443   6.375
  431    HA   CYS  52           HA       CYS  52  -5.403   9.753   7.553
  432   1HB   CYS  52          2HB       CYS  52  -4.682   7.347   9.043
  433   2HB   CYS  52          1HB       CYS  52  -3.324   8.401   8.675
  434    HG   CYS  52           HG       CYS  52  -5.754   9.877   9.845
  435    H    GLN  53           H        GLN  53  -4.191  10.423   5.840
  436    HA   GLN  53           HA       GLN  53  -2.377   8.397   4.699
  437   1HB   GLN  53          2HB       GLN  53  -4.799   9.386   3.482
  438   2HB   GLN  53          1HB       GLN  53  -3.399   9.787   2.487
  439   1HG   GLN  53          2HG       GLN  53  -3.417   7.658   1.746
  440   2HG   GLN  53          1HG       GLN  53  -2.930   7.164   3.366
  441   1HE2  GLN  53          1HE2      GLN  53  -5.541   8.083   4.566
  442   2HE2  GLN  53          2HE2      GLN  53  -6.683   6.921   4.094
  443    H    LYS  54           H        LYS  54  -0.487   9.133   4.551
  444    HA   LYS  54           HA       LYS  54   0.005  11.957   3.860
  445   1HB   LYS  54          2HB       LYS  54   0.730  12.014   6.062
  446   2HB   LYS  54          1HB       LYS  54   0.952  10.264   6.134
  447   1HG   LYS  54          2HG       LYS  54   3.121  10.382   5.442
  448   2HG   LYS  54          1HG       LYS  54   2.804  11.708   4.321
  449   1HD   LYS  54          2HD       LYS  54   3.768  13.079   5.831
  450   2HD   LYS  54          1HD       LYS  54   2.352  12.815   6.850
  451   1HE   LYS  54          2HE       LYS  54   3.684  10.585   7.476
  452   2HE   LYS  54          1HE       LYS  54   5.066  11.579   7.016
  453   1HZ   LYS  54          1HZ       LYS  54   3.475  11.750   9.313
  454   2HZ   LYS  54          2HZ       LYS  54   3.516  13.160   8.559
  455   3HZ   LYS  54          3HZ       LYS  54   4.880  12.455   9.009
  456    H    ILE  55           H        ILE  55   0.869  11.783   1.790
  457    HA   ILE  55           HA       ILE  55   2.622   9.443   1.332
  458    HB   ILE  55           HB       ILE  55   0.716  10.934  -0.464
  459   1HG1  ILE  55          2HG1      ILE  55  -0.140   8.736  -0.910
  460   2HG1  ILE  55          1HG1      ILE  55   1.261   7.970  -0.163
  461   1HG2  ILE  55          1HG2      ILE  55   2.572  10.937  -1.895
  462   2HG2  ILE  55          2HG2      ILE  55   1.813   9.393  -2.282
  463   3HG2  ILE  55          3HG2      ILE  55   3.218   9.442  -1.218
  464   1HD1  ILE  55          1HD1      ILE  55  -0.982   8.186   1.194
  465   2HD1  ILE  55          2HD1      ILE  55  -0.434   9.840   1.464
  466   3HD1  ILE  55          3HD1      ILE  55   0.558   8.483   1.999
  467    H    SER  56           H        SER  56   4.634  10.258   1.740
  468    HA   SER  56           HA       SER  56   5.354  12.689   0.226
  469   1HB   SER  56          2HB       SER  56   7.158  12.092   2.408
  470   2HB   SER  56          1HB       SER  56   6.259  13.570   2.075
  471    HG   SER  56           HG       SER  56   5.803  11.795   3.958
  472    HA   PRO  57           HA       PRO  57   8.741  10.284  -1.047
  473   1HB   PRO  57          2HB       PRO  57   7.705   8.322  -2.784
  474   2HB   PRO  57          1HB       PRO  57   8.142   8.151  -1.083
  475   1HG   PRO  57          2HG       PRO  57   5.544   8.023  -2.162
  476   2HG   PRO  57          1HG       PRO  57   5.973   8.005  -0.473
  477   1HD   PRO  57          2HD       PRO  57   4.922  10.247  -2.076
  478   2HD   PRO  57          1HD       PRO  57   4.918   9.999  -0.337
  479    H    GLU  58           H        GLU  58   7.195  12.400  -2.704
  480    HA   GLU  58           HA       GLU  58   7.872  11.740  -5.435
  481   1HB   GLU  58          2HB       GLU  58   6.779  13.712  -5.980
  482   2HB   GLU  58          1HB       GLU  58   6.039  13.373  -4.419
  483   1HG   GLU  58          2HG       GLU  58   6.650  15.620  -4.191
  484   2HG   GLU  58          1HG       GLU  58   8.016  14.784  -3.451
  485    H    GLY  59           H        GLY  59   9.346  13.372  -2.737
  486   1HA   GLY  59          2HA       GLY  59  11.849  13.540  -4.229
  487   2HA   GLY  59          1HA       GLY  59  11.249  15.035  -3.490
  488    H    LYS  60           H        LYS  60  11.034  11.676  -2.335
  489    HA   LYS  60           HA       LYS  60  12.345  12.640   0.133
  490   1HB   LYS  60          2HB       LYS  60  10.258  10.450  -0.164
  491   2HB   LYS  60          1HB       LYS  60  10.965  11.024   1.354
  492   1HG   LYS  60          2HG       LYS  60   9.067  12.474  -0.476
  493   2HG   LYS  60          1HG       LYS  60   8.982  12.258   1.269
  494   1HD   LYS  60          2HD       LYS  60  11.275  13.656   1.142
  495   2HD   LYS  60          1HD       LYS  60  10.477  14.286  -0.300
  496   1HE   LYS  60          2HE       LYS  60   9.417  15.687   1.130
  497   2HE   LYS  60          1HE       LYS  60   8.434  14.283   1.546
  498   1HZ   LYS  60          1HZ       LYS  60  10.913  14.398   2.907
  499   2HZ   LYS  60          2HZ       LYS  60   9.448  14.126   3.491
  500   3HZ   LYS  60          3HZ       LYS  60   9.951  15.628   3.263
  501    H    ALA  61           H        ALA  61  12.719  10.388   1.447
  502    HA   ALA  61           HA       ALA  61  15.173   9.432   0.877
  503   1HB   ALA  61          1HB       ALA  61  13.133   8.647   2.595
  504   2HB   ALA  61          2HB       ALA  61  14.758   7.965   2.541
  505   3HB   ALA  61          3HB       ALA  61  13.450   7.200   1.639
  506    H    LYS  62           H        LYS  62  12.394   7.342  -0.009
  507    HA   LYS  62           HA       LYS  62  13.094   7.248  -2.731
  508   1HB   LYS  62          2HB       LYS  62  13.712   4.681  -2.566
  509   2HB   LYS  62          1HB       LYS  62  14.961   5.902  -2.503
  510   1HG   LYS  62          2HG       LYS  62  13.618   5.057   0.038
  511   2HG   LYS  62          1HG       LYS  62  14.818   3.981  -0.665
  512   1HD   LYS  62          2HD       LYS  62  15.955   6.555  -0.731
  513   2HD   LYS  62          1HD       LYS  62  15.189   6.403   0.854
  514   1HE   LYS  62          2HE       LYS  62  16.331   4.032   0.853
  515   2HE   LYS  62          1HE       LYS  62  17.396   4.758  -0.351
  516   1HZ   LYS  62          1HZ       LYS  62  18.202   5.056   1.888
  517   2HZ   LYS  62          2HZ       LYS  62  16.884   5.864   2.300
  518   3HZ   LYS  62          3HZ       LYS  62  17.887   6.473   1.212
  519    H    ILE  63           H        ILE  63  10.487   7.478  -1.594
  520    HA   ILE  63           HA       ILE  63   8.555   6.724  -1.933
  521    HB   ILE  63           HB       ILE  63   8.835   5.658  -3.952
  522   1HG1  ILE  63          2HG1      ILE  63   7.610   3.303  -3.311
  523   2HG1  ILE  63          1HG1      ILE  63   7.340   4.234  -1.850
  524   1HG2  ILE  63          1HG2      ILE  63  10.339   3.512  -2.477
  525   2HG2  ILE  63          2HG2      ILE  63  10.810   4.404  -3.925
  526   3HG2  ILE  63          3HG2      ILE  63   9.557   3.172  -4.017
  527   1HD1  ILE  63          1HD1      ILE  63   5.671   5.293  -2.896
  528   2HD1  ILE  63          2HD1      ILE  63   6.095   4.541  -4.433
  529   3HD1  ILE  63          3HD1      ILE  63   6.881   6.040  -3.938
  530    H    GLN  64           H        GLN  64   8.209   6.985   0.099
  531    HA   GLN  64           HA       GLN  64   7.703   4.492   1.629
  532   1HB   GLN  64          2HB       GLN  64   8.128   6.546   3.522
  533   2HB   GLN  64          1HB       GLN  64   9.153   5.143   3.235
  534   1HG   GLN  64          2HG       GLN  64  10.323   6.439   1.432
  535   2HG   GLN  64          1HG       GLN  64   9.377   7.854   1.895
  536   1HE2  GLN  64          1HE2      GLN  64  11.043   5.329   3.871
  537   2HE2  GLN  64          2HE2      GLN  64  11.948   6.437   4.784
  538    H    LEU  65           H        LEU  65   5.640   4.531   2.700
  539    HA   LEU  65           HA       LEU  65   4.200   7.082   2.429
  540   1HB   LEU  65          2HB       LEU  65   2.139   5.818   1.809
  541   2HB   LEU  65          1HB       LEU  65   3.411   5.783   0.595
  542    HG   LEU  65           HG       LEU  65   2.320   3.573   0.938
  543   1HD1  LEU  65          1HD1      LEU  65   5.020   4.148   0.675
  544   2HD1  LEU  65          2HD1      LEU  65   4.262   2.582   0.389
  545   3HD1  LEU  65          3HD1      LEU  65   4.978   2.940   1.958
  546   1HD2  LEU  65          1HD2      LEU  65   2.352   2.421   2.954
  547   2HD2  LEU  65          2HD2      LEU  65   2.139   4.078   3.515
  548   3HD2  LEU  65          3HD2      LEU  65   3.734   3.328   3.569
  549    H    GLN  66           H        GLN  66   2.140   7.116   3.810
  550    HA   GLN  66           HA       GLN  66   2.364   5.396   6.189
  551   1HB   GLN  66          2HB       GLN  66   3.515   7.834   6.264
  552   2HB   GLN  66          1HB       GLN  66   1.867   8.275   6.713
  553   1HG   GLN  66          2HG       GLN  66   2.119   6.141   8.301
  554   2HG   GLN  66          1HG       GLN  66   3.830   6.551   8.164
  555   1HE2  GLN  66          1HE2      GLN  66   3.233   6.972  10.648
  556   2HE2  GLN  66          2HE2      GLN  66   2.795   8.571  11.016
  557    H    LEU  67           H        LEU  67   0.440   4.837   6.972
  558    HA   LEU  67           HA       LEU  67  -1.990   6.364   6.244
  559   1HB   LEU  67          2HB       LEU  67  -1.810   4.678   4.541
  560   2HB   LEU  67          1HB       LEU  67  -1.380   3.443   5.719
  561    HG   LEU  67           HG       LEU  67  -3.801   4.271   6.683
  562   1HD1  LEU  67          1HD1      LEU  67  -3.604   5.038   3.850
  563   2HD1  LEU  67          2HD1      LEU  67  -4.805   5.505   5.055
  564   3HD1  LEU  67          3HD1      LEU  67  -4.975   3.977   4.186
  565   1HD2  LEU  67          1HD2      LEU  67  -3.235   1.959   6.440
  566   2HD2  LEU  67          2HD2      LEU  67  -3.023   2.120   4.699
  567   3HD2  LEU  67          3HD2      LEU  67  -4.637   2.196   5.398
  568    H    VAL  68           H        VAL  68  -3.511   6.371   7.935
  569    HA   VAL  68           HA       VAL  68  -2.811   4.616  10.202
  570    HB   VAL  68           HB       VAL  68  -4.265   7.177  10.695
  571   1HG1  VAL  68          1HG1      VAL  68  -2.905   6.914  12.833
  572   2HG1  VAL  68          2HG1      VAL  68  -2.437   5.329  12.225
  573   3HG1  VAL  68          3HG1      VAL  68  -4.135   5.683  12.559
  574   1HG2  VAL  68          1HG2      VAL  68  -1.452   7.327  11.253
  575   2HG2  VAL  68          2HG2      VAL  68  -2.444   8.447  10.319
  576   3HG2  VAL  68          3HG2      VAL  68  -1.706   7.050   9.534
  577    H    LEU  69           H        LEU  69  -4.516   4.058  11.582
  578    HA   LEU  69           HA       LEU  69  -6.873   3.322  10.041
  579   1HB   LEU  69          2HB       LEU  69  -5.968   2.572  12.834
  580   2HB   LEU  69          1HB       LEU  69  -7.173   1.726  11.890
  581    HG   LEU  69           HG       LEU  69  -4.397   1.202  12.004
  582   1HD1  LEU  69          1HD1      LEU  69  -5.152  -0.192   9.820
  583   2HD1  LEU  69          2HD1      LEU  69  -6.722   0.149  10.564
  584   3HD1  LEU  69          3HD1      LEU  69  -5.474  -0.698  11.481
  585   1HD2  LEU  69          1HD2      LEU  69  -3.942   1.248   9.458
  586   2HD2  LEU  69          2HD2      LEU  69  -3.666   2.714  10.389
  587   3HD2  LEU  69          3HD2      LEU  69  -5.136   2.543   9.426
  588    H    HIS  70           H        HIS  70  -9.008   3.988  10.703
  589    HA   HIS  70           HA       HIS  70  -9.387   6.472  11.872
  590   1HB   HIS  70          2HB       HIS  70 -11.655   5.453  12.653
  591   2HB   HIS  70          1HB       HIS  70 -11.325   5.490  10.921
  592    HD1  HIS  70           HD1      HIS  70 -10.830   3.080  13.845
  593    HD2  HIS  70           HD2      HIS  70 -11.570   3.009   9.743
  594    HE1  HIS  70           HE1      HIS  70 -11.145   0.647  13.216
  595    H    ALA  71           H        ALA  71  -8.785   3.377  13.224
  596    HA   ALA  71           HA       ALA  71  -9.197   4.087  15.983
  597   1HB   ALA  71          1HB       ALA  71  -9.136   1.710  14.963
  598   2HB   ALA  71          2HB       ALA  71  -8.286   1.950  16.490
  599   3HB   ALA  71          3HB       ALA  71  -7.381   1.888  14.977
  600    H    GLY  72           H        GLY  72  -6.543   3.009  16.815
  601   1HA   GLY  72          2HA       GLY  72  -4.970   5.439  16.208
  602   2HA   GLY  72          1HA       GLY  72  -4.922   4.586  17.751
  603    H    ASP  73           H        ASP  73  -4.718   3.501  14.410
  604    HA   ASP  73           HA       ASP  73  -2.083   2.335  15.102
  605   1HB   ASP  73          2HB       ASP  73  -3.177   0.651  13.145
  606   2HB   ASP  73          1HB       ASP  73  -2.927   0.277  14.838
  607    H    THR  74           H        THR  74  -0.530   2.642  13.655
  608    HA   THR  74           HA       THR  74  -1.301   4.063  11.188
  609    HB   THR  74           HB       THR  74   1.535   4.023  12.039
  610    HG1  THR  74           HG1      THR  74  -0.499   5.429  13.428
  611   1HG2  THR  74          1HG2      THR  74  -0.426   5.849  10.725
  612   2HG2  THR  74          2HG2      THR  74   1.221   5.436  10.245
  613   3HG2  THR  74          3HG2      THR  74   0.945   6.580  11.559
  614    H    THR  75           H        THR  75  -0.187   3.504   9.238
  615    HA   THR  75           HA       THR  75   0.998   0.807   9.295
  616    HB   THR  75           HB       THR  75  -0.471   1.875   6.900
  617    HG1  THR  75           HG1      THR  75  -1.597   0.715   9.221
  618   1HG2  THR  75          1HG2      THR  75  -0.083  -0.901   8.055
  619   2HG2  THR  75          2HG2      THR  75   0.874  -0.195   6.752
  620   3HG2  THR  75          3HG2      THR  75  -0.842  -0.523   6.508
  621    H    ASN  76           H        ASN  76   3.182   1.225   8.846
  622    HA   ASN  76           HA       ASN  76   3.715   3.481   7.017
  623   1HB   ASN  76          2HB       ASN  76   5.584   2.101   8.962
  624   2HB   ASN  76          1HB       ASN  76   5.935   3.546   8.015
  625   1HD2  ASN  76          1HD2      ASN  76   5.717   5.425   9.234
  626   2HD2  ASN  76          2HD2      ASN  76   4.612   5.645  10.503
  627    H    PHE  77           H        PHE  77   4.756   3.023   5.095
  628    HA   PHE  77           HA       PHE  77   5.936   0.346   4.888
  629   1HB   PHE  77          2HB       PHE  77   3.431   1.111   3.714
  630   2HB   PHE  77          1HB       PHE  77   4.600   0.776   2.439
  631    HD1  PHE  77           HD1      PHE  77   6.304  -1.225   3.382
  632    HD2  PHE  77           HD2      PHE  77   2.104  -0.824   4.188
  633    HE1  PHE  77           HE1      PHE  77   6.168  -3.636   3.801
  634    HE2  PHE  77           HE2      PHE  77   1.959  -3.252   4.592
  635    HZ   PHE  77           HZ       PHE  77   4.028  -4.642   4.397
  636    H    HIS  78           H        HIS  78   7.433   0.133   3.277
  637    HA   HIS  78           HA       HIS  78   8.246   2.566   1.828
  638   1HB   HIS  78          2HB       HIS  78   9.523   2.632   3.945
  639   2HB   HIS  78          1HB       HIS  78  10.160   1.022   3.619
  640    HD1  HIS  78           HD1      HIS  78  12.012   0.790   1.906
  641    HD2  HIS  78           HD2      HIS  78  10.576   4.704   2.111
  642    HE1  HIS  78           HE1      HIS  78  13.550   2.207   0.496
  643    H    PHE  79           H        PHE  79   9.522   2.196   0.116
  644    HA   PHE  79           HA       PHE  79   9.432  -0.597  -0.859
  645   1HB   PHE  79          2HB       PHE  79   9.375   2.069  -2.182
  646   2HB   PHE  79          1HB       PHE  79   9.727   0.619  -3.092
  647    HD1  PHE  79           HD1      PHE  79   7.232   2.538  -1.244
  648    HD2  PHE  79           HD2      PHE  79   7.953  -1.162  -3.302
  649    HE1  PHE  79           HE1      PHE  79   4.788   2.128  -1.324
  650    HE2  PHE  79           HE2      PHE  79   5.516  -1.576  -3.389
  651    HZ   PHE  79           HZ       PHE  79   3.938   0.038  -2.411
  652    H    SER  80           H        SER  80  11.137  -1.442  -1.937
  653    HA   SER  80           HA       SER  80  13.576  -0.133  -2.493
  654   1HB   SER  80          2HB       SER  80  13.375  -0.151   0.123
  655   2HB   SER  80          1HB       SER  80  14.052  -1.772  -0.066
  656    HG   SER  80           HG       SER  80  15.827  -0.913  -1.040
  657    H    ASN  81           H        ASN  81  14.144  -1.347  -4.176
  658    HA   ASN  81           HA       ASN  81  14.679  -4.193  -3.667
  659   1HB   ASN  81          2HB       ASN  81  13.416  -3.290  -6.252
  660   2HB   ASN  81          1HB       ASN  81  13.582  -4.930  -5.632
  661   1HD2  ASN  81          1HD2      ASN  81  12.725  -4.358  -2.921
  662   2HD2  ASN  81          2HD2      ASN  81  11.078  -3.977  -2.964
  663    H    GLU  82           H        GLU  82  16.137  -5.057  -5.446
  664    HA   GLU  82           HA       GLU  82  18.442  -3.587  -5.685
  665   1HB   GLU  82          2HB       GLU  82  18.960  -5.040  -7.658
  666   2HB   GLU  82          1HB       GLU  82  18.372  -5.946  -6.263
  667   1HG   GLU  82          2HG       GLU  82  16.247  -6.284  -7.222
  668   2HG   GLU  82          1HG       GLU  82  16.463  -4.973  -8.382
  669    H    SER  83           H        SER  83  15.513  -3.319  -7.598
  670    HA   SER  83           HA       SER  83  16.676  -0.922  -8.817
  671   1HB   SER  83          2HB       SER  83  15.341  -2.493 -10.858
  672   2HB   SER  83          1HB       SER  83  16.922  -1.718 -10.890
  673    HG   SER  83           HG       SER  83  16.407  -4.276 -10.682
  674    H    THR  84           H        THR  84  14.122  -1.775  -7.062
  675    HA   THR  84           HA       THR  84  12.285  -0.332  -8.865
  676    HB   THR  84           HB       THR  84  11.991  -2.798  -7.260
  677    HG1  THR  84           HG1      THR  84  10.310  -1.776  -9.269
  678   1HG2  THR  84          1HG2      THR  84   9.542  -2.380  -6.882
  679   2HG2  THR  84          2HG2      THR  84   9.840  -0.682  -7.231
  680   3HG2  THR  84          3HG2      THR  84  10.603  -1.437  -5.837
  681    H    ALA  85           H        ALA  85  14.245   0.756  -7.041
  682    HA   ALA  85           HA       ALA  85  12.575   1.826  -4.873
  683   1HB   ALA  85          1HB       ALA  85  15.141   1.049  -4.717
  684   2HB   ALA  85          2HB       ALA  85  14.511   2.373  -3.737
  685   3HB   ALA  85          3HB       ALA  85  15.401   2.719  -5.220
  686    H    VAL  86           H        VAL  86  11.706   2.609  -7.304
  687    HA   VAL  86           HA       VAL  86  12.230   5.478  -7.197
  688    HB   VAL  86           HB       VAL  86  12.478   4.278  -9.924
  689   1HG1  VAL  86          1HG1      VAL  86  14.200   6.466  -8.877
  690   2HG1  VAL  86          2HG1      VAL  86  12.477   6.817  -9.014
  691   3HG1  VAL  86          3HG1      VAL  86  13.391   6.318 -10.437
  692   1HG2  VAL  86          1HG2      VAL  86  14.031   2.953  -8.501
  693   2HG2  VAL  86          2HG2      VAL  86  14.755   4.453  -7.921
  694   3HG2  VAL  86          3HG2      VAL  86  14.902   4.002  -9.620
  695    H    LYS  87           H        LYS  87  11.124   5.610 -10.049
  696    HA   LYS  87           HA       LYS  87   8.488   6.225  -9.527
  697   1HB   LYS  87          2HB       LYS  87   9.829   5.283 -12.061
  698   2HB   LYS  87          1HB       LYS  87   8.169   5.878 -12.010
  699   1HG   LYS  87          2HG       LYS  87   9.644   7.786 -10.586
  700   2HG   LYS  87          1HG       LYS  87  10.657   7.383 -11.973
  701   1HD   LYS  87          2HD       LYS  87   9.249   9.122 -12.758
  702   2HD   LYS  87          1HD       LYS  87   8.516   7.645 -13.386
  703   1HE   LYS  87          2HE       LYS  87   7.312   7.842 -10.934
  704   2HE   LYS  87          1HE       LYS  87   7.493   9.541 -11.370
  705   1HZ   LYS  87          1HZ       LYS  87   6.626   8.434 -13.617
  706   2HZ   LYS  87          2HZ       LYS  87   5.678   9.160 -12.552
  707   3HZ   LYS  87          3HZ       LYS  87   5.828   7.567 -12.533
  708    H    GLU  88           H        GLU  88   9.917   3.150  -9.732
  709    HA   GLU  88           HA       GLU  88   7.821   1.566 -10.729
  710   1HB   GLU  88          2HB       GLU  88   9.460   0.594  -8.408
  711   2HB   GLU  88          1HB       GLU  88   9.011  -0.257  -9.861
  712   1HG   GLU  88          2HG       GLU  88  10.583   1.906 -10.709
  713   2HG   GLU  88          1HG       GLU  88  11.379   1.278  -9.278
  714    H    ARG  89           H        ARG  89   8.640   1.731  -7.287
  715    HA   ARG  89           HA       ARG  89   5.971   1.116  -6.529
  716   1HB   ARG  89          2HB       ARG  89   8.103   2.356  -4.792
  717   2HB   ARG  89          1HB       ARG  89   6.782   1.295  -4.303
  718   1HG   ARG  89          2HG       ARG  89   9.123   0.522  -6.071
  719   2HG   ARG  89          1HG       ARG  89   8.899   0.029  -4.410
  720   1HD   ARG  89          2HD       ARG  89   7.894  -1.797  -5.268
  721   2HD   ARG  89          1HD       ARG  89   6.512  -0.731  -5.538
  722    HE   ARG  89           HE       ARG  89   7.990  -0.331  -7.759
  723   1HH1  ARG  89          1HH2      ARG  89   6.948  -3.148  -6.053
  724   2HH1  ARG  89          2HH2      ARG  89   6.770  -4.102  -7.485
  725   1HH2  ARG  89          1HH1      ARG  89   7.745  -1.575  -9.631
  726   2HH2  ARG  89          2HH1      ARG  89   7.218  -3.218  -9.499
  727    H    ASP  90           H        ASP  90   7.917   3.999  -6.948
  728    HA   ASP  90           HA       ASP  90   6.399   5.964  -5.737
  729   1HB   ASP  90          2HB       ASP  90   8.344   6.026  -7.671
  730   2HB   ASP  90          1HB       ASP  90   6.937   6.618  -8.556
  731    H    ALA  91           H        ALA  91   5.712   4.425  -8.904
  732    HA   ALA  91           HA       ALA  91   3.221   5.666  -9.320
  733   1HB   ALA  91          1HB       ALA  91   4.416   3.017 -10.144
  734   2HB   ALA  91          2HB       ALA  91   4.045   4.416 -11.152
  735   3HB   ALA  91          3HB       ALA  91   2.740   3.406 -10.532
  736    H    VAL  92           H        VAL  92   4.037   2.493  -7.843
  737    HA   VAL  92           HA       VAL  92   1.565   1.669  -6.923
  738    HB   VAL  92           HB       VAL  92   4.167   1.712  -5.356
  739   1HG1  VAL  92          1HG1      VAL  92   2.674  -0.214  -4.158
  740   2HG1  VAL  92          2HG1      VAL  92   1.420   0.963  -4.545
  741   3HG1  VAL  92          3HG1      VAL  92   2.797   1.439  -3.553
  742   1HG2  VAL  92          1HG2      VAL  92   2.709  -0.284  -7.060
  743   2HG2  VAL  92          2HG2      VAL  92   3.760  -0.840  -5.752
  744   3HG2  VAL  92          3HG2      VAL  92   4.423   0.141  -7.063
  745    H    LYS  93           H        LYS  93   3.683   3.954  -5.206
  746    HA   LYS  93           HA       LYS  93   1.963   4.717  -3.174
  747   1HB   LYS  93          2HB       LYS  93   3.843   5.906  -2.775
  748   2HB   LYS  93          1HB       LYS  93   4.382   5.679  -4.432
  749   1HG   LYS  93          2HG       LYS  93   2.793   7.601  -5.049
  750   2HG   LYS  93          1HG       LYS  93   2.695   7.922  -3.317
  751   1HD   LYS  93          2HD       LYS  93   4.637   9.037  -3.434
  752   2HD   LYS  93          1HD       LYS  93   5.439   7.561  -3.965
  753   1HE   LYS  93          2HE       LYS  93   5.281   8.115  -6.213
  754   2HE   LYS  93          1HE       LYS  93   3.853   9.121  -5.972
  755   1HZ   LYS  93          1HZ       LYS  93   6.041  10.264  -6.368
  756   2HZ   LYS  93          2HZ       LYS  93   6.422   9.882  -4.861
  757   3HZ   LYS  93          3HZ       LYS  93   5.153  10.812  -5.153
  758    H    ASP  94           H        ASP  94   2.289   6.101  -6.457
  759    HA   ASP  94           HA       ASP  94   0.387   8.054  -6.529
  760   1HB   ASP  94          2HB       ASP  94   1.764   6.675  -8.435
  761   2HB   ASP  94          1HB       ASP  94   0.126   6.083  -8.719
  762    H    LEU  95           H        LEU  95  -0.308   4.673  -7.311
  763    HA   LEU  95           HA       LEU  95  -3.027   4.663  -7.335
  764   1HB   LEU  95          2HB       LEU  95  -1.779   2.534  -5.653
  765   2HB   LEU  95          1HB       LEU  95  -2.966   2.387  -6.947
  766    HG   LEU  95           HG       LEU  95   0.001   2.918  -7.249
  767   1HD1  LEU  95          1HD1      LEU  95  -1.615   0.681  -8.448
  768   2HD1  LEU  95          2HD1      LEU  95  -1.023   0.568  -6.791
  769   3HD1  LEU  95          3HD1      LEU  95   0.118   0.744  -8.124
  770   1HD2  LEU  95          1HD2      LEU  95  -0.750   2.593  -9.760
  771   2HD2  LEU  95          2HD2      LEU  95  -0.906   4.179  -9.005
  772   3HD2  LEU  95          3HD2      LEU  95  -2.317   3.132  -9.159
  773    H    LEU  96           H        LEU  96  -1.083   4.177  -4.333
  774    HA   LEU  96           HA       LEU  96  -2.994   4.080  -2.427
  775   1HB   LEU  96          2HB       LEU  96  -0.626   5.970  -2.274
  776   2HB   LEU  96          1HB       LEU  96  -1.465   5.222  -0.920
  777    HG   LEU  96           HG       LEU  96   0.310   3.913  -2.978
  778   1HD1  LEU  96          1HD1      LEU  96   1.398   3.018  -0.953
  779   2HD1  LEU  96          2HD1      LEU  96   0.195   3.826   0.053
  780   3HD1  LEU  96          3HD1      LEU  96   1.330   4.780  -0.902
  781   1HD2  LEU  96          1HD2      LEU  96  -0.425   1.734  -2.129
  782   2HD2  LEU  96          2HD2      LEU  96  -1.800   2.609  -2.805
  783   3HD2  LEU  96          3HD2      LEU  96  -1.583   2.522  -1.057
  784    H    GLN  97           H        GLN  97  -1.646   7.271  -3.309
  785    HA   GLN  97           HA       GLN  97  -3.923   8.621  -2.185
  786   1HB   GLN  97          2HB       GLN  97  -3.069  10.629  -3.123
  787   2HB   GLN  97          1HB       GLN  97  -1.704   9.725  -2.483
  788   1HG   GLN  97          2HG       GLN  97  -2.236   9.009  -5.241
  789   2HG   GLN  97          1HG       GLN  97  -1.999  10.752  -5.083
  790   1HE2  GLN  97          1HE2      GLN  97  -0.489   7.621  -4.615
  791   2HE2  GLN  97          2HE2      GLN  97   1.081   8.196  -4.378
  792    H    GLN  98           H        GLN  98  -3.769   6.803  -4.870
  793    HA   GLN  98           HA       GLN  98  -5.518   8.424  -6.536
  794   1HB   GLN  98          2HB       GLN  98  -3.588   6.771  -7.273
  795   2HB   GLN  98          1HB       GLN  98  -4.852   5.554  -7.086
  796   1HG   GLN  98          2HG       GLN  98  -6.014   7.751  -8.467
  797   2HG   GLN  98          1HG       GLN  98  -4.471   7.403  -9.249
  798   1HE2  GLN  98          1HE2      GLN  98  -4.140   5.149 -10.052
  799   2HE2  GLN  98          2HE2      GLN  98  -5.484   4.177 -10.410
  800    H    LEU  99           H        LEU  99  -5.597   5.551  -4.439
  801    HA   LEU  99           HA       LEU  99  -8.439   5.121  -5.020
  802   1HB   LEU  99          2HB       LEU  99  -7.302   3.752  -2.679
  803   2HB   LEU  99          1HB       LEU  99  -8.167   3.067  -4.036
  804    HG   LEU  99           HG       LEU  99  -5.793   3.799  -5.202
  805   1HD1  LEU  99          1HD1      LEU  99  -5.482   3.443  -2.287
  806   2HD1  LEU  99          2HD1      LEU  99  -4.482   4.309  -3.427
  807   3HD1  LEU  99          3HD1      LEU  99  -4.317   2.567  -3.282
  808   1HD2  LEU  99          1HD2      LEU  99  -7.133   1.370  -4.333
  809   2HD2  LEU  99          2HD2      LEU  99  -5.381   1.201  -4.210
  810   3HD2  LEU  99          3HD2      LEU  99  -6.121   1.630  -5.754
  811    H    LEU 100           H        LEU 100  -6.384   6.653  -2.691
  812    HA   LEU 100           HA       LEU 100  -7.758   6.705  -0.401
  813   1HB   LEU 100          2HB       LEU 100  -5.802   8.354  -1.591
  814   2HB   LEU 100          1HB       LEU 100  -7.067   9.442  -1.024
  815    HG   LEU 100           HG       LEU 100  -5.580   7.374   0.611
  816   1HD1  LEU 100          1HD1      LEU 100  -4.205   9.140   0.929
  817   2HD1  LEU 100          2HD1      LEU 100  -5.522   9.878   1.840
  818   3HD1  LEU 100          3HD1      LEU 100  -5.323  10.241   0.126
  819   1HD2  LEU 100          1HD2      LEU 100  -8.239   8.100   0.927
  820   2HD2  LEU 100          2HD2      LEU 100  -7.397   9.212   2.004
  821   3HD2  LEU 100          3HD2      LEU 100  -7.197   7.472   2.202
  822    HA   PRO 101           HA       PRO 101 -10.723   9.947  -2.379
  823   1HB   PRO 101          2HB       PRO 101 -10.440   9.148  -5.217
  824   2HB   PRO 101          1HB       PRO 101 -10.571  10.773  -4.528
  825   1HG   PRO 101          2HG       PRO 101  -8.245   9.685  -5.502
  826   2HG   PRO 101          1HG       PRO 101  -8.290  10.947  -4.258
  827   1HD   PRO 101          2HD       PRO 101  -7.561   8.129  -3.991
  828   2HD   PRO 101          1HD       PRO 101  -7.313   9.466  -2.854
  829    H    LYS 102           H        LYS 102 -10.483   6.660  -2.660
  830    HA   LYS 102           HA       LYS 102 -13.099   6.253  -3.917
  831   1HB   LYS 102          2HB       LYS 102 -11.424   4.778  -4.717
  832   2HB   LYS 102          1HB       LYS 102 -10.824   4.465  -3.089
  833   1HG   LYS 102          2HG       LYS 102 -12.405   2.902  -2.650
  834   2HG   LYS 102          1HG       LYS 102 -13.664   3.774  -3.532
  835   1HD   LYS 102          2HD       LYS 102 -12.253   3.108  -5.646
  836   2HD   LYS 102          1HD       LYS 102 -11.589   1.870  -4.580
  837   1HE   LYS 102          2HE       LYS 102 -14.359   1.796  -4.134
  838   2HE   LYS 102          1HE       LYS 102 -14.183   1.963  -5.881
  839   1HZ   LYS 102          1HZ       LYS 102 -13.906  -0.236  -5.682
  840   2HZ   LYS 102          2HZ       LYS 102 -13.355  -0.189  -4.181
  841   3HZ   LYS 102          3HZ       LYS 102 -12.380   0.159  -5.401
  842    H    PHE 103           H        PHE 103 -11.487   5.529  -0.805
  843    HA   PHE 103           HA       PHE 103 -13.747   4.163   0.202
  844   1HB   PHE 103          2HB       PHE 103 -12.192   5.320   2.365
  845   2HB   PHE 103          1HB       PHE 103 -12.427   3.634   1.933
  846    HD1  PHE 103           HD1      PHE 103 -11.286   3.243  -0.610
  847    HD2  PHE 103           HD2      PHE 103  -9.929   5.837   2.536
  848    HE1  PHE 103           HE1      PHE 103  -9.009   3.167  -1.544
  849    HE2  PHE 103           HE2      PHE 103  -7.628   5.748   1.612
  850    HZ   PHE 103           HZ       PHE 103  -7.166   4.415  -0.432
  851    H    LYS 104           H        LYS 104 -13.380   7.393  -0.437
  852    HA   LYS 104           HA       LYS 104 -15.078   8.305   1.769
  853   1HB   LYS 104          2HB       LYS 104 -13.787   9.567  -0.648
  854   2HB   LYS 104          1HB       LYS 104 -15.160  10.368   0.117
  855   1HG   LYS 104          2HG       LYS 104 -12.995  11.166   1.037
  856   2HG   LYS 104          1HG       LYS 104 -13.986  10.384   2.269
  857   1HD   LYS 104          2HD       LYS 104 -12.649   8.465   2.317
  858   2HD   LYS 104          1HD       LYS 104 -11.997   8.761   0.705
  859   1HE   LYS 104          2HE       LYS 104 -10.188   9.593   1.791
  860   2HE   LYS 104          1HE       LYS 104 -11.195  11.013   2.076
  861   1HZ   LYS 104          1HZ       LYS 104 -11.032  10.538   4.198
  862   2HZ   LYS 104          2HZ       LYS 104 -10.256   9.165   3.929
  863   3HZ   LYS 104          3HZ       LYS 104 -11.856   9.183   3.978
  864    H    ARG 105           H        ARG 105 -17.143   9.721   0.370
  865    HA   ARG 105           HA       ARG 105 -18.373   7.432  -0.996
  866   1HB   ARG 105          2HB       ARG 105 -19.309   9.557   0.770
  867   2HB   ARG 105          1HB       ARG 105 -20.270   9.456  -0.706
  868   1HG   ARG 105          2HG       ARG 105 -19.619   7.123   1.118
  869   2HG   ARG 105          1HG       ARG 105 -21.166   7.969   1.063
  870   1HD   ARG 105          2HD       ARG 105 -20.708   7.362  -1.591
  871   2HD   ARG 105          1HD       ARG 105 -20.076   5.941  -0.764
  872    HE   ARG 105           HE       ARG 105 -22.785   6.521  -1.177
  873   1HH1  ARG 105          1HH2      ARG 105 -20.657   5.619   1.403
  874   2HH1  ARG 105          2HH2      ARG 105 -21.941   5.098   2.436
  875   1HH2  ARG 105          1HH1      ARG 105 -24.444   5.818   0.158
  876   2HH2  ARG 105          2HH1      ARG 105 -24.075   5.198   1.733
  877    H    LYS 106           H        LYS 106 -20.259   8.943  -2.494
  878    HA   LYS 106           HA       LYS 106 -18.528  10.565  -4.252
  879   1HB   LYS 106          2HB       LYS 106 -20.387   8.318  -5.078
  880   2HB   LYS 106          1HB       LYS 106 -19.676   9.475  -6.205
  881   1HG   LYS 106          2HG       LYS 106 -17.474   8.715  -5.776
  882   2HG   LYS 106          1HG       LYS 106 -17.963   7.872  -4.306
  883   1HD   LYS 106          2HD       LYS 106 -19.455   6.433  -5.835
  884   2HD   LYS 106          1HD       LYS 106 -18.518   7.100  -7.172
  885   1HE   LYS 106          2HE       LYS 106 -16.666   6.296  -5.167
  886   2HE   LYS 106          1HE       LYS 106 -17.804   4.968  -5.392
  887   1HZ   LYS 106          1HZ       LYS 106 -17.337   5.622  -7.865
  888   2HZ   LYS 106          2HZ       LYS 106 -16.427   4.559  -7.088
  889   3HZ   LYS 106          3HZ       LYS 106 -15.928   6.071  -7.250
  890    H    ALA 107           H        ALA 107 -20.786  11.007  -2.219
  891    HA   ALA 107           HA       ALA 107 -22.767  12.226  -4.031
  892   1HB   ALA 107          1HB       ALA 107 -22.795  11.517  -1.093
  893   2HB   ALA 107          2HB       ALA 107 -23.833  10.889  -2.373
  894   3HB   ALA 107          3HB       ALA 107 -24.024  12.552  -1.820
  895    H    ASN 108           H        ASN 108 -20.643  12.984  -1.268
  896    HA   ASN 108           HA       ASN 108 -20.755  15.803  -2.149
  897   1HB   ASN 108          2HB       ASN 108 -22.003  14.945   0.120
  898   2HB   ASN 108          1HB       ASN 108 -20.399  15.329   0.747
  899   1HD2  ASN 108          1HD2      ASN 108 -23.318  16.742   0.484
  900   2HD2  ASN 108          2HD2      ASN 108 -22.867  18.353   0.196
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 -16.720 -13.701 -14.291
    2   2H    MET   1          2H        MET   1 -16.917 -13.475 -12.719
    3   3H    MET   1          3H        MET   1 -16.975 -12.227 -13.720
    4    HA   MET   1           HA       MET   1 -19.177 -12.473 -13.460
    5   1HB   MET   1          2HB       MET   1 -18.089 -13.557 -15.828
    6   2HB   MET   1          1HB       MET   1 -19.354 -14.678 -15.322
    7   1HG   MET   1          2HG       MET   1 -19.758 -11.681 -15.484
    8   2HG   MET   1          1HG       MET   1 -20.158 -12.787 -16.799
    9   1HE   MET   1          1HE       MET   1 -21.422 -10.741 -14.401
   10   2HE   MET   1          2HE       MET   1 -23.052 -11.331 -14.089
   11   3HE   MET   1          3HE       MET   1 -22.543 -11.007 -15.744
   12    H    ALA   2           H        ALA   2 -18.043 -15.843 -13.946
   13    HA   ALA   2           HA       ALA   2 -20.129 -16.906 -12.317
   14   1HB   ALA   2          1HB       ALA   2 -18.701 -18.994 -12.399
   15   2HB   ALA   2          2HB       ALA   2 -17.509 -18.061 -13.303
   16   3HB   ALA   2          3HB       ALA   2 -19.116 -18.327 -13.978
   17    H    THR   3           H        THR   3 -16.620 -17.183 -11.678
   18    HA   THR   3           HA       THR   3 -17.213 -17.147  -8.817
   19    HB   THR   3           HB       THR   3 -15.613 -18.757  -9.998
   20    HG1  THR   3           HG1      THR   3 -14.543 -17.213  -7.881
   21   1HG2  THR   3          1HG2      THR   3 -14.457 -17.104 -11.388
   22   2HG2  THR   3          2HG2      THR   3 -13.311 -17.905 -10.313
   23   3HG2  THR   3          3HG2      THR   3 -13.878 -16.277  -9.942
   24    H    SER   4           H        SER   4 -17.438 -14.722 -10.547
   25    HA   SER   4           HA       SER   4 -15.380 -12.917 -10.343
   26   1HB   SER   4          2HB       SER   4 -17.173 -11.896 -11.334
   27   2HB   SER   4          1HB       SER   4 -18.340 -12.727 -10.310
   28    HG   SER   4           HG       SER   4 -18.257 -10.537  -9.773
   29    H    SER   5           H        SER   5 -14.107 -13.111  -8.478
   30    HA   SER   5           HA       SER   5 -15.454 -12.819  -5.884
   31   1HB   SER   5          2HB       SER   5 -12.499 -13.212  -6.347
   32   2HB   SER   5          1HB       SER   5 -13.438 -13.593  -4.908
   33    HG   SER   5           HG       SER   5 -14.486 -15.213  -6.105
   34    H    GLU   6           H        GLU   6 -12.889 -11.646  -4.805
   35    HA   GLU   6           HA       GLU   6 -13.655  -8.919  -5.004
   36   1HB   GLU   6          2HB       GLU   6 -10.956  -9.944  -4.117
   37   2HB   GLU   6          1HB       GLU   6 -11.771  -8.463  -3.614
   38   1HG   GLU   6          2HG       GLU   6 -12.716  -9.590  -1.915
   39   2HG   GLU   6          1HG       GLU   6 -13.563 -10.592  -3.092
   40    H    GLU   7           H        GLU   7 -12.188  -7.194  -5.792
   41    HA   GLU   7           HA       GLU   7 -10.723  -8.075  -8.216
   42   1HB   GLU   7          2HB       GLU   7 -12.150  -5.427  -7.865
   43   2HB   GLU   7          1HB       GLU   7 -11.453  -6.083  -9.346
   44   1HG   GLU   7          2HG       GLU   7 -13.170  -8.093  -8.592
   45   2HG   GLU   7          1HG       GLU   7 -14.053  -6.651  -8.090
   46    H    VAL   8           H        VAL   8  -8.495  -7.801  -7.689
   47    HA   VAL   8           HA       VAL   8  -7.872  -5.615  -5.870
   48    HB   VAL   8           HB       VAL   8  -6.064  -6.879  -5.231
   49   1HG1  VAL   8          1HG1      VAL   8  -8.228  -8.376  -5.441
   50   2HG1  VAL   8          2HG1      VAL   8  -6.679  -9.117  -5.034
   51   3HG1  VAL   8          3HG1      VAL   8  -7.289  -9.200  -6.686
   52   1HG2  VAL   8          1HG2      VAL   8  -5.860  -7.606  -8.153
   53   2HG2  VAL   8          2HG2      VAL   8  -4.950  -8.508  -6.941
   54   3HG2  VAL   8          3HG2      VAL   8  -4.680  -6.776  -7.138
   55    H    LEU   9           H        LEU   9  -6.162  -4.143  -6.407
   56    HA   LEU   9           HA       LEU   9  -6.211  -3.539  -9.277
   57   1HB   LEU   9          2HB       LEU   9  -6.887  -1.722  -7.901
   58   2HB   LEU   9          1HB       LEU   9  -5.494  -1.917  -6.837
   59    HG   LEU   9           HG       LEU   9  -3.978  -1.239  -8.608
   60   1HD1  LEU   9          1HD1      LEU   9  -4.752  -0.677 -10.836
   61   2HD1  LEU   9          2HD1      LEU   9  -6.432  -0.931 -10.362
   62   3HD1  LEU   9          3HD1      LEU   9  -5.324  -2.300 -10.451
   63   1HD2  LEU   9          1HD2      LEU   9  -5.401   0.477  -7.264
   64   2HD2  LEU   9          2HD2      LEU   9  -6.273   0.712  -8.779
   65   3HD2  LEU   9          3HD2      LEU   9  -4.544   1.051  -8.695
   66    H    LEU  10           H        LEU  10  -3.682  -4.356  -6.784
   67    HA   LEU  10           HA       LEU  10  -1.927  -5.033  -8.905
   68   1HB   LEU  10          2HB       LEU  10  -1.809  -2.667  -9.364
   69   2HB   LEU  10          1HB       LEU  10  -1.499  -2.307  -7.666
   70    HG   LEU  10           HG       LEU  10   0.354  -4.242  -8.943
   71   1HD1  LEU  10          1HD1      LEU  10  -0.209  -2.179 -10.538
   72   2HD1  LEU  10          2HD1      LEU  10   1.443  -2.768 -10.350
   73   3HD1  LEU  10          3HD1      LEU  10   0.904  -1.349  -9.452
   74   1HD2  LEU  10          1HD2      LEU  10   1.813  -2.289  -7.686
   75   2HD2  LEU  10          2HD2      LEU  10   1.192  -3.732  -6.885
   76   3HD2  LEU  10          3HD2      LEU  10   0.295  -2.217  -6.792
   77    H    ILE  11           H        ILE  11   0.055  -5.901  -8.144
   78    HA   ILE  11           HA       ILE  11   0.370  -5.882  -5.213
   79    HB   ILE  11           HB       ILE  11  -0.537  -8.013  -5.538
   80   1HG1  ILE  11          2HG1      ILE  11   1.921  -7.976  -4.639
   81   2HG1  ILE  11          1HG1      ILE  11   1.216  -9.517  -5.087
   82   1HG2  ILE  11          1HG2      ILE  11   0.080  -9.435  -7.520
   83   2HG2  ILE  11          2HG2      ILE  11   0.976  -8.056  -8.160
   84   3HG2  ILE  11          3HG2      ILE  11  -0.771  -7.948  -7.939
   85   1HD1  ILE  11          1HD1      ILE  11   3.604  -8.416  -6.072
   86   2HD1  ILE  11          2HD1      ILE  11   2.448  -8.282  -7.395
   87   3HD1  ILE  11          3HD1      ILE  11   2.775  -9.853  -6.670
   88    H    VAL  12           H        VAL  12   2.463  -5.628  -4.571
   89    HA   VAL  12           HA       VAL  12   4.550  -5.808  -6.657
   90    HB   VAL  12           HB       VAL  12   5.657  -3.921  -5.221
   91   1HG1  VAL  12          1HG1      VAL  12   4.264  -2.199  -6.546
   92   2HG1  VAL  12          2HG1      VAL  12   3.368  -3.588  -7.162
   93   3HG1  VAL  12          3HG1      VAL  12   5.098  -3.446  -7.475
   94   1HG2  VAL  12          1HG2      VAL  12   3.742  -2.369  -4.415
   95   2HG2  VAL  12          2HG2      VAL  12   4.195  -3.721  -3.381
   96   3HG2  VAL  12          3HG2      VAL  12   2.756  -3.826  -4.395
   97    H    LYS  13           H        LYS  13   6.064  -7.275  -6.044
   98    HA   LYS  13           HA       LYS  13   5.883  -8.534  -3.496
   99   1HB   LYS  13          2HB       LYS  13   7.486  -8.813  -5.902
  100   2HB   LYS  13          1HB       LYS  13   8.459  -9.034  -4.447
  101   1HG   LYS  13          2HG       LYS  13   6.194 -10.446  -3.813
  102   2HG   LYS  13          1HG       LYS  13   6.319 -10.732  -5.548
  103   1HD   LYS  13          2HD       LYS  13   8.944 -10.973  -4.571
  104   2HD   LYS  13          1HD       LYS  13   7.932 -11.824  -3.403
  105   1HE   LYS  13          2HE       LYS  13   7.836 -12.257  -6.402
  106   2HE   LYS  13          1HE       LYS  13   8.682 -13.304  -5.263
  107   1HZ   LYS  13          1HZ       LYS  13   6.461 -14.075  -5.765
  108   2HZ   LYS  13          2HZ       LYS  13   5.824 -12.731  -5.175
  109   3HZ   LYS  13          3HZ       LYS  13   6.609 -13.735  -4.207
  110    H    LYS  14           H        LYS  14   8.941  -7.186  -4.545
  111    HA   LYS  14           HA       LYS  14   9.897  -6.680  -2.094
  112   1HB   LYS  14          2HB       LYS  14  10.476  -5.672  -4.770
  113   2HB   LYS  14          1HB       LYS  14  10.846  -4.486  -3.517
  114   1HG   LYS  14          2HG       LYS  14  12.728  -6.111  -4.073
  115   2HG   LYS  14          1HG       LYS  14  12.291  -6.005  -2.366
  116   1HD   LYS  14          2HD       LYS  14  11.160  -8.067  -2.397
  117   2HD   LYS  14          1HD       LYS  14  10.999  -8.057  -4.154
  118   1HE   LYS  14          2HE       LYS  14  13.662  -8.033  -4.035
  119   2HE   LYS  14          1HE       LYS  14  13.358  -8.785  -2.470
  120   1HZ   LYS  14          1HZ       LYS  14  12.048 -10.423  -3.594
  121   2HZ   LYS  14          2HZ       LYS  14  13.519 -10.401  -4.224
  122   3HZ   LYS  14          3HZ       LYS  14  12.300  -9.733  -5.017
  123    H    VAL  15           H        VAL  15   9.203  -5.613  -0.461
  124    HA   VAL  15           HA       VAL  15   8.472  -2.829  -0.816
  125    HB   VAL  15           HB       VAL  15   6.418  -4.706   0.347
  126   1HG1  VAL  15          1HG1      VAL  15   6.446  -1.686   0.474
  127   2HG1  VAL  15          2HG1      VAL  15   6.857  -2.717   1.844
  128   3HG1  VAL  15          3HG1      VAL  15   5.235  -2.770   1.153
  129   1HG2  VAL  15          1HG2      VAL  15   5.738  -4.449  -1.802
  130   2HG2  VAL  15          2HG2      VAL  15   6.802  -3.075  -2.050
  131   3HG2  VAL  15          3HG2      VAL  15   5.243  -2.839  -1.279
  132    H    ARG  16           H        ARG  16   8.870  -1.600   0.951
  133    HA   ARG  16           HA       ARG  16  10.225  -2.981   3.182
  134   1HB   ARG  16          2HB       ARG  16  11.946  -1.906   1.963
  135   2HB   ARG  16          1HB       ARG  16  10.922  -0.554   1.542
  136   1HG   ARG  16          2HG       ARG  16  11.463   0.578   3.411
  137   2HG   ARG  16          1HG       ARG  16  11.194  -0.829   4.431
  138   1HD   ARG  16          2HD       ARG  16  13.711   0.076   3.063
  139   2HD   ARG  16          1HD       ARG  16  13.484  -0.464   4.725
  140    HE   ARG  16           HE       ARG  16  12.947  -2.702   3.265
  141   1HH1  ARG  16          1HH2      ARG  16  15.493  -0.365   3.417
  142   2HH1  ARG  16          2HH2      ARG  16  16.719  -1.479   2.916
  143   1HH2  ARG  16          1HH1      ARG  16  14.550  -4.158   2.596
  144   2HH2  ARG  16          2HH1      ARG  16  16.189  -3.618   2.457
  145    H    GLN  17           H        GLN  17   9.579  -2.346   5.152
  146    HA   GLN  17           HA       GLN  17   8.130   0.173   5.386
  147   1HB   GLN  17          2HB       GLN  17   6.181  -0.766   6.328
  148   2HB   GLN  17          1HB       GLN  17   6.518  -1.822   4.967
  149   1HG   GLN  17          2HG       GLN  17   7.457  -3.490   6.393
  150   2HG   GLN  17          1HG       GLN  17   7.465  -2.393   7.770
  151   1HE2  GLN  17          1HE2      GLN  17   5.479  -4.580   5.899
  152   2HE2  GLN  17          2HE2      GLN  17   4.068  -4.404   6.827
  153    H    LYS  18           H        LYS  18   8.793   1.146   7.218
  154    HA   LYS  18           HA       LYS  18  11.041   0.674   8.509
  155   1HB   LYS  18          2HB       LYS  18   8.496   1.839   9.518
  156   2HB   LYS  18          1HB       LYS  18   9.753   1.506  10.710
  157   1HG   LYS  18          2HG       LYS  18  11.170   2.667   8.635
  158   2HG   LYS  18          1HG       LYS  18   9.657   3.573   8.633
  159   1HD   LYS  18          2HD       LYS  18  11.136   4.700  10.156
  160   2HD   LYS  18          1HD       LYS  18   9.941   3.852  11.138
  161   1HE   LYS  18          2HE       LYS  18  11.679   1.901  11.123
  162   2HE   LYS  18          1HE       LYS  18  12.830   3.156  10.665
  163   1HZ   LYS  18          1HZ       LYS  18  12.666   2.873  13.044
  164   2HZ   LYS  18          2HZ       LYS  18  11.113   3.258  13.022
  165   3HZ   LYS  18          3HZ       LYS  18  12.213   4.348  12.618
  166    H    LYS  19           H        LYS  19   8.185  -1.285   9.054
  167    HA   LYS  19           HA       LYS  19   9.278  -2.566  11.383
  168   1HB   LYS  19          2HB       LYS  19   7.199  -3.481  11.524
  169   2HB   LYS  19          1HB       LYS  19   6.762  -2.405  10.208
  170   1HG   LYS  19          2HG       LYS  19   7.125  -4.180   8.556
  171   2HG   LYS  19          1HG       LYS  19   7.821  -5.225   9.788
  172   1HD   LYS  19          2HD       LYS  19   5.050  -4.173  10.171
  173   2HD   LYS  19          1HD       LYS  19   5.313  -5.485   9.017
  174   1HE   LYS  19          2HE       LYS  19   5.675  -6.997  10.666
  175   2HE   LYS  19          1HE       LYS  19   6.720  -5.894  11.562
  176   1HZ   LYS  19          1HZ       LYS  19   3.805  -5.910  11.580
  177   2HZ   LYS  19          2HZ       LYS  19   4.694  -4.787  12.293
  178   3HZ   LYS  19          3HZ       LYS  19   4.765  -6.303  12.800
  179    H    GLN  20           H        GLN  20   8.681  -3.666   8.080
  180    HA   GLN  20           HA       GLN  20  11.122  -5.249   8.059
  181   1HB   GLN  20          2HB       GLN  20   8.638  -6.393   8.743
  182   2HB   GLN  20          1HB       GLN  20   8.976  -6.887   7.085
  183   1HG   GLN  20          2HG       GLN  20  11.414  -7.049   8.525
  184   2HG   GLN  20          1HG       GLN  20  10.174  -7.842   9.502
  185   1HE2  GLN  20          1HE2      GLN  20  11.622  -9.812   8.786
  186   2HE2  GLN  20          2HE2      GLN  20  11.176 -10.577   7.338
  187    H    ASP  21           H        ASP  21  11.337  -6.377   5.896
  188    HA   ASP  21           HA       ASP  21  10.148  -4.643   3.814
  189   1HB   ASP  21          2HB       ASP  21  12.409  -6.564   3.251
  190   2HB   ASP  21          1HB       ASP  21  12.037  -5.037   2.427
  191    H    GLY  22           H        GLY  22   8.776  -5.765   2.507
  192   1HA   GLY  22          2HA       GLY  22   8.609  -8.637   2.602
  193   2HA   GLY  22          1HA       GLY  22   7.361  -7.821   3.505
  194    H    ALA  23           H        ALA  23   6.709  -9.367   1.218
  195    HA   ALA  23           HA       ALA  23   6.403  -7.530  -0.910
  196   1HB   ALA  23          1HB       ALA  23   6.608  -9.649  -1.778
  197   2HB   ALA  23          2HB       ALA  23   4.850  -9.551  -1.686
  198   3HB   ALA  23          3HB       ALA  23   5.754 -10.382  -0.420
  199    H    LEU  24           H        LEU  24   4.840  -6.354  -1.393
  200    HA   LEU  24           HA       LEU  24   2.475  -6.264   0.393
  201   1HB   LEU  24          2HB       LEU  24   4.227  -4.304  -0.722
  202   2HB   LEU  24          1HB       LEU  24   2.609  -3.961  -1.287
  203    HG   LEU  24           HG       LEU  24   3.676  -4.070   1.509
  204   1HD1  LEU  24          1HD1      LEU  24   1.897  -1.971   1.202
  205   2HD1  LEU  24          2HD1      LEU  24   2.599  -2.113  -0.406
  206   3HD1  LEU  24          3HD1      LEU  24   3.643  -1.852   0.986
  207   1HD2  LEU  24          1HD2      LEU  24   0.898  -4.639   0.551
  208   2HD2  LEU  24          2HD2      LEU  24   1.092  -3.644   1.995
  209   3HD2  LEU  24          3HD2      LEU  24   1.751  -5.279   1.956
  210    H    TYR  25           H        TYR  25   0.472  -6.554  -0.348
  211    HA   TYR  25           HA       TYR  25   0.030  -6.912  -3.260
  212   1HB   TYR  25          2HB       TYR  25  -1.098  -8.175  -0.772
  213   2HB   TYR  25          1HB       TYR  25  -2.118  -8.051  -2.199
  214    HD1  TYR  25           HD1      TYR  25   0.858  -9.629  -0.731
  215    HD2  TYR  25           HD2      TYR  25  -1.596  -9.271  -4.235
  216    HE1  TYR  25           HE1      TYR  25   1.895 -11.688  -1.654
  217    HE2  TYR  25           HE2      TYR  25  -0.559 -11.331  -5.167
  218    HH   TYR  25           HH       TYR  25   2.261 -12.702  -3.906
  219    H    LEU  26           H        LEU  26  -1.696  -5.499  -4.161
  220    HA   LEU  26           HA       LEU  26  -2.983  -3.847  -2.084
  221   1HB   LEU  26          2HB       LEU  26  -1.346  -2.678  -3.658
  222   2HB   LEU  26          1HB       LEU  26  -2.468  -3.064  -4.963
  223    HG   LEU  26           HG       LEU  26  -3.580  -1.768  -2.512
  224   1HD1  LEU  26          1HD1      LEU  26  -1.356  -0.641  -3.666
  225   2HD1  LEU  26          2HD1      LEU  26  -2.617   0.266  -2.832
  226   3HD1  LEU  26          3HD1      LEU  26  -2.658   0.110  -4.588
  227   1HD2  LEU  26          1HD2      LEU  26  -4.651  -0.555  -4.704
  228   2HD2  LEU  26          2HD2      LEU  26  -5.302  -2.033  -3.994
  229   3HD2  LEU  26          3HD2      LEU  26  -4.221  -2.124  -5.384
  230    H    MET  27           H        MET  27  -5.220  -3.749  -2.200
  231    HA   MET  27           HA       MET  27  -6.512  -4.967  -4.542
  232   1HB   MET  27          2HB       MET  27  -6.465  -6.702  -2.809
  233   2HB   MET  27          1HB       MET  27  -7.103  -5.568  -1.625
  234   1HG   MET  27          2HG       MET  27  -9.222  -5.705  -2.429
  235   2HG   MET  27          1HG       MET  27  -8.697  -5.841  -4.103
  236   1HE   MET  27          1HE       MET  27  -7.729  -7.344  -0.959
  237   2HE   MET  27          2HE       MET  27  -6.884  -8.689  -1.722
  238   3HE   MET  27          3HE       MET  27  -8.401  -8.979  -0.876
  239    H    ALA  28           H        ALA  28  -8.369  -3.825  -5.112
  240    HA   ALA  28           HA       ALA  28  -8.717  -1.206  -4.605
  241   1HB   ALA  28          1HB       ALA  28 -10.213  -2.015  -6.184
  242   2HB   ALA  28          2HB       ALA  28 -11.299  -1.793  -4.813
  243   3HB   ALA  28          3HB       ALA  28 -10.675  -3.402  -5.192
  244    H    GLU  29           H        GLU  29 -10.495  -3.668  -2.760
  245    HA   GLU  29           HA       GLU  29 -11.271  -1.644  -0.879
  246   1HB   GLU  29          2HB       GLU  29 -12.670  -3.635  -1.589
  247   2HB   GLU  29          1HB       GLU  29 -11.633  -4.618  -0.554
  248   1HG   GLU  29          2HG       GLU  29 -13.036  -4.064   1.131
  249   2HG   GLU  29          1HG       GLU  29 -12.291  -2.465   1.070
  250    H    ARG  30           H        ARG  30  -8.490  -3.796  -0.937
  251    HA   ARG  30           HA       ARG  30  -7.819  -2.653   1.638
  252   1HB   ARG  30          2HB       ARG  30  -7.748  -4.599   2.913
  253   2HB   ARG  30          1HB       ARG  30  -9.256  -4.764   2.036
  254   1HG   ARG  30          2HG       ARG  30  -7.102  -5.880   0.486
  255   2HG   ARG  30          1HG       ARG  30  -7.067  -6.542   2.120
  256   1HD   ARG  30          2HD       ARG  30  -8.540  -7.940   0.814
  257   2HD   ARG  30          1HD       ARG  30  -9.545  -6.979   1.893
  258    HE   ARG  30           HE       ARG  30  -9.309  -5.501  -0.453
  259   1HH1  ARG  30          1HH2      ARG  30 -10.298  -8.682   0.477
  260   2HH1  ARG  30          2HH2      ARG  30 -11.531  -8.795  -0.731
  261   1HH2  ARG  30          1HH1      ARG  30 -10.963  -5.630  -2.015
  262   2HH2  ARG  30          2HH1      ARG  30 -11.900  -7.079  -2.141
  263    H    ILE  31           H        ILE  31  -5.699  -3.259   2.364
  264    HA   ILE  31           HA       ILE  31  -3.926  -3.956   0.088
  265    HB   ILE  31           HB       ILE  31  -3.924  -1.747   1.962
  266   1HG1  ILE  31          2HG1      ILE  31  -2.350  -2.560  -0.489
  267   2HG1  ILE  31          1HG1      ILE  31  -3.650  -1.376  -0.375
  268   1HG2  ILE  31          1HG2      ILE  31  -2.307  -3.327   3.169
  269   2HG2  ILE  31          2HG2      ILE  31  -1.644  -1.759   2.714
  270   3HG2  ILE  31          3HG2      ILE  31  -1.264  -3.189   1.755
  271   1HD1  ILE  31          1HD1      ILE  31  -2.167  -0.023   1.159
  272   2HD1  ILE  31          2HD1      ILE  31  -1.576  -0.154  -0.498
  273   3HD1  ILE  31          3HD1      ILE  31  -0.860  -1.143   0.774
  274    H    ALA  32           H        ALA  32  -2.703  -5.783   0.333
  275    HA   ALA  32           HA       ALA  32  -2.704  -7.045   3.011
  276   1HB   ALA  32          1HB       ALA  32  -1.903  -8.836   0.928
  277   2HB   ALA  32          2HB       ALA  32  -3.397  -8.033   0.447
  278   3HB   ALA  32          3HB       ALA  32  -3.326  -8.926   1.966
  279    H    TRP  33           H        TRP  33  -0.830  -8.275   3.606
  280    HA   TRP  33           HA       TRP  33   1.637  -7.427   2.242
  281   1HB   TRP  33          2HB       TRP  33   1.217  -5.897   4.170
  282   2HB   TRP  33          1HB       TRP  33   1.277  -7.296   5.232
  283    HD1  TRP  33           HD1      TRP  33   3.505  -6.469   2.213
  284    HE1  TRP  33           HE1      TRP  33   5.941  -6.400   3.044
  285    HE3  TRP  33           HE3      TRP  33   2.905  -7.394   7.216
  286    HZ2  TRP  33           HZ2      TRP  33   7.446  -6.698   5.324
  287    HZ3  TRP  33           HZ3      TRP  33   4.902  -7.539   8.673
  288    HH2  TRP  33           HH2      TRP  33   7.179  -7.211   7.720
  289    H    ALA  34           H        ALA  34   3.274  -8.886   2.392
  290    HA   ALA  34           HA       ALA  34   3.019 -11.192   4.129
  291   1HB   ALA  34          1HB       ALA  34   1.893 -11.440   1.688
  292   2HB   ALA  34          2HB       ALA  34   2.591 -12.773   2.606
  293   3HB   ALA  34          3HB       ALA  34   3.541 -11.977   1.350
  294    HA   PRO  35           HA       PRO  35   7.348 -10.612   3.460
  295   1HB   PRO  35          2HB       PRO  35   7.992 -11.252   6.142
  296   2HB   PRO  35          1HB       PRO  35   7.788  -9.629   5.468
  297   1HG   PRO  35          2HG       PRO  35   6.027 -11.063   7.285
  298   2HG   PRO  35          1HG       PRO  35   5.923  -9.384   6.745
  299   1HD   PRO  35          2HD       PRO  35   4.278 -11.584   5.929
  300   2HD   PRO  35          1HD       PRO  35   4.212  -9.909   5.349
  301    H    GLU  36           H        GLU  36   9.191 -12.181   4.980
  302    HA   GLU  36           HA       GLU  36   8.739 -14.765   3.715
  303   1HB   GLU  36          2HB       GLU  36  11.038 -15.234   4.350
  304   2HB   GLU  36          1HB       GLU  36  10.963 -13.618   3.648
  305   1HG   GLU  36          2HG       GLU  36  11.597 -12.636   5.584
  306   2HG   GLU  36          1HG       GLU  36  10.482 -13.616   6.536
  307    H    GLY  37           H        GLY  37   6.985 -14.043   5.962
  308   1HA   GLY  37          2HA       GLY  37   7.836 -15.269   8.362
  309   2HA   GLY  37          1HA       GLY  37   6.156 -15.008   7.885
  310    H    LYS  38           H        LYS  38   5.007 -16.876   7.673
  311    HA   LYS  38           HA       LYS  38   6.178 -19.098   6.250
  312   1HB   LYS  38          2HB       LYS  38   7.029 -19.408   8.588
  313   2HB   LYS  38          1HB       LYS  38   5.355 -19.492   9.137
  314   1HG   LYS  38          2HG       LYS  38   5.192 -21.322   7.206
  315   2HG   LYS  38          1HG       LYS  38   6.921 -21.460   7.522
  316   1HD   LYS  38          2HD       LYS  38   5.878 -23.033   8.982
  317   2HD   LYS  38          1HD       LYS  38   6.310 -21.657   9.998
  318   1HE   LYS  38          2HE       LYS  38   3.917 -20.791   9.439
  319   2HE   LYS  38          1HE       LYS  38   3.596 -22.461   8.973
  320   1HZ   LYS  38          1HZ       LYS  38   3.685 -23.098  11.083
  321   2HZ   LYS  38          2HZ       LYS  38   3.413 -21.563  11.443
  322   3HZ   LYS  38          3HZ       LYS  38   4.906 -22.138  11.475
  323    H    ASP  39           H        ASP  39   4.182 -17.896   5.207
  324    HA   ASP  39           HA       ASP  39   2.046 -19.777   5.322
  325   1HB   ASP  39          2HB       ASP  39   1.630 -16.889   6.200
  326   2HB   ASP  39          1HB       ASP  39   0.322 -17.966   5.711
  327    H    ARG  40           H        ARG  40   0.652 -17.105   4.071
  328    HA   ARG  40           HA       ARG  40   2.313 -17.083   1.665
  329   1HB   ARG  40          2HB       ARG  40  -0.549 -16.555   1.254
  330   2HB   ARG  40          1HB       ARG  40   0.560 -17.516   0.280
  331   1HG   ARG  40          2HG       ARG  40  -0.437 -18.516   2.952
  332   2HG   ARG  40          1HG       ARG  40  -1.360 -18.773   1.471
  333   1HD   ARG  40          2HD       ARG  40   1.109 -19.553   0.644
  334   2HD   ARG  40          1HD       ARG  40   1.185 -20.010   2.346
  335    HE   ARG  40           HE       ARG  40  -1.239 -20.967   1.525
  336   1HH1  ARG  40          1HH2      ARG  40   2.032 -21.187   0.431
  337   2HH1  ARG  40          2HH2      ARG  40   1.838 -22.776  -0.228
  338   1HH2  ARG  40          1HH1      ARG  40  -1.499 -23.037   0.668
  339   2HH2  ARG  40          2HH1      ARG  40  -0.157 -23.822  -0.094
  340    H    PHE  41           H        PHE  41  -0.228 -15.579   3.482
  341    HA   PHE  41           HA       PHE  41   0.747 -12.917   2.665
  342   1HB   PHE  41          2HB       PHE  41  -1.967 -13.991   3.397
  343   2HB   PHE  41          1HB       PHE  41  -1.612 -12.271   3.566
  344    HD1  PHE  41           HD1      PHE  41  -1.885 -15.083   1.199
  345    HD2  PHE  41           HD2      PHE  41  -1.242 -10.862   1.661
  346    HE1  PHE  41           HE1      PHE  41  -2.191 -14.782  -1.240
  347    HE2  PHE  41           HE2      PHE  41  -1.553 -10.557  -0.791
  348    HZ   PHE  41           HZ       PHE  41  -2.021 -12.526  -2.231
  349    H    THR  42           H        THR  42  -0.190 -11.334   4.572
  350    HA   THR  42           HA       THR  42   0.434 -12.540   7.165
  351    HB   THR  42           HB       THR  42   2.442 -11.307   5.865
  352    HG1  THR  42           HG1      THR  42   2.107 -12.217   8.137
  353   1HG2  THR  42          1HG2      THR  42   1.638  -9.034   7.614
  354   2HG2  THR  42          2HG2      THR  42   0.875  -9.139   6.035
  355   3HG2  THR  42          3HG2      THR  42   2.621  -9.044   6.152
  356    H    ILE  43           H        ILE  43  -0.706  -9.756   5.342
  357    HA   ILE  43           HA       ILE  43  -2.861  -9.484   7.313
  358    HB   ILE  43           HB       ILE  43  -2.438  -7.011   7.556
  359   1HG1  ILE  43          2HG1      ILE  43   0.415  -7.515   6.879
  360   2HG1  ILE  43          1HG1      ILE  43  -0.698  -7.297   5.528
  361   1HG2  ILE  43          1HG2      ILE  43  -1.069  -7.350   9.426
  362   2HG2  ILE  43          2HG2      ILE  43  -0.096  -8.576   8.613
  363   3HG2  ILE  43          3HG2      ILE  43  -1.730  -8.962   9.154
  364   1HD1  ILE  43          1HD1      ILE  43  -0.962  -5.093   5.957
  365   2HD1  ILE  43          2HD1      ILE  43   0.490  -5.251   6.946
  366   3HD1  ILE  43          3HD1      ILE  43  -1.104  -5.363   7.694
  367    H    SER  44           H        SER  44  -4.319  -7.598   6.696
  368    HA   SER  44           HA       SER  44  -4.401  -6.756   3.966
  369   1HB   SER  44          2HB       SER  44  -6.631  -8.618   4.762
  370   2HB   SER  44          1HB       SER  44  -6.184  -8.062   3.152
  371    HG   SER  44           HG       SER  44  -5.465 -10.171   3.442
  372    H    HIS  45           H        HIS  45  -5.045  -4.679   4.521
  373    HA   HIS  45           HA       HIS  45  -7.180  -4.467   6.558
  374   1HB   HIS  45          2HB       HIS  45  -6.071  -1.945   5.848
  375   2HB   HIS  45          1HB       HIS  45  -6.063  -2.731   7.422
  376    HD1  HIS  45           HD1      HIS  45  -3.784  -3.320   8.269
  377    HD2  HIS  45           HD2      HIS  45  -3.856  -2.917   4.130
  378    HE1  HIS  45           HE1      HIS  45  -1.381  -3.519   7.496
  379    H    MET  46           H        MET  46  -9.090  -3.748   5.953
  380    HA   MET  46           HA       MET  46  -9.623  -3.135   3.187
  381   1HB   MET  46          2HB       MET  46 -11.197  -3.513   5.659
  382   2HB   MET  46          1HB       MET  46 -11.886  -2.358   4.517
  383   1HG   MET  46          2HG       MET  46 -12.764  -4.245   3.570
  384   2HG   MET  46          1HG       MET  46 -11.178  -4.334   2.805
  385   1HE   MET  46          1HE       MET  46 -12.858  -6.561   6.369
  386   2HE   MET  46          2HE       MET  46 -13.232  -4.948   5.766
  387   3HE   MET  46          3HE       MET  46 -11.841  -5.185   6.821
  388    H    TYR  47           H        TYR  47  -8.886  -1.218   2.431
  389    HA   TYR  47           HA       TYR  47  -7.991   1.012   3.538
  390   1HB   TYR  47          2HB       TYR  47  -9.728   0.631   1.154
  391   2HB   TYR  47          1HB       TYR  47  -9.446   2.282   1.702
  392    HD1  TYR  47           HD1      TYR  47  -7.344   3.348   1.310
  393    HD2  TYR  47           HD2      TYR  47  -7.699  -0.886   0.723
  394    HE1  TYR  47           HE1      TYR  47  -5.111   3.313   0.291
  395    HE2  TYR  47           HE2      TYR  47  -5.450  -0.924  -0.298
  396    HH   TYR  47           HH       TYR  47  -3.969   0.930  -1.559
  397    H    ALA  48           H        ALA  48 -11.500   0.277   3.587
  398    HA   ALA  48           HA       ALA  48 -12.259   2.828   4.629
  399   1HB   ALA  48          1HB       ALA  48 -13.998   1.472   3.715
  400   2HB   ALA  48          2HB       ALA  48 -14.289   1.508   5.457
  401   3HB   ALA  48          3HB       ALA  48 -13.542   0.092   4.718
  402    H    ASP  49           H        ASP  49 -11.484  -0.253   6.054
  403    HA   ASP  49           HA       ASP  49 -11.722   0.538   8.802
  404   1HB   ASP  49          2HB       ASP  49 -10.016  -1.658   7.586
  405   2HB   ASP  49          1HB       ASP  49 -10.441  -1.508   9.290
  406    H    ILE  50           H        ILE  50  -9.588   1.497   6.432
  407    HA   ILE  50           HA       ILE  50  -7.546   2.258   8.438
  408    HB   ILE  50           HB       ILE  50  -6.776   2.216   5.580
  409   1HG1  ILE  50          2HG1      ILE  50  -8.134   0.131   5.804
  410   2HG1  ILE  50          1HG1      ILE  50  -6.428  -0.188   5.499
  411   1HG2  ILE  50          1HG2      ILE  50  -5.317   0.915   7.857
  412   2HG2  ILE  50          2HG2      ILE  50  -5.382   2.673   7.750
  413   3HG2  ILE  50          3HG2      ILE  50  -4.665   1.736   6.440
  414   1HD1  ILE  50          1HD1      ILE  50  -7.558  -0.085   8.295
  415   2HD1  ILE  50          2HD1      ILE  50  -6.022  -0.767   7.768
  416   3HD1  ILE  50          3HD1      ILE  50  -7.533  -1.573   7.354
  417    H    LYS  51           H        LYS  51  -8.145   4.573   8.766
  418    HA   LYS  51           HA       LYS  51  -8.390   5.928   6.153
  419   1HB   LYS  51          2HB       LYS  51 -10.606   5.605   7.410
  420   2HB   LYS  51          1HB       LYS  51  -9.994   6.832   8.515
  421   1HG   LYS  51          2HG       LYS  51 -11.374   7.741   6.572
  422   2HG   LYS  51          1HG       LYS  51  -9.769   8.448   6.776
  423   1HD   LYS  51          2HD       LYS  51 -10.459   7.768   4.382
  424   2HD   LYS  51          1HD       LYS  51  -8.866   7.257   4.951
  425   1HE   LYS  51          2HE       LYS  51  -9.851   5.332   3.930
  426   2HE   LYS  51          1HE       LYS  51  -9.974   5.067   5.664
  427   1HZ   LYS  51          1HZ       LYS  51 -12.028   4.624   4.538
  428   2HZ   LYS  51          2HZ       LYS  51 -12.105   6.120   3.987
  429   3HZ   LYS  51          3HZ       LYS  51 -12.211   5.839   5.560
  430    H    CYS  52           H        CYS  52  -6.626   6.952   6.036
  431    HA   CYS  52           HA       CYS  52  -6.225   9.421   7.109
  432   1HB   CYS  52          2HB       CYS  52  -5.197   7.238   8.751
  433   2HB   CYS  52          1HB       CYS  52  -3.993   8.465   8.371
  434    HG   CYS  52           HG       CYS  52  -6.738   9.324   9.597
  435    H    GLN  53           H        GLN  53  -4.616  10.321   5.734
  436    HA   GLN  53           HA       GLN  53  -2.898   8.301   4.406
  437   1HB   GLN  53          2HB       GLN  53  -4.859  10.189   3.140
  438   2HB   GLN  53          1HB       GLN  53  -3.430   9.667   2.248
  439   1HG   GLN  53          2HG       GLN  53  -4.420   7.318   3.387
  440   2HG   GLN  53          1HG       GLN  53  -5.861   8.185   2.858
  441   1HE2  GLN  53          1HE2      GLN  53  -5.660   6.079   1.324
  442   2HE2  GLN  53          2HE2      GLN  53  -4.876   6.364  -0.155
  443    H    LYS  54           H        LYS  54  -0.954   8.842   4.489
  444    HA   LYS  54           HA       LYS  54  -0.113  11.676   4.549
  445   1HB   LYS  54          2HB       LYS  54   0.303   9.498   6.341
  446   2HB   LYS  54          1HB       LYS  54   1.844   9.816   5.552
  447   1HG   LYS  54          2HG       LYS  54   0.128  11.943   6.852
  448   2HG   LYS  54          1HG       LYS  54   1.474  11.134   7.653
  449   1HD   LYS  54          2HD       LYS  54   3.059  12.226   6.401
  450   2HD   LYS  54          1HD       LYS  54   2.028  12.298   4.971
  451   1HE   LYS  54          2HE       LYS  54   0.898  14.202   5.717
  452   2HE   LYS  54          1HE       LYS  54   1.300  13.899   7.407
  453   1HZ   LYS  54          1HZ       LYS  54   3.383  14.713   7.097
  454   2HZ   LYS  54          2HZ       LYS  54   2.571  15.667   6.101
  455   3HZ   LYS  54          3HZ       LYS  54   3.418  14.440   5.520
  456    H    ILE  55           H        ILE  55   0.783  12.097   2.509
  457    HA   ILE  55           HA       ILE  55   2.481   9.932   1.413
  458    HB   ILE  55           HB       ILE  55   1.003  11.894  -0.327
  459   1HG1  ILE  55          2HG1      ILE  55  -0.667  10.764   1.126
  460   2HG1  ILE  55          1HG1      ILE  55  -0.805  10.245  -0.554
  461   1HG2  ILE  55          1HG2      ILE  55   2.433  10.762  -1.713
  462   2HG2  ILE  55          2HG2      ILE  55   1.148   9.554  -1.672
  463   3HG2  ILE  55          3HG2      ILE  55   2.557   9.378  -0.626
  464   1HD1  ILE  55          1HD1      ILE  55   1.107   8.582   0.829
  465   2HD1  ILE  55          2HD1      ILE  55  -0.386   8.110   0.018
  466   3HD1  ILE  55          3HD1      ILE  55  -0.420   8.602   1.711
  467    H    SER  56           H        SER  56   4.467  10.770   1.954
  468    HA   SER  56           HA       SER  56   5.018  13.489   0.974
  469   1HB   SER  56          2HB       SER  56   6.740  12.268   3.065
  470   2HB   SER  56          1HB       SER  56   6.283  13.952   2.830
  471    HG   SER  56           HG       SER  56   5.086  11.989   4.301
  472    HA   PRO  57           HA       PRO  57   8.357  10.380  -0.256
  473   1HB   PRO  57          2HB       PRO  57   7.174   9.056  -2.527
  474   2HB   PRO  57          1HB       PRO  57   7.843   8.391  -1.045
  475   1HG   PRO  57          2HG       PRO  57   5.089   8.611  -1.781
  476   2HG   PRO  57          1HG       PRO  57   5.768   7.823  -0.371
  477   1HD   PRO  57          2HD       PRO  57   4.340  10.297  -0.436
  478   2HD   PRO  57          1HD       PRO  57   5.140   9.540   0.952
  479    H    GLU  58           H        GLU  58   6.235  12.575  -1.655
  480    HA   GLU  58           HA       GLU  58   7.428  12.905  -4.203
  481   1HB   GLU  58          2HB       GLU  58   5.544  14.333  -2.501
  482   2HB   GLU  58          1HB       GLU  58   6.640  15.444  -3.324
  483   1HG   GLU  58          2HG       GLU  58   5.920  13.501  -5.244
  484   2HG   GLU  58          1HG       GLU  58   4.426  13.949  -4.419
  485    H    GLY  59           H        GLY  59   8.570  13.460  -1.014
  486   1HA   GLY  59          2HA       GLY  59  10.930  14.808  -2.139
  487   2HA   GLY  59          1HA       GLY  59  10.120  15.528  -0.748
  488    H    LYS  60           H        LYS  60  10.148  12.061  -0.988
  489    HA   LYS  60           HA       LYS  60  11.794  11.950   1.427
  490   1HB   LYS  60          2HB       LYS  60  10.113   9.954  -0.109
  491   2HB   LYS  60          1HB       LYS  60  11.166   9.428   1.199
  492   1HG   LYS  60          2HG       LYS  60   9.035  11.560   1.472
  493   2HG   LYS  60          1HG       LYS  60   8.846   9.883   1.977
  494   1HD   LYS  60          2HD       LYS  60  10.765  11.949   3.073
  495   2HD   LYS  60          1HD       LYS  60   9.493  11.086   3.939
  496   1HE   LYS  60          2HE       LYS  60  10.940   8.987   3.013
  497   2HE   LYS  60          1HE       LYS  60  12.220  10.186   3.194
  498   1HZ   LYS  60          1HZ       LYS  60  10.645   8.919   5.202
  499   2HZ   LYS  60          2HZ       LYS  60  10.891  10.482   5.436
  500   3HZ   LYS  60          3HZ       LYS  60  12.138   9.490   5.291
  501    H    ALA  61           H        ALA  61  12.294   9.098  -0.156
  502    HA   ALA  61           HA       ALA  61  14.684  10.064  -1.561
  503   1HB   ALA  61          1HB       ALA  61  14.435   8.037   0.613
  504   2HB   ALA  61          2HB       ALA  61  15.789   9.096   0.216
  505   3HB   ALA  61          3HB       ALA  61  15.505   7.635  -0.731
  506    H    LYS  62           H        LYS  62  11.876   8.092  -1.360
  507    HA   LYS  62           HA       LYS  62  12.057   7.421  -4.100
  508   1HB   LYS  62          2HB       LYS  62  11.516   4.923  -3.396
  509   2HB   LYS  62          1HB       LYS  62  13.159   5.462  -3.740
  510   1HG   LYS  62          2HG       LYS  62  12.066   5.802  -0.974
  511   2HG   LYS  62          1HG       LYS  62  12.614   4.213  -1.490
  512   1HD   LYS  62          2HD       LYS  62  14.541   6.209  -2.250
  513   2HD   LYS  62          1HD       LYS  62  14.173   6.331  -0.527
  514   1HE   LYS  62          2HE       LYS  62  14.408   3.709  -0.597
  515   2HE   LYS  62          1HE       LYS  62  15.354   4.038  -2.050
  516   1HZ   LYS  62          1HZ       LYS  62  16.976   4.383  -0.610
  517   2HZ   LYS  62          2HZ       LYS  62  16.009   4.544   0.655
  518   3HZ   LYS  62          3HZ       LYS  62  16.293   5.798  -0.299
  519    H    ILE  63           H        ILE  63  10.311   5.492  -1.890
  520    HA   ILE  63           HA       ILE  63   7.976   7.162  -2.199
  521    HB   ILE  63           HB       ILE  63   6.688   5.886  -3.552
  522   1HG1  ILE  63          2HG1      ILE  63   7.138   3.698  -2.320
  523   2HG1  ILE  63          1HG1      ILE  63   7.024   3.546  -4.028
  524   1HG2  ILE  63          1HG2      ILE  63   9.556   5.429  -4.451
  525   2HG2  ILE  63          2HG2      ILE  63   8.526   6.812  -4.852
  526   3HG2  ILE  63          3HG2      ILE  63   8.140   5.218  -5.485
  527   1HD1  ILE  63          1HD1      ILE  63   9.168   2.774  -2.388
  528   2HD1  ILE  63          2HD1      ILE  63   9.730   4.184  -3.284
  529   3HD1  ILE  63          3HD1      ILE  63   9.136   2.768  -4.148
  530    H    GLN  64           H        GLN  64   7.965   7.242   0.076
  531    HA   GLN  64           HA       GLN  64   7.054   4.715   1.340
  532   1HB   GLN  64          2HB       GLN  64   7.474   6.188   3.505
  533   2HB   GLN  64          1HB       GLN  64   8.794   5.307   2.742
  534   1HG   GLN  64          2HG       GLN  64   8.260   8.034   1.687
  535   2HG   GLN  64          1HG       GLN  64   8.923   7.938   3.314
  536   1HE2  GLN  64          1HE2      GLN  64   9.741   7.740  -0.026
  537   2HE2  GLN  64          2HE2      GLN  64  11.333   7.187   0.171
  538    H    LEU  65           H        LEU  65   4.921   4.650   1.836
  539    HA   LEU  65           HA       LEU  65   3.525   7.238   1.914
  540   1HB   LEU  65          2HB       LEU  65   1.480   5.914   1.241
  541   2HB   LEU  65          1HB       LEU  65   2.742   6.044   0.023
  542    HG   LEU  65           HG       LEU  65   1.663   3.732   0.370
  543   1HD1  LEU  65          1HD1      LEU  65   4.219   2.771   0.584
  544   2HD1  LEU  65          2HD1      LEU  65   4.491   4.434   0.045
  545   3HD1  LEU  65          3HD1      LEU  65   3.474   3.355  -0.906
  546   1HD2  LEU  65          1HD2      LEU  65   1.844   3.921   2.895
  547   2HD2  LEU  65          2HD2      LEU  65   3.566   3.612   2.684
  548   3HD2  LEU  65          3HD2      LEU  65   2.389   2.405   2.186
  549    H    GLN  66           H        GLN  66   1.470   7.202   3.308
  550    HA   GLN  66           HA       GLN  66   1.711   5.345   5.570
  551   1HB   GLN  66          2HB       GLN  66   2.570   8.080   5.625
  552   2HB   GLN  66          1HB       GLN  66   1.169   7.894   6.681
  553   1HG   GLN  66          2HG       GLN  66   2.234   6.069   7.875
  554   2HG   GLN  66          1HG       GLN  66   3.589   6.071   6.744
  555   1HE2  GLN  66          1HE2      GLN  66   4.711   8.372   6.590
  556   2HE2  GLN  66          2HE2      GLN  66   4.940   9.174   8.069
  557    H    LEU  67           H        LEU  67  -0.183   4.772   6.362
  558    HA   LEU  67           HA       LEU  67  -2.618   6.337   5.760
  559   1HB   LEU  67          2HB       LEU  67  -1.999   4.113   4.324
  560   2HB   LEU  67          1HB       LEU  67  -2.822   3.370   5.694
  561    HG   LEU  67           HG       LEU  67  -4.049   5.731   4.290
  562   1HD1  LEU  67          1HD1      LEU  67  -4.429   4.549   2.422
  563   2HD1  LEU  67          2HD1      LEU  67  -5.225   3.293   3.375
  564   3HD1  LEU  67          3HD1      LEU  67  -3.487   3.209   3.076
  565   1HD2  LEU  67          1HD2      LEU  67  -5.949   3.813   5.069
  566   2HD2  LEU  67          2HD2      LEU  67  -5.580   5.324   5.902
  567   3HD2  LEU  67          3HD2      LEU  67  -4.762   3.835   6.374
  568    H    VAL  68           H        VAL  68  -3.963   6.439   7.599
  569    HA   VAL  68           HA       VAL  68  -3.021   4.701   9.800
  570    HB   VAL  68           HB       VAL  68  -4.682   7.144  10.332
  571   1HG1  VAL  68          1HG1      VAL  68  -2.610   5.562  11.850
  572   2HG1  VAL  68          2HG1      VAL  68  -4.346   5.604  12.177
  573   3HG1  VAL  68          3HG1      VAL  68  -3.362   7.038  12.445
  574   1HG2  VAL  68          1HG2      VAL  68  -2.196   7.200   9.061
  575   2HG2  VAL  68          2HG2      VAL  68  -1.848   7.449  10.770
  576   3HG2  VAL  68          3HG2      VAL  68  -2.956   8.534   9.929
  577    H    LEU  69           H        LEU  69  -4.515   3.930  11.255
  578    HA   LEU  69           HA       LEU  69  -6.863   2.859   9.957
  579   1HB   LEU  69          2HB       LEU  69  -5.527   2.501  12.645
  580   2HB   LEU  69          1HB       LEU  69  -7.018   1.672  12.215
  581    HG   LEU  69           HG       LEU  69  -4.808   0.406  11.827
  582   1HD1  LEU  69          1HD1      LEU  69  -6.913   0.812   9.757
  583   2HD1  LEU  69          2HD1      LEU  69  -6.737  -0.512  10.908
  584   3HD1  LEU  69          3HD1      LEU  69  -5.620  -0.372   9.538
  585   1HD2  LEU  69          1HD2      LEU  69  -3.556   2.236  10.749
  586   2HD2  LEU  69          2HD2      LEU  69  -4.727   2.253   9.435
  587   3HD2  LEU  69          3HD2      LEU  69  -3.699   0.847   9.681
  588    H    HIS  70           H        HIS  70  -9.051   3.277  10.708
  589    HA   HIS  70           HA       HIS  70  -9.712   5.837  11.569
  590   1HB   HIS  70          2HB       HIS  70 -11.063   3.157  11.984
  591   2HB   HIS  70          1HB       HIS  70 -11.765   4.637  12.632
  592    HD1  HIS  70           HD1      HIS  70 -13.020   6.126  11.026
  593    HD2  HIS  70           HD2      HIS  70 -10.829   3.175   9.060
  594    HE1  HIS  70           HE1      HIS  70 -13.714   6.218   8.592
  595    H    ALA  71           H        ALA  71  -8.877   2.956  13.243
  596    HA   ALA  71           HA       ALA  71  -9.144   3.896  15.934
  597   1HB   ALA  71          1HB       ALA  71  -7.095   1.831  15.423
  598   2HB   ALA  71          2HB       ALA  71  -8.697   1.441  14.798
  599   3HB   ALA  71          3HB       ALA  71  -8.481   1.794  16.513
  600    H    GLY  72           H        GLY  72  -6.469   3.119  16.846
  601   1HA   GLY  72          2HA       GLY  72  -5.038   5.561  16.008
  602   2HA   GLY  72          1HA       GLY  72  -4.877   4.782  17.585
  603    H    ASP  73           H        ASP  73  -4.804   3.627  14.326
  604    HA   ASP  73           HA       ASP  73  -2.112   2.489  14.866
  605   1HB   ASP  73          2HB       ASP  73  -3.592   0.633  14.957
  606   2HB   ASP  73          1HB       ASP  73  -4.501   1.194  13.557
  607    H    THR  74           H        THR  74  -0.663   2.608  13.233
  608    HA   THR  74           HA       THR  74  -1.544   4.189  10.905
  609    HB   THR  74           HB       THR  74   1.349   3.853  11.481
  610    HG1  THR  74           HG1      THR  74   0.602   4.211  13.543
  611   1HG2  THR  74          1HG2      THR  74   1.457   5.686  10.175
  612   2HG2  THR  74          2HG2      THR  74   0.268   6.537  11.161
  613   3HG2  THR  74          3HG2      THR  74  -0.265   5.462   9.869
  614    H    THR  75           H        THR  75  -0.541   3.642   8.835
  615    HA   THR  75           HA       THR  75   0.405   0.867   8.691
  616    HB   THR  75           HB       THR  75  -1.731   2.215   7.007
  617    HG1  THR  75           HG1      THR  75  -1.925   0.780   9.106
  618   1HG2  THR  75          1HG2      THR  75   0.038  -0.148   6.473
  619   2HG2  THR  75          2HG2      THR  75  -0.499   1.115   5.366
  620   3HG2  THR  75          3HG2      THR  75  -1.618  -0.153   5.867
  621    H    ASN  76           H        ASN  76   2.548   1.407   8.119
  622    HA   ASN  76           HA       ASN  76   2.833   3.521   6.078
  623   1HB   ASN  76          2HB       ASN  76   4.903   2.402   7.990
  624   2HB   ASN  76          1HB       ASN  76   5.124   3.764   6.890
  625   1HD2  ASN  76          1HD2      ASN  76   5.508   5.239   8.717
  626   2HD2  ASN  76          2HD2      ASN  76   4.228   5.747   9.709
  627    H    PHE  77           H        PHE  77   4.075   3.055   4.224
  628    HA   PHE  77           HA       PHE  77   5.268   0.425   4.054
  629   1HB   PHE  77          2HB       PHE  77   2.630   0.878   3.050
  630   2HB   PHE  77          1HB       PHE  77   3.714   0.590   1.688
  631    HD1  PHE  77           HD1      PHE  77   5.742  -1.113   2.881
  632    HD2  PHE  77           HD2      PHE  77   1.496  -1.187   3.402
  633    HE1  PHE  77           HE1      PHE  77   5.874  -3.492   3.473
  634    HE2  PHE  77           HE2      PHE  77   1.612  -3.583   3.985
  635    HZ   PHE  77           HZ       PHE  77   3.830  -4.723   4.014
  636    H    HIS  78           H        HIS  78   6.793   0.289   2.603
  637    HA   HIS  78           HA       HIS  78   7.327   2.600   0.825
  638   1HB   HIS  78          2HB       HIS  78   8.445   3.064   2.956
  639   2HB   HIS  78          1HB       HIS  78   9.270   1.511   2.881
  640    HD1  HIS  78           HD1      HIS  78  11.101   1.201   1.145
  641    HD2  HIS  78           HD2      HIS  78   9.484   5.039   1.072
  642    HE1  HIS  78           HE1      HIS  78  12.543   2.592  -0.357
  643    H    PHE  79           H        PHE  79   9.211   2.208  -0.600
  644    HA   PHE  79           HA       PHE  79   9.869  -0.626  -1.107
  645   1HB   PHE  79          2HB       PHE  79   9.040   1.165  -3.343
  646   2HB   PHE  79          1HB       PHE  79   9.164  -0.580  -3.334
  647    HD1  PHE  79           HD1      PHE  79   7.259   2.184  -1.622
  648    HD2  PHE  79           HD2      PHE  79   7.185  -1.769  -3.286
  649    HE1  PHE  79           HE1      PHE  79   4.769   2.146  -1.399
  650    HE2  PHE  79           HE2      PHE  79   4.737  -1.844  -2.983
  651    HZ   PHE  79           HZ       PHE  79   3.537   0.100  -2.081
  652    H    SER  80           H        SER  80  12.084  -0.788  -2.213
  653    HA   SER  80           HA       SER  80  13.105   1.246  -3.704
  654   1HB   SER  80          2HB       SER  80  13.430   2.714  -1.922
  655   2HB   SER  80          1HB       SER  80  13.877   1.412  -0.814
  656    HG   SER  80           HG       SER  80  15.796   1.163  -1.932
  657    H    ASN  81           H        ASN  81  14.981   0.425  -4.683
  658    HA   ASN  81           HA       ASN  81  16.360  -1.787  -3.394
  659   1HB   ASN  81          2HB       ASN  81  14.862  -2.121  -6.009
  660   2HB   ASN  81          1HB       ASN  81  16.053  -3.268  -5.391
  661   1HD2  ASN  81          1HD2      ASN  81  12.977  -1.668  -4.450
  662   2HD2  ASN  81          2HD2      ASN  81  12.447  -2.944  -3.468
  663    H    GLU  82           H        GLU  82  16.899  -2.062  -6.660
  664    HA   GLU  82           HA       GLU  82  19.163  -0.188  -6.459
  665   1HB   GLU  82          2HB       GLU  82  18.900  -2.404  -8.486
  666   2HB   GLU  82          1HB       GLU  82  20.365  -1.618  -7.895
  667   1HG   GLU  82          2HG       GLU  82  18.552  -3.338  -6.179
  668   2HG   GLU  82          1HG       GLU  82  20.025  -3.920  -6.954
  669    H    SER  83           H        SER  83  16.553  -1.361  -8.591
  670    HA   SER  83           HA       SER  83  16.531   1.286  -9.821
  671   1HB   SER  83          2HB       SER  83  17.069  -1.266 -11.334
  672   2HB   SER  83          1HB       SER  83  16.512   0.214 -12.108
  673    HG   SER  83           HG       SER  83  18.982  -0.456 -11.167
  674    H    THR  84           H        THR  84  14.667  -0.771  -8.233
  675    HA   THR  84           HA       THR  84  12.458  -0.480 -10.196
  676    HB   THR  84           HB       THR  84  13.252  -2.877  -9.444
  677    HG1  THR  84           HG1      THR  84  11.090  -3.535  -9.513
  678   1HG2  THR  84          1HG2      THR  84  11.412  -2.410  -7.135
  679   2HG2  THR  84          2HG2      THR  84  13.110  -1.965  -6.965
  680   3HG2  THR  84          3HG2      THR  84  12.669  -3.631  -7.338
  681    H    ALA  85           H        ALA  85  13.621   1.294  -8.015
  682    HA   ALA  85           HA       ALA  85  11.529   1.214  -6.013
  683   1HB   ALA  85          1HB       ALA  85  13.987   1.630  -5.566
  684   2HB   ALA  85          2HB       ALA  85  12.855   2.728  -4.782
  685   3HB   ALA  85          3HB       ALA  85  13.734   3.244  -6.221
  686    H    VAL  86           H        VAL  86  10.921   2.558  -8.983
  687    HA   VAL  86           HA       VAL  86   9.811   4.930  -7.648
  688    HB   VAL  86           HB       VAL  86  10.657   4.924 -10.530
  689   1HG1  VAL  86          1HG1      VAL  86  11.064   7.365  -9.083
  690   2HG1  VAL  86          2HG1      VAL  86   9.450   6.760  -8.712
  691   3HG1  VAL  86          3HG1      VAL  86   9.921   7.046 -10.387
  692   1HG2  VAL  86          1HG2      VAL  86  12.800   5.990  -9.710
  693   2HG2  VAL  86          2HG2      VAL  86  12.667   4.267  -9.355
  694   3HG2  VAL  86          3HG2      VAL  86  12.372   5.454  -8.085
  695    H    LYS  87           H        LYS  87   9.490   3.329 -10.863
  696    HA   LYS  87           HA       LYS  87   6.825   4.077 -11.282
  697   1HB   LYS  87          2HB       LYS  87   8.756   2.241 -12.470
  698   2HB   LYS  87          1HB       LYS  87   7.083   1.716 -12.664
  699   1HG   LYS  87          2HG       LYS  87   6.818   4.359 -13.222
  700   2HG   LYS  87          1HG       LYS  87   8.463   4.084 -13.796
  701   1HD   LYS  87          2HD       LYS  87   7.770   2.803 -15.539
  702   2HD   LYS  87          1HD       LYS  87   6.551   1.978 -14.566
  703   1HE   LYS  87          2HE       LYS  87   5.322   4.305 -14.657
  704   2HE   LYS  87          1HE       LYS  87   6.334   4.563 -16.078
  705   1HZ   LYS  87          1HZ       LYS  87   4.827   2.109 -15.803
  706   2HZ   LYS  87          2HZ       LYS  87   5.348   2.820 -17.139
  707   3HZ   LYS  87          3HZ       LYS  87   4.096   3.426 -16.348
  708    H    GLU  88           H        GLU  88   7.829   0.770 -10.552
  709    HA   GLU  88           HA       GLU  88   5.548  -0.582 -10.300
  710   1HB   GLU  88          2HB       GLU  88   7.351  -0.872  -7.914
  711   2HB   GLU  88          1HB       GLU  88   6.585  -2.111  -8.866
  712   1HG   GLU  88          2HG       GLU  88   8.204  -0.861 -10.695
  713   2HG   GLU  88          1HG       GLU  88   9.141  -0.817  -9.219
  714    H    ARG  89           H        ARG  89   6.756   0.697  -7.215
  715    HA   ARG  89           HA       ARG  89   4.118   0.645  -6.191
  716   1HB   ARG  89          2HB       ARG  89   5.286   2.297  -4.420
  717   2HB   ARG  89          1HB       ARG  89   5.429   0.548  -4.360
  718   1HG   ARG  89          2HG       ARG  89   7.607   1.658  -4.158
  719   2HG   ARG  89          1HG       ARG  89   7.528   0.656  -5.601
  720   1HD   ARG  89          2HD       ARG  89   6.535   3.307  -6.077
  721   2HD   ARG  89          1HD       ARG  89   8.155   3.381  -5.433
  722    HE   ARG  89           HE       ARG  89   7.537   2.757  -8.035
  723   1HH1  ARG  89          1HH2      ARG  89   9.267   1.231  -5.445
  724   2HH1  ARG  89          2HH2      ARG  89  10.190   0.260  -6.529
  725   1HH2  ARG  89          1HH1      ARG  89   8.849   1.641  -9.375
  726   2HH2  ARG  89          2HH1      ARG  89  10.014   0.557  -8.734
  727    H    ASP  90           H        ASP  90   5.931   2.936  -8.038
  728    HA   ASP  90           HA       ASP  90   4.760   5.364  -7.328
  729   1HB   ASP  90          2HB       ASP  90   5.916   4.339  -9.738
  730   2HB   ASP  90          1HB       ASP  90   4.452   5.207 -10.157
  731    H    ALA  91           H        ALA  91   3.403   2.945  -9.578
  732    HA   ALA  91           HA       ALA  91   0.830   4.067  -9.683
  733   1HB   ALA  91          1HB       ALA  91   2.115   1.490 -10.328
  734   2HB   ALA  91          2HB       ALA  91   0.886   2.387 -11.224
  735   3HB   ALA  91          3HB       ALA  91   0.414   1.352  -9.876
  736    H    VAL  92           H        VAL  92   2.149   1.412  -7.655
  737    HA   VAL  92           HA       VAL  92   0.024   0.793  -6.045
  738    HB   VAL  92           HB       VAL  92   2.855   1.352  -5.130
  739   1HG1  VAL  92          1HG1      VAL  92   1.968   1.297  -3.048
  740   2HG1  VAL  92          2HG1      VAL  92   1.757  -0.430  -3.340
  741   3HG1  VAL  92          3HG1      VAL  92   0.420   0.684  -3.629
  742   1HG2  VAL  92          1HG2      VAL  92   3.247  -0.929  -5.432
  743   2HG2  VAL  92          2HG2      VAL  92   2.199  -0.563  -6.804
  744   3HG2  VAL  92          3HG2      VAL  92   1.534  -1.337  -5.363
  745    H    LYS  93           H        LYS  93   2.280   3.428  -5.123
  746    HA   LYS  93           HA       LYS  93   0.569   4.476  -3.159
  747   1HB   LYS  93          2HB       LYS  93   2.729   5.281  -2.963
  748   2HB   LYS  93          1HB       LYS  93   2.922   5.486  -4.705
  749   1HG   LYS  93          2HG       LYS  93   1.836   7.541  -4.712
  750   2HG   LYS  93          1HG       LYS  93   0.913   7.174  -3.251
  751   1HD   LYS  93          2HD       LYS  93   2.531   8.009  -1.906
  752   2HD   LYS  93          1HD       LYS  93   3.803   7.156  -2.780
  753   1HE   LYS  93          2HE       LYS  93   2.470   9.701  -3.752
  754   2HE   LYS  93          1HE       LYS  93   4.028   9.642  -2.927
  755   1HZ   LYS  93          1HZ       LYS  93   3.449   8.203  -5.395
  756   2HZ   LYS  93          2HZ       LYS  93   4.877   8.349  -4.688
  757   3HZ   LYS  93          3HZ       LYS  93   4.180   9.627  -5.352
  758    H    ASP  94           H        ASP  94   1.073   5.281  -6.568
  759    HA   ASP  94           HA       ASP  94  -0.721   7.331  -6.940
  760   1HB   ASP  94          2HB       ASP  94   0.769   6.075  -8.665
  761   2HB   ASP  94          1HB       ASP  94  -0.636   5.027  -8.866
  762    H    LEU  95           H        LEU  95  -1.440   4.052  -5.969
  763    HA   LEU  95           HA       LEU  95  -4.236   4.375  -6.760
  764   1HB   LEU  95          2HB       LEU  95  -3.270   2.160  -4.991
  765   2HB   LEU  95          1HB       LEU  95  -4.506   2.126  -6.248
  766    HG   LEU  95           HG       LEU  95  -1.509   2.129  -6.591
  767   1HD1  LEU  95          1HD1      LEU  95  -2.869   0.268  -8.234
  768   2HD1  LEU  95          2HD1      LEU  95  -3.619   0.172  -6.641
  769   3HD1  LEU  95          3HD1      LEU  95  -1.882  -0.078  -6.814
  770   1HD2  LEU  95          1HD2      LEU  95  -2.121   3.626  -8.291
  771   2HD2  LEU  95          2HD2      LEU  95  -3.707   2.886  -8.503
  772   3HD2  LEU  95          3HD2      LEU  95  -2.266   2.073  -9.113
  773    H    LEU  96           H        LEU  96  -2.121   4.123  -3.901
  774    HA   LEU  96           HA       LEU  96  -3.783   4.259  -1.786
  775   1HB   LEU  96          2HB       LEU  96  -1.350   5.963  -2.383
  776   2HB   LEU  96          1HB       LEU  96  -2.171   6.029  -0.833
  777    HG   LEU  96           HG       LEU  96  -0.383   3.921  -1.938
  778   1HD1  LEU  96          1HD1      LEU  96  -0.237   3.627   0.653
  779   2HD1  LEU  96          2HD1      LEU  96  -1.114   5.158   0.694
  780   3HD1  LEU  96          3HD1      LEU  96   0.458   5.061  -0.108
  781   1HD2  LEU  96          1HD2      LEU  96  -2.794   3.206  -0.225
  782   2HD2  LEU  96          2HD2      LEU  96  -1.478   2.120  -0.669
  783   3HD2  LEU  96          3HD2      LEU  96  -2.575   2.729  -1.908
  784    H    GLN  97           H        GLN  97  -2.675   7.241  -3.364
  785    HA   GLN  97           HA       GLN  97  -4.793   8.799  -2.185
  786   1HB   GLN  97          2HB       GLN  97  -4.080  10.609  -3.586
  787   2HB   GLN  97          1HB       GLN  97  -2.660   9.828  -2.904
  788   1HG   GLN  97          2HG       GLN  97  -3.454   8.636  -5.440
  789   2HG   GLN  97          1HG       GLN  97  -3.137  10.364  -5.605
  790   1HE2  GLN  97          1HE2      GLN  97  -1.705   7.269  -4.950
  791   2HE2  GLN  97          2HE2      GLN  97  -0.098   7.790  -4.839
  792    H    GLN  98           H        GLN  98  -4.997   6.585  -4.567
  793    HA   GLN  98           HA       GLN  98  -7.067   8.020  -6.072
  794   1HB   GLN  98          2HB       GLN  98  -5.145   6.640  -7.152
  795   2HB   GLN  98          1HB       GLN  98  -6.096   5.235  -6.670
  796   1HG   GLN  98          2HG       GLN  98  -8.049   6.714  -7.797
  797   2HG   GLN  98          1HG       GLN  98  -6.674   7.294  -8.737
  798   1HE2  GLN  98          1HE2      GLN  98  -7.723   4.071  -7.465
  799   2HE2  GLN  98          2HE2      GLN  98  -7.476   3.255  -8.933
  800    H    LEU  99           H        LEU  99  -6.580   5.374  -3.799
  801    HA   LEU  99           HA       LEU  99  -9.324   4.444  -4.133
  802   1HB   LEU  99          2HB       LEU  99  -7.711   3.551  -1.816
  803   2HB   LEU  99          1HB       LEU  99  -8.720   2.607  -2.896
  804    HG   LEU  99           HG       LEU  99  -6.651   3.528  -4.529
  805   1HD1  LEU  99          1HD1      LEU  99  -5.659   2.674  -1.808
  806   2HD1  LEU  99          2HD1      LEU  99  -5.460   4.267  -2.525
  807   3HD1  LEU  99          3HD1      LEU  99  -4.640   2.871  -3.229
  808   1HD2  LEU  99          1HD2      LEU  99  -7.681   1.044  -3.467
  809   2HD2  LEU  99          2HD2      LEU  99  -5.919   0.990  -3.541
  810   3HD2  LEU  99          3HD2      LEU  99  -6.854   1.331  -4.999
  811    H    LEU 100           H        LEU 100  -7.427   6.416  -1.949
  812    HA   LEU 100           HA       LEU 100  -8.867   6.571   0.330
  813   1HB   LEU 100          2HB       LEU 100  -7.022   8.243  -0.948
  814   2HB   LEU 100          1HB       LEU 100  -8.423   9.273  -0.647
  815    HG   LEU 100           HG       LEU 100  -6.916   7.618   1.393
  816   1HD1  LEU 100          1HD1      LEU 100  -7.316  10.590   0.955
  817   2HD1  LEU 100          2HD1      LEU 100  -5.795   9.698   0.903
  818   3HD1  LEU 100          3HD1      LEU 100  -6.642   9.908   2.436
  819   1HD2  LEU 100          1HD2      LEU 100  -8.555   8.692   3.001
  820   2HD2  LEU 100          2HD2      LEU 100  -9.261   7.475   1.938
  821   3HD2  LEU 100          3HD2      LEU 100  -9.500   9.189   1.597
  822    HA   PRO 101           HA       PRO 101 -12.048   9.352  -2.041
  823   1HB   PRO 101          2HB       PRO 101 -11.698   8.085  -4.704
  824   2HB   PRO 101          1HB       PRO 101 -12.001   9.785  -4.311
  825   1HG   PRO 101          2HG       PRO 101  -9.566   8.800  -5.112
  826   2HG   PRO 101          1HG       PRO 101  -9.751  10.243  -4.098
  827   1HD   PRO 101          2HD       PRO 101  -8.730   7.603  -3.370
  828   2HD   PRO 101          1HD       PRO 101  -8.628   9.126  -2.468
  829    H    LYS 102           H        LYS 102 -11.421   6.042  -3.125
  830    HA   LYS 102           HA       LYS 102 -13.940   5.098  -3.711
  831   1HB   LYS 102          2HB       LYS 102 -11.899   3.776  -3.951
  832   2HB   LYS 102          1HB       LYS 102 -11.695   3.759  -2.198
  833   1HG   LYS 102          2HG       LYS 102 -13.449   2.289  -1.858
  834   2HG   LYS 102          1HG       LYS 102 -14.243   2.711  -3.379
  835   1HD   LYS 102          2HD       LYS 102 -11.824   1.733  -4.249
  836   2HD   LYS 102          1HD       LYS 102 -12.140   0.717  -2.842
  837   1HE   LYS 102          2HE       LYS 102 -13.775   1.029  -5.350
  838   2HE   LYS 102          1HE       LYS 102 -13.233  -0.450  -4.558
  839   1HZ   LYS 102          1HZ       LYS 102 -14.733   0.680  -2.701
  840   2HZ   LYS 102          2HZ       LYS 102 -15.274  -0.420  -3.730
  841   3HZ   LYS 102          3HZ       LYS 102 -15.525   1.134  -4.016
  842    H    PHE 103           H        PHE 103 -12.389   5.058  -0.513
  843    HA   PHE 103           HA       PHE 103 -15.027   4.510   0.684
  844   1HB   PHE 103          2HB       PHE 103 -13.298   3.987   2.704
  845   2HB   PHE 103          1HB       PHE 103 -13.689   2.779   1.474
  846    HD1  PHE 103           HD1      PHE 103 -12.190   2.368  -0.416
  847    HD2  PHE 103           HD2      PHE 103 -11.193   5.174   2.669
  848    HE1  PHE 103           HE1      PHE 103  -9.886   2.505  -1.297
  849    HE2  PHE 103           HE2      PHE 103  -8.873   5.299   1.808
  850    HZ   PHE 103           HZ       PHE 103  -8.223   3.980  -0.181
  851    H    LYS 104           H        LYS 104 -12.994   7.050   0.101
  852    HA   LYS 104           HA       LYS 104 -14.242   8.611   2.208
  853   1HB   LYS 104          2HB       LYS 104 -11.772   7.500   2.770
  854   2HB   LYS 104          1HB       LYS 104 -11.359   9.108   2.175
  855   1HG   LYS 104          2HG       LYS 104 -11.721   9.225   4.583
  856   2HG   LYS 104          1HG       LYS 104 -13.029  10.078   3.761
  857   1HD   LYS 104          2HD       LYS 104 -14.392   7.962   3.906
  858   2HD   LYS 104          1HD       LYS 104 -13.123   7.281   4.907
  859   1HE   LYS 104          2HE       LYS 104 -13.676   8.551   6.720
  860   2HE   LYS 104          1HE       LYS 104 -14.077   9.957   5.734
  861   1HZ   LYS 104          1HZ       LYS 104 -16.075   8.685   5.078
  862   2HZ   LYS 104          2HZ       LYS 104 -16.060   9.139   6.612
  863   3HZ   LYS 104          3HZ       LYS 104 -15.740   7.620   6.226
  864    H    ARG 105           H        ARG 105 -15.078  10.122   0.831
  865    HA   ARG 105           HA       ARG 105 -13.199  11.344  -1.101
  866   1HB   ARG 105          2HB       ARG 105 -15.450  10.107  -1.797
  867   2HB   ARG 105          1HB       ARG 105 -16.163  11.656  -1.344
  868   1HG   ARG 105          2HG       ARG 105 -14.249  12.671  -2.816
  869   2HG   ARG 105          1HG       ARG 105 -14.179  11.055  -3.521
  870   1HD   ARG 105          2HD       ARG 105 -16.910  12.118  -3.231
  871   2HD   ARG 105          1HD       ARG 105 -15.895  13.039  -4.341
  872    HE   ARG 105           HE       ARG 105 -15.457  10.447  -5.073
  873   1HH1  ARG 105          1HH2      ARG 105 -18.223  12.448  -4.535
  874   2HH1  ARG 105          2HH2      ARG 105 -19.194  11.643  -5.721
  875   1HH2  ARG 105          1HH1      ARG 105 -16.716   9.393  -6.621
  876   2HH2  ARG 105          2HH1      ARG 105 -18.343   9.917  -6.900
  877    H    LYS 106           H        LYS 106 -13.002  13.593  -1.052
  878    HA   LYS 106           HA       LYS 106 -13.759  14.892   1.385
  879   1HB   LYS 106          2HB       LYS 106 -12.652  16.820   0.477
  880   2HB   LYS 106          1HB       LYS 106 -11.709  15.414  -0.017
  881   1HG   LYS 106          2HG       LYS 106 -12.849  15.416  -2.207
  882   2HG   LYS 106          1HG       LYS 106 -13.785  16.828  -1.716
  883   1HD   LYS 106          2HD       LYS 106 -11.944  18.249  -1.795
  884   2HD   LYS 106          1HD       LYS 106 -10.793  16.936  -1.541
  885   1HE   LYS 106          2HE       LYS 106 -10.715  16.396  -3.760
  886   2HE   LYS 106          1HE       LYS 106 -12.424  16.752  -4.010
  887   1HZ   LYS 106          1HZ       LYS 106 -10.190  18.594  -3.989
  888   2HZ   LYS 106          2HZ       LYS 106 -11.664  19.129  -3.670
  889   3HZ   LYS 106          3HZ       LYS 106 -11.351  18.444  -5.081
  890    H    ALA 107           H        ALA 107 -14.605  17.412   0.586
  891    HA   ALA 107           HA       ALA 107 -17.287  16.776  -0.483
  892   1HB   ALA 107          1HB       ALA 107 -18.163  18.203   1.055
  893   2HB   ALA 107          2HB       ALA 107 -16.867  19.379   0.837
  894   3HB   ALA 107          3HB       ALA 107 -16.624  17.984   1.888
  895    H    ASN 108           H        ASN 108 -18.265  18.533  -1.827
  896    HA   ASN 108           HA       ASN 108 -16.400  20.421  -3.024
  897   1HB   ASN 108          2HB       ASN 108 -17.615  18.116  -4.568
  898   2HB   ASN 108          1HB       ASN 108 -16.929  19.548  -5.336
  899   1HD2  ASN 108          1HD2      ASN 108 -16.092  16.460  -4.726
  900   2HD2  ASN 108          2HD2      ASN 108 -14.429  16.635  -4.434
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -22.171 -10.127 -15.289
    2   2H    MET   1          2H        MET   1 -20.678  -9.642 -15.596
    3   3H    MET   1          3H        MET   1 -21.409  -9.176 -14.252
    4    HA   MET   1           HA       MET   1 -21.589 -11.711 -13.825
    5   1HB   MET   1          2HB       MET   1 -19.963 -11.492 -16.138
    6   2HB   MET   1          1HB       MET   1 -18.893 -11.948 -14.811
    7   1HG   MET   1          2HG       MET   1 -19.634 -14.049 -15.387
    8   2HG   MET   1          1HG       MET   1 -20.928 -13.610 -14.271
    9   1HE   MET   1          1HE       MET   1 -20.557 -14.215 -18.561
   10   2HE   MET   1          2HE       MET   1 -19.486 -13.262 -17.537
   11   3HE   MET   1          3HE       MET   1 -20.726 -12.456 -18.494
   12    H    ALA   2           H        ALA   2 -20.431 -12.245 -11.925
   13    HA   ALA   2           HA       ALA   2 -18.436 -10.243 -11.055
   14   1HB   ALA   2          1HB       ALA   2 -19.440 -10.086  -8.901
   15   2HB   ALA   2          2HB       ALA   2 -20.506 -11.456  -9.216
   16   3HB   ALA   2          3HB       ALA   2 -20.770  -9.923 -10.048
   17    H    THR   3           H        THR   3 -16.666 -11.139 -10.028
   18    HA   THR   3           HA       THR   3 -16.417 -14.020 -10.138
   19    HB   THR   3           HB       THR   3 -14.504 -12.610 -10.723
   20    HG1  THR   3           HG1      THR   3 -14.301 -14.657  -9.475
   21   1HG2  THR   3          1HG2      THR   3 -14.146 -10.711  -9.580
   22   2HG2  THR   3          2HG2      THR   3 -13.667 -11.671  -8.180
   23   3HG2  THR   3          3HG2      THR   3 -15.349 -11.181  -8.379
   24    H    SER   4           H        SER   4 -16.263 -15.403  -8.345
   25    HA   SER   4           HA       SER   4 -17.611 -14.483  -5.966
   26   1HB   SER   4          2HB       SER   4 -17.326 -16.924  -7.213
   27   2HB   SER   4          1HB       SER   4 -16.244 -17.081  -5.832
   28    HG   SER   4           HG       SER   4 -18.772 -15.943  -5.446
   29    H    SER   5           H        SER   5 -14.323 -14.763  -7.015
   30    HA   SER   5           HA       SER   5 -13.339 -14.705  -4.252
   31   1HB   SER   5          2HB       SER   5 -11.176 -14.379  -5.978
   32   2HB   SER   5          1HB       SER   5 -11.694 -15.889  -5.233
   33    HG   SER   5           HG       SER   5 -12.402 -16.528  -7.104
   34    H    GLU   6           H        GLU   6 -11.747 -12.996  -3.682
   35    HA   GLU   6           HA       GLU   6 -12.790 -10.423  -4.176
   36   1HB   GLU   6          2HB       GLU   6 -10.043 -11.173  -3.173
   37   2HB   GLU   6          1HB       GLU   6 -10.792  -9.591  -3.035
   38   1HG   GLU   6          2HG       GLU   6 -11.561 -12.150  -1.645
   39   2HG   GLU   6          1HG       GLU   6 -11.213 -10.570  -0.945
   40    H    GLU   7           H        GLU   7 -11.541  -8.633  -5.103
   41    HA   GLU   7           HA       GLU   7 -10.023  -9.508  -7.498
   42   1HB   GLU   7          2HB       GLU   7 -11.707  -7.000  -7.277
   43   2HB   GLU   7          1HB       GLU   7 -10.990  -7.690  -8.734
   44   1HG   GLU   7          2HG       GLU   7 -12.468  -9.803  -7.827
   45   2HG   GLU   7          1HG       GLU   7 -13.471  -8.444  -7.319
   46    H    VAL   8           H        VAL   8  -7.855  -8.947  -7.115
   47    HA   VAL   8           HA       VAL   8  -7.387  -6.653  -5.376
   48    HB   VAL   8           HB       VAL   8  -5.248  -7.566  -5.009
   49   1HG1  VAL   8          1HG1      VAL   8  -6.107 -10.257  -5.401
   50   2HG1  VAL   8          2HG1      VAL   8  -7.520  -9.306  -4.946
   51   3HG1  VAL   8          3HG1      VAL   8  -6.099  -9.327  -3.903
   52   1HG2  VAL   8          1HG2      VAL   8  -4.166  -8.005  -6.979
   53   2HG2  VAL   8          2HG2      VAL   8  -5.623  -8.624  -7.758
   54   3HG2  VAL   8          3HG2      VAL   8  -4.703  -9.655  -6.661
   55    H    LEU   9           H        LEU   9  -5.887  -5.043  -5.970
   56    HA   LEU   9           HA       LEU   9  -6.003  -4.453  -8.846
   57   1HB   LEU   9          2HB       LEU   9  -6.866  -2.743  -7.351
   58   2HB   LEU   9          1HB       LEU   9  -5.337  -2.697  -6.475
   59    HG   LEU   9           HG       LEU   9  -4.209  -2.066  -8.642
   60   1HD1  LEU   9          1HD1      LEU   9  -5.513  -2.548 -10.453
   61   2HD1  LEU   9          2HD1      LEU   9  -6.182  -0.945 -10.151
   62   3HD1  LEU   9          3HD1      LEU   9  -7.013  -2.376  -9.543
   63   1HD2  LEU   9          1HD2      LEU   9  -4.965  -0.423  -6.861
   64   2HD2  LEU   9          2HD2      LEU   9  -6.416  -0.154  -7.828
   65   3HD2  LEU   9          3HD2      LEU   9  -4.830   0.257  -8.483
   66    H    LEU  10           H        LEU  10  -3.427  -4.424  -6.232
   67    HA   LEU  10           HA       LEU  10  -1.572  -5.224  -8.325
   68   1HB   LEU  10          2HB       LEU  10  -1.498  -2.894  -8.793
   69   2HB   LEU  10          1HB       LEU  10  -1.456  -2.474  -7.082
   70    HG   LEU  10           HG       LEU  10   0.755  -3.695  -6.935
   71   1HD1  LEU  10          1HD1      LEU  10   0.268  -4.987  -9.098
   72   2HD1  LEU  10          2HD1      LEU  10   1.898  -4.335  -8.926
   73   3HD1  LEU  10          3HD1      LEU  10   0.723  -3.513  -9.953
   74   1HD2  LEU  10          1HD2      LEU  10   2.025  -1.850  -7.867
   75   2HD2  LEU  10          2HD2      LEU  10   0.524  -1.201  -7.208
   76   3HD2  LEU  10          3HD2      LEU  10   0.697  -1.426  -8.948
   77    H    ILE  11           H        ILE  11   0.272  -6.197  -7.452
   78    HA   ILE  11           HA       ILE  11   0.453  -6.127  -4.503
   79    HB   ILE  11           HB       ILE  11  -0.484  -8.242  -5.020
   80   1HG1  ILE  11          2HG1      ILE  11   2.461  -8.218  -4.509
   81   2HG1  ILE  11          1HG1      ILE  11   1.170  -8.934  -3.566
   82   1HG2  ILE  11          1HG2      ILE  11   1.517  -8.396  -7.295
   83   2HG2  ILE  11          2HG2      ILE  11  -0.206  -8.060  -7.459
   84   3HG2  ILE  11          3HG2      ILE  11   0.333  -9.638  -6.886
   85   1HD1  ILE  11          1HD1      ILE  11   2.581 -10.054  -5.981
   86   2HD1  ILE  11          2HD1      ILE  11   0.984 -10.641  -5.517
   87   3HD1  ILE  11          3HD1      ILE  11   2.340 -10.798  -4.400
   88    H    VAL  12           H        VAL  12   2.481  -5.853  -3.725
   89    HA   VAL  12           HA       VAL  12   4.698  -5.974  -5.673
   90    HB   VAL  12           HB       VAL  12   5.789  -4.295  -3.953
   91   1HG1  VAL  12          1HG1      VAL  12   5.093  -4.030  -6.432
   92   2HG1  VAL  12          2HG1      VAL  12   5.295  -2.565  -5.471
   93   3HG1  VAL  12          3HG1      VAL  12   3.679  -3.190  -5.797
   94   1HG2  VAL  12          1HG2      VAL  12   2.995  -4.343  -3.120
   95   2HG2  VAL  12          2HG2      VAL  12   3.496  -2.737  -3.621
   96   3HG2  VAL  12          3HG2      VAL  12   4.376  -3.578  -2.354
   97    H    LYS  13           H        LYS  13   5.484  -7.906  -5.238
   98    HA   LYS  13           HA       LYS  13   5.570  -9.292  -2.824
   99   1HB   LYS  13          2HB       LYS  13   6.807 -10.841  -3.999
  100   2HB   LYS  13          1HB       LYS  13   6.113  -9.925  -5.327
  101   1HG   LYS  13          2HG       LYS  13   8.846  -9.381  -4.145
  102   2HG   LYS  13          1HG       LYS  13   8.567 -10.338  -5.598
  103   1HD   LYS  13          2HD       LYS  13   7.124  -8.109  -6.194
  104   2HD   LYS  13          1HD       LYS  13   8.411  -7.408  -5.213
  105   1HE   LYS  13          2HE       LYS  13   9.187  -7.407  -7.492
  106   2HE   LYS  13          1HE       LYS  13  10.066  -8.681  -6.647
  107   1HZ   LYS  13          1HZ       LYS  13   9.313  -9.690  -8.540
  108   2HZ   LYS  13          2HZ       LYS  13   7.892  -8.954  -8.541
  109   3HZ   LYS  13          3HZ       LYS  13   8.186 -10.125  -7.490
  110    H    LYS  14           H        LYS  14   7.381  -6.651  -3.826
  111    HA   LYS  14           HA       LYS  14   9.303  -7.144  -1.625
  112   1HB   LYS  14          2HB       LYS  14   9.791  -6.489  -4.352
  113   2HB   LYS  14          1HB       LYS  14  10.243  -5.089  -3.379
  114   1HG   LYS  14          2HG       LYS  14  12.126  -6.696  -3.641
  115   2HG   LYS  14          1HG       LYS  14  11.650  -6.496  -1.954
  116   1HD   LYS  14          2HD       LYS  14  10.493  -8.575  -1.922
  117   2HD   LYS  14          1HD       LYS  14  10.523  -8.704  -3.681
  118   1HE   LYS  14          2HE       LYS  14  12.845  -9.177  -3.721
  119   2HE   LYS  14          1HE       LYS  14  13.071  -8.615  -2.065
  120   1HZ   LYS  14          1HZ       LYS  14  13.019 -10.939  -2.030
  121   2HZ   LYS  14          2HZ       LYS  14  11.696 -11.033  -2.924
  122   3HZ   LYS  14          3HZ       LYS  14  11.611 -10.476  -1.426
  123    H    VAL  15           H        VAL  15   9.009  -5.829   0.073
  124    HA   VAL  15           HA       VAL  15   8.573  -3.040  -0.463
  125    HB   VAL  15           HB       VAL  15   6.342  -4.580   0.837
  126   1HG1  VAL  15          1HG1      VAL  15   6.687  -1.579   0.934
  127   2HG1  VAL  15          2HG1      VAL  15   7.157  -2.615   2.285
  128   3HG1  VAL  15          3HG1      VAL  15   5.477  -2.562   1.754
  129   1HG2  VAL  15          1HG2      VAL  15   5.785  -4.237  -1.359
  130   2HG2  VAL  15          2HG2      VAL  15   6.854  -2.847  -1.510
  131   3HG2  VAL  15          3HG2      VAL  15   5.290  -2.667  -0.725
  132    H    ARG  16           H        ARG  16   9.115  -1.731   1.236
  133    HA   ARG  16           HA       ARG  16  10.421  -3.125   3.501
  134   1HB   ARG  16          2HB       ARG  16  12.073  -2.229   1.899
  135   2HB   ARG  16          1HB       ARG  16  11.287  -0.664   1.937
  136   1HG   ARG  16          2HG       ARG  16  13.013  -0.347   3.465
  137   2HG   ARG  16          1HG       ARG  16  11.676  -0.812   4.515
  138   1HD   ARG  16          2HD       ARG  16  13.789  -2.018   5.054
  139   2HD   ARG  16          1HD       ARG  16  12.484  -3.112   4.589
  140    HE   ARG  16           HE       ARG  16  13.746  -2.706   2.235
  141   1HH1  ARG  16          1HH2      ARG  16  14.798  -3.491   5.437
  142   2HH1  ARG  16          2HH2      ARG  16  16.137  -4.443   4.895
  143   1HH2  ARG  16          1HH1      ARG  16  15.487  -3.949   1.530
  144   2HH2  ARG  16          2HH1      ARG  16  16.525  -4.704   2.692
  145    H    GLN  17           H        GLN  17   9.886  -2.331   5.423
  146    HA   GLN  17           HA       GLN  17   8.673   0.326   5.539
  147   1HB   GLN  17          2HB       GLN  17   6.865  -0.711   7.037
  148   2HB   GLN  17          1HB       GLN  17   6.748  -1.085   5.329
  149   1HG   GLN  17          2HG       GLN  17   7.781  -3.220   5.618
  150   2HG   GLN  17          1HG       GLN  17   8.106  -2.875   7.307
  151   1HE2  GLN  17          1HE2      GLN  17   6.794  -4.880   7.724
  152   2HE2  GLN  17          2HE2      GLN  17   5.101  -4.760   7.749
  153    H    LYS  18           H        LYS  18   9.437   1.371   7.308
  154    HA   LYS  18           HA       LYS  18  11.684   0.826   8.575
  155   1HB   LYS  18          2HB       LYS  18   9.235   2.210   9.561
  156   2HB   LYS  18          1HB       LYS  18  10.539   1.920  10.714
  157   1HG   LYS  18          2HG       LYS  18  11.978   2.836   8.610
  158   2HG   LYS  18          1HG       LYS  18  10.469   3.712   8.350
  159   1HD   LYS  18          2HD       LYS  18  10.548   4.512  10.699
  160   2HD   LYS  18          1HD       LYS  18  12.091   3.683  10.912
  161   1HE   LYS  18          2HE       LYS  18  12.137   6.208  10.301
  162   2HE   LYS  18          1HE       LYS  18  13.211   5.120   9.422
  163   1HZ   LYS  18          1HZ       LYS  18  11.802   5.155   7.617
  164   2HZ   LYS  18          2HZ       LYS  18  11.804   6.685   8.085
  165   3HZ   LYS  18          3HZ       LYS  18  10.556   5.745   8.431
  166    H    LYS  19           H        LYS  19   8.735  -0.947   9.281
  167    HA   LYS  19           HA       LYS  19   9.843  -2.051  11.708
  168   1HB   LYS  19          2HB       LYS  19   7.851  -3.534  11.637
  169   2HB   LYS  19          1HB       LYS  19   7.412  -1.838  11.493
  170   1HG   LYS  19          2HG       LYS  19   7.424  -2.231   8.927
  171   2HG   LYS  19          1HG       LYS  19   7.441  -3.955   9.309
  172   1HD   LYS  19          2HD       LYS  19   5.135  -3.042   8.960
  173   2HD   LYS  19          1HD       LYS  19   5.373  -3.756  10.554
  174   1HE   LYS  19          2HE       LYS  19   6.096  -0.932  10.524
  175   2HE   LYS  19          1HE       LYS  19   4.422  -1.185  10.031
  176   1HZ   LYS  19          1HZ       LYS  19   4.297  -1.128  12.291
  177   2HZ   LYS  19          2HZ       LYS  19   5.684  -1.888  12.535
  178   3HZ   LYS  19          3HZ       LYS  19   4.399  -2.707  12.050
  179    H    GLN  20           H        GLN  20   9.037  -3.394   8.526
  180    HA   GLN  20           HA       GLN  20  11.284  -5.232   8.644
  181   1HB   GLN  20          2HB       GLN  20   8.901  -6.083   9.622
  182   2HB   GLN  20          1HB       GLN  20   8.703  -6.450   7.909
  183   1HG   GLN  20          2HG       GLN  20  11.346  -7.202   8.720
  184   2HG   GLN  20          1HG       GLN  20  10.172  -7.929   9.821
  185   1HE2  GLN  20          1HE2      GLN  20  11.782  -8.609   7.017
  186   2HE2  GLN  20          2HE2      GLN  20  10.642  -9.615   6.262
  187    H    ASP  21           H        ASP  21  11.367  -6.499   6.512
  188    HA   ASP  21           HA       ASP  21  10.324  -4.759   4.350
  189   1HB   ASP  21          2HB       ASP  21  12.248  -6.925   3.683
  190   2HB   ASP  21          1HB       ASP  21  12.213  -5.258   3.094
  191    H    GLY  22           H        GLY  22   8.773  -5.745   3.158
  192   1HA   GLY  22          2HA       GLY  22   8.402  -8.601   3.185
  193   2HA   GLY  22          1HA       GLY  22   7.233  -7.737   4.152
  194    H    ALA  23           H        ALA  23   6.462  -9.197   1.879
  195    HA   ALA  23           HA       ALA  23   6.191  -7.380  -0.296
  196   1HB   ALA  23          1HB       ALA  23   6.346  -9.731  -0.775
  197   2HB   ALA  23          2HB       ALA  23   4.710  -9.224  -1.194
  198   3HB   ALA  23          3HB       ALA  23   5.006 -10.092   0.310
  199    H    LEU  24           H        LEU  24   4.704  -6.162  -0.743
  200    HA   LEU  24           HA       LEU  24   2.337  -5.860   1.026
  201   1HB   LEU  24          2HB       LEU  24   4.153  -4.047  -0.282
  202   2HB   LEU  24          1HB       LEU  24   2.507  -3.656  -0.734
  203    HG   LEU  24           HG       LEU  24   3.714  -3.785   2.027
  204   1HD1  LEU  24          1HD1      LEU  24   2.890  -1.739   0.097
  205   2HD1  LEU  24          2HD1      LEU  24   3.917  -1.581   1.518
  206   3HD1  LEU  24          3HD1      LEU  24   2.163  -1.498   1.683
  207   1HD2  LEU  24          1HD2      LEU  24   1.668  -4.757   2.523
  208   2HD2  LEU  24          2HD2      LEU  24   0.868  -4.034   1.127
  209   3HD2  LEU  24          3HD2      LEU  24   1.205  -3.056   2.556
  210    H    TYR  25           H        TYR  25   0.308  -6.099   0.269
  211    HA   TYR  25           HA       TYR  25  -0.081  -6.590  -2.633
  212   1HB   TYR  25          2HB       TYR  25  -1.136  -7.849  -0.134
  213   2HB   TYR  25          1HB       TYR  25  -2.246  -7.700  -1.490
  214    HD1  TYR  25           HD1      TYR  25   0.783  -9.321  -0.220
  215    HD2  TYR  25           HD2      TYR  25  -1.829  -8.878  -3.597
  216    HE1  TYR  25           HE1      TYR  25   1.766 -11.356  -1.241
  217    HE2  TYR  25           HE2      TYR  25  -0.845 -10.914  -4.624
  218    HH   TYR  25           HH       TYR  25   0.961 -12.336  -4.517
  219    H    LEU  26           H        LEU  26  -1.696  -5.195  -3.628
  220    HA   LEU  26           HA       LEU  26  -3.135  -3.492  -1.707
  221   1HB   LEU  26          2HB       LEU  26  -1.532  -2.592  -3.641
  222   2HB   LEU  26          1HB       LEU  26  -2.949  -2.904  -4.643
  223    HG   LEU  26           HG       LEU  26  -2.882  -1.170  -2.156
  224   1HD1  LEU  26          1HD1      LEU  26  -3.110   0.692  -3.625
  225   2HD1  LEU  26          2HD1      LEU  26  -3.445  -0.348  -5.009
  226   3HD1  LEU  26          3HD1      LEU  26  -1.823  -0.295  -4.318
  227   1HD2  LEU  26          1HD2      LEU  26  -5.233  -0.634  -3.431
  228   2HD2  LEU  26          2HD2      LEU  26  -5.082  -1.777  -2.100
  229   3HD2  LEU  26          3HD2      LEU  26  -5.066  -2.355  -3.766
  230    H    MET  27           H        MET  27  -5.324  -3.764  -1.675
  231    HA   MET  27           HA       MET  27  -6.509  -5.463  -3.788
  232   1HB   MET  27          2HB       MET  27  -6.592  -6.658  -1.699
  233   2HB   MET  27          1HB       MET  27  -7.136  -5.222  -0.839
  234   1HG   MET  27          2HG       MET  27  -9.305  -5.438  -1.556
  235   2HG   MET  27          1HG       MET  27  -8.824  -6.100  -3.121
  236   1HE   MET  27          1HE       MET  27  -7.269  -8.096  -3.120
  237   2HE   MET  27          2HE       MET  27  -8.774  -8.890  -3.578
  238   3HE   MET  27          3HE       MET  27  -7.721  -9.637  -2.379
  239    H    ALA  28           H        ALA  28  -8.648  -4.835  -4.433
  240    HA   ALA  28           HA       ALA  28  -9.101  -2.275  -5.094
  241   1HB   ALA  28          1HB       ALA  28 -10.935  -3.276  -5.917
  242   2HB   ALA  28          2HB       ALA  28 -11.649  -3.227  -4.305
  243   3HB   ALA  28          3HB       ALA  28 -10.721  -4.639  -4.816
  244    H    GLU  29           H        GLU  29 -10.462  -3.621  -1.983
  245    HA   GLU  29           HA       GLU  29 -10.816  -0.821  -1.198
  246   1HB   GLU  29          2HB       GLU  29 -12.779  -2.252  -1.146
  247   2HB   GLU  29          1HB       GLU  29 -11.913  -3.428  -0.155
  248   1HG   GLU  29          2HG       GLU  29 -12.349  -2.279   1.741
  249   2HG   GLU  29          1HG       GLU  29 -11.832  -0.755   1.021
  250    H    ARG  30           H        ARG  30  -8.285  -2.952  -0.753
  251    HA   ARG  30           HA       ARG  30  -7.680  -1.593   1.737
  252   1HB   ARG  30          2HB       ARG  30  -7.737  -3.358   3.224
  253   2HB   ARG  30          1HB       ARG  30  -9.170  -3.649   2.262
  254   1HG   ARG  30          2HG       ARG  30  -7.040  -4.952   0.942
  255   2HG   ARG  30          1HG       ARG  30  -6.863  -5.318   2.657
  256   1HD   ARG  30          2HD       ARG  30  -8.358  -6.956   1.551
  257   2HD   ARG  30          1HD       ARG  30  -9.218  -6.019   2.766
  258    HE   ARG  30           HE       ARG  30  -9.464  -4.656   0.330
  259   1HH1  ARG  30          1HH2      ARG  30 -10.265  -7.712   1.732
  260   2HH1  ARG  30          2HH2      ARG  30 -11.652  -7.955   0.724
  261   1HH2  ARG  30          1HH1      ARG  30 -11.272  -4.969  -0.989
  262   2HH2  ARG  30          2HH1      ARG  30 -12.221  -6.406  -0.812
  263    H    ILE  31           H        ILE  31  -5.613  -2.214   2.673
  264    HA   ILE  31           HA       ILE  31  -3.698  -2.986   0.543
  265    HB   ILE  31           HB       ILE  31  -3.705  -0.908   2.673
  266   1HG1  ILE  31          2HG1      ILE  31  -3.761  -0.584   0.143
  267   2HG1  ILE  31          1HG1      ILE  31  -2.529   0.339   1.004
  268   1HG2  ILE  31          1HG2      ILE  31  -1.121  -2.313   1.910
  269   2HG2  ILE  31          2HG2      ILE  31  -1.925  -2.490   3.470
  270   3HG2  ILE  31          3HG2      ILE  31  -1.288  -0.921   2.980
  271   1HD1  ILE  31          1HD1      ILE  31  -1.519  -0.687  -0.963
  272   2HD1  ILE  31          2HD1      ILE  31  -2.112  -2.275  -0.474
  273   3HD1  ILE  31          3HD1      ILE  31  -0.876  -1.461   0.485
  274    H    ALA  32           H        ALA  32  -2.724  -4.946   0.861
  275    HA   ALA  32           HA       ALA  32  -2.808  -6.078   3.593
  276   1HB   ALA  32          1HB       ALA  32  -2.207  -7.950   1.456
  277   2HB   ALA  32          2HB       ALA  32  -3.737  -7.115   1.188
  278   3HB   ALA  32          3HB       ALA  32  -3.474  -8.017   2.681
  279    H    TRP  33           H        TRP  33  -1.079  -7.406   4.245
  280    HA   TRP  33           HA       TRP  33   1.487  -6.861   2.879
  281   1HB   TRP  33          2HB       TRP  33   1.169  -5.326   4.860
  282   2HB   TRP  33          1HB       TRP  33   1.157  -6.756   5.878
  283    HD1  TRP  33           HD1      TRP  33   3.372  -5.911   2.860
  284    HE1  TRP  33           HE1      TRP  33   5.812  -6.041   3.646
  285    HE3  TRP  33           HE3      TRP  33   2.794  -7.133   7.795
  286    HZ2  TRP  33           HZ2      TRP  33   7.343  -6.592   5.870
  287    HZ3  TRP  33           HZ3      TRP  33   4.787  -7.523   9.200
  288    HH2  TRP  33           HH2      TRP  33   7.065  -7.276   8.246
  289    H    ALA  34           H        ALA  34   2.888  -8.592   2.928
  290    HA   ALA  34           HA       ALA  34   2.357 -10.794   4.717
  291   1HB   ALA  34          1HB       ALA  34   1.217 -10.826   2.151
  292   2HB   ALA  34          2HB       ALA  34   1.289 -12.136   3.331
  293   3HB   ALA  34          3HB       ALA  34   2.564 -11.966   2.123
  294    HA   PRO  35           HA       PRO  35   6.606 -11.383   3.643
  295   1HB   PRO  35          2HB       PRO  35   6.938 -13.592   5.422
  296   2HB   PRO  35          1HB       PRO  35   7.263 -11.887   5.762
  297   1HG   PRO  35          2HG       PRO  35   5.102 -13.524   6.766
  298   2HG   PRO  35          1HG       PRO  35   5.478 -11.842   7.163
  299   1HD   PRO  35          2HD       PRO  35   3.321 -12.821   5.538
  300   2HD   PRO  35          1HD       PRO  35   3.722 -11.136   5.916
  301    H    GLU  36           H        GLU  36   7.920 -13.980   3.881
  302    HA   GLU  36           HA       GLU  36   6.689 -15.294   1.536
  303   1HB   GLU  36          2HB       GLU  36   9.046 -16.290   1.318
  304   2HB   GLU  36          1HB       GLU  36   8.878 -14.569   0.967
  305   1HG   GLU  36          2HG       GLU  36   9.736 -13.958   3.125
  306   2HG   GLU  36          1HG       GLU  36   9.653 -15.625   3.696
  307    H    GLY  37           H        GLY  37   5.234 -16.509   2.994
  308   1HA   GLY  37          2HA       GLY  37   6.460 -19.002   3.809
  309   2HA   GLY  37          1HA       GLY  37   5.822 -18.050   5.150
  310    H    LYS  38           H        LYS  38   4.465 -20.215   5.139
  311    HA   LYS  38           HA       LYS  38   2.404 -20.454   3.166
  312   1HB   LYS  38          2HB       LYS  38   3.341 -22.147   5.013
  313   2HB   LYS  38          1HB       LYS  38   2.003 -21.474   5.945
  314   1HG   LYS  38          2HG       LYS  38   0.422 -22.461   4.634
  315   2HG   LYS  38          1HG       LYS  38   1.343 -22.193   3.153
  316   1HD   LYS  38          2HD       LYS  38   2.853 -24.028   4.676
  317   2HD   LYS  38          1HD       LYS  38   1.180 -24.579   4.778
  318   1HE   LYS  38          2HE       LYS  38   2.399 -23.771   2.139
  319   2HE   LYS  38          1HE       LYS  38   2.587 -25.407   2.771
  320   1HZ   LYS  38          1HZ       LYS  38  -0.030 -24.173   2.579
  321   2HZ   LYS  38          2HZ       LYS  38   0.328 -25.730   2.675
  322   3HZ   LYS  38          3HZ       LYS  38   0.608 -24.927   1.319
  323    H    ASP  39           H        ASP  39   2.190 -17.891   3.526
  324    HA   ASP  39           HA       ASP  39  -0.388 -17.484   4.633
  325   1HB   ASP  39          2HB       ASP  39   1.598 -17.214   6.531
  326   2HB   ASP  39          1HB       ASP  39   1.509 -15.580   5.873
  327    H    ARG  40           H        ARG  40  -1.224 -15.656   3.233
  328    HA   ARG  40           HA       ARG  40   0.989 -14.342   1.814
  329   1HB   ARG  40          2HB       ARG  40  -1.740 -15.242   0.926
  330   2HB   ARG  40          1HB       ARG  40  -0.875 -13.969   0.079
  331   1HG   ARG  40          2HG       ARG  40  -0.003 -15.724  -1.106
  332   2HG   ARG  40          1HG       ARG  40   1.101 -15.816   0.266
  333   1HD   ARG  40          2HD       ARG  40   0.257 -17.805   0.914
  334   2HD   ARG  40          1HD       ARG  40  -1.397 -17.199   0.825
  335    HE   ARG  40           HE       ARG  40  -0.692 -17.565  -1.792
  336   1HH1  ARG  40          1HH2      ARG  40  -0.651 -19.458   1.100
  337   2HH1  ARG  40          2HH2      ARG  40  -0.910 -20.957   0.274
  338   1HH2  ARG  40          1HH1      ARG  40  -1.030 -19.517  -2.875
  339   2HH2  ARG  40          2HH1      ARG  40  -1.124 -20.992  -1.971
  340    H    PHE  41           H        PHE  41  -1.411 -13.897   4.042
  341    HA   PHE  41           HA       PHE  41  -1.417 -11.018   3.454
  342   1HB   PHE  41          2HB       PHE  41  -3.780 -12.804   3.963
  343   2HB   PHE  41          1HB       PHE  41  -3.850 -11.069   4.301
  344    HD1  PHE  41           HD1      PHE  41  -4.860 -13.227   1.918
  345    HD2  PHE  41           HD2      PHE  41  -2.265  -9.824   2.307
  346    HE1  PHE  41           HE1      PHE  41  -5.104 -12.774  -0.507
  347    HE2  PHE  41           HE2      PHE  41  -2.512  -9.366  -0.128
  348    HZ   PHE  41           HZ       PHE  41  -3.926 -10.849  -1.528
  349    H    THR  42           H        THR  42   0.213 -10.946   5.132
  350    HA   THR  42           HA       THR  42  -0.267 -11.776   7.786
  351    HB   THR  42           HB       THR  42   1.895 -10.799   6.512
  352    HG1  THR  42           HG1      THR  42   2.014 -11.706   8.526
  353   1HG2  THR  42          1HG2      THR  42   1.481  -8.403   8.173
  354   2HG2  THR  42          2HG2      THR  42   0.510  -8.458   6.708
  355   3HG2  THR  42          3HG2      THR  42   2.257  -8.576   6.601
  356    H    ILE  43           H        ILE  43  -1.098  -8.979   5.929
  357    HA   ILE  43           HA       ILE  43  -3.146  -8.278   7.935
  358    HB   ILE  43           HB       ILE  43  -2.453  -5.949   8.125
  359   1HG1  ILE  43          2HG1      ILE  43   0.123  -5.813   7.183
  360   2HG1  ILE  43          1HG1      ILE  43  -0.667  -6.792   5.948
  361   1HG2  ILE  43          1HG2      ILE  43  -0.228  -7.932   8.679
  362   2HG2  ILE  43          2HG2      ILE  43  -1.549  -7.514   9.768
  363   3HG2  ILE  43          3HG2      ILE  43  -0.322  -6.312   9.368
  364   1HD1  ILE  43          1HD1      ILE  43  -2.368  -4.585   6.720
  365   2HD1  ILE  43          2HD1      ILE  43  -1.743  -5.002   5.124
  366   3HD1  ILE  43          3HD1      ILE  43  -0.785  -3.997   6.211
  367    H    SER  44           H        SER  44  -4.424  -6.317   7.209
  368    HA   SER  44           HA       SER  44  -4.510  -5.642   4.445
  369   1HB   SER  44          2HB       SER  44  -5.928  -8.020   5.293
  370   2HB   SER  44          1HB       SER  44  -7.067  -6.786   4.764
  371    HG   SER  44           HG       SER  44  -5.538  -8.349   3.279
  372    H    HIS  45           H        HIS  45  -5.058  -3.502   4.786
  373    HA   HIS  45           HA       HIS  45  -7.056  -2.953   6.904
  374   1HB   HIS  45          2HB       HIS  45  -5.815  -0.591   5.834
  375   2HB   HIS  45          1HB       HIS  45  -5.826  -1.166   7.498
  376    HD1  HIS  45           HD1      HIS  45  -3.601  -1.865   8.393
  377    HD2  HIS  45           HD2      HIS  45  -3.690  -1.953   4.230
  378    HE1  HIS  45           HE1      HIS  45  -1.243  -2.400   7.642
  379    H    MET  46           H        MET  46  -9.034  -2.579   6.110
  380    HA   MET  46           HA       MET  46  -9.548  -2.174   3.364
  381   1HB   MET  46          2HB       MET  46 -11.070  -2.470   5.802
  382   2HB   MET  46          1HB       MET  46 -11.740  -1.175   4.812
  383   1HG   MET  46          2HG       MET  46 -12.727  -2.767   3.557
  384   2HG   MET  46          1HG       MET  46 -11.117  -3.213   2.991
  385   1HE   MET  46          1HE       MET  46 -13.660  -5.782   3.538
  386   2HE   MET  46          2HE       MET  46 -12.110  -6.572   3.255
  387   3HE   MET  46          3HE       MET  46 -12.485  -5.061   2.429
  388    H    TYR  47           H        TYR  47  -9.039  -0.407   2.302
  389    HA   TYR  47           HA       TYR  47  -8.166   2.011   3.135
  390   1HB   TYR  47          2HB       TYR  47  -9.830   1.200   0.762
  391   2HB   TYR  47          1HB       TYR  47  -9.486   2.902   1.022
  392    HD1  TYR  47           HD1      TYR  47  -6.673   1.745   2.490
  393    HD2  TYR  47           HD2      TYR  47  -8.492   1.590  -1.415
  394    HE1  TYR  47           HE1      TYR  47  -4.463   1.472   1.456
  395    HE2  TYR  47           HE2      TYR  47  -6.276   1.329  -2.416
  396    HH   TYR  47           HH       TYR  47  -4.080   1.316  -2.072
  397    H    ALA  48           H        ALA  48 -11.686   1.205   2.875
  398    HA   ALA  48           HA       ALA  48 -12.499   3.794   3.847
  399   1HB   ALA  48          1HB       ALA  48 -14.681   2.571   4.314
  400   2HB   ALA  48          2HB       ALA  48 -13.900   1.111   3.706
  401   3HB   ALA  48          3HB       ALA  48 -14.128   2.498   2.640
  402    H    ASP  49           H        ASP  49 -11.784   0.714   5.216
  403    HA   ASP  49           HA       ASP  49 -12.497   1.216   7.938
  404   1HB   ASP  49          2HB       ASP  49 -10.585  -0.757   6.666
  405   2HB   ASP  49          1HB       ASP  49 -10.970  -0.744   8.387
  406    H    ILE  50           H        ILE  50 -10.200   2.616   6.052
  407    HA   ILE  50           HA       ILE  50  -8.641   3.412   8.423
  408    HB   ILE  50           HB       ILE  50  -6.555   3.248   7.092
  409   1HG1  ILE  50          2HG1      ILE  50  -8.476   2.121   5.048
  410   2HG1  ILE  50          1HG1      ILE  50  -7.367   3.475   4.852
  411   1HG2  ILE  50          1HG2      ILE  50  -7.584   0.519   6.759
  412   2HG2  ILE  50          2HG2      ILE  50  -7.946   1.218   8.337
  413   3HG2  ILE  50          3HG2      ILE  50  -6.275   1.107   7.784
  414   1HD1  ILE  50          1HD1      ILE  50  -5.799   2.053   4.096
  415   2HD1  ILE  50          2HD1      ILE  50  -6.875   0.683   4.379
  416   3HD1  ILE  50          3HD1      ILE  50  -5.807   1.248   5.664
  417    H    LYS  51           H        LYS  51  -8.141   5.768   8.334
  418    HA   LYS  51           HA       LYS  51  -8.495   6.908   5.661
  419   1HB   LYS  51          2HB       LYS  51 -10.693   6.987   7.019
  420   2HB   LYS  51          1HB       LYS  51  -9.882   8.252   7.949
  421   1HG   LYS  51          2HG       LYS  51 -10.047   8.253   4.933
  422   2HG   LYS  51          1HG       LYS  51 -11.185   9.127   5.963
  423   1HD   LYS  51          2HD       LYS  51  -9.022  10.144   7.034
  424   2HD   LYS  51          1HD       LYS  51  -8.235   9.606   5.548
  425   1HE   LYS  51          2HE       LYS  51  -9.025  11.433   4.497
  426   2HE   LYS  51          1HE       LYS  51 -10.672  10.879   4.799
  427   1HZ   LYS  51          1HZ       LYS  51  -9.707  13.092   5.797
  428   2HZ   LYS  51          2HZ       LYS  51  -9.334  12.107   7.002
  429   3HZ   LYS  51          3HZ       LYS  51 -10.856  12.251   6.528
  430    H    CYS  52           H        CYS  52  -6.567   7.685   5.457
  431    HA   CYS  52           HA       CYS  52  -5.838  10.135   6.427
  432   1HB   CYS  52          2HB       CYS  52  -5.104   7.928   8.170
  433   2HB   CYS  52          1HB       CYS  52  -3.742   8.946   7.720
  434    HG   CYS  52           HG       CYS  52  -6.100  10.646   8.578
  435    H    GLN  53           H        GLN  53  -4.448  10.778   4.844
  436    HA   GLN  53           HA       GLN  53  -2.601   8.718   3.818
  437   1HB   GLN  53          2HB       GLN  53  -4.810  10.053   2.346
  438   2HB   GLN  53          1HB       GLN  53  -3.290   9.832   1.478
  439   1HG   GLN  53          2HG       GLN  53  -3.652   7.399   2.770
  440   2HG   GLN  53          1HG       GLN  53  -5.282   7.840   2.260
  441   1HE2  GLN  53          1HE2      GLN  53  -4.854   5.872   0.746
  442   2HE2  GLN  53          2HE2      GLN  53  -4.109   6.202  -0.743
  443    H    LYS  54           H        LYS  54  -0.665   9.466   3.783
  444    HA   LYS  54           HA       LYS  54  -0.158  12.284   3.082
  445   1HB   LYS  54          2HB       LYS  54   0.324  12.465   5.334
  446   2HB   LYS  54          1HB       LYS  54   0.568  10.727   5.520
  447   1HG   LYS  54          2HG       LYS  54   2.798  10.838   4.939
  448   2HG   LYS  54          1HG       LYS  54   2.571  12.242   3.895
  449   1HD   LYS  54          2HD       LYS  54   2.861  13.722   5.606
  450   2HD   LYS  54          1HD       LYS  54   1.996  12.706   6.760
  451   1HE   LYS  54          2HE       LYS  54   4.480  12.970   7.217
  452   2HE   LYS  54          1HE       LYS  54   3.917  11.303   7.093
  453   1HZ   LYS  54          1HZ       LYS  54   5.110  12.793   4.889
  454   2HZ   LYS  54          2HZ       LYS  54   4.710  11.244   4.879
  455   3HZ   LYS  54          3HZ       LYS  54   5.913  11.753   5.803
  456    H    ILE  55           H        ILE  55   0.952  12.099   1.150
  457    HA   ILE  55           HA       ILE  55   3.013   9.978   1.035
  458    HB   ILE  55           HB       ILE  55   1.531  10.909  -1.411
  459   1HG1  ILE  55          2HG1      ILE  55  -0.097  10.124   0.385
  460   2HG1  ILE  55          1HG1      ILE  55  -0.131   9.200  -1.117
  461   1HG2  ILE  55          1HG2      ILE  55   3.365   8.711  -0.605
  462   2HG2  ILE  55          2HG2      ILE  55   3.234   9.560  -2.144
  463   3HG2  ILE  55          3HG2      ILE  55   2.085   8.285  -1.741
  464   1HD1  ILE  55          1HD1      ILE  55   1.462   8.415   1.340
  465   2HD1  ILE  55          2HD1      ILE  55   1.272   7.468  -0.136
  466   3HD1  ILE  55          3HD1      ILE  55  -0.115   7.745   0.918
  467    H    SER  56           H        SER  56   4.809  11.245   1.318
  468    HA   SER  56           HA       SER  56   5.077  13.520  -0.545
  469   1HB   SER  56          2HB       SER  56   5.808  13.200   2.326
  470   2HB   SER  56          1HB       SER  56   6.878  14.160   1.309
  471    HG   SER  56           HG       SER  56   5.042  15.271   2.363
  472    HA   PRO  57           HA       PRO  57   8.697  10.546  -0.640
  473   1HB   PRO  57          2HB       PRO  57   7.869   8.884  -2.847
  474   2HB   PRO  57          1HB       PRO  57   8.305   8.434  -1.197
  475   1HG   PRO  57          2HG       PRO  57   5.707   8.462  -2.344
  476   2HG   PRO  57          1HG       PRO  57   6.128   8.014  -0.706
  477   1HD   PRO  57          2HD       PRO  57   4.801  10.417  -1.594
  478   2HD   PRO  57          1HD       PRO  57   5.208   9.933   0.061
  479    H    GLU  58           H        GLU  58   6.833  12.459  -2.641
  480    HA   GLU  58           HA       GLU  58   8.408  12.447  -5.009
  481   1HB   GLU  58          2HB       GLU  58   6.088  13.519  -4.612
  482   2HB   GLU  58          1HB       GLU  58   6.977  14.862  -3.892
  483   1HG   GLU  58          2HG       GLU  58   7.647  15.627  -5.910
  484   2HG   GLU  58          1HG       GLU  58   8.117  14.014  -6.448
  485    H    GLY  59           H        GLY  59   9.063  13.405  -1.807
  486   1HA   GLY  59          2HA       GLY  59  11.500  14.756  -2.728
  487   2HA   GLY  59          1HA       GLY  59  10.479  15.559  -1.532
  488    H    LYS  60           H        LYS  60  10.533  12.116  -1.418
  489    HA   LYS  60           HA       LYS  60  11.931  12.246   1.156
  490   1HB   LYS  60          2HB       LYS  60  10.356  10.079  -0.279
  491   2HB   LYS  60          1HB       LYS  60  11.212   9.778   1.230
  492   1HG   LYS  60          2HG       LYS  60   9.341  12.119   1.047
  493   2HG   LYS  60          1HG       LYS  60   8.691  10.502   1.315
  494   1HD   LYS  60          2HD       LYS  60  10.825  10.629   3.084
  495   2HD   LYS  60          1HD       LYS  60  10.141  12.253   3.159
  496   1HE   LYS  60          2HE       LYS  60   7.925  11.337   3.628
  497   2HE   LYS  60          1HE       LYS  60   8.541   9.694   3.456
  498   1HZ   LYS  60          1HZ       LYS  60   9.622  11.557   5.410
  499   2HZ   LYS  60          2HZ       LYS  60   9.824   9.971   5.356
  500   3HZ   LYS  60          3HZ       LYS  60   8.400  10.582   5.757
  501    H    ALA  61           H        ALA  61  12.412   9.201  -0.036
  502    HA   ALA  61           HA       ALA  61  15.028   9.934  -1.174
  503   1HB   ALA  61          1HB       ALA  61  16.032   8.526   0.283
  504   2HB   ALA  61          2HB       ALA  61  14.894   7.236  -0.108
  505   3HB   ALA  61          3HB       ALA  61  14.494   8.416   1.141
  506    H    LYS  62           H        LYS  62  12.067   8.128  -1.358
  507    HA   LYS  62           HA       LYS  62  12.441   7.597  -4.088
  508   1HB   LYS  62          2HB       LYS  62  12.022   4.968  -3.325
  509   2HB   LYS  62          1HB       LYS  62  13.495   5.629  -4.029
  510   1HG   LYS  62          2HG       LYS  62  14.358   6.160  -1.786
  511   2HG   LYS  62          1HG       LYS  62  12.880   5.535  -1.059
  512   1HD   LYS  62          2HD       LYS  62  14.454   3.766  -0.924
  513   2HD   LYS  62          1HD       LYS  62  13.413   3.351  -2.284
  514   1HE   LYS  62          2HE       LYS  62  15.336   3.138  -3.467
  515   2HE   LYS  62          1HE       LYS  62  15.361   4.901  -3.476
  516   1HZ   LYS  62          1HZ       LYS  62  16.762   3.108  -1.673
  517   2HZ   LYS  62          2HZ       LYS  62  16.525   4.643  -1.288
  518   3HZ   LYS  62          3HZ       LYS  62  17.376   4.268  -2.590
  519    H    ILE  63           H        ILE  63  10.802   5.717  -1.720
  520    HA   ILE  63           HA       ILE  63   8.296   7.023  -2.311
  521    HB   ILE  63           HB       ILE  63   8.270   5.933  -4.287
  522   1HG1  ILE  63          2HG1      ILE  63   7.052   3.531  -3.185
  523   2HG1  ILE  63          1HG1      ILE  63   6.488   4.970  -2.335
  524   1HG2  ILE  63          1HG2      ILE  63  10.081   4.137  -2.918
  525   2HG2  ILE  63          2HG2      ILE  63   9.859   4.367  -4.653
  526   3HG2  ILE  63          3HG2      ILE  63   8.864   3.203  -3.783
  527   1HD1  ILE  63          1HD1      ILE  63   5.252   4.217  -4.515
  528   2HD1  ILE  63          2HD1      ILE  63   6.622   4.964  -5.336
  529   3HD1  ILE  63          3HD1      ILE  63   5.598   5.929  -4.272
  530    H    GLN  64           H        GLN  64   8.258   7.189  -0.051
  531    HA   GLN  64           HA       GLN  64   7.389   4.692   1.299
  532   1HB   GLN  64          2HB       GLN  64   7.884   6.269   3.399
  533   2HB   GLN  64          1HB       GLN  64   9.172   5.329   2.646
  534   1HG   GLN  64          2HG       GLN  64   9.650   7.341   1.182
  535   2HG   GLN  64          1HG       GLN  64   8.526   8.253   2.191
  536   1HE2  GLN  64          1HE2      GLN  64  11.098   5.833   2.962
  537   2HE2  GLN  64          2HE2      GLN  64  11.883   6.817   4.100
  538    H    LEU  65           H        LEU  65   5.254   4.755   2.081
  539    HA   LEU  65           HA       LEU  65   3.980   7.409   1.905
  540   1HB   LEU  65          2HB       LEU  65   1.882   6.231   1.235
  541   2HB   LEU  65          1HB       LEU  65   3.190   6.094   0.070
  542    HG   LEU  65           HG       LEU  65   1.891   3.963   0.513
  543   1HD1  LEU  65          1HD1      LEU  65   3.706   2.850  -0.170
  544   2HD1  LEU  65          2HD1      LEU  65   4.575   3.182   1.325
  545   3HD1  LEU  65          3HD1      LEU  65   4.582   4.368   0.019
  546   1HD2  LEU  65          1HD2      LEU  65   3.485   3.752   3.051
  547   2HD2  LEU  65          2HD2      LEU  65   2.116   2.776   2.524
  548   3HD2  LEU  65          3HD2      LEU  65   1.860   4.436   3.060
  549    H    GLN  66           H        GLN  66   1.923   7.560   3.255
  550    HA   GLN  66           HA       GLN  66   2.050   5.871   5.662
  551   1HB   GLN  66          2HB       GLN  66   3.173   8.419   5.571
  552   2HB   GLN  66          1HB       GLN  66   1.595   8.672   6.317
  553   1HG   GLN  66          2HG       GLN  66   2.175   6.630   7.790
  554   2HG   GLN  66          1HG       GLN  66   3.833   6.873   7.240
  555   1HE2  GLN  66          1HE2      GLN  66   1.135   8.944   8.478
  556   2HE2  GLN  66          2HE2      GLN  66   2.127   9.872   9.495
  557    H    LEU  67           H        LEU  67   0.070   5.306   6.289
  558    HA   LEU  67           HA       LEU  67  -2.246   6.994   5.544
  559   1HB   LEU  67          2HB       LEU  67  -2.079   5.101   3.957
  560   2HB   LEU  67          1HB       LEU  67  -2.028   3.971   5.308
  561    HG   LEU  67           HG       LEU  67  -4.309   5.757   5.529
  562   1HD1  LEU  67          1HD1      LEU  67  -5.323   4.201   3.508
  563   2HD1  LEU  67          2HD1      LEU  67  -3.715   4.587   2.890
  564   3HD1  LEU  67          3HD1      LEU  67  -4.829   5.885   3.318
  565   1HD2  LEU  67          1HD2      LEU  67  -3.924   2.765   5.280
  566   2HD2  LEU  67          2HD2      LEU  67  -5.478   3.530   5.601
  567   3HD2  LEU  67          3HD2      LEU  67  -4.164   3.687   6.765
  568    H    VAL  68           H        VAL  68  -3.984   6.865   7.104
  569    HA   VAL  68           HA       VAL  68  -3.206   5.364   9.508
  570    HB   VAL  68           HB       VAL  68  -4.702   7.927   9.837
  571   1HG1  VAL  68          1HG1      VAL  68  -2.937   6.111  11.465
  572   2HG1  VAL  68          2HG1      VAL  68  -4.595   6.620  11.808
  573   3HG1  VAL  68          3HG1      VAL  68  -3.266   7.762  11.983
  574   1HG2  VAL  68          1HG2      VAL  68  -2.111   7.732   8.724
  575   2HG2  VAL  68          2HG2      VAL  68  -1.904   8.159  10.420
  576   3HG2  VAL  68          3HG2      VAL  68  -2.887   9.180   9.367
  577    H    LEU  69           H        LEU  69  -4.858   4.861  10.911
  578    HA   LEU  69           HA       LEU  69  -7.199   3.930   9.460
  579   1HB   LEU  69          2HB       LEU  69  -6.216   3.392  12.274
  580   2HB   LEU  69          1HB       LEU  69  -7.366   2.416  11.387
  581    HG   LEU  69           HG       LEU  69  -4.476   2.249  11.403
  582   1HD1  LEU  69          1HD1      LEU  69  -5.532   0.210  11.443
  583   2HD1  LEU  69          2HD1      LEU  69  -5.079   0.326   9.739
  584   3HD1  LEU  69          3HD1      LEU  69  -6.732   0.694  10.242
  585   1HD2  LEU  69          1HD2      LEU  69  -5.667   3.087   8.789
  586   2HD2  LEU  69          2HD2      LEU  69  -4.381   1.885   8.800
  587   3HD2  LEU  69          3HD2      LEU  69  -4.095   3.482   9.485
  588    H    HIS  70           H        HIS  70  -9.353   4.544  10.096
  589    HA   HIS  70           HA       HIS  70  -9.834   7.077  11.095
  590   1HB   HIS  70          2HB       HIS  70 -12.041   6.006  11.997
  591   2HB   HIS  70          1HB       HIS  70 -11.747   5.973  10.259
  592    HD1  HIS  70           HD1      HIS  70 -11.105   3.731  13.286
  593    HD2  HIS  70           HD2      HIS  70 -11.895   3.434   9.204
  594    HE1  HIS  70           HE1      HIS  70 -11.332   1.260  12.779
  595    H    ALA  71           H        ALA  71  -9.062   4.122  12.669
  596    HA   ALA  71           HA       ALA  71  -9.455   5.079  15.366
  597   1HB   ALA  71          1HB       ALA  71  -9.373   2.602  14.464
  598   2HB   ALA  71          2HB       ALA  71  -8.686   2.974  16.045
  599   3HB   ALA  71          3HB       ALA  71  -7.629   2.799  14.644
  600    H    GLY  72           H        GLY  72  -6.787   4.047  16.223
  601   1HA   GLY  72          2HA       GLY  72  -5.215   6.398  15.387
  602   2HA   GLY  72          1HA       GLY  72  -5.132   5.660  16.987
  603    H    ASP  73           H        ASP  73  -5.006   4.393  13.718
  604    HA   ASP  73           HA       ASP  73  -2.393   3.184  14.424
  605   1HB   ASP  73          2HB       ASP  73  -4.840   1.912  13.250
  606   2HB   ASP  73          1HB       ASP  73  -3.251   1.311  12.773
  607    H    THR  74           H        THR  74  -0.839   3.608  12.990
  608    HA   THR  74           HA       THR  74  -1.670   4.851  10.452
  609    HB   THR  74           HB       THR  74   1.111   4.981  11.573
  610    HG1  THR  74           HG1      THR  74  -0.911   6.844  12.203
  611   1HG2  THR  74          1HG2      THR  74   0.333   7.424  10.502
  612   2HG2  THR  74          2HG2      THR  74  -0.468   6.243   9.465
  613   3HG2  THR  74          3HG2      THR  74   1.282   6.189   9.674
  614    H    THR  75           H        THR  75  -0.370   4.290   8.547
  615    HA   THR  75           HA       THR  75   0.863   1.625   8.805
  616    HB   THR  75           HB       THR  75  -0.331   2.331   6.200
  617    HG1  THR  75           HG1      THR  75  -2.375   2.307   6.832
  618   1HG2  THR  75          1HG2      THR  75  -1.006  -0.109   7.781
  619   2HG2  THR  75          2HG2      THR  75   0.662   0.087   7.245
  620   3HG2  THR  75          3HG2      THR  75  -0.646   0.051   6.062
  621    H    ASN  76           H        ASN  76   3.039   1.935   8.339
  622    HA   ASN  76           HA       ASN  76   3.680   4.092   6.423
  623   1HB   ASN  76          2HB       ASN  76   5.429   2.779   8.530
  624   2HB   ASN  76          1HB       ASN  76   5.912   4.097   7.462
  625   1HD2  ASN  76          1HD2      ASN  76   3.225   3.374   9.775
  626   2HD2  ASN  76          2HD2      ASN  76   3.178   4.941  10.427
  627    H    PHE  77           H        PHE  77   4.579   3.408   4.486
  628    HA   PHE  77           HA       PHE  77   5.787   0.733   4.499
  629   1HB   PHE  77          2HB       PHE  77   3.189   1.324   3.432
  630   2HB   PHE  77          1HB       PHE  77   4.281   0.871   2.131
  631    HD1  PHE  77           HD1      PHE  77   6.135  -0.926   3.482
  632    HD2  PHE  77           HD2      PHE  77   1.874  -0.651   3.829
  633    HE1  PHE  77           HE1      PHE  77   6.050  -3.292   4.121
  634    HE2  PHE  77           HE2      PHE  77   1.780  -3.032   4.474
  635    HZ   PHE  77           HZ       PHE  77   3.893  -4.335   4.611
  636    H    HIS  78           H        HIS  78   7.152   0.347   2.782
  637    HA   HIS  78           HA       HIS  78   7.749   2.566   0.954
  638   1HB   HIS  78          2HB       HIS  78   9.035   3.007   3.042
  639   2HB   HIS  78          1HB       HIS  78   9.853   1.467   2.832
  640    HD1  HIS  78           HD1      HIS  78  11.705   1.323   1.160
  641    HD2  HIS  78           HD2      HIS  78   9.709   4.976   0.891
  642    HE1  HIS  78           HE1      HIS  78  12.958   2.738  -0.502
  643    H    PHE  79           H        PHE  79   9.346   2.094  -0.549
  644    HA   PHE  79           HA       PHE  79   9.800  -0.780  -1.206
  645   1HB   PHE  79          2HB       PHE  79   9.183   1.451  -3.144
  646   2HB   PHE  79          1HB       PHE  79   9.248  -0.269  -3.486
  647    HD1  PHE  79           HD1      PHE  79   7.337   2.449  -1.864
  648    HD2  PHE  79           HD2      PHE  79   7.314  -1.713  -2.948
  649    HE1  PHE  79           HE1      PHE  79   4.885   2.357  -1.454
  650    HE2  PHE  79           HE2      PHE  79   4.892  -1.808  -2.495
  651    HZ   PHE  79           HZ       PHE  79   3.679   0.199  -1.756
  652    H    SER  80           H        SER  80  12.222  -1.011  -2.049
  653    HA   SER  80           HA       SER  80  13.382   1.570  -2.651
  654   1HB   SER  80          2HB       SER  80  13.455   1.092  -0.120
  655   2HB   SER  80          1HB       SER  80  14.661  -0.122  -0.532
  656    HG   SER  80           HG       SER  80  16.039   1.435  -0.745
  657    H    ASN  81           H        ASN  81  13.536  -1.917  -2.836
  658    HA   ASN  81           HA       ASN  81  16.134  -2.438  -3.509
  659   1HB   ASN  81          2HB       ASN  81  14.144  -3.480  -5.466
  660   2HB   ASN  81          1HB       ASN  81  15.424  -4.330  -4.607
  661   1HD2  ASN  81          1HD2      ASN  81  12.119  -3.082  -4.294
  662   2HD2  ASN  81          2HD2      ASN  81  11.721  -4.004  -2.932
  663    H    GLU  82           H        GLU  82  17.409  -1.045  -4.641
  664    HA   GLU  82           HA       GLU  82  16.811   0.873  -6.439
  665   1HB   GLU  82          2HB       GLU  82  19.029   0.567  -7.417
  666   2HB   GLU  82          1HB       GLU  82  19.108   0.319  -5.672
  667   1HG   GLU  82          2HG       GLU  82  18.764  -2.178  -6.177
  668   2HG   GLU  82          1HG       GLU  82  19.131  -1.769  -7.854
  669    H    SER  83           H        SER  83  17.143  -2.583  -7.248
  670    HA   SER  83           HA       SER  83  16.843  -2.376 -10.011
  671   1HB   SER  83          2HB       SER  83  17.025  -4.437  -8.199
  672   2HB   SER  83          1HB       SER  83  15.371  -4.602  -8.780
  673    HG   SER  83           HG       SER  83  17.774  -4.541 -10.289
  674    H    THR  84           H        THR  84  14.393  -2.361  -7.447
  675    HA   THR  84           HA       THR  84  12.456  -1.481  -9.495
  676    HB   THR  84           HB       THR  84  11.772  -3.716  -9.096
  677    HG1  THR  84           HG1      THR  84   9.844  -3.198  -8.502
  678   1HG2  THR  84          1HG2      THR  84  13.298  -4.277  -7.323
  679   2HG2  THR  84          2HG2      THR  84  11.665  -4.642  -6.765
  680   3HG2  THR  84          3HG2      THR  84  12.479  -3.179  -6.212
  681    H    ALA  85           H        ALA  85  14.028   0.126  -7.667
  682    HA   ALA  85           HA       ALA  85  12.158   0.740  -5.526
  683   1HB   ALA  85          1HB       ALA  85  14.548   2.437  -5.845
  684   2HB   ALA  85          2HB       ALA  85  14.871   0.725  -5.592
  685   3HB   ALA  85          3HB       ALA  85  13.922   1.625  -4.413
  686    H    VAL  86           H        VAL  86  11.518   1.711  -8.512
  687    HA   VAL  86           HA       VAL  86  10.969   4.409  -7.538
  688    HB   VAL  86           HB       VAL  86  12.355   3.788 -10.157
  689   1HG1  VAL  86          1HG1      VAL  86  12.415   6.331 -10.282
  690   2HG1  VAL  86          2HG1      VAL  86  11.231   6.339  -8.975
  691   3HG1  VAL  86          3HG1      VAL  86  10.828   5.603 -10.525
  692   1HG2  VAL  86          1HG2      VAL  86  14.009   5.475  -8.990
  693   2HG2  VAL  86          2HG2      VAL  86  14.054   3.767  -8.552
  694   3HG2  VAL  86          3HG2      VAL  86  13.221   4.922  -7.512
  695    H    LYS  87           H        LYS  87  10.658   3.791 -10.930
  696    HA   LYS  87           HA       LYS  87   8.113   4.499 -11.333
  697   1HB   LYS  87          2HB       LYS  87   9.881   2.522 -12.619
  698   2HB   LYS  87          1HB       LYS  87   8.164   2.310 -12.962
  699   1HG   LYS  87          2HG       LYS  87   8.765   5.106 -13.092
  700   2HG   LYS  87          1HG       LYS  87   9.946   4.238 -14.074
  701   1HD   LYS  87          2HD       LYS  87   8.401   3.691 -15.634
  702   2HD   LYS  87          1HD       LYS  87   7.224   3.212 -14.411
  703   1HE   LYS  87          2HE       LYS  87   7.658   6.096 -14.428
  704   2HE   LYS  87          1HE       LYS  87   7.101   5.505 -15.993
  705   1HZ   LYS  87          1HZ       LYS  87   5.570   4.208 -14.235
  706   2HZ   LYS  87          2HZ       LYS  87   5.126   5.519 -15.037
  707   3HZ   LYS  87          3HZ       LYS  87   5.699   5.649 -13.549
  708    H    GLU  88           H        GLU  88   8.821   1.040 -10.877
  709    HA   GLU  88           HA       GLU  88   6.384  -0.066 -10.591
  710   1HB   GLU  88          2HB       GLU  88   7.518  -1.258  -8.480
  711   2HB   GLU  88          1HB       GLU  88   8.041  -1.606 -10.118
  712   1HG   GLU  88          2HG       GLU  88   9.399   0.736  -9.092
  713   2HG   GLU  88          1HG       GLU  88   9.625  -0.656  -8.049
  714    H    ARG  89           H        ARG  89   8.094   1.227  -7.790
  715    HA   ARG  89           HA       ARG  89   5.892   1.183  -6.032
  716   1HB   ARG  89          2HB       ARG  89   8.100   3.219  -5.817
  717   2HB   ARG  89          1HB       ARG  89   7.326   2.286  -4.536
  718   1HG   ARG  89          2HG       ARG  89   9.339   1.305  -6.578
  719   2HG   ARG  89          1HG       ARG  89   9.502   1.310  -4.835
  720   1HD   ARG  89          2HD       ARG  89   7.606  -0.290  -4.672
  721   2HD   ARG  89          1HD       ARG  89   7.517  -0.344  -6.421
  722    HE   ARG  89           HE       ARG  89  10.103  -1.000  -5.902
  723   1HH1  ARG  89          1HH2      ARG  89   6.983  -2.048  -4.836
  724   2HH1  ARG  89          2HH2      ARG  89   7.486  -3.681  -4.561
  725   1HH2  ARG  89          1HH1      ARG  89  10.756  -3.127  -5.537
  726   2HH2  ARG  89          2HH1      ARG  89   9.617  -4.291  -4.957
  727    H    ASP  90           H        ASP  90   7.355   3.670  -7.981
  728    HA   ASP  90           HA       ASP  90   5.657   5.819  -7.423
  729   1HB   ASP  90          2HB       ASP  90   7.389   5.019  -9.678
  730   2HB   ASP  90          1HB       ASP  90   6.087   6.128 -10.108
  731    H    ALA  91           H        ALA  91   4.905   2.799  -8.905
  732    HA   ALA  91           HA       ALA  91   2.457   3.890 -10.103
  733   1HB   ALA  91          1HB       ALA  91   3.346   1.005 -10.152
  734   2HB   ALA  91          2HB       ALA  91   4.000   2.170 -11.303
  735   3HB   ALA  91          3HB       ALA  91   2.268   1.841 -11.270
  736    H    VAL  92           H        VAL  92   3.805   1.954  -7.524
  737    HA   VAL  92           HA       VAL  92   1.329   0.871  -6.550
  738    HB   VAL  92           HB       VAL  92   4.067   1.346  -5.351
  739   1HG1  VAL  92          1HG1      VAL  92   1.525   1.173  -3.924
  740   2HG1  VAL  92          2HG1      VAL  92   3.132   1.556  -3.306
  741   3HG1  VAL  92          3HG1      VAL  92   2.626  -0.128  -3.476
  742   1HG2  VAL  92          1HG2      VAL  92   2.398  -0.992  -6.189
  743   2HG2  VAL  92          2HG2      VAL  92   3.540  -1.206  -4.858
  744   3HG2  VAL  92          3HG2      VAL  92   4.119  -0.693  -6.446
  745    H    LYS  93           H        LYS  93   3.404   3.580  -5.553
  746    HA   LYS  93           HA       LYS  93   1.656   4.750  -3.722
  747   1HB   LYS  93          2HB       LYS  93   3.812   5.661  -3.767
  748   2HB   LYS  93          1HB       LYS  93   3.833   5.780  -5.525
  749   1HG   LYS  93          2HG       LYS  93   2.391   7.672  -5.522
  750   2HG   LYS  93          1HG       LYS  93   1.918   7.404  -3.842
  751   1HD   LYS  93          2HD       LYS  93   3.526   9.245  -3.956
  752   2HD   LYS  93          1HD       LYS  93   4.257   7.862  -3.138
  753   1HE   LYS  93          2HE       LYS  93   4.954   7.282  -5.679
  754   2HE   LYS  93          1HE       LYS  93   4.882   9.039  -5.800
  755   1HZ   LYS  93          1HZ       LYS  93   6.426   7.559  -3.815
  756   2HZ   LYS  93          2HZ       LYS  93   6.375   9.153  -3.951
  757   3HZ   LYS  93          3HZ       LYS  93   7.039   8.273  -5.111
  758    H    ASP  94           H        ASP  94   2.039   5.330  -7.276
  759    HA   ASP  94           HA       ASP  94   0.097   7.178  -7.764
  760   1HB   ASP  94          2HB       ASP  94   0.919   4.683  -9.196
  761   2HB   ASP  94          1HB       ASP  94  -0.517   5.535  -9.765
  762    H    LEU  95           H        LEU  95  -0.763   3.698  -7.924
  763    HA   LEU  95           HA       LEU  95  -3.474   3.901  -7.824
  764   1HB   LEU  95          2HB       LEU  95  -2.339   1.931  -5.894
  765   2HB   LEU  95          1HB       LEU  95  -3.583   1.711  -7.122
  766    HG   LEU  95           HG       LEU  95  -0.603   1.867  -7.519
  767   1HD1  LEU  95          1HD1      LEU  95  -1.153  -0.344  -7.030
  768   2HD1  LEU  95          2HD1      LEU  95  -1.301  -0.329  -8.787
  769   3HD1  LEU  95          3HD1      LEU  95  -2.744  -0.215  -7.778
  770   1HD2  LEU  95          1HD2      LEU  95  -1.958   1.293  -9.955
  771   2HD2  LEU  95          2HD2      LEU  95  -0.969   2.705  -9.585
  772   3HD2  LEU  95          3HD2      LEU  95  -2.706   2.740  -9.279
  773    H    LEU  96           H        LEU  96  -1.379   3.863  -4.889
  774    HA   LEU  96           HA       LEU  96  -3.194   4.090  -2.897
  775   1HB   LEU  96          2HB       LEU  96  -0.778   5.896  -3.228
  776   2HB   LEU  96          1HB       LEU  96  -1.602   5.561  -1.725
  777    HG   LEU  96           HG       LEU  96   0.181   3.772  -3.344
  778   1HD1  LEU  96          1HD1      LEU  96   1.360   4.477  -1.519
  779   2HD1  LEU  96          2HD1      LEU  96   0.523   3.128  -0.749
  780   3HD1  LEU  96          3HD1      LEU  96  -0.092   4.770  -0.561
  781   1HD2  LEU  96          1HD2      LEU  96  -0.726   1.799  -2.142
  782   2HD2  LEU  96          2HD2      LEU  96  -1.934   2.515  -3.210
  783   3HD2  LEU  96          3HD2      LEU  96  -2.009   2.807  -1.472
  784    H    GLN  97           H        GLN  97  -1.885   7.023  -4.433
  785    HA   GLN  97           HA       GLN  97  -3.996   8.666  -3.422
  786   1HB   GLN  97          2HB       GLN  97  -2.267   9.269  -5.831
  787   2HB   GLN  97          1HB       GLN  97  -3.087  10.423  -4.781
  788   1HG   GLN  97          2HG       GLN  97  -1.182  10.512  -3.579
  789   2HG   GLN  97          1HG       GLN  97  -1.574   8.883  -3.025
  790   1HE2  GLN  97          1HE2      GLN  97  -1.226   7.769  -5.815
  791   2HE2  GLN  97          2HE2      GLN  97   0.451   7.688  -6.034
  792    H    GLN  98           H        GLN  98  -4.144   6.312  -5.751
  793    HA   GLN  98           HA       GLN  98  -6.078   7.730  -7.430
  794   1HB   GLN  98          2HB       GLN  98  -4.162   6.080  -8.198
  795   2HB   GLN  98          1HB       GLN  98  -5.349   4.845  -7.775
  796   1HG   GLN  98          2HG       GLN  98  -6.559   7.014  -9.299
  797   2HG   GLN  98          1HG       GLN  98  -5.230   6.260 -10.182
  798   1HE2  GLN  98          1HE2      GLN  98  -5.372   3.603  -9.539
  799   2HE2  GLN  98          2HE2      GLN  98  -6.888   2.953  -9.940
  800    H    LEU  99           H        LEU  99  -5.867   5.092  -5.058
  801    HA   LEU  99           HA       LEU  99  -8.732   4.536  -5.374
  802   1HB   LEU  99          2HB       LEU  99  -7.489   3.315  -3.045
  803   2HB   LEU  99          1HB       LEU  99  -8.269   2.532  -4.399
  804    HG   LEU  99           HG       LEU  99  -5.938   3.321  -5.563
  805   1HD1  LEU  99          1HD1      LEU  99  -4.306   2.487  -3.641
  806   2HD1  LEU  99          2HD1      LEU  99  -5.599   3.099  -2.607
  807   3HD1  LEU  99          3HD1      LEU  99  -4.806   4.171  -3.741
  808   1HD2  LEU  99          1HD2      LEU  99  -6.238   1.096  -5.923
  809   2HD2  LEU  99          2HD2      LEU  99  -7.004   0.856  -4.353
  810   3HD2  LEU  99          3HD2      LEU  99  -5.244   0.887  -4.482
  811    H    LEU 100           H        LEU 100  -6.499   6.180  -3.254
  812    HA   LEU 100           HA       LEU 100  -7.807   6.421  -0.924
  813   1HB   LEU 100          2HB       LEU 100  -5.821   7.614  -0.949
  814   2HB   LEU 100          1HB       LEU 100  -6.157   8.357  -2.506
  815    HG   LEU 100           HG       LEU 100  -8.063   9.091  -0.377
  816   1HD1  LEU 100          1HD1      LEU 100  -5.151   9.924  -0.231
  817   2HD1  LEU 100          2HD1      LEU 100  -6.031   8.988   0.976
  818   3HD1  LEU 100          3HD1      LEU 100  -6.458  10.674   0.685
  819   1HD2  LEU 100          1HD2      LEU 100  -7.290  11.401  -1.339
  820   2HD2  LEU 100          2HD2      LEU 100  -8.248  10.331  -2.362
  821   3HD2  LEU 100          3HD2      LEU 100  -6.500  10.425  -2.578
  822    HA   PRO 101           HA       PRO 101 -10.602   9.769  -3.084
  823   1HB   PRO 101          2HB       PRO 101 -10.603   8.503  -5.766
  824   2HB   PRO 101          1HB       PRO 101 -10.597  10.224  -5.350
  825   1HG   PRO 101          2HG       PRO 101  -8.410   8.840  -6.295
  826   2HG   PRO 101          1HG       PRO 101  -8.297  10.305  -5.304
  827   1HD   PRO 101          2HD       PRO 101  -7.646   7.556  -4.585
  828   2HD   PRO 101          1HD       PRO 101  -7.284   9.054  -3.711
  829    H    LYS 102           H        LYS 102 -10.472   6.414  -4.166
  830    HA   LYS 102           HA       LYS 102 -13.110   5.809  -4.650
  831   1HB   LYS 102          2HB       LYS 102 -11.221   4.241  -4.916
  832   2HB   LYS 102          1HB       LYS 102 -11.076   4.144  -3.159
  833   1HG   LYS 102          2HG       LYS 102 -12.680   2.593  -3.055
  834   2HG   LYS 102          1HG       LYS 102 -13.804   3.641  -3.924
  835   1HD   LYS 102          2HD       LYS 102 -11.735   2.501  -5.657
  836   2HD   LYS 102          1HD       LYS 102 -12.743   1.272  -4.893
  837   1HE   LYS 102          2HE       LYS 102 -14.651   1.962  -5.977
  838   2HE   LYS 102          1HE       LYS 102 -14.138   3.648  -6.028
  839   1HZ   LYS 102          1HZ       LYS 102 -14.101   2.439  -8.173
  840   2HZ   LYS 102          2HZ       LYS 102 -12.866   1.579  -7.629
  841   3HZ   LYS 102          3HZ       LYS 102 -12.724   3.164  -7.795
  842    H    PHE 103           H        PHE 103 -11.489   5.895  -1.468
  843    HA   PHE 103           HA       PHE 103 -14.146   5.473  -0.267
  844   1HB   PHE 103          2HB       PHE 103 -12.426   5.210   1.837
  845   2HB   PHE 103          1HB       PHE 103 -12.946   3.870   0.820
  846    HD1  PHE 103           HD1      PHE 103 -11.578   3.424  -1.324
  847    HD2  PHE 103           HD2      PHE 103 -10.136   5.748   1.986
  848    HE1  PHE 103           HE1      PHE 103  -9.266   3.104  -2.122
  849    HE2  PHE 103           HE2      PHE 103  -7.805   5.421   1.199
  850    HZ   PHE 103           HZ       PHE 103  -7.367   4.100  -0.859
  851    H    LYS 104           H        LYS 104 -12.158   7.973  -1.063
  852    HA   LYS 104           HA       LYS 104 -12.695   9.469   1.402
  853   1HB   LYS 104          2HB       LYS 104 -10.784   9.705  -0.828
  854   2HB   LYS 104          1HB       LYS 104 -11.472  11.237  -0.294
  855   1HG   LYS 104          2HG       LYS 104  -9.449  10.780   0.991
  856   2HG   LYS 104          1HG       LYS 104 -10.852  10.653   2.053
  857   1HD   LYS 104          2HD       LYS 104 -10.852   8.177   1.673
  858   2HD   LYS 104          1HD       LYS 104  -9.358   8.358   0.753
  859   1HE   LYS 104          2HE       LYS 104  -9.527   9.508   3.518
  860   2HE   LYS 104          1HE       LYS 104  -9.243   7.779   3.315
  861   1HZ   LYS 104          1HZ       LYS 104  -7.237   9.200   3.380
  862   2HZ   LYS 104          2HZ       LYS 104  -7.653   9.798   1.957
  863   3HZ   LYS 104          3HZ       LYS 104  -7.325   8.238   2.103
  864    H    ARG 105           H        ARG 105 -14.612   8.591  -0.767
  865    HA   ARG 105           HA       ARG 105 -15.545  10.726  -2.278
  866   1HB   ARG 105          2HB       ARG 105 -16.540   8.162  -1.413
  867   2HB   ARG 105          1HB       ARG 105 -17.829   9.363  -1.322
  868   1HG   ARG 105          2HG       ARG 105 -17.011  10.087  -3.684
  869   2HG   ARG 105          1HG       ARG 105 -16.215   8.514  -3.719
  870   1HD   ARG 105          2HD       ARG 105 -18.989   8.372  -2.781
  871   2HD   ARG 105          1HD       ARG 105 -18.848   8.986  -4.428
  872    HE   ARG 105           HE       ARG 105 -17.201   6.804  -4.400
  873   1HH1  ARG 105          1HH2      ARG 105 -20.479   7.475  -3.532
  874   2HH1  ARG 105          2HH2      ARG 105 -21.041   5.886  -3.924
  875   1HH2  ARG 105          1HH1      ARG 105 -17.928   4.730  -4.915
  876   2HH2  ARG 105          2HH1      ARG 105 -19.601   4.335  -4.706
  877    H    LYS 106           H        LYS 106 -17.449   9.725   0.543
  878    HA   LYS 106           HA       LYS 106 -17.544  12.581   1.326
  879   1HB   LYS 106          2HB       LYS 106 -19.889  12.192   2.006
  880   2HB   LYS 106          1HB       LYS 106 -19.663  11.886   0.283
  881   1HG   LYS 106          2HG       LYS 106 -19.945   9.612   0.507
  882   2HG   LYS 106          1HG       LYS 106 -19.280   9.584   2.140
  883   1HD   LYS 106          2HD       LYS 106 -21.336   9.733   3.041
  884   2HD   LYS 106          1HD       LYS 106 -21.697  11.168   2.081
  885   1HE   LYS 106          2HE       LYS 106 -23.306   9.509   1.443
  886   2HE   LYS 106          1HE       LYS 106 -22.140   9.605   0.124
  887   1HZ   LYS 106          1HZ       LYS 106 -22.009   7.641   2.275
  888   2HZ   LYS 106          2HZ       LYS 106 -21.079   7.688   0.974
  889   3HZ   LYS 106          3HZ       LYS 106 -22.635   7.343   0.832
  890    H    ALA 107           H        ALA 107 -17.931  12.912   3.644
  891    HA   ALA 107           HA       ALA 107 -16.528  10.913   5.219
  892   1HB   ALA 107          1HB       ALA 107 -16.119  12.623   6.662
  893   2HB   ALA 107          2HB       ALA 107 -17.786  13.195   6.603
  894   3HB   ALA 107          3HB       ALA 107 -16.654  13.646   5.329
  895    H    ASN 108           H        ASN 108 -17.630  10.679   7.572
  896    HA   ASN 108           HA       ASN 108 -20.515  10.474   7.468
  897   1HB   ASN 108          2HB       ASN 108 -20.239   7.926   8.079
  898   2HB   ASN 108          1HB       ASN 108 -20.270   8.425   6.387
  899   1HD2  ASN 108          1HD2      ASN 108 -18.259   8.344   5.180
  900   2HD2  ASN 108          2HD2      ASN 108 -16.875   7.576   5.794
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -14.986  -9.497  -9.881
    2   2H    MET   1          2H        MET   1 -15.912  -9.044 -11.105
    3   3H    MET   1          3H        MET   1 -15.753 -10.597 -10.755
    4    HA   MET   1           HA       MET   1 -16.759 -10.144  -8.549
    5   1HB   MET   1          2HB       MET   1 -16.404  -7.540  -9.397
    6   2HB   MET   1          1HB       MET   1 -18.122  -7.807  -9.695
    7   1HG   MET   1          2HG       MET   1 -16.810  -8.552  -7.076
    8   2HG   MET   1          1HG       MET   1 -17.499  -6.954  -7.361
    9   1HE   MET   1          1HE       MET   1 -20.334  -6.586  -6.802
   10   2HE   MET   1          2HE       MET   1 -18.888  -6.768  -5.811
   11   3HE   MET   1          3HE       MET   1 -20.345  -7.672  -5.405
   12    H    ALA   2           H        ALA   2 -17.379 -10.080 -11.938
   13    HA   ALA   2           HA       ALA   2 -20.186 -10.364 -11.929
   14   1HB   ALA   2          1HB       ALA   2 -18.189 -10.317 -13.852
   15   2HB   ALA   2          2HB       ALA   2 -19.901 -10.605 -14.160
   16   3HB   ALA   2          3HB       ALA   2 -18.802 -11.968 -13.951
   17    H    THR   3           H        THR   3 -17.838 -13.012 -12.494
   18    HA   THR   3           HA       THR   3 -19.468 -14.685 -10.696
   19    HB   THR   3           HB       THR   3 -18.669 -16.373 -12.785
   20    HG1  THR   3           HG1      THR   3 -18.734 -15.216 -14.515
   21   1HG2  THR   3          1HG2      THR   3 -21.401 -15.430 -13.054
   22   2HG2  THR   3          2HG2      THR   3 -20.978 -15.676 -11.359
   23   3HG2  THR   3          3HG2      THR   3 -20.813 -17.001 -12.511
   24    H    SER   4           H        SER   4 -16.591 -13.378 -11.022
   25    HA   SER   4           HA       SER   4 -15.030 -15.844 -10.674
   26   1HB   SER   4          2HB       SER   4 -13.939 -13.035 -10.680
   27   2HB   SER   4          1HB       SER   4 -13.110 -14.535 -11.085
   28    HG   SER   4           HG       SER   4 -15.068 -13.117 -12.550
   29    H    SER   5           H        SER   5 -13.042 -14.307  -9.059
   30    HA   SER   5           HA       SER   5 -14.524 -14.424  -6.501
   31   1HB   SER   5          2HB       SER   5 -11.538 -14.704  -6.865
   32   2HB   SER   5          1HB       SER   5 -12.505 -15.144  -5.460
   33    HG   SER   5           HG       SER   5 -13.520 -16.725  -6.786
   34    H    GLU   6           H        GLU   6 -12.108 -13.222  -5.200
   35    HA   GLU   6           HA       GLU   6 -12.958 -10.535  -5.224
   36   1HB   GLU   6          2HB       GLU   6 -10.413 -10.281  -4.336
   37   2HB   GLU   6          1HB       GLU   6 -11.745 -10.813  -3.321
   38   1HG   GLU   6          2HG       GLU   6 -11.148 -13.116  -3.602
   39   2HG   GLU   6          1HG       GLU   6 -10.030 -12.729  -4.912
   40    H    GLU   7           H        GLU   7 -11.723  -8.659  -5.950
   41    HA   GLU   7           HA       GLU   7 -10.176  -9.257  -8.409
   42   1HB   GLU   7          2HB       GLU   7 -12.015  -6.911  -7.842
   43   2HB   GLU   7          1HB       GLU   7 -11.052  -7.121  -9.305
   44   1HG   GLU   7          2HG       GLU   7 -12.500  -9.539  -8.873
   45   2HG   GLU   7          1HG       GLU   7 -13.638  -8.200  -8.719
   46    H    VAL   8           H        VAL   8  -8.011  -8.807  -7.900
   47    HA   VAL   8           HA       VAL   8  -7.519  -6.685  -5.960
   48    HB   VAL   8           HB       VAL   8  -5.340  -7.646  -5.748
   49   1HG1  VAL   8          1HG1      VAL   8  -6.737 -10.207  -6.202
   50   2HG1  VAL   8          2HG1      VAL   8  -7.627  -9.052  -5.210
   51   3HG1  VAL   8          3HG1      VAL   8  -6.011  -9.567  -4.728
   52   1HG2  VAL   8          1HG2      VAL   8  -5.809  -8.385  -8.493
   53   2HG2  VAL   8          2HG2      VAL   8  -5.355  -9.820  -7.574
   54   3HG2  VAL   8          3HG2      VAL   8  -4.294  -8.412  -7.591
   55    H    LEU   9           H        LEU   9  -5.955  -5.079  -6.409
   56    HA   LEU   9           HA       LEU   9  -6.050  -4.255  -9.229
   57   1HB   LEU   9          2HB       LEU   9  -6.861  -2.663  -7.565
   58   2HB   LEU   9          1HB       LEU   9  -5.297  -2.695  -6.749
   59    HG   LEU   9           HG       LEU   9  -4.195  -1.760  -8.695
   60   1HD1  LEU   9          1HD1      LEU   9  -5.547  -1.140 -10.706
   61   2HD1  LEU   9          2HD1      LEU   9  -6.925  -1.985  -9.999
   62   3HD1  LEU   9          3HD1      LEU   9  -5.472  -2.883 -10.442
   63   1HD2  LEU   9          1HD2      LEU   9  -5.347   0.427  -8.832
   64   2HD2  LEU   9          2HD2      LEU   9  -5.294  -0.160  -7.170
   65   3HD2  LEU   9          3HD2      LEU   9  -6.785  -0.289  -8.104
   66    H    LEU  10           H        LEU  10  -3.447  -4.494  -6.645
   67    HA   LEU  10           HA       LEU  10  -1.643  -5.179  -8.819
   68   1HB   LEU  10          2HB       LEU  10  -1.540  -2.828  -9.142
   69   2HB   LEU  10          1HB       LEU  10  -1.448  -2.518  -7.410
   70    HG   LEU  10           HG       LEU  10   0.675  -4.308  -8.254
   71   1HD1  LEU  10          1HD1      LEU  10   1.106  -3.378 -10.282
   72   2HD1  LEU  10          2HD1      LEU  10   1.733  -2.018  -9.351
   73   3HD1  LEU  10          3HD1      LEU  10   0.079  -1.981  -9.959
   74   1HD2  LEU  10          1HD2      LEU  10   0.531  -2.926  -6.157
   75   2HD2  LEU  10          2HD2      LEU  10   0.760  -1.485  -7.148
   76   3HD2  LEU  10          3HD2      LEU  10   2.036  -2.698  -7.047
   77    H    ILE  11           H        ILE  11   0.181  -6.248  -8.079
   78    HA   ILE  11           HA       ILE  11   0.395  -6.482  -5.142
   79    HB   ILE  11           HB       ILE  11  -0.320  -8.586  -5.887
   80   1HG1  ILE  11          2HG1      ILE  11   2.017  -8.540  -4.708
   81   2HG1  ILE  11          1HG1      ILE  11   1.483 -10.035  -5.462
   82   1HG2  ILE  11          1HG2      ILE  11   0.646  -9.641  -7.970
   83   2HG2  ILE  11          2HG2      ILE  11   1.452  -8.104  -8.292
   84   3HG2  ILE  11          3HG2      ILE  11  -0.311  -8.187  -8.259
   85   1HD1  ILE  11          1HD1      ILE  11   2.847  -8.432  -7.426
   86   2HD1  ILE  11          2HD1      ILE  11   3.260 -10.035  -6.828
   87   3HD1  ILE  11          3HD1      ILE  11   3.858  -8.603  -5.996
   88    H    VAL  12           H        VAL  12   2.358  -6.045  -4.286
   89    HA   VAL  12           HA       VAL  12   4.614  -5.684  -6.167
   90    HB   VAL  12           HB       VAL  12   5.502  -4.161  -4.304
   91   1HG1  VAL  12          1HG1      VAL  12   4.664  -2.398  -5.477
   92   2HG1  VAL  12          2HG1      VAL  12   2.993  -2.899  -5.215
   93   3HG1  VAL  12          3HG1      VAL  12   3.945  -3.642  -6.500
   94   1HG2  VAL  12          1HG2      VAL  12   3.730  -5.158  -2.703
   95   2HG2  VAL  12          2HG2      VAL  12   2.607  -4.042  -3.475
   96   3HG2  VAL  12          3HG2      VAL  12   4.020  -3.430  -2.626
   97    H    LYS  13           H        LYS  13   5.498  -7.713  -5.990
   98    HA   LYS  13           HA       LYS  13   5.680  -9.316  -3.715
   99   1HB   LYS  13          2HB       LYS  13   7.009 -10.676  -5.028
  100   2HB   LYS  13          1HB       LYS  13   6.231  -9.699  -6.263
  101   1HG   LYS  13          2HG       LYS  13   8.941  -9.066  -5.071
  102   2HG   LYS  13          1HG       LYS  13   8.703  -9.920  -6.595
  103   1HD   LYS  13          2HD       LYS  13   7.089  -7.734  -6.947
  104   2HD   LYS  13          1HD       LYS  13   8.400  -7.050  -5.987
  105   1HE   LYS  13          2HE       LYS  13   9.430  -6.848  -8.014
  106   2HE   LYS  13          1HE       LYS  13   9.820  -8.548  -7.757
  107   1HZ   LYS  13          1HZ       LYS  13   8.646  -8.950  -9.551
  108   2HZ   LYS  13          2HZ       LYS  13   8.158  -7.432  -9.687
  109   3HZ   LYS  13          3HZ       LYS  13   7.313  -8.467  -8.807
  110    H    LYS  14           H        LYS  14   7.345  -6.500  -4.509
  111    HA   LYS  14           HA       LYS  14   9.279  -7.064  -2.340
  112   1HB   LYS  14          2HB       LYS  14   9.798  -6.315  -4.992
  113   2HB   LYS  14          1HB       LYS  14  10.062  -4.856  -4.038
  114   1HG   LYS  14          2HG       LYS  14  12.131  -6.183  -4.173
  115   2HG   LYS  14          1HG       LYS  14  11.538  -6.129  -2.513
  116   1HD   LYS  14          2HD       LYS  14  10.578  -8.341  -2.713
  117   2HD   LYS  14          1HD       LYS  14  10.935  -8.388  -4.440
  118   1HE   LYS  14          2HE       LYS  14  12.920  -9.323  -3.933
  119   2HE   LYS  14          1HE       LYS  14  13.385  -7.795  -3.185
  120   1HZ   LYS  14          1HZ       LYS  14  13.495  -9.066  -1.382
  121   2HZ   LYS  14          2HZ       LYS  14  12.535 -10.214  -1.948
  122   3HZ   LYS  14          3HZ       LYS  14  11.906  -8.889  -1.309
  123    H    VAL  15           H        VAL  15   8.870  -5.937  -0.562
  124    HA   VAL  15           HA       VAL  15   8.383  -3.101  -0.840
  125    HB   VAL  15           HB       VAL  15   6.169  -4.858   0.219
  126   1HG1  VAL  15          1HG1      VAL  15   6.488  -1.904   0.783
  127   2HG1  VAL  15          2HG1      VAL  15   6.850  -3.154   1.973
  128   3HG1  VAL  15          3HG1      VAL  15   5.210  -2.974   1.351
  129   1HG2  VAL  15          1HG2      VAL  15   6.672  -2.879  -1.893
  130   2HG2  VAL  15          2HG2      VAL  15   5.126  -2.711  -1.066
  131   3HG2  VAL  15          3HG2      VAL  15   5.540  -4.227  -1.866
  132    H    ARG  16           H        ARG  16   8.878  -1.984   0.999
  133    HA   ARG  16           HA       ARG  16  10.133  -3.596   3.141
  134   1HB   ARG  16          2HB       ARG  16  11.947  -2.581   2.009
  135   2HB   ARG  16          1HB       ARG  16  11.032  -1.150   1.629
  136   1HG   ARG  16          2HG       ARG  16  11.630  -0.129   3.542
  137   2HG   ARG  16          1HG       ARG  16  11.228  -1.544   4.505
  138   1HD   ARG  16          2HD       ARG  16  13.836  -0.797   3.220
  139   2HD   ARG  16          1HD       ARG  16  13.532  -1.388   4.852
  140    HE   ARG  16           HE       ARG  16  12.844  -3.510   3.287
  141   1HH1  ARG  16          1HH2      ARG  16  15.569  -1.400   3.584
  142   2HH1  ARG  16          2HH2      ARG  16  16.709  -2.587   3.047
  143   1HH2  ARG  16          1HH1      ARG  16  14.332  -5.058   2.565
  144   2HH2  ARG  16          2HH1      ARG  16  16.012  -4.651   2.476
  145    H    GLN  17           H        GLN  17   9.682  -2.903   5.167
  146    HA   GLN  17           HA       GLN  17   8.268  -0.384   5.478
  147   1HB   GLN  17          2HB       GLN  17   6.485  -1.600   6.838
  148   2HB   GLN  17          1HB       GLN  17   6.413  -1.873   5.106
  149   1HG   GLN  17          2HG       GLN  17   7.448  -4.001   5.278
  150   2HG   GLN  17          1HG       GLN  17   7.853  -3.731   6.960
  151   1HE2  GLN  17          1HE2      GLN  17   4.829  -2.398   6.715
  152   2HE2  GLN  17          2HE2      GLN  17   3.890  -3.755   7.099
  153    H    LYS  18           H        LYS  18   9.031   0.546   7.299
  154    HA   LYS  18           HA       LYS  18  11.287  -0.053   8.522
  155   1HB   LYS  18          2HB       LYS  18   9.017   1.523   9.265
  156   2HB   LYS  18          1HB       LYS  18   9.666   0.745  10.710
  157   1HG   LYS  18          2HG       LYS  18  11.841   1.661  10.345
  158   2HG   LYS  18          1HG       LYS  18  11.428   2.171   8.708
  159   1HD   LYS  18          2HD       LYS  18  10.142   3.967   9.445
  160   2HD   LYS  18          1HD       LYS  18   9.827   3.228  11.016
  161   1HE   LYS  18          2HE       LYS  18  12.671   3.617  10.642
  162   2HE   LYS  18          1HE       LYS  18  11.809   5.138  10.410
  163   1HZ   LYS  18          1HZ       LYS  18  11.679   3.394  12.739
  164   2HZ   LYS  18          2HZ       LYS  18  10.678   4.622  12.514
  165   3HZ   LYS  18          3HZ       LYS  18  12.247   4.890  12.685
  166    H    LYS  19           H        LYS  19   8.372  -1.921   9.101
  167    HA   LYS  19           HA       LYS  19   9.494  -3.170  11.445
  168   1HB   LYS  19          2HB       LYS  19   7.533  -4.618  11.358
  169   2HB   LYS  19          1HB       LYS  19   7.025  -2.956  11.095
  170   1HG   LYS  19          2HG       LYS  19   7.065  -3.432   8.590
  171   2HG   LYS  19          1HG       LYS  19   7.338  -5.132   8.978
  172   1HD   LYS  19          2HD       LYS  19   4.923  -3.437   9.617
  173   2HD   LYS  19          1HD       LYS  19   4.999  -4.934   8.683
  174   1HE   LYS  19          2HE       LYS  19   4.207  -5.715  10.735
  175   2HE   LYS  19          1HE       LYS  19   5.945  -5.942  10.925
  176   1HZ   LYS  19          1HZ       LYS  19   4.315  -4.417  12.484
  177   2HZ   LYS  19          2HZ       LYS  19   5.217  -3.369  11.678
  178   3HZ   LYS  19          3HZ       LYS  19   5.912  -4.506  12.565
  179    H    GLN  20           H        GLN  20   8.769  -4.284   8.160
  180    HA   GLN  20           HA       GLN  20  11.063  -6.061   8.168
  181   1HB   GLN  20          2HB       GLN  20   9.474  -7.484   9.165
  182   2HB   GLN  20          1HB       GLN  20   8.176  -6.891   8.141
  183   1HG   GLN  20          2HG       GLN  20   9.147  -7.977   6.193
  184   2HG   GLN  20          1HG       GLN  20  10.572  -8.432   7.120
  185   1HE2  GLN  20          1HE2      GLN  20   9.537 -10.627   6.104
  186   2HE2  GLN  20          2HE2      GLN  20   8.543 -11.474   7.188
  187    H    ASP  21           H        ASP  21  11.200  -7.163   5.938
  188    HA   ASP  21           HA       ASP  21  10.172  -5.270   3.903
  189   1HB   ASP  21          2HB       ASP  21  12.292  -7.367   3.386
  190   2HB   ASP  21          1HB       ASP  21  12.031  -5.840   2.529
  191    H    GLY  22           H        GLY  22   8.669  -6.153   2.591
  192   1HA   GLY  22          2HA       GLY  22   8.348  -8.999   2.315
  193   2HA   GLY  22          1HA       GLY  22   7.144  -8.264   3.343
  194    H    ALA  23           H        ALA  23   6.453  -9.511   0.948
  195    HA   ALA  23           HA       ALA  23   6.122  -7.512  -1.057
  196   1HB   ALA  23          1HB       ALA  23   5.076 -10.324  -0.722
  197   2HB   ALA  23          2HB       ALA  23   6.380  -9.783  -1.776
  198   3HB   ALA  23          3HB       ALA  23   4.714  -9.327  -2.130
  199    H    LEU  24           H        LEU  24   4.602  -6.329  -1.386
  200    HA   LEU  24           HA       LEU  24   2.225  -6.267   0.393
  201   1HB   LEU  24          2HB       LEU  24   3.984  -4.279  -0.717
  202   2HB   LEU  24          1HB       LEU  24   2.330  -3.899  -1.163
  203    HG   LEU  24           HG       LEU  24   3.501  -4.242   1.595
  204   1HD1  LEU  24          1HD1      LEU  24   3.637  -1.995   1.240
  205   2HD1  LEU  24          2HD1      LEU  24   1.893  -2.001   1.503
  206   3HD1  LEU  24          3HD1      LEU  24   2.539  -2.057  -0.135
  207   1HD2  LEU  24          1HD2      LEU  24   1.504  -5.311   2.023
  208   2HD2  LEU  24          2HD2      LEU  24   0.696  -4.585   0.633
  209   3HD2  LEU  24          3HD2      LEU  24   0.930  -3.646   2.108
  210    H    TYR  25           H        TYR  25   0.180  -6.445  -0.359
  211    HA   TYR  25           HA       TYR  25  -0.238  -6.743  -3.286
  212   1HB   TYR  25          2HB       TYR  25  -1.262  -8.169  -0.861
  213   2HB   TYR  25          1HB       TYR  25  -2.371  -7.960  -2.211
  214    HD1  TYR  25           HD1      TYR  25   0.649  -9.629  -1.006
  215    HD2  TYR  25           HD2      TYR  25  -1.896  -8.974  -4.398
  216    HE1  TYR  25           HE1      TYR  25   1.672 -11.582  -2.139
  217    HE2  TYR  25           HE2      TYR  25  -0.879 -10.934  -5.538
  218    HH   TYR  25           HH       TYR  25   0.357 -12.877  -5.101
  219    H    LEU  26           H        LEU  26  -1.851  -5.263  -4.164
  220    HA   LEU  26           HA       LEU  26  -3.330  -3.772  -2.098
  221   1HB   LEU  26          2HB       LEU  26  -1.769  -2.536  -3.732
  222   2HB   LEU  26          1HB       LEU  26  -2.926  -2.975  -4.989
  223    HG   LEU  26           HG       LEU  26  -3.656  -1.488  -2.451
  224   1HD1  LEU  26          1HD1      LEU  26  -3.411   0.516  -3.565
  225   2HD1  LEU  26          2HD1      LEU  26  -3.715  -0.206  -5.146
  226   3HD1  LEU  26          3HD1      LEU  26  -2.140  -0.401  -4.375
  227   1HD2  LEU  26          1HD2      LEU  26  -5.589  -0.982  -4.316
  228   2HD2  LEU  26          2HD2      LEU  26  -5.699  -2.264  -3.111
  229   3HD2  LEU  26          3HD2      LEU  26  -5.139  -2.632  -4.742
  230    H    MET  27           H        MET  27  -5.531  -4.040  -2.111
  231    HA   MET  27           HA       MET  27  -6.686  -5.517  -4.400
  232   1HB   MET  27          2HB       MET  27  -6.787  -6.965  -2.499
  233   2HB   MET  27          1HB       MET  27  -7.283  -5.649  -1.437
  234   1HG   MET  27          2HG       MET  27  -9.468  -5.832  -2.037
  235   2HG   MET  27          1HG       MET  27  -9.071  -6.052  -3.737
  236   1HE   MET  27          1HE       MET  27 -10.581  -8.434  -4.463
  237   2HE   MET  27          2HE       MET  27 -11.183  -7.192  -3.370
  238   3HE   MET  27          3HE       MET  27 -11.374  -8.893  -2.950
  239    H    ALA  28           H        ALA  28  -8.806  -4.839  -5.015
  240    HA   ALA  28           HA       ALA  28  -9.311  -2.237  -5.375
  241   1HB   ALA  28          1HB       ALA  28 -10.898  -4.659  -5.350
  242   2HB   ALA  28          2HB       ALA  28 -11.073  -3.222  -6.363
  243   3HB   ALA  28          3HB       ALA  28 -11.854  -3.287  -4.783
  244    H    GLU  29           H        GLU  29 -10.729  -3.950  -2.465
  245    HA   GLU  29           HA       GLU  29 -11.173  -1.264  -1.388
  246   1HB   GLU  29          2HB       GLU  29 -13.106  -2.689  -1.464
  247   2HB   GLU  29          1HB       GLU  29 -12.212  -4.016  -0.722
  248   1HG   GLU  29          2HG       GLU  29 -12.564  -3.222   1.370
  249   2HG   GLU  29          1HG       GLU  29 -12.181  -1.566   0.905
  250    H    ARG  30           H        ARG  30  -8.605  -3.391  -1.150
  251    HA   ARG  30           HA       ARG  30  -7.999  -2.250   1.443
  252   1HB   ARG  30          2HB       ARG  30  -8.111  -4.100   2.787
  253   2HB   ARG  30          1HB       ARG  30  -9.481  -4.397   1.729
  254   1HG   ARG  30          2HG       ARG  30  -7.263  -5.529   0.416
  255   2HG   ARG  30          1HG       ARG  30  -7.080  -5.967   2.116
  256   1HD   ARG  30          2HD       ARG  30  -8.457  -7.642   0.957
  257   2HD   ARG  30          1HD       ARG  30  -9.427  -6.769   2.140
  258    HE   ARG  30           HE       ARG  30  -9.656  -5.366  -0.252
  259   1HH1  ARG  30          1HH2      ARG  30 -10.240  -8.557   0.944
  260   2HH1  ARG  30          2HH2      ARG  30 -11.557  -8.859  -0.138
  261   1HH2  ARG  30          1HH1      ARG  30 -11.376  -5.752  -1.662
  262   2HH2  ARG  30          2HH1      ARG  30 -12.199  -7.275  -1.611
  263    H    ILE  31           H        ILE  31  -5.931  -2.948   2.308
  264    HA   ILE  31           HA       ILE  31  -4.026  -3.512   0.107
  265    HB   ILE  31           HB       ILE  31  -3.965  -1.747   2.527
  266   1HG1  ILE  31          2HG1      ILE  31  -4.251  -1.013   0.100
  267   2HG1  ILE  31          1HG1      ILE  31  -2.965  -0.206   0.999
  268   1HG2  ILE  31          1HG2      ILE  31  -1.450  -2.953   1.323
  269   2HG2  ILE  31          2HG2      ILE  31  -2.106  -3.383   2.903
  270   3HG2  ILE  31          3HG2      ILE  31  -1.523  -1.745   2.605
  271   1HD1  ILE  31          1HD1      ILE  31  -2.184  -0.895  -1.241
  272   2HD1  ILE  31          2HD1      ILE  31  -2.588  -2.570  -0.864
  273   3HD1  ILE  31          3HD1      ILE  31  -1.307  -1.750   0.028
  274    H    ALA  32           H        ALA  32  -2.655  -5.294   0.362
  275    HA   ALA  32           HA       ALA  32  -2.950  -6.773   2.903
  276   1HB   ALA  32          1HB       ALA  32  -2.591  -8.824   1.364
  277   2HB   ALA  32          2HB       ALA  32  -3.056  -7.731   0.061
  278   3HB   ALA  32          3HB       ALA  32  -4.181  -8.059   1.379
  279    H    TRP  33           H        TRP  33  -1.211  -7.958   3.603
  280    HA   TRP  33           HA       TRP  33   1.340  -7.319   2.222
  281   1HB   TRP  33          2HB       TRP  33   1.040  -6.044   4.361
  282   2HB   TRP  33          1HB       TRP  33   1.054  -7.584   5.202
  283    HD1  TRP  33           HD1      TRP  33   3.201  -6.487   2.230
  284    HE1  TRP  33           HE1      TRP  33   5.662  -6.648   2.953
  285    HE3  TRP  33           HE3      TRP  33   2.722  -8.024   7.087
  286    HZ2  TRP  33           HZ2      TRP  33   7.229  -7.334   5.115
  287    HZ3  TRP  33           HZ3      TRP  33   4.753  -8.477   8.430
  288    HH2  TRP  33           HH2      TRP  33   7.009  -8.154   7.437
  289    H    ALA  34           H        ALA  34   2.833  -8.919   2.115
  290    HA   ALA  34           HA       ALA  34   2.403 -11.406   3.526
  291   1HB   ALA  34          1HB       ALA  34   1.950 -11.094   0.601
  292   2HB   ALA  34          2HB       ALA  34   1.090 -12.089   1.780
  293   3HB   ALA  34          3HB       ALA  34   2.678 -12.588   1.197
  294    HA   PRO  35           HA       PRO  35   6.759 -10.877   3.251
  295   1HB   PRO  35          2HB       PRO  35   7.218 -13.334   4.671
  296   2HB   PRO  35          1HB       PRO  35   7.356 -11.681   5.285
  297   1HG   PRO  35          2HG       PRO  35   5.311 -13.615   5.887
  298   2HG   PRO  35          1HG       PRO  35   5.453 -11.960   6.494
  299   1HD   PRO  35          2HD       PRO  35   3.565 -12.977   4.575
  300   2HD   PRO  35          1HD       PRO  35   3.716 -11.318   5.182
  301    H    GLU  36           H        GLU  36   8.632 -12.759   2.876
  302    HA   GLU  36           HA       GLU  36   7.632 -14.300   0.554
  303   1HB   GLU  36          2HB       GLU  36   9.393 -12.329   0.346
  304   2HB   GLU  36          1HB       GLU  36  10.519 -13.578   0.879
  305   1HG   GLU  36          2HG       GLU  36  10.605 -13.982  -1.386
  306   2HG   GLU  36          1HG       GLU  36   9.214 -14.992  -0.989
  307    H    GLY  37           H        GLY  37   7.571 -15.296   3.264
  308   1HA   GLY  37          2HA       GLY  37   9.114 -17.708   2.837
  309   2HA   GLY  37          1HA       GLY  37   9.651 -16.749   4.218
  310    H    LYS  38           H        LYS  38   7.265 -15.795   5.227
  311    HA   LYS  38           HA       LYS  38   6.267 -18.134   6.552
  312   1HB   LYS  38          2HB       LYS  38   6.403 -15.495   7.206
  313   2HB   LYS  38          1HB       LYS  38   4.711 -15.623   6.723
  314   1HG   LYS  38          2HG       LYS  38   4.172 -16.996   8.475
  315   2HG   LYS  38          1HG       LYS  38   5.744 -17.797   8.464
  316   1HD   LYS  38          2HD       LYS  38   5.765 -14.928   9.216
  317   2HD   LYS  38          1HD       LYS  38   5.002 -16.019  10.373
  318   1HE   LYS  38          2HE       LYS  38   7.173 -16.236  11.097
  319   2HE   LYS  38          1HE       LYS  38   7.200 -17.467   9.834
  320   1HZ   LYS  38          1HZ       LYS  38   8.475 -16.182   8.564
  321   2HZ   LYS  38          2HZ       LYS  38   8.878 -15.452   9.929
  322   3HZ   LYS  38          3HZ       LYS  38   7.764 -14.808   8.978
  323    H    ASP  39           H        ASP  39   3.464 -17.061   6.610
  324    HA   ASP  39           HA       ASP  39   2.537 -18.515   4.274
  325   1HB   ASP  39          2HB       ASP  39   1.560 -18.066   6.866
  326   2HB   ASP  39          1HB       ASP  39   0.471 -17.170   5.808
  327    H    ARG  40           H        ARG  40   2.358 -17.471   2.405
  328    HA   ARG  40           HA       ARG  40   2.735 -15.088   1.488
  329   1HB   ARG  40          2HB       ARG  40   0.428 -15.289   0.179
  330   2HB   ARG  40          1HB       ARG  40   1.784 -16.368  -0.150
  331   1HG   ARG  40          2HG       ARG  40   0.862 -18.067   1.330
  332   2HG   ARG  40          1HG       ARG  40  -0.444 -16.984   1.813
  333   1HD   ARG  40          2HD       ARG  40  -0.589 -16.978  -0.957
  334   2HD   ARG  40          1HD       ARG  40  -0.199 -18.654  -0.580
  335    HE   ARG  40           HE       ARG  40  -2.713 -17.463  -0.285
  336   1HH1  ARG  40          1HH2      ARG  40  -0.473 -19.347   1.571
  337   2HH1  ARG  40          2HH2      ARG  40  -1.661 -19.825   2.732
  338   1HH2  ARG  40          1HH1      ARG  40  -4.252 -18.110   1.210
  339   2HH2  ARG  40          2HH1      ARG  40  -3.792 -19.139   2.525
  340    H    PHE  41           H        PHE  41  -0.664 -15.008   1.613
  341    HA   PHE  41           HA       PHE  41  -0.854 -12.364   2.283
  342   1HB   PHE  41          2HB       PHE  41  -2.765 -14.652   2.716
  343   2HB   PHE  41          1HB       PHE  41  -3.196 -12.982   3.116
  344    HD1  PHE  41           HD1      PHE  41  -3.666 -15.256   0.631
  345    HD2  PHE  41           HD2      PHE  41  -2.022 -11.324   1.179
  346    HE1  PHE  41           HE1      PHE  41  -4.011 -14.779  -1.778
  347    HE2  PHE  41           HE2      PHE  41  -2.370 -10.843  -1.235
  348    HZ   PHE  41           HZ       PHE  41  -3.360 -12.576  -2.708
  349    H    THR  42           H        THR  42  -0.275 -11.278   3.996
  350    HA   THR  42           HA       THR  42  -0.346 -12.614   6.626
  351    HB   THR  42           HB       THR  42   1.918 -11.841   5.245
  352    HG1  THR  42           HG1      THR  42   2.665 -12.763   6.952
  353   1HG2  THR  42          1HG2      THR  42   1.740  -9.740   7.361
  354   2HG2  THR  42          2HG2      THR  42   1.000  -9.414   5.792
  355   3HG2  THR  42          3HG2      THR  42   2.716  -9.795   5.893
  356    H    ILE  43           H        ILE  43  -1.377 -10.000   4.708
  357    HA   ILE  43           HA       ILE  43  -2.651  -8.823   7.064
  358    HB   ILE  43           HB       ILE  43  -0.233  -7.778   6.127
  359   1HG1  ILE  43          2HG1      ILE  43  -2.364  -6.895   8.039
  360   2HG1  ILE  43          1HG1      ILE  43  -0.767  -7.560   8.387
  361   1HG2  ILE  43          1HG2      ILE  43  -0.610  -5.711   5.130
  362   2HG2  ILE  43          2HG2      ILE  43  -2.243  -5.586   5.773
  363   3HG2  ILE  43          3HG2      ILE  43  -1.919  -6.623   4.398
  364   1HD1  ILE  43          1HD1      ILE  43  -0.105  -5.409   8.657
  365   2HD1  ILE  43          2HD1      ILE  43  -1.561  -4.793   7.876
  366   3HD1  ILE  43          3HD1      ILE  43  -0.186  -5.303   6.894
  367    H    SER  44           H        SER  44  -4.296  -7.303   6.580
  368    HA   SER  44           HA       SER  44  -4.962  -6.685   3.868
  369   1HB   SER  44          2HB       SER  44  -6.936  -7.997   3.620
  370   2HB   SER  44          1HB       SER  44  -5.703  -9.120   4.187
  371    HG   SER  44           HG       SER  44  -6.857  -9.419   5.908
  372    H    HIS  45           H        HIS  45  -5.308  -4.542   4.437
  373    HA   HIS  45           HA       HIS  45  -7.235  -4.062   6.633
  374   1HB   HIS  45          2HB       HIS  45  -6.040  -1.636   5.734
  375   2HB   HIS  45          1HB       HIS  45  -5.912  -2.384   7.321
  376    HD1  HIS  45           HD1      HIS  45  -3.551  -2.789   7.965
  377    HD2  HIS  45           HD2      HIS  45  -4.047  -3.053   3.844
  378    HE1  HIS  45           HE1      HIS  45  -1.249  -3.187   6.987
  379    H    MET  46           H        MET  46  -9.238  -3.654   5.866
  380    HA   MET  46           HA       MET  46  -9.786  -3.060   3.159
  381   1HB   MET  46          2HB       MET  46 -11.268  -3.534   5.593
  382   2HB   MET  46          1HB       MET  46 -11.962  -2.182   4.701
  383   1HG   MET  46          2HG       MET  46 -12.879  -3.615   3.231
  384   2HG   MET  46          1HG       MET  46 -11.274  -4.220   2.818
  385   1HE   MET  46          1HE       MET  46 -13.791  -5.412   2.562
  386   2HE   MET  46          2HE       MET  46 -14.574  -6.262   3.892
  387   3HE   MET  46          3HE       MET  46 -13.379  -7.098   2.904
  388    H    TYR  47           H        TYR  47  -9.351  -1.206   2.204
  389    HA   TYR  47           HA       TYR  47  -8.459   1.158   3.192
  390   1HB   TYR  47          2HB       TYR  47 -10.217   0.524   0.826
  391   2HB   TYR  47          1HB       TYR  47  -9.860   2.198   1.214
  392    HD1  TYR  47           HD1      TYR  47  -7.023   0.744   2.463
  393    HD2  TYR  47           HD2      TYR  47  -8.947   1.279  -1.351
  394    HE1  TYR  47           HE1      TYR  47  -4.851   0.557   1.327
  395    HE2  TYR  47           HE2      TYR  47  -6.776   1.103  -2.454
  396    HH   TYR  47           HH       TYR  47  -3.762   0.836  -0.621
  397    H    ALA  48           H        ALA  48 -11.979   0.341   2.958
  398    HA   ALA  48           HA       ALA  48 -12.792   2.816   4.177
  399   1HB   ALA  48          1HB       ALA  48 -14.155   0.132   3.830
  400   2HB   ALA  48          2HB       ALA  48 -14.440   1.610   2.910
  401   3HB   ALA  48          3HB       ALA  48 -14.942   1.512   4.598
  402    H    ASP  49           H        ASP  49 -12.020  -0.366   5.258
  403    HA   ASP  49           HA       ASP  49 -12.682  -0.051   8.031
  404   1HB   ASP  49          2HB       ASP  49 -10.805  -1.973   6.626
  405   2HB   ASP  49          1HB       ASP  49 -11.254  -2.087   8.328
  406    H    ILE  50           H        ILE  50 -10.381   1.411   6.188
  407    HA   ILE  50           HA       ILE  50  -8.760   1.976   8.586
  408    HB   ILE  50           HB       ILE  50  -6.713   1.869   7.232
  409   1HG1  ILE  50          2HG1      ILE  50  -8.675   1.126   5.051
  410   2HG1  ILE  50          1HG1      ILE  50  -7.542   2.478   5.060
  411   1HG2  ILE  50          1HG2      ILE  50  -6.546  -0.356   7.614
  412   2HG2  ILE  50          2HG2      ILE  50  -7.830  -0.723   6.464
  413   3HG2  ILE  50          3HG2      ILE  50  -8.234  -0.276   8.120
  414   1HD1  ILE  50          1HD1      ILE  50  -7.095  -0.276   4.253
  415   2HD1  ILE  50          2HD1      ILE  50  -5.958   0.208   5.511
  416   3HD1  ILE  50          3HD1      ILE  50  -6.064   1.136   4.016
  417    H    LYS  51           H        LYS  51  -8.411   4.338   8.782
  418    HA   LYS  51           HA       LYS  51  -8.588   5.750   6.231
  419   1HB   LYS  51          2HB       LYS  51 -10.911   5.532   7.495
  420   2HB   LYS  51          1HB       LYS  51 -10.269   6.935   8.357
  421   1HG   LYS  51          2HG       LYS  51 -10.207   6.716   5.346
  422   2HG   LYS  51          1HG       LYS  51 -11.538   7.492   6.213
  423   1HD   LYS  51          2HD       LYS  51  -8.602   8.280   6.324
  424   2HD   LYS  51          1HD       LYS  51  -9.892   9.175   5.522
  425   1HE   LYS  51          2HE       LYS  51 -11.057   9.343   7.760
  426   2HE   LYS  51          1HE       LYS  51  -9.600   8.675   8.493
  427   1HZ   LYS  51          1HZ       LYS  51  -8.414  10.522   7.431
  428   2HZ   LYS  51          2HZ       LYS  51  -9.455  11.004   8.545
  429   3HZ   LYS  51          3HZ       LYS  51  -9.814  11.164   6.994
  430    H    CYS  52           H        CYS  52  -6.752   6.673   6.288
  431    HA   CYS  52           HA       CYS  52  -6.305   9.077   7.498
  432   1HB   CYS  52          2HB       CYS  52  -6.068   7.482   9.557
  433   2HB   CYS  52          1HB       CYS  52  -4.497   7.118   8.851
  434    HG   CYS  52           HG       CYS  52  -4.649   9.331  10.547
  435    H    GLN  53           H        GLN  53  -4.698   9.967   6.229
  436    HA   GLN  53           HA       GLN  53  -2.787   8.036   5.061
  437   1HB   GLN  53          2HB       GLN  53  -4.734   9.784   3.589
  438   2HB   GLN  53          1HB       GLN  53  -3.222   9.286   2.828
  439   1HG   GLN  53          2HG       GLN  53  -4.096   6.916   3.885
  440   2HG   GLN  53          1HG       GLN  53  -5.622   7.690   3.459
  441   1HE2  GLN  53          1HE2      GLN  53  -5.471   5.712   1.829
  442   2HE2  GLN  53          2HE2      GLN  53  -4.750   6.056   0.331
  443    H    LYS  54           H        LYS  54  -0.845   8.724   5.245
  444    HA   LYS  54           HA       LYS  54  -0.228  11.598   5.005
  445   1HB   LYS  54          2HB       LYS  54   0.141  11.376   7.284
  446   2HB   LYS  54          1HB       LYS  54   0.397   9.635   7.173
  447   1HG   LYS  54          2HG       LYS  54   2.639   9.856   6.825
  448   2HG   LYS  54          1HG       LYS  54   2.448  11.304   5.834
  449   1HD   LYS  54          2HD       LYS  54   1.757  11.583   8.712
  450   2HD   LYS  54          1HD       LYS  54   3.468  11.371   8.337
  451   1HE   LYS  54          2HE       LYS  54   2.760  13.195   6.440
  452   2HE   LYS  54          1HE       LYS  54   1.679  13.654   7.755
  453   1HZ   LYS  54          1HZ       LYS  54   4.567  13.638   7.719
  454   2HZ   LYS  54          2HZ       LYS  54   3.812  13.449   9.117
  455   3HZ   LYS  54          3HZ       LYS  54   3.574  14.775   8.253
  456    H    ILE  55           H        ILE  55   0.954  11.686   3.115
  457    HA   ILE  55           HA       ILE  55   2.958   9.550   2.714
  458    HB   ILE  55           HB       ILE  55   2.460   9.608   0.302
  459   1HG1  ILE  55          2HG1      ILE  55  -0.028  10.802   0.102
  460   2HG1  ILE  55          1HG1      ILE  55   0.844  11.903   1.170
  461   1HG2  ILE  55          1HG2      ILE  55  -0.262   9.197   1.346
  462   2HG2  ILE  55          2HG2      ILE  55   0.991   8.376   2.277
  463   3HG2  ILE  55          3HG2      ILE  55   0.822   8.056   0.550
  464   1HD1  ILE  55          1HD1      ILE  55   1.509  12.749  -0.877
  465   2HD1  ILE  55          2HD1      ILE  55   1.407  11.180  -1.676
  466   3HD1  ILE  55          3HD1      ILE  55   2.777  11.548  -0.627
  467    H    SER  56           H        SER  56   4.810  10.704   3.119
  468    HA   SER  56           HA       SER  56   5.093  13.236   1.627
  469   1HB   SER  56          2HB       SER  56   5.499  12.636   4.406
  470   2HB   SER  56          1HB       SER  56   7.035  13.102   3.680
  471    HG   SER  56           HG       SER  56   5.901  14.936   2.803
  472    HA   PRO  57           HA       PRO  57   8.608  10.192   0.848
  473   1HB   PRO  57          2HB       PRO  57   7.543   9.104  -1.614
  474   2HB   PRO  57          1HB       PRO  57   8.089   8.267  -0.159
  475   1HG   PRO  57          2HG       PRO  57   5.412   8.590  -1.043
  476   2HG   PRO  57          1HG       PRO  57   5.945   7.839   0.453
  477   1HD   PRO  57          2HD       PRO  57   4.654  10.405   0.119
  478   2HD   PRO  57          1HD       PRO  57   5.138   9.600   1.623
  479    H    GLU  58           H        GLU  58   6.664  12.477  -0.705
  480    HA   GLU  58           HA       GLU  58   8.119  12.920  -3.093
  481   1HB   GLU  58          2HB       GLU  58   5.921  13.944  -2.688
  482   2HB   GLU  58          1HB       GLU  58   6.588  14.870  -1.342
  483   1HG   GLU  58          2HG       GLU  58   6.542  16.324  -3.269
  484   2HG   GLU  58          1HG       GLU  58   8.226  15.893  -2.969
  485    H    GLY  59           H        GLY  59   8.938  13.328   0.196
  486   1HA   GLY  59          2HA       GLY  59  11.270  14.957  -0.611
  487   2HA   GLY  59          1HA       GLY  59  10.426  15.228   0.917
  488    H    LYS  60           H        LYS  60  10.768  12.008  -0.345
  489    HA   LYS  60           HA       LYS  60  12.591  11.400   1.898
  490   1HB   LYS  60          2HB       LYS  60  10.575   9.730   0.343
  491   2HB   LYS  60          1HB       LYS  60  11.778   8.991   1.403
  492   1HG   LYS  60          2HG       LYS  60   9.743  11.081   2.243
  493   2HG   LYS  60          1HG       LYS  60   9.656   9.357   2.604
  494   1HD   LYS  60          2HD       LYS  60  11.741  11.331   3.564
  495   2HD   LYS  60          1HD       LYS  60  10.584  10.432   4.546
  496   1HE   LYS  60          2HE       LYS  60  11.789   8.365   3.308
  497   2HE   LYS  60          1HE       LYS  60  13.126   9.516   3.300
  498   1HZ   LYS  60          1HZ       LYS  60  13.417   9.012   5.400
  499   2HZ   LYS  60          2HZ       LYS  60  12.133   8.058   5.439
  500   3HZ   LYS  60          3HZ       LYS  60  11.982   9.615   5.775
  501    H    ALA  61           H        ALA  61  12.468   8.946  -0.350
  502    HA   ALA  61           HA       ALA  61  14.479   9.926  -2.168
  503   1HB   ALA  61          1HB       ALA  61  16.277   8.617  -1.454
  504   2HB   ALA  61          2HB       ALA  61  15.242   7.507  -0.557
  505   3HB   ALA  61          3HB       ALA  61  15.581   9.113   0.089
  506    H    LYS  62           H        LYS  62  11.945   7.937  -1.264
  507    HA   LYS  62           HA       LYS  62  11.904   6.620  -3.795
  508   1HB   LYS  62          2HB       LYS  62  11.425   4.415  -2.356
  509   2HB   LYS  62          1HB       LYS  62  12.991   4.852  -3.001
  510   1HG   LYS  62          2HG       LYS  62  13.204   4.296  -0.604
  511   2HG   LYS  62          1HG       LYS  62  13.634   5.967  -0.921
  512   1HD   LYS  62          2HD       LYS  62  11.460   6.730  -0.123
  513   2HD   LYS  62          1HD       LYS  62  10.922   5.077   0.082
  514   1HE   LYS  62          2HE       LYS  62  11.593   5.828   2.250
  515   2HE   LYS  62          1HE       LYS  62  12.871   4.755   1.679
  516   1HZ   LYS  62          1HZ       LYS  62  14.267   6.464   1.477
  517   2HZ   LYS  62          2HZ       LYS  62  13.328   7.170   2.563
  518   3HZ   LYS  62          3HZ       LYS  62  13.154   7.517   1.010
  519    H    ILE  63           H        ILE  63  10.099   5.194  -1.398
  520    HA   ILE  63           HA       ILE  63   7.933   7.045  -1.474
  521    HB   ILE  63           HB       ILE  63   6.994   6.530  -3.382
  522   1HG1  ILE  63          2HG1      ILE  63   6.738   3.615  -2.625
  523   2HG1  ILE  63          1HG1      ILE  63   5.741   4.863  -1.869
  524   1HG2  ILE  63          1HG2      ILE  63   9.074   4.341  -3.496
  525   2HG2  ILE  63          2HG2      ILE  63   9.021   5.853  -4.402
  526   3HG2  ILE  63          3HG2      ILE  63   7.890   4.560  -4.783
  527   1HD1  ILE  63          1HD1      ILE  63   5.983   4.659  -4.862
  528   2HD1  ILE  63          2HD1      ILE  63   4.734   5.462  -3.919
  529   3HD1  ILE  63          3HD1      ILE  63   4.796   3.700  -3.979
  530    H    GLN  64           H        GLN  64   7.981   6.788   0.773
  531    HA   GLN  64           HA       GLN  64   6.918   4.194   1.752
  532   1HB   GLN  64          2HB       GLN  64   7.696   5.003   3.996
  533   2HB   GLN  64          1HB       GLN  64   9.016   4.796   2.844
  534   1HG   GLN  64          2HG       GLN  64   9.106   7.163   2.403
  535   2HG   GLN  64          1HG       GLN  64   7.625   7.443   3.318
  536   1HE2  GLN  64          1HE2      GLN  64   8.140   8.402   5.286
  537   2HE2  GLN  64          2HE2      GLN  64   9.468   7.985   6.257
  538    H    LEU  65           H        LEU  65   4.804   4.258   2.534
  539    HA   LEU  65           HA       LEU  65   3.701   6.968   2.898
  540   1HB   LEU  65          2HB       LEU  65   1.542   6.090   2.052
  541   2HB   LEU  65          1HB       LEU  65   2.841   6.016   0.870
  542    HG   LEU  65           HG       LEU  65   1.349   3.969   1.004
  543   1HD1  LEU  65          1HD1      LEU  65   3.962   2.843   1.634
  544   2HD1  LEU  65          2HD1      LEU  65   4.048   4.197   0.504
  545   3HD1  LEU  65          3HD1      LEU  65   3.039   2.799   0.133
  546   1HD2  LEU  65          1HD2      LEU  65   1.504   2.441   2.790
  547   2HD2  LEU  65          2HD2      LEU  65   1.341   4.011   3.578
  548   3HD2  LEU  65          3HD2      LEU  65   2.922   3.243   3.459
  549    H    GLN  66           H        GLN  66   1.573   6.922   4.204
  550    HA   GLN  66           HA       GLN  66   1.711   4.920   6.363
  551   1HB   GLN  66          2HB       GLN  66   2.638   7.565   6.602
  552   2HB   GLN  66          1HB       GLN  66   1.064   7.542   7.400
  553   1HG   GLN  66          2HG       GLN  66   1.728   5.729   8.835
  554   2HG   GLN  66          1HG       GLN  66   3.217   5.478   7.923
  555   1HE2  GLN  66          1HE2      GLN  66   4.846   6.102   9.383
  556   2HE2  GLN  66          2HE2      GLN  66   4.889   7.599  10.183
  557    H    LEU  67           H        LEU  67  -0.267   4.214   6.924
  558    HA   LEU  67           HA       LEU  67  -2.643   5.851   6.255
  559   1HB   LEU  67          2HB       LEU  67  -2.117   3.924   4.597
  560   2HB   LEU  67          1HB       LEU  67  -2.552   2.845   5.920
  561    HG   LEU  67           HG       LEU  67  -4.445   5.064   5.307
  562   1HD1  LEU  67          1HD1      LEU  67  -3.662   2.966   3.384
  563   2HD1  LEU  67          2HD1      LEU  67  -4.505   4.490   3.106
  564   3HD1  LEU  67          3HD1      LEU  67  -5.400   3.079   3.679
  565   1HD2  LEU  67          1HD2      LEU  67  -5.616   3.800   6.758
  566   2HD2  LEU  67          2HD2      LEU  67  -4.386   2.536   6.707
  567   3HD2  LEU  67          3HD2      LEU  67  -5.690   2.547   5.520
  568    H    VAL  68           H        VAL  68  -4.326   5.609   7.832
  569    HA   VAL  68           HA       VAL  68  -3.520   3.861  10.061
  570    HB   VAL  68           HB       VAL  68  -5.053   6.385  10.570
  571   1HG1  VAL  68          1HG1      VAL  68  -3.865   6.027  12.791
  572   2HG1  VAL  68          2HG1      VAL  68  -3.362   4.461  12.160
  573   3HG1  VAL  68          3HG1      VAL  68  -5.079   4.817  12.382
  574   1HG2  VAL  68          1HG2      VAL  68  -2.140   6.181  11.092
  575   2HG2  VAL  68          2HG2      VAL  68  -3.108   7.615  10.747
  576   3HG2  VAL  68          3HG2      VAL  68  -2.634   6.533   9.437
  577    H    LEU  69           H        LEU  69  -5.178   3.137  11.376
  578    HA   LEU  69           HA       LEU  69  -7.452   2.294   9.785
  579   1HB   LEU  69          2HB       LEU  69  -6.464   1.513  12.538
  580   2HB   LEU  69          1HB       LEU  69  -7.665   0.635  11.615
  581    HG   LEU  69           HG       LEU  69  -4.868   0.245  11.590
  582   1HD1  LEU  69          1HD1      LEU  69  -5.527  -1.187   9.489
  583   2HD1  LEU  69          2HD1      LEU  69  -7.164  -0.786  10.022
  584   3HD1  LEU  69          3HD1      LEU  69  -6.067  -1.640  11.109
  585   1HD2  LEU  69          1HD2      LEU  69  -5.774   1.658   9.101
  586   2HD2  LEU  69          2HD2      LEU  69  -4.489   0.455   9.045
  587   3HD2  LEU  69          3HD2      LEU  69  -4.298   1.898  10.038
  588    H    HIS  70           H        HIS  70  -9.649   2.689  10.445
  589    HA   HIS  70           HA       HIS  70 -10.323   5.092  11.642
  590   1HB   HIS  70          2HB       HIS  70 -11.755   2.416  11.664
  591   2HB   HIS  70          1HB       HIS  70 -12.473   3.873  12.351
  592    HD1  HIS  70           HD1      HIS  70 -13.488   5.543  10.746
  593    HD2  HIS  70           HD2      HIS  70 -11.254   2.618   8.786
  594    HE1  HIS  70           HE1      HIS  70 -13.912   5.854   8.269
  595    H    ALA  71           H        ALA  71  -9.407   2.057  12.940
  596    HA   ALA  71           HA       ALA  71  -9.870   2.699  15.720
  597   1HB   ALA  71          1HB       ALA  71  -9.094   0.558  16.175
  598   2HB   ALA  71          2HB       ALA  71  -7.914   0.598  14.865
  599   3HB   ALA  71          3HB       ALA  71  -9.622   0.343  14.506
  600    H    GLY  72           H        GLY  72  -7.223   1.720  16.580
  601   1HA   GLY  72          2HA       GLY  72  -5.701   4.184  16.025
  602   2HA   GLY  72          1HA       GLY  72  -5.628   3.276  17.538
  603    H    ASP  73           H        ASP  73  -5.413   2.380  14.160
  604    HA   ASP  73           HA       ASP  73  -2.786   1.153  14.776
  605   1HB   ASP  73          2HB       ASP  73  -5.184  -0.020  13.415
  606   2HB   ASP  73          1HB       ASP  73  -3.574  -0.544  12.919
  607    H    THR  74           H        THR  74  -1.223   1.602  13.363
  608    HA   THR  74           HA       THR  74  -1.993   3.247  11.041
  609    HB   THR  74           HB       THR  74   0.844   3.094  11.872
  610    HG1  THR  74           HG1      THR  74  -0.907   4.688  13.380
  611   1HG2  THR  74          1HG2      THR  74  -0.923   4.814  10.418
  612   2HG2  THR  74          2HG2      THR  74   0.828   4.938  10.592
  613   3HG2  THR  74          3HG2      THR  74  -0.232   5.727  11.760
  614    H    THR  75           H        THR  75  -0.707   2.927   9.069
  615    HA   THR  75           HA       THR  75   0.430   0.227   8.860
  616    HB   THR  75           HB       THR  75  -1.197   1.409   6.627
  617    HG1  THR  75           HG1      THR  75  -2.106   0.342   9.033
  618   1HG2  THR  75          1HG2      THR  75  -1.456  -0.915   6.007
  619   2HG2  THR  75          2HG2      THR  75  -0.760  -1.445   7.538
  620   3HG2  THR  75          3HG2      THR  75   0.250  -0.626   6.347
  621    H    ASN  76           H        ASN  76   2.569   0.809   8.464
  622    HA   ASN  76           HA       ASN  76   2.990   3.073   6.612
  623   1HB   ASN  76          2HB       ASN  76   4.933   1.795   8.560
  624   2HB   ASN  76          1HB       ASN  76   5.225   3.236   7.587
  625   1HD2  ASN  76          1HD2      ASN  76   5.554   3.831  10.153
  626   2HD2  ASN  76          2HD2      ASN  76   4.195   4.576  10.846
  627    H    PHE  77           H        PHE  77   4.106   2.665   4.708
  628    HA   PHE  77           HA       PHE  77   5.369   0.043   4.458
  629   1HB   PHE  77          2HB       PHE  77   2.772   0.653   3.392
  630   2HB   PHE  77          1HB       PHE  77   3.911   0.348   2.084
  631    HD1  PHE  77           HD1      PHE  77   5.783  -1.502   3.144
  632    HD2  PHE  77           HD2      PHE  77   1.549  -1.366   3.783
  633    HE1  PHE  77           HE1      PHE  77   5.794  -3.908   3.606
  634    HE2  PHE  77           HE2      PHE  77   1.551  -3.791   4.238
  635    HZ   PHE  77           HZ       PHE  77   3.701  -5.042   4.139
  636    H    HIS  78           H        HIS  78   6.797  -0.104   2.805
  637    HA   HIS  78           HA       HIS  78   7.409   2.354   1.291
  638   1HB   HIS  78          2HB       HIS  78   8.762   2.613   3.243
  639   2HB   HIS  78          1HB       HIS  78   9.277   0.936   3.205
  640    HD1  HIS  78           HD1      HIS  78  10.566   0.278   0.893
  641    HD2  HIS  78           HD2      HIS  78  10.522   4.316   1.861
  642    HE1  HIS  78           HE1      HIS  78  12.448   1.334  -0.365
  643    H    PHE  79           H        PHE  79   8.814   2.109  -0.419
  644    HA   PHE  79           HA       PHE  79   9.573  -0.611  -1.311
  645   1HB   PHE  79          2HB       PHE  79   8.470   1.335  -3.265
  646   2HB   PHE  79          1HB       PHE  79   8.548  -0.410  -3.396
  647    HD1  PHE  79           HD1      PHE  79   6.839   2.267  -1.361
  648    HD2  PHE  79           HD2      PHE  79   6.590  -1.588  -3.223
  649    HE1  PHE  79           HE1      PHE  79   4.402   2.172  -0.842
  650    HE2  PHE  79           HE2      PHE  79   4.186  -1.694  -2.674
  651    HZ   PHE  79           HZ       PHE  79   3.102   0.153  -1.493
  652    H    SER  80           H        SER  80  11.735  -0.387  -2.485
  653    HA   SER  80           HA       SER  80  12.338   1.933  -3.886
  654   1HB   SER  80          2HB       SER  80  12.511   2.936  -1.581
  655   2HB   SER  80          1HB       SER  80  13.834   1.808  -1.284
  656    HG   SER  80           HG       SER  80  14.754   3.656  -2.051
  657    H    ASN  81           H        ASN  81  12.557  -0.810  -4.278
  658    HA   ASN  81           HA       ASN  81  14.815  -2.190  -3.757
  659   1HB   ASN  81          2HB       ASN  81  13.106  -1.922  -6.151
  660   2HB   ASN  81          1HB       ASN  81  14.707  -2.611  -6.436
  661   1HD2  ASN  81          1HD2      ASN  81  13.185  -2.971  -3.301
  662   2HD2  ASN  81          2HD2      ASN  81  12.867  -4.621  -3.448
  663    H    GLU  82           H        GLU  82  16.927  -2.361  -4.743
  664    HA   GLU  82           HA       GLU  82  18.397  -0.047  -4.876
  665   1HB   GLU  82          2HB       GLU  82  19.424  -2.278  -4.821
  666   2HB   GLU  82          1HB       GLU  82  18.848  -2.596  -6.457
  667   1HG   GLU  82          2HG       GLU  82  20.940  -1.832  -7.007
  668   2HG   GLU  82          1HG       GLU  82  20.131  -0.268  -6.901
  669    H    SER  83           H        SER  83  16.920  -1.786  -7.647
  670    HA   SER  83           HA       SER  83  17.185   0.753  -9.137
  671   1HB   SER  83          2HB       SER  83  17.088  -2.028 -10.314
  672   2HB   SER  83          1HB       SER  83  17.465  -0.523 -11.149
  673    HG   SER  83           HG       SER  83  19.367  -0.393 -10.034
  674    H    THR  84           H        THR  84  14.888  -1.176  -7.612
  675    HA   THR  84           HA       THR  84  12.917  -0.486  -9.714
  676    HB   THR  84           HB       THR  84  13.217  -2.794  -7.838
  677    HG1  THR  84           HG1      THR  84  12.736  -3.879  -9.651
  678   1HG2  THR  84          1HG2      THR  84  11.098  -2.051  -7.057
  679   2HG2  THR  84          2HG2      THR  84  10.758  -3.317  -8.235
  680   3HG2  THR  84          3HG2      THR  84  10.568  -1.623  -8.681
  681    H    ALA  85           H        ALA  85  14.066   1.283  -7.689
  682    HA   ALA  85           HA       ALA  85  11.846   1.702  -5.808
  683   1HB   ALA  85          1HB       ALA  85  14.324   3.414  -6.120
  684   2HB   ALA  85          2HB       ALA  85  14.353   1.920  -5.193
  685   3HB   ALA  85          3HB       ALA  85  13.300   3.243  -4.697
  686    H    VAL  86           H        VAL  86  10.693   2.164  -8.169
  687    HA   VAL  86           HA       VAL  86  10.524   5.070  -8.203
  688    HB   VAL  86           HB       VAL  86  11.048   5.322 -10.556
  689   1HG1  VAL  86          1HG1      VAL  86  12.925   5.324  -8.911
  690   2HG1  VAL  86          2HG1      VAL  86  13.424   4.776 -10.511
  691   3HG1  VAL  86          3HG1      VAL  86  13.160   3.604  -9.221
  692   1HG2  VAL  86          1HG2      VAL  86  10.326   2.658 -10.744
  693   2HG2  VAL  86          2HG2      VAL  86  12.076   2.600 -10.960
  694   3HG2  VAL  86          3HG2      VAL  86  11.088   3.596 -12.028
  695    H    LYS  87           H        LYS  87   9.366   4.715 -11.049
  696    HA   LYS  87           HA       LYS  87   6.759   5.052 -10.699
  697   1HB   LYS  87          2HB       LYS  87   8.327   3.688 -12.814
  698   2HB   LYS  87          1HB       LYS  87   6.581   3.440 -12.847
  699   1HG   LYS  87          2HG       LYS  87   6.209   5.543 -13.571
  700   2HG   LYS  87          1HG       LYS  87   7.254   6.224 -12.324
  701   1HD   LYS  87          2HD       LYS  87   8.154   6.738 -14.549
  702   2HD   LYS  87          1HD       LYS  87   9.240   5.642 -13.694
  703   1HE   LYS  87          2HE       LYS  87   8.954   4.017 -15.233
  704   2HE   LYS  87          1HE       LYS  87   7.199   4.192 -15.186
  705   1HZ   LYS  87          1HZ       LYS  87   7.768   4.860 -17.285
  706   2HZ   LYS  87          2HZ       LYS  87   9.101   5.624 -16.836
  707   3HZ   LYS  87          3HZ       LYS  87   7.669   6.267 -16.527
  708    H    GLU  88           H        GLU  88   8.274   1.799 -10.595
  709    HA   GLU  88           HA       GLU  88   5.997   0.240 -10.487
  710   1HB   GLU  88          2HB       GLU  88   7.451  -0.972  -8.578
  711   2HB   GLU  88          1HB       GLU  88   7.897  -1.075 -10.271
  712   1HG   GLU  88          2HG       GLU  88   8.987   1.318  -9.008
  713   2HG   GLU  88          1HG       GLU  88   9.514  -0.166  -8.227
  714    H    ARG  89           H        ARG  89   7.716   1.204  -7.600
  715    HA   ARG  89           HA       ARG  89   5.550   0.903  -5.835
  716   1HB   ARG  89          2HB       ARG  89   7.814   2.811  -5.326
  717   2HB   ARG  89          1HB       ARG  89   7.034   1.687  -4.217
  718   1HG   ARG  89          2HG       ARG  89   8.968   1.014  -6.459
  719   2HG   ARG  89          1HG       ARG  89   9.223   0.759  -4.748
  720   1HD   ARG  89          2HD       ARG  89   7.296  -0.825  -4.727
  721   2HD   ARG  89          1HD       ARG  89   7.133  -0.611  -6.462
  722    HE   ARG  89           HE       ARG  89   9.758  -1.340  -6.072
  723   1HH1  ARG  89          1HH2      ARG  89   6.631  -2.559  -5.260
  724   2HH1  ARG  89          2HH2      ARG  89   7.119  -4.218  -5.327
  725   1HH2  ARG  89          1HH1      ARG  89  10.403  -3.510  -6.164
  726   2HH2  ARG  89          2HH1      ARG  89   9.241  -4.754  -5.853
  727    H    ASP  90           H        ASP  90   7.134   3.757  -7.166
  728    HA   ASP  90           HA       ASP  90   5.686   5.852  -6.251
  729   1HB   ASP  90          2HB       ASP  90   7.017   5.269  -8.775
  730   2HB   ASP  90          1HB       ASP  90   5.621   6.320  -9.017
  731    H    ALA  91           H        ALA  91   4.609   3.715  -8.905
  732    HA   ALA  91           HA       ALA  91   2.035   4.828  -9.161
  733   1HB   ALA  91          1HB       ALA  91   1.481   2.810 -10.354
  734   2HB   ALA  91          2HB       ALA  91   2.795   1.925  -9.578
  735   3HB   ALA  91          3HB       ALA  91   3.156   3.195 -10.747
  736    H    VAL  92           H        VAL  92   3.150   1.946  -7.335
  737    HA   VAL  92           HA       VAL  92   0.869   1.078  -6.127
  738    HB   VAL  92           HB       VAL  92   3.580   1.554  -4.871
  739   1HG1  VAL  92          1HG1      VAL  92   1.014   0.964  -3.578
  740   2HG1  VAL  92          2HG1      VAL  92   2.541   1.477  -2.863
  741   3HG1  VAL  92          3HG1      VAL  92   2.262  -0.231  -3.228
  742   1HG2  VAL  92          1HG2      VAL  92   3.797  -0.316  -6.216
  743   2HG2  VAL  92          2HG2      VAL  92   2.091  -0.745  -6.070
  744   3HG2  VAL  92          3HG2      VAL  92   3.201  -1.070  -4.733
  745    H    LYS  93           H        LYS  93   2.852   3.697  -4.678
  746    HA   LYS  93           HA       LYS  93   0.863   4.509  -2.844
  747   1HB   LYS  93          2HB       LYS  93   3.267   5.204  -2.792
  748   2HB   LYS  93          1HB       LYS  93   2.963   6.233  -4.189
  749   1HG   LYS  93          2HG       LYS  93   1.333   7.533  -2.924
  750   2HG   LYS  93          1HG       LYS  93   1.476   6.436  -1.553
  751   1HD   LYS  93          2HD       LYS  93   2.837   8.360  -1.063
  752   2HD   LYS  93          1HD       LYS  93   3.933   7.035  -1.455
  753   1HE   LYS  93          2HE       LYS  93   4.540   9.191  -2.587
  754   2HE   LYS  93          1HE       LYS  93   4.226   7.873  -3.716
  755   1HZ   LYS  93          1HZ       LYS  93   2.017   9.550  -2.968
  756   2HZ   LYS  93          2HZ       LYS  93   2.314   8.830  -4.366
  757   3HZ   LYS  93          3HZ       LYS  93   3.093  10.173  -3.977
  758    H    ASP  94           H        ASP  94   1.769   5.687  -6.067
  759    HA   ASP  94           HA       ASP  94  -0.053   7.649  -6.578
  760   1HB   ASP  94          2HB       ASP  94   1.732   6.372  -8.102
  761   2HB   ASP  94          1HB       ASP  94   0.266   5.603  -8.708
  762    H    LEU  95           H        LEU  95  -0.781   4.251  -6.106
  763    HA   LEU  95           HA       LEU  95  -3.442   4.610  -7.269
  764   1HB   LEU  95          2HB       LEU  95  -2.693   2.215  -5.643
  765   2HB   LEU  95          1HB       LEU  95  -3.677   2.312  -7.103
  766    HG   LEU  95           HG       LEU  95  -0.670   2.416  -6.876
  767   1HD1  LEU  95          1HD1      LEU  95  -0.982   0.235  -7.355
  768   2HD1  LEU  95          2HD1      LEU  95  -1.512   0.756  -8.955
  769   3HD1  LEU  95          3HD1      LEU  95  -2.697   0.488  -7.676
  770   1HD2  LEU  95          1HD2      LEU  95  -0.942   4.081  -8.477
  771   2HD2  LEU  95          2HD2      LEU  95  -2.506   3.459  -9.002
  772   3HD2  LEU  95          3HD2      LEU  95  -1.022   2.654  -9.509
  773    H    LEU  96           H        LEU  96  -1.799   4.039  -4.191
  774    HA   LEU  96           HA       LEU  96  -3.797   3.859  -2.381
  775   1HB   LEU  96          2HB       LEU  96  -1.383   5.687  -2.224
  776   2HB   LEU  96          1HB       LEU  96  -2.336   5.149  -0.845
  777    HG   LEU  96           HG       LEU  96  -0.504   3.539  -2.618
  778   1HD1  LEU  96          1HD1      LEU  96  -0.776   4.264   0.234
  779   2HD1  LEU  96          2HD1      LEU  96   0.673   3.947  -0.723
  780   3HD1  LEU  96          3HD1      LEU  96  -0.277   2.603  -0.087
  781   1HD2  LEU  96          1HD2      LEU  96  -1.495   1.480  -1.676
  782   2HD2  LEU  96          2HD2      LEU  96  -2.660   2.359  -2.666
  783   3HD2  LEU  96          3HD2      LEU  96  -2.756   2.444  -0.907
  784    H    GLN  97           H        GLN  97  -2.502   7.038  -3.395
  785    HA   GLN  97           HA       GLN  97  -4.767   8.416  -2.270
  786   1HB   GLN  97          2HB       GLN  97  -3.956  10.384  -3.357
  787   2HB   GLN  97          1HB       GLN  97  -2.587   9.543  -2.642
  788   1HG   GLN  97          2HG       GLN  97  -3.091   8.636  -5.353
  789   2HG   GLN  97          1HG       GLN  97  -2.858  10.386  -5.307
  790   1HE2  GLN  97          1HE2      GLN  97  -1.333   7.293  -4.735
  791   2HE2  GLN  97          2HE2      GLN  97   0.231   7.885  -4.469
  792    H    GLN  98           H        GLN  98  -4.632   6.500  -4.905
  793    HA   GLN  98           HA       GLN  98  -6.480   8.057  -6.543
  794   1HB   GLN  98          2HB       GLN  98  -4.480   6.475  -7.317
  795   2HB   GLN  98          1HB       GLN  98  -5.726   5.233  -7.168
  796   1HG   GLN  98          2HG       GLN  98  -7.113   7.178  -8.478
  797   2HG   GLN  98          1HG       GLN  98  -5.492   7.440  -9.124
  798   1HE2  GLN  98          1HE2      GLN  98  -7.120   4.376  -8.146
  799   2HE2  GLN  98          2HE2      GLN  98  -6.942   3.627  -9.658
  800    H    LEU  99           H        LEU  99  -6.347   5.162  -4.500
  801    HA   LEU  99           HA       LEU  99  -9.205   4.646  -4.964
  802   1HB   LEU  99          2HB       LEU  99  -7.960   3.154  -2.782
  803   2HB   LEU  99          1HB       LEU  99  -8.777   2.531  -4.200
  804    HG   LEU  99           HG       LEU  99  -6.458   3.445  -5.310
  805   1HD1  LEU  99          1HD1      LEU  99  -4.778   2.412  -3.556
  806   2HD1  LEU  99          2HD1      LEU  99  -6.053   2.836  -2.412
  807   3HD1  LEU  99          3HD1      LEU  99  -5.317   4.079  -3.396
  808   1HD2  LEU  99          1HD2      LEU  99  -6.672   1.276  -5.928
  809   2HD2  LEU  99          2HD2      LEU  99  -7.570   0.879  -4.463
  810   3HD2  LEU  99          3HD2      LEU  99  -5.805   0.872  -4.446
  811    H    LEU 100           H        LEU 100  -6.991   5.984  -2.636
  812    HA   LEU 100           HA       LEU 100  -8.300   5.932  -0.306
  813   1HB   LEU 100          2HB       LEU 100  -6.267   7.078  -0.250
  814   2HB   LEU 100          1HB       LEU 100  -6.685   8.099  -1.618
  815    HG   LEU 100           HG       LEU 100  -8.462   9.161  -0.143
  816   1HD1  LEU 100          1HD1      LEU 100  -6.934   7.616   1.976
  817   2HD1  LEU 100          2HD1      LEU 100  -8.618   7.357   1.518
  818   3HD1  LEU 100          3HD1      LEU 100  -8.139   8.862   2.303
  819   1HD2  LEU 100          1HD2      LEU 100  -6.914  10.682   0.828
  820   2HD2  LEU 100          2HD2      LEU 100  -6.080  10.039  -0.586
  821   3HD2  LEU 100          3HD2      LEU 100  -5.686   9.431   1.021
  822    HA   PRO 101           HA       PRO 101 -11.011   9.653  -1.977
  823   1HB   PRO 101          2HB       PRO 101 -11.105   8.653  -4.768
  824   2HB   PRO 101          1HB       PRO 101 -11.056  10.325  -4.187
  825   1HG   PRO 101          2HG       PRO 101  -8.921   8.998  -5.319
  826   2HG   PRO 101          1HG       PRO 101  -8.756  10.366  -4.205
  827   1HD   PRO 101          2HD       PRO 101  -8.120   7.561  -3.755
  828   2HD   PRO 101          1HD       PRO 101  -7.734   8.969  -2.752
  829    H    LYS 102           H        LYS 102 -10.965   6.404  -3.331
  830    HA   LYS 102           HA       LYS 102 -13.646   5.930  -3.815
  831   1HB   LYS 102          2HB       LYS 102 -11.785   4.393  -4.364
  832   2HB   LYS 102          1HB       LYS 102 -11.612   4.027  -2.646
  833   1HG   LYS 102          2HG       LYS 102 -13.256   2.520  -2.741
  834   2HG   LYS 102          1HG       LYS 102 -14.366   3.712  -3.424
  835   1HD   LYS 102          2HD       LYS 102 -12.355   2.794  -5.348
  836   2HD   LYS 102          1HD       LYS 102 -13.380   1.488  -4.753
  837   1HE   LYS 102          2HE       LYS 102 -15.391   2.813  -5.319
  838   2HE   LYS 102          1HE       LYS 102 -14.359   4.103  -5.937
  839   1HZ   LYS 102          1HZ       LYS 102 -14.586   2.975  -7.820
  840   2HZ   LYS 102          2HZ       LYS 102 -14.999   1.597  -7.119
  841   3HZ   LYS 102          3HZ       LYS 102 -13.455   2.002  -7.238
  842    H    PHE 103           H        PHE 103 -11.918   5.575  -0.694
  843    HA   PHE 103           HA       PHE 103 -14.546   4.980   0.499
  844   1HB   PHE 103          2HB       PHE 103 -12.743   4.461   2.503
  845   2HB   PHE 103          1HB       PHE 103 -13.333   3.262   1.357
  846    HD1  PHE 103           HD1      PHE 103 -12.074   3.097  -0.907
  847    HD2  PHE 103           HD2      PHE 103 -10.436   4.910   2.625
  848    HE1  PHE 103           HE1      PHE 103  -9.805   2.845  -1.843
  849    HE2  PHE 103           HE2      PHE 103  -8.149   4.650   1.695
  850    HZ   PHE 103           HZ       PHE 103  -7.831   3.620  -0.543
  851    H    LYS 104           H        LYS 104 -12.484   7.547   0.068
  852    HA   LYS 104           HA       LYS 104 -12.843   8.710   2.709
  853   1HB   LYS 104          2HB       LYS 104 -11.695   9.750   0.109
  854   2HB   LYS 104          1HB       LYS 104 -11.830  10.740   1.562
  855   1HG   LYS 104          2HG       LYS 104 -10.414   8.067   1.505
  856   2HG   LYS 104          1HG       LYS 104  -9.588   9.605   1.267
  857   1HD   LYS 104          2HD       LYS 104 -11.303   9.029   3.688
  858   2HD   LYS 104          1HD       LYS 104  -9.572   8.703   3.644
  859   1HE   LYS 104          2HE       LYS 104 -10.735  11.415   2.979
  860   2HE   LYS 104          1HE       LYS 104 -10.236  10.967   4.610
  861   1HZ   LYS 104          1HZ       LYS 104  -8.520  12.070   3.259
  862   2HZ   LYS 104          2HZ       LYS 104  -8.468  10.788   2.303
  863   3HZ   LYS 104          3HZ       LYS 104  -8.061  10.652   3.845
  864    H    ARG 105           H        ARG 105 -13.526  11.344   2.083
  865    HA   ARG 105           HA       ARG 105 -16.281  11.324   2.094
  866   1HB   ARG 105          2HB       ARG 105 -14.200  13.345   1.455
  867   2HB   ARG 105          1HB       ARG 105 -15.838  13.708   0.908
  868   1HG   ARG 105          2HG       ARG 105 -16.707  13.429   3.162
  869   2HG   ARG 105          1HG       ARG 105 -15.131  12.893   3.741
  870   1HD   ARG 105          2HD       ARG 105 -14.369  15.007   3.931
  871   2HD   ARG 105          1HD       ARG 105 -14.997  15.467   2.351
  872    HE   ARG 105           HE       ARG 105 -16.126  16.147   4.826
  873   1HH1  ARG 105          1HH2      ARG 105 -17.082  14.782   1.789
  874   2HH1  ARG 105          2HH2      ARG 105 -18.763  15.098   2.045
  875   1HH2  ARG 105          1HH1      ARG 105 -18.304  16.575   5.141
  876   2HH2  ARG 105          2HH1      ARG 105 -19.452  16.117   3.928
  877    H    LYS 106           H        LYS 106 -15.080  13.035  -0.708
  878    HA   LYS 106           HA       LYS 106 -16.742  11.239  -2.371
  879   1HB   LYS 106          2HB       LYS 106 -16.046  14.172  -2.690
  880   2HB   LYS 106          1HB       LYS 106 -16.922  13.224  -3.892
  881   1HG   LYS 106          2HG       LYS 106 -18.255  12.691  -1.495
  882   2HG   LYS 106          1HG       LYS 106 -17.900  14.417  -1.422
  883   1HD   LYS 106          2HD       LYS 106 -19.103  13.120  -3.874
  884   2HD   LYS 106          1HD       LYS 106 -20.094  13.772  -2.569
  885   1HE   LYS 106          2HE       LYS 106 -18.544  15.899  -2.904
  886   2HE   LYS 106          1HE       LYS 106 -18.336  15.215  -4.516
  887   1HZ   LYS 106          1HZ       LYS 106 -21.009  15.371  -3.491
  888   2HZ   LYS 106          2HZ       LYS 106 -20.484  15.571  -4.990
  889   3HZ   LYS 106          3HZ       LYS 106 -20.331  16.755  -3.924
  890    H    ALA 107           H        ALA 107 -15.853  11.951  -4.865
  891    HA   ALA 107           HA       ALA 107 -12.958  11.337  -4.760
  892   1HB   ALA 107          1HB       ALA 107 -13.215   9.563  -6.161
  893   2HB   ALA 107          2HB       ALA 107 -14.471  10.367  -7.102
  894   3HB   ALA 107          3HB       ALA 107 -14.880   9.573  -5.582
  895    H    ASN 108           H        ASN 108 -12.135  11.679  -7.223
  896    HA   ASN 108           HA       ASN 108 -13.408  14.059  -8.371
  897   1HB   ASN 108          2HB       ASN 108 -11.786  14.971  -6.781
  898   2HB   ASN 108          1HB       ASN 108 -10.519  13.948  -7.459
  899   1HD2  ASN 108          1HD2      ASN 108  -9.202  15.109  -8.860
  900   2HD2  ASN 108          2HD2      ASN 108  -9.722  16.362  -9.880
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -24.392  -7.436  -5.656
    2   2H    MET   1          2H        MET   1 -24.488  -8.779  -6.523
    3   3H    MET   1          3H        MET   1 -25.056  -7.405  -7.113
    4    HA   MET   1           HA       MET   1 -23.083  -7.612  -8.237
    5   1HB   MET   1          2HB       MET   1 -23.418  -5.592  -6.295
    6   2HB   MET   1          1HB       MET   1 -21.740  -6.120  -6.153
    7   1HG   MET   1          2HG       MET   1 -21.974  -6.020  -8.853
    8   2HG   MET   1          1HG       MET   1 -23.105  -4.745  -8.399
    9   1HE   MET   1          1HE       MET   1 -21.273  -3.359  -9.950
   10   2HE   MET   1          2HE       MET   1 -20.225  -4.775  -9.987
   11   3HE   MET   1          3HE       MET   1 -19.568  -3.213  -9.502
   12    H    ALA   2           H        ALA   2 -22.673  -9.969  -7.772
   13    HA   ALA   2           HA       ALA   2 -20.114 -10.218  -6.408
   14   1HB   ALA   2          1HB       ALA   2 -21.440 -10.685  -4.507
   15   2HB   ALA   2          2HB       ALA   2 -21.055 -12.277  -5.160
   16   3HB   ALA   2          3HB       ALA   2 -22.640 -11.563  -5.455
   17    H    THR   3           H        THR   3 -19.842 -10.521  -8.859
   18    HA   THR   3           HA       THR   3 -20.773 -13.120  -9.827
   19    HB   THR   3           HB       THR   3 -19.563 -12.376 -11.928
   20    HG1  THR   3           HG1      THR   3 -18.190 -10.842 -11.521
   21   1HG2  THR   3          1HG2      THR   3 -21.220 -10.197 -11.978
   22   2HG2  THR   3          2HG2      THR   3 -21.914 -11.134 -10.655
   23   3HG2  THR   3          3HG2      THR   3 -21.750 -11.856 -12.255
   24    H    SER   4           H        SER   4 -17.586 -11.476  -9.863
   25    HA   SER   4           HA       SER   4 -16.358 -14.135  -9.563
   26   1HB   SER   4          2HB       SER   4 -15.472 -12.884 -11.414
   27   2HB   SER   4          1HB       SER   4 -15.274 -11.442 -10.422
   28    HG   SER   4           HG       SER   4 -13.637 -13.585 -10.732
   29    H    SER   5           H        SER   5 -13.962 -13.460  -8.387
   30    HA   SER   5           HA       SER   5 -14.845 -12.930  -5.656
   31   1HB   SER   5          2HB       SER   5 -12.004 -13.476  -6.464
   32   2HB   SER   5          1HB       SER   5 -12.836 -13.909  -4.973
   33    HG   SER   5           HG       SER   5 -14.174 -15.284  -6.378
   34    H    GLU   6           H        GLU   6 -12.253 -11.885  -4.817
   35    HA   GLU   6           HA       GLU   6 -12.790  -9.114  -5.165
   36   1HB   GLU   6          2HB       GLU   6 -10.159 -10.279  -4.255
   37   2HB   GLU   6          1HB       GLU   6 -10.892  -8.745  -3.789
   38   1HG   GLU   6          2HG       GLU   6 -11.597  -9.901  -1.960
   39   2HG   GLU   6          1HG       GLU   6 -12.849 -10.499  -3.050
   40    H    GLU   7           H        GLU   7 -11.197  -7.568  -6.073
   41    HA   GLU   7           HA       GLU   7  -9.805  -8.720  -8.427
   42   1HB   GLU   7          2HB       GLU   7 -11.000  -5.940  -8.251
   43   2HB   GLU   7          1HB       GLU   7 -10.362  -6.746  -9.685
   44   1HG   GLU   7          2HG       GLU   7 -12.404  -8.377  -8.440
   45   2HG   GLU   7          1HG       GLU   7 -13.030  -6.764  -8.783
   46    H    VAL   8           H        VAL   8  -7.556  -8.576  -7.915
   47    HA   VAL   8           HA       VAL   8  -6.813  -6.394  -6.143
   48    HB   VAL   8           HB       VAL   8  -5.167  -7.786  -5.399
   49   1HG1  VAL   8          1HG1      VAL   8  -5.890  -9.986  -5.276
   50   2HG1  VAL   8          2HG1      VAL   8  -6.328 -10.047  -6.983
   51   3HG1  VAL   8          3HG1      VAL   8  -7.369  -9.204  -5.836
   52   1HG2  VAL   8          1HG2      VAL   8  -3.844  -7.550  -7.486
   53   2HG2  VAL   8          2HG2      VAL   8  -4.799  -8.833  -8.228
   54   3HG2  VAL   8          3HG2      VAL   8  -3.757  -9.193  -6.852
   55    H    LEU   9           H        LEU   9  -5.014  -5.078  -6.634
   56    HA   LEU   9           HA       LEU   9  -4.849  -4.487  -9.502
   57   1HB   LEU   9          2HB       LEU   9  -5.500  -2.633  -8.118
   58   2HB   LEU   9          1HB       LEU   9  -4.137  -2.892  -7.033
   59    HG   LEU   9           HG       LEU   9  -2.714  -2.574  -9.239
   60   1HD1  LEU   9          1HD1      LEU   9  -5.319  -1.146  -9.854
   61   2HD1  LEU   9          2HD1      LEU   9  -4.619  -2.479 -10.771
   62   3HD1  LEU   9          3HD1      LEU   9  -3.813  -0.911 -10.740
   63   1HD2  LEU   9          1HD2      LEU   9  -3.719   0.055  -8.517
   64   2HD2  LEU   9          2HD2      LEU   9  -2.142  -0.662  -8.185
   65   3HD2  LEU   9          3HD2      LEU   9  -3.493  -0.951  -7.089
   66    H    LEU  10           H        LEU  10  -2.478  -4.830  -6.712
   67    HA   LEU  10           HA       LEU  10  -0.672  -6.013  -8.657
   68   1HB   LEU  10          2HB       LEU  10  -0.609  -3.286  -8.490
   69   2HB   LEU  10          1HB       LEU  10   0.617  -3.740  -7.311
   70    HG   LEU  10           HG       LEU  10   1.141  -5.449  -9.417
   71   1HD1  LEU  10          1HD1      LEU  10   0.739  -4.457 -11.437
   72   2HD1  LEU  10          2HD1      LEU  10   0.978  -2.830 -10.799
   73   3HD1  LEU  10          3HD1      LEU  10  -0.559  -3.658 -10.549
   74   1HD2  LEU  10          1HD2      LEU  10   2.946  -4.416  -8.324
   75   2HD2  LEU  10          2HD2      LEU  10   2.267  -2.801  -8.525
   76   3HD2  LEU  10          3HD2      LEU  10   2.968  -3.642  -9.908
   77    H    ILE  11           H        ILE  11   1.460  -6.557  -7.592
   78    HA   ILE  11           HA       ILE  11   1.181  -6.883  -4.677
   79    HB   ILE  11           HB       ILE  11   0.615  -9.047  -5.319
   80   1HG1  ILE  11          2HG1      ILE  11   2.905  -8.931  -4.080
   81   2HG1  ILE  11          1HG1      ILE  11   2.454 -10.452  -4.839
   82   1HG2  ILE  11          1HG2      ILE  11   1.598 -10.160  -7.339
   83   2HG2  ILE  11          2HG2      ILE  11   2.464  -8.662  -7.688
   84   3HG2  ILE  11          3HG2      ILE  11   0.699  -8.689  -7.718
   85   1HD1  ILE  11          1HD1      ILE  11   3.820  -8.799  -6.765
   86   2HD1  ILE  11          2HD1      ILE  11   4.269 -10.391  -6.157
   87   3HD1  ILE  11          3HD1      ILE  11   4.794  -8.941  -5.304
   88    H    VAL  12           H        VAL  12   3.105  -6.485  -3.624
   89    HA   VAL  12           HA       VAL  12   5.464  -6.175  -5.366
   90    HB   VAL  12           HB       VAL  12   5.995  -4.484  -3.276
   91   1HG1  VAL  12          1HG1      VAL  12   5.578  -2.702  -4.902
   92   2HG1  VAL  12          2HG1      VAL  12   4.576  -3.789  -5.863
   93   3HG1  VAL  12          3HG1      VAL  12   6.306  -4.092  -5.708
   94   1HG2  VAL  12          1HG2      VAL  12   3.770  -3.040  -3.443
   95   2HG2  VAL  12          2HG2      VAL  12   3.936  -4.297  -2.220
   96   3HG2  VAL  12          3HG2      VAL  12   3.027  -4.612  -3.694
   97    H    LYS  13           H        LYS  13   6.389  -8.068  -4.909
   98    HA   LYS  13           HA       LYS  13   6.550  -9.428  -2.482
   99   1HB   LYS  13          2HB       LYS  13   8.111 -10.787  -3.583
  100   2HB   LYS  13          1HB       LYS  13   7.182 -10.094  -4.905
  101   1HG   LYS  13          2HG       LYS  13   9.210  -8.227  -4.444
  102   2HG   LYS  13          1HG       LYS  13  10.009  -9.795  -4.321
  103   1HD   LYS  13          2HD       LYS  13   8.179  -9.011  -6.603
  104   2HD   LYS  13          1HD       LYS  13   9.935  -8.856  -6.659
  105   1HE   LYS  13          2HE       LYS  13   8.810 -11.496  -5.837
  106   2HE   LYS  13          1HE       LYS  13   8.702 -11.057  -7.542
  107   1HZ   LYS  13          1HZ       LYS  13  11.221 -10.661  -6.221
  108   2HZ   LYS  13          2HZ       LYS  13  10.927 -11.091  -7.734
  109   3HZ   LYS  13          3HZ       LYS  13  10.812 -12.171  -6.559
  110    H    LYS  14           H        LYS  14   8.073  -6.613  -3.497
  111    HA   LYS  14           HA       LYS  14  10.009  -6.837  -1.269
  112   1HB   LYS  14          2HB       LYS  14  10.658  -6.413  -3.879
  113   2HB   LYS  14          1HB       LYS  14  10.455  -4.753  -3.322
  114   1HG   LYS  14          2HG       LYS  14  12.767  -5.409  -2.971
  115   2HG   LYS  14          1HG       LYS  14  11.976  -5.265  -1.400
  116   1HD   LYS  14          2HD       LYS  14  12.115  -7.503  -0.979
  117   2HD   LYS  14          1HD       LYS  14  11.804  -7.939  -2.659
  118   1HE   LYS  14          2HE       LYS  14  14.415  -6.688  -1.799
  119   2HE   LYS  14          1HE       LYS  14  14.161  -8.433  -1.758
  120   1HZ   LYS  14          1HZ       LYS  14  14.052  -8.511  -3.994
  121   2HZ   LYS  14          2HZ       LYS  14  15.050  -7.267  -3.867
  122   3HZ   LYS  14          3HZ       LYS  14  13.499  -7.020  -4.175
  123    H    VAL  15           H        VAL  15   9.360  -5.643   0.435
  124    HA   VAL  15           HA       VAL  15   8.709  -2.891  -0.108
  125    HB   VAL  15           HB       VAL  15   6.543  -4.682   0.931
  126   1HG1  VAL  15          1HG1      VAL  15   6.544  -1.683   1.239
  127   2HG1  VAL  15          2HG1      VAL  15   7.042  -2.736   2.560
  128   3HG1  VAL  15          3HG1      VAL  15   5.407  -2.844   1.907
  129   1HG2  VAL  15          1HG2      VAL  15   6.054  -4.233  -1.240
  130   2HG2  VAL  15          2HG2      VAL  15   7.112  -2.824  -1.275
  131   3HG2  VAL  15          3HG2      VAL  15   5.498  -2.694  -0.585
  132    H    ARG  16           H        ARG  16   9.018  -1.548   1.611
  133    HA   ARG  16           HA       ARG  16  10.295  -2.809   3.970
  134   1HB   ARG  16          2HB       ARG  16  12.026  -1.762   2.659
  135   2HB   ARG  16          1HB       ARG  16  11.017  -0.374   2.312
  136   1HG   ARG  16          2HG       ARG  16  11.782   0.677   4.134
  137   2HG   ARG  16          1HG       ARG  16  11.200  -0.631   5.154
  138   1HD   ARG  16          2HD       ARG  16  13.933  -0.166   4.025
  139   2HD   ARG  16          1HD       ARG  16  13.470  -0.718   5.634
  140    HE   ARG  16           HE       ARG  16  12.713  -2.782   4.030
  141   1HH1  ARG  16          1HH2      ARG  16  15.582  -0.915   4.512
  142   2HH1  ARG  16          2HH2      ARG  16  16.648  -2.198   4.050
  143   1HH2  ARG  16          1HH1      ARG  16  14.102  -4.457   3.408
  144   2HH2  ARG  16          2HH1      ARG  16  15.813  -4.198   3.432
  145    H    GLN  17           H        GLN  17   9.459  -2.178   5.842
  146    HA   GLN  17           HA       GLN  17   8.016   0.369   5.886
  147   1HB   GLN  17          2HB       GLN  17   6.254  -0.800   7.319
  148   2HB   GLN  17          1HB       GLN  17   6.241  -1.206   5.615
  149   1HG   GLN  17          2HG       GLN  17   7.385  -3.270   5.987
  150   2HG   GLN  17          1HG       GLN  17   7.656  -2.867   7.672
  151   1HE2  GLN  17          1HE2      GLN  17   4.612  -1.675   7.062
  152   2HE2  GLN  17          2HE2      GLN  17   3.692  -3.030   7.499
  153    H    LYS  18           H        LYS  18   8.628   1.511   7.621
  154    HA   LYS  18           HA       LYS  18  10.850   1.209   8.996
  155   1HB   LYS  18          2HB       LYS  18   8.457   2.687   9.472
  156   2HB   LYS  18          1HB       LYS  18   9.045   2.078  11.021
  157   1HG   LYS  18          2HG       LYS  18  11.179   3.103  10.728
  158   2HG   LYS  18          1HG       LYS  18  10.868   3.431   9.023
  159   1HD   LYS  18          2HD       LYS  18   9.442   5.208   9.482
  160   2HD   LYS  18          1HD       LYS  18   9.018   4.589  11.078
  161   1HE   LYS  18          2HE       LYS  18  10.478   6.168  11.826
  162   2HE   LYS  18          1HE       LYS  18  11.707   4.989  11.369
  163   1HZ   LYS  18          1HZ       LYS  18  11.104   6.299   9.096
  164   2HZ   LYS  18          2HZ       LYS  18  12.411   6.532   9.990
  165   3HZ   LYS  18          3HZ       LYS  18  11.128   7.467  10.192
  166    H    LYS  19           H        LYS  19   8.036  -0.789   9.667
  167    HA   LYS  19           HA       LYS  19   9.159  -1.744  12.151
  168   1HB   LYS  19          2HB       LYS  19   7.304  -3.327  12.139
  169   2HB   LYS  19          1HB       LYS  19   6.690  -1.739  11.702
  170   1HG   LYS  19          2HG       LYS  19   6.836  -2.427   9.263
  171   2HG   LYS  19          1HG       LYS  19   7.269  -4.053   9.794
  172   1HD   LYS  19          2HD       LYS  19   4.888  -3.972   9.348
  173   2HD   LYS  19          1HD       LYS  19   5.140  -4.152  11.086
  174   1HE   LYS  19          2HE       LYS  19   5.145  -1.394  10.706
  175   2HE   LYS  19          1HE       LYS  19   3.880  -1.964   9.618
  176   1HZ   LYS  19          1HZ       LYS  19   2.709  -2.795  11.349
  177   2HZ   LYS  19          2HZ       LYS  19   3.373  -1.539  12.084
  178   3HZ   LYS  19          3HZ       LYS  19   3.976  -3.004  12.305
  179    H    GLN  20           H        GLN  20   8.635  -3.111   8.955
  180    HA   GLN  20           HA       GLN  20  11.015  -4.771   9.172
  181   1HB   GLN  20          2HB       GLN  20   8.482  -5.758   9.840
  182   2HB   GLN  20          1HB       GLN  20   8.787  -6.328   8.197
  183   1HG   GLN  20          2HG       GLN  20  11.221  -6.624   9.577
  184   2HG   GLN  20          1HG       GLN  20   9.970  -7.235  10.663
  185   1HE2  GLN  20          1HE2      GLN  20  11.497  -9.253   9.824
  186   2HE2  GLN  20          2HE2      GLN  20  10.797 -10.127   8.548
  187    H    ASP  21           H        ASP  21  11.336  -6.015   7.088
  188    HA   ASP  21           HA       ASP  21  10.336  -4.386   4.834
  189   1HB   ASP  21          2HB       ASP  21  12.590  -6.395   4.641
  190   2HB   ASP  21          1HB       ASP  21  12.316  -4.962   3.641
  191    H    GLY  22           H        GLY  22   8.975  -5.519   3.529
  192   1HA   GLY  22          2HA       GLY  22   8.803  -8.386   3.607
  193   2HA   GLY  22          1HA       GLY  22   7.501  -7.590   4.462
  194    H    ALA  23           H        ALA  23   6.973  -9.124   2.158
  195    HA   ALA  23           HA       ALA  23   6.755  -7.309  -0.034
  196   1HB   ALA  23          1HB       ALA  23   5.817 -10.130   0.478
  197   2HB   ALA  23          2HB       ALA  23   7.108  -9.597  -0.595
  198   3HB   ALA  23          3HB       ALA  23   5.426  -9.266  -1.008
  199    H    LEU  24           H        LEU  24   5.220  -6.178  -0.535
  200    HA   LEU  24           HA       LEU  24   2.732  -6.104   1.094
  201   1HB   LEU  24          2HB       LEU  24   4.505  -4.129   0.040
  202   2HB   LEU  24          1HB       LEU  24   2.908  -3.832  -0.615
  203    HG   LEU  24           HG       LEU  24   3.784  -3.943   2.265
  204   1HD1  LEU  24          1HD1      LEU  24   2.828  -1.934   0.296
  205   2HD1  LEU  24          2HD1      LEU  24   3.929  -1.734   1.655
  206   3HD1  LEU  24          3HD1      LEU  24   2.186  -1.767   1.927
  207   1HD2  LEU  24          1HD2      LEU  24   1.220  -3.477   2.596
  208   2HD2  LEU  24          2HD2      LEU  24   1.784  -5.141   2.441
  209   3HD2  LEU  24          3HD2      LEU  24   1.056  -4.324   1.058
  210    H    TYR  25           H        TYR  25   0.786  -6.526   0.191
  211    HA   TYR  25           HA       TYR  25   0.603  -6.922  -2.742
  212   1HB   TYR  25          2HB       TYR  25  -0.607  -8.249  -0.338
  213   2HB   TYR  25          1HB       TYR  25  -1.590  -8.130  -1.793
  214    HD1  TYR  25           HD1      TYR  25   1.394  -9.620  -0.270
  215    HD2  TYR  25           HD2      TYR  25  -0.962  -9.283  -3.839
  216    HE1  TYR  25           HE1      TYR  25   2.560 -11.592  -1.212
  217    HE2  TYR  25           HE2      TYR  25   0.196 -11.264  -4.790
  218    HH   TYR  25           HH       TYR  25   2.455 -12.411  -4.446
  219    H    LEU  26           H        LEU  26  -1.052  -5.544  -3.802
  220    HA   LEU  26           HA       LEU  26  -2.674  -4.049  -1.856
  221   1HB   LEU  26          2HB       LEU  26  -1.132  -2.491  -2.798
  222   2HB   LEU  26          1HB       LEU  26  -1.295  -3.190  -4.407
  223    HG   LEU  26           HG       LEU  26  -3.752  -2.495  -4.319
  224   1HD1  LEU  26          1HD1      LEU  26  -4.480  -0.976  -2.670
  225   2HD1  LEU  26          2HD1      LEU  26  -2.833  -0.601  -2.165
  226   3HD1  LEU  26          3HD1      LEU  26  -3.548  -2.158  -1.749
  227   1HD2  LEU  26          1HD2      LEU  26  -1.480  -0.502  -4.301
  228   2HD2  LEU  26          2HD2      LEU  26  -3.133  -0.034  -4.699
  229   3HD2  LEU  26          3HD2      LEU  26  -2.287  -1.218  -5.696
  230    H    MET  27           H        MET  27  -4.852  -3.936  -2.359
  231    HA   MET  27           HA       MET  27  -5.719  -5.009  -4.943
  232   1HB   MET  27          2HB       MET  27  -6.076  -6.928  -3.644
  233   2HB   MET  27          1HB       MET  27  -6.485  -6.006  -2.210
  234   1HG   MET  27          2HG       MET  27  -8.585  -5.258  -3.291
  235   2HG   MET  27          1HG       MET  27  -8.175  -6.199  -4.722
  236   1HE   MET  27          1HE       MET  27  -6.719  -8.570  -2.270
  237   2HE   MET  27          2HE       MET  27  -6.923  -8.540  -4.019
  238   3HE   MET  27          3HE       MET  27  -7.767  -9.754  -3.063
  239    H    ALA  28           H        ALA  28  -7.727  -4.034  -5.587
  240    HA   ALA  28           HA       ALA  28  -8.068  -1.410  -5.218
  241   1HB   ALA  28          1HB       ALA  28 -10.664  -2.021  -5.398
  242   2HB   ALA  28          2HB       ALA  28  -9.999  -3.620  -5.749
  243   3HB   ALA  28          3HB       ALA  28  -9.561  -2.236  -6.757
  244    H    GLU  29           H        GLU  29 -10.013  -3.680  -3.301
  245    HA   GLU  29           HA       GLU  29 -10.742  -1.528  -1.555
  246   1HB   GLU  29          2HB       GLU  29 -12.431  -3.094  -2.041
  247   2HB   GLU  29          1HB       GLU  29 -11.393  -4.450  -1.624
  248   1HG   GLU  29          2HG       GLU  29 -11.700  -4.175   0.645
  249   2HG   GLU  29          1HG       GLU  29 -11.926  -2.431   0.510
  250    H    ARG  30           H        ARG  30  -7.959  -3.590  -1.310
  251    HA   ARG  30           HA       ARG  30  -7.631  -2.482   1.333
  252   1HB   ARG  30          2HB       ARG  30  -7.882  -4.304   2.672
  253   2HB   ARG  30          1HB       ARG  30  -9.071  -4.717   1.447
  254   1HG   ARG  30          2HG       ARG  30  -6.203  -5.686   1.559
  255   2HG   ARG  30          1HG       ARG  30  -7.631  -6.643   1.947
  256   1HD   ARG  30          2HD       ARG  30  -6.921  -5.429  -0.703
  257   2HD   ARG  30          1HD       ARG  30  -6.950  -7.146  -0.331
  258    HE   ARG  30           HE       ARG  30  -9.119  -5.518  -1.162
  259   1HH1  ARG  30          1HH2      ARG  30  -8.312  -8.014   1.084
  260   2HH1  ARG  30          2HH2      ARG  30  -9.960  -8.409   1.433
  261   1HH2  ARG  30          1HH1      ARG  30 -11.272  -6.055  -0.735
  262   2HH2  ARG  30          2HH1      ARG  30 -11.629  -7.312   0.399
  263    H    ILE  31           H        ILE  31  -5.628  -3.155   2.360
  264    HA   ILE  31           HA       ILE  31  -3.545  -3.675   0.317
  265    HB   ILE  31           HB       ILE  31  -3.748  -1.817   2.648
  266   1HG1  ILE  31          2HG1      ILE  31  -3.828  -1.265   0.139
  267   2HG1  ILE  31          1HG1      ILE  31  -2.740  -0.295   1.132
  268   1HG2  ILE  31          1HG2      ILE  31  -1.329  -1.704   2.953
  269   2HG2  ILE  31          2HG2      ILE  31  -1.084  -2.965   1.745
  270   3HG2  ILE  31          3HG2      ILE  31  -1.870  -3.351   3.276
  271   1HD1  ILE  31          1HD1      ILE  31  -1.545  -0.953  -0.872
  272   2HD1  ILE  31          2HD1      ILE  31  -1.987  -2.643  -0.633
  273   3HD1  ILE  31          3HD1      ILE  31  -0.873  -1.855   0.484
  274    H    ALA  32           H        ALA  32  -2.198  -5.444   0.672
  275    HA   ALA  32           HA       ALA  32  -2.552  -6.829   3.261
  276   1HB   ALA  32          1HB       ALA  32  -1.916  -8.889   1.786
  277   2HB   ALA  32          2HB       ALA  32  -2.441  -7.861   0.453
  278   3HB   ALA  32          3HB       ALA  32  -3.568  -8.273   1.745
  279    H    TRP  33           H        TRP  33  -0.779  -7.843   4.169
  280    HA   TRP  33           HA       TRP  33   1.807  -7.121   2.902
  281   1HB   TRP  33          2HB       TRP  33   1.295  -5.693   4.894
  282   2HB   TRP  33          1HB       TRP  33   1.340  -7.150   5.872
  283    HD1  TRP  33           HD1      TRP  33   3.636  -6.161   2.962
  284    HE1  TRP  33           HE1      TRP  33   6.046  -6.121   3.861
  285    HE3  TRP  33           HE3      TRP  33   2.886  -7.343   7.883
  286    HZ2  TRP  33           HZ2      TRP  33   7.492  -6.544   6.181
  287    HZ3  TRP  33           HZ3      TRP  33   4.828  -7.564   9.401
  288    HH2  TRP  33           HH2      TRP  33   7.134  -7.184   8.559
  289    H    ALA  34           H        ALA  34   3.411  -8.569   3.020
  290    HA   ALA  34           HA       ALA  34   3.130 -10.971   4.603
  291   1HB   ALA  34          1HB       ALA  34   1.926 -11.760   2.778
  292   2HB   ALA  34          2HB       ALA  34   3.560 -12.362   2.500
  293   3HB   ALA  34          3HB       ALA  34   2.976 -10.951   1.615
  294    HA   PRO  35           HA       PRO  35   7.400  -9.683   4.642
  295   1HB   PRO  35          2HB       PRO  35   8.061 -11.949   6.258
  296   2HB   PRO  35          1HB       PRO  35   7.910 -10.265   6.777
  297   1HG   PRO  35          2HG       PRO  35   6.117 -12.459   7.333
  298   2HG   PRO  35          1HG       PRO  35   5.997 -10.783   7.888
  299   1HD   PRO  35          2HD       PRO  35   4.396 -12.096   5.889
  300   2HD   PRO  35          1HD       PRO  35   4.287 -10.417   6.443
  301    H    GLU  36           H        GLU  36   8.842 -10.322   3.082
  302    HA   GLU  36           HA       GLU  36   8.342 -12.631   1.492
  303   1HB   GLU  36          2HB       GLU  36   9.850 -10.332   1.213
  304   2HB   GLU  36          1HB       GLU  36  11.082 -11.579   1.406
  305   1HG   GLU  36          2HG       GLU  36   9.233 -12.751  -0.310
  306   2HG   GLU  36          1HG       GLU  36   9.300 -11.073  -0.853
  307    H    GLY  37           H        GLY  37   8.274 -14.051   3.561
  308   1HA   GLY  37          2HA       GLY  37  10.919 -15.303   3.796
  309   2HA   GLY  37          1HA       GLY  37  10.099 -14.809   5.277
  310    H    LYS  38           H        LYS  38   7.455 -15.510   4.756
  311    HA   LYS  38           HA       LYS  38   7.423 -18.234   3.753
  312   1HB   LYS  38          2HB       LYS  38   7.637 -17.603   6.631
  313   2HB   LYS  38          1HB       LYS  38   6.382 -18.767   6.206
  314   1HG   LYS  38          2HG       LYS  38   8.076 -20.069   4.918
  315   2HG   LYS  38          1HG       LYS  38   9.318 -18.944   5.470
  316   1HD   LYS  38          2HD       LYS  38   9.468 -20.691   7.035
  317   2HD   LYS  38          1HD       LYS  38   8.444 -19.514   7.857
  318   1HE   LYS  38          2HE       LYS  38   6.446 -20.758   6.873
  319   2HE   LYS  38          1HE       LYS  38   7.580 -22.027   6.413
  320   1HZ   LYS  38          1HZ       LYS  38   7.350 -21.038   9.141
  321   2HZ   LYS  38          2HZ       LYS  38   8.107 -22.359   8.647
  322   3HZ   LYS  38          3HZ       LYS  38   6.508 -22.292   8.609
  323    H    ASP  39           H        ASP  39   5.332 -17.095   6.340
  324    HA   ASP  39           HA       ASP  39   2.948 -17.759   5.264
  325   1HB   ASP  39          2HB       ASP  39   3.554 -15.296   6.909
  326   2HB   ASP  39          1HB       ASP  39   1.948 -15.988   6.678
  327    H    ARG  40           H        ARG  40   3.037 -17.372   2.958
  328    HA   ARG  40           HA       ARG  40   3.423 -15.233   1.465
  329   1HB   ARG  40          2HB       ARG  40   0.790 -16.670   1.262
  330   2HB   ARG  40          1HB       ARG  40   1.714 -15.925  -0.031
  331   1HG   ARG  40          2HG       ARG  40   3.543 -17.682   1.068
  332   2HG   ARG  40          1HG       ARG  40   2.026 -18.576   1.176
  333   1HD   ARG  40          2HD       ARG  40   3.385 -17.473  -1.279
  334   2HD   ARG  40          1HD       ARG  40   2.831 -19.120  -0.973
  335    HE   ARG  40           HE       ARG  40   0.539 -17.633  -0.880
  336   1HH1  ARG  40          1HH2      ARG  40   3.179 -18.020  -3.077
  337   2HH1  ARG  40          2HH2      ARG  40   2.219 -17.710  -4.484
  338   1HH2  ARG  40          1HH1      ARG  40  -0.718 -17.228  -2.709
  339   2HH2  ARG  40          2HH1      ARG  40   0.017 -17.262  -4.277
  340    H    PHE  41           H        PHE  41   0.900 -15.361   3.811
  341    HA   PHE  41           HA       PHE  41   0.268 -12.565   3.108
  342   1HB   PHE  41          2HB       PHE  41  -1.611 -14.843   3.671
  343   2HB   PHE  41          1HB       PHE  41  -2.107 -13.164   3.924
  344    HD1  PHE  41           HD1      PHE  41  -1.043 -11.577   1.925
  345    HD2  PHE  41           HD2      PHE  41  -2.279 -15.680   1.595
  346    HE1  PHE  41           HE1      PHE  41  -1.317 -11.301  -0.532
  347    HE2  PHE  41           HE2      PHE  41  -2.564 -15.403  -0.852
  348    HZ   PHE  41           HZ       PHE  41  -2.075 -13.221  -1.913
  349    H    THR  42           H        THR  42   0.187 -11.154   4.782
  350    HA   THR  42           HA       THR  42   0.194 -12.260   7.517
  351    HB   THR  42           HB       THR  42   2.476 -11.342   6.257
  352    HG1  THR  42           HG1      THR  42   3.232 -11.938   8.109
  353   1HG2  THR  42          1HG2      THR  42   1.905  -9.142   8.193
  354   2HG2  THR  42          2HG2      THR  42   1.255  -8.992   6.561
  355   3HG2  THR  42          3HG2      THR  42   2.988  -9.169   6.803
  356    H    ILE  43           H        ILE  43  -0.828  -9.798   5.320
  357    HA   ILE  43           HA       ILE  43  -2.437  -8.645   7.498
  358    HB   ILE  43           HB       ILE  43  -0.032  -7.458   6.621
  359   1HG1  ILE  43          2HG1      ILE  43  -2.273  -6.676   8.459
  360   2HG1  ILE  43          1HG1      ILE  43  -0.660  -7.265   8.872
  361   1HG2  ILE  43          1HG2      ILE  43  -1.622  -6.466   4.796
  362   2HG2  ILE  43          2HG2      ILE  43  -0.605  -5.357   5.698
  363   3HG2  ILE  43          3HG2      ILE  43  -2.304  -5.538   6.124
  364   1HD1  ILE  43          1HD1      ILE  43  -0.078  -5.088   9.106
  365   2HD1  ILE  43          2HD1      ILE  43  -1.550  -4.542   8.300
  366   3HD1  ILE  43          3HD1      ILE  43  -0.142  -5.007   7.341
  367    H    SER  44           H        SER  44  -4.058  -7.183   6.804
  368    HA   SER  44           HA       SER  44  -4.578  -6.711   4.049
  369   1HB   SER  44          2HB       SER  44  -5.424  -8.836   3.718
  370   2HB   SER  44          1HB       SER  44  -5.874  -9.031   5.409
  371    HG   SER  44           HG       SER  44  -7.482  -8.468   3.499
  372    H    HIS  45           H        HIS  45  -5.078  -4.573   4.553
  373    HA   HIS  45           HA       HIS  45  -7.209  -4.180   6.571
  374   1HB   HIS  45          2HB       HIS  45  -6.080  -1.688   5.781
  375   2HB   HIS  45          1HB       HIS  45  -6.036  -2.441   7.370
  376    HD1  HIS  45           HD1      HIS  45  -3.707  -2.656   8.196
  377    HD2  HIS  45           HD2      HIS  45  -3.889  -3.039   4.060
  378    HE1  HIS  45           HE1      HIS  45  -1.319  -2.934   7.396
  379    H    MET  46           H        MET  46  -9.138  -3.770   5.710
  380    HA   MET  46           HA       MET  46  -9.485  -3.284   2.917
  381   1HB   MET  46          2HB       MET  46 -11.150  -3.890   5.175
  382   2HB   MET  46          1HB       MET  46 -11.843  -2.540   4.281
  383   1HG   MET  46          2HG       MET  46 -12.260  -3.811   2.426
  384   2HG   MET  46          1HG       MET  46 -10.802  -4.780   2.639
  385   1HE   MET  46          1HE       MET  46 -11.657  -6.872   5.719
  386   2HE   MET  46          2HE       MET  46 -10.498  -5.779   4.967
  387   3HE   MET  46          3HE       MET  46 -10.909  -7.297   4.173
  388    H    TYR  47           H        TYR  47  -9.143  -1.419   1.955
  389    HA   TYR  47           HA       TYR  47  -8.463   0.979   3.020
  390   1HB   TYR  47          2HB       TYR  47  -9.913   0.296   0.472
  391   2HB   TYR  47          1HB       TYR  47  -9.620   1.990   0.884
  392    HD1  TYR  47           HD1      TYR  47  -8.303   1.158  -1.544
  393    HD2  TYR  47           HD2      TYR  47  -6.978   0.449   2.501
  394    HE1  TYR  47           HE1      TYR  47  -5.983   1.023  -2.309
  395    HE2  TYR  47           HE2      TYR  47  -4.658   0.311   1.698
  396    HH   TYR  47           HH       TYR  47  -3.320   1.089  -0.195
  397    H    ALA  48           H        ALA  48 -11.908  -0.011   2.521
  398    HA   ALA  48           HA       ALA  48 -12.925   2.438   3.649
  399   1HB   ALA  48          1HB       ALA  48 -14.145  -0.316   3.292
  400   2HB   ALA  48          2HB       ALA  48 -14.403   1.103   2.277
  401   3HB   ALA  48          3HB       ALA  48 -15.039   1.068   3.922
  402    H    ASP  49           H        ASP  49 -11.974  -0.647   4.809
  403    HA   ASP  49           HA       ASP  49 -12.828  -0.458   7.534
  404   1HB   ASP  49          2HB       ASP  49 -10.745  -2.152   6.146
  405   2HB   ASP  49          1HB       ASP  49 -11.115  -2.300   7.863
  406    H    ILE  50           H        ILE  50 -10.654   1.329   5.889
  407    HA   ILE  50           HA       ILE  50  -9.229   2.024   8.361
  408    HB   ILE  50           HB       ILE  50  -7.087   2.150   7.153
  409   1HG1  ILE  50          2HG1      ILE  50  -8.671   0.981   4.850
  410   2HG1  ILE  50          1HG1      ILE  50  -8.039   2.626   4.915
  411   1HG2  ILE  50          1HG2      ILE  50  -6.693  -0.030   7.603
  412   2HG2  ILE  50          2HG2      ILE  50  -7.808  -0.560   6.344
  413   3HG2  ILE  50          3HG2      ILE  50  -8.418  -0.161   7.950
  414   1HD1  ILE  50          1HD1      ILE  50  -5.763   1.313   5.437
  415   2HD1  ILE  50          2HD1      ILE  50  -6.296   1.625   3.785
  416   3HD1  ILE  50          3HD1      ILE  50  -6.586   0.049   4.522
  417    H    LYS  51           H        LYS  51  -9.121   4.421   8.532
  418    HA   LYS  51           HA       LYS  51  -9.524   5.725   5.917
  419   1HB   LYS  51          2HB       LYS  51 -11.717   5.662   7.026
  420   2HB   LYS  51          1HB       LYS  51 -11.019   6.477   8.426
  421   1HG   LYS  51          2HG       LYS  51 -12.143   8.033   6.750
  422   2HG   LYS  51          1HG       LYS  51 -10.467   8.421   7.154
  423   1HD   LYS  51          2HD       LYS  51  -9.651   7.411   5.129
  424   2HD   LYS  51          1HD       LYS  51 -11.252   6.770   4.742
  425   1HE   LYS  51          2HE       LYS  51 -10.381   9.030   3.646
  426   2HE   LYS  51          1HE       LYS  51 -12.075   8.835   4.093
  427   1HZ   LYS  51          1HZ       LYS  51 -10.069  10.016   5.848
  428   2HZ   LYS  51          2HZ       LYS  51 -11.650   9.980   6.090
  429   3HZ   LYS  51          3HZ       LYS  51 -11.042  10.880   4.915
  430    H    CYS  52           H        CYS  52  -7.656   6.639   5.747
  431    HA   CYS  52           HA       CYS  52  -7.072   9.085   6.787
  432   1HB   CYS  52          2HB       CYS  52  -6.173   6.878   8.450
  433   2HB   CYS  52          1HB       CYS  52  -4.877   7.984   8.010
  434    HG   CYS  52           HG       CYS  52  -7.415   9.379   9.049
  435    H    GLN  53           H        GLN  53  -5.507   9.879   5.312
  436    HA   GLN  53           HA       GLN  53  -3.827   7.788   4.079
  437   1HB   GLN  53          2HB       GLN  53  -5.680   9.679   2.631
  438   2HB   GLN  53          1HB       GLN  53  -4.380   8.797   1.828
  439   1HG   GLN  53          2HG       GLN  53  -5.971   7.186   1.559
  440   2HG   GLN  53          1HG       GLN  53  -5.566   6.782   3.226
  441   1HE2  GLN  53          1HE2      GLN  53  -8.056   6.053   2.818
  442   2HE2  GLN  53          2HE2      GLN  53  -9.200   7.194   3.335
  443    H    LYS  54           H        LYS  54  -1.855   8.365   4.095
  444    HA   LYS  54           HA       LYS  54  -1.106  11.212   3.817
  445   1HB   LYS  54          2HB       LYS  54  -0.631   9.332   5.934
  446   2HB   LYS  54          1HB       LYS  54   0.907   9.680   5.151
  447   1HG   LYS  54          2HG       LYS  54  -1.022  11.841   6.013
  448   2HG   LYS  54          1HG       LYS  54   0.257  11.228   7.061
  449   1HD   LYS  54          2HD       LYS  54   0.682  12.436   4.310
  450   2HD   LYS  54          1HD       LYS  54   0.985  13.259   5.840
  451   1HE   LYS  54          2HE       LYS  54   2.448  11.094   6.322
  452   2HE   LYS  54          1HE       LYS  54   2.502  11.020   4.560
  453   1HZ   LYS  54          1HZ       LYS  54   4.105  12.500   4.770
  454   2HZ   LYS  54          2HZ       LYS  54   3.771  12.842   6.297
  455   3HZ   LYS  54          3HZ       LYS  54   2.983  13.587   5.120
  456    H    ILE  55           H        ILE  55  -0.175  11.333   1.764
  457    HA   ILE  55           HA       ILE  55   1.913   9.375   1.165
  458    HB   ILE  55           HB       ILE  55   0.738   9.397  -1.265
  459   1HG1  ILE  55          2HG1      ILE  55  -1.712   9.019  -0.909
  460   2HG1  ILE  55          1HG1      ILE  55  -1.517   9.545   0.763
  461   1HG2  ILE  55          1HG2      ILE  55  -0.321   7.187  -0.525
  462   2HG2  ILE  55          2HG2      ILE  55   0.266   7.569   1.094
  463   3HG2  ILE  55          3HG2      ILE  55   1.409   7.360  -0.232
  464   1HD1  ILE  55          1HD1      ILE  55  -0.800  11.226  -1.656
  465   2HD1  ILE  55          2HD1      ILE  55  -0.756  11.741   0.030
  466   3HD1  ILE  55          3HD1      ILE  55  -2.300  11.380  -0.741
  467    H    SER  56           H        SER  56   3.493  10.922   1.037
  468    HA   SER  56           HA       SER  56   3.035  13.049  -0.961
  469   1HB   SER  56          2HB       SER  56   3.251  14.112   1.171
  470   2HB   SER  56          1HB       SER  56   4.619  13.093   1.611
  471    HG   SER  56           HG       SER  56   4.797  15.413   0.573
  472    HA   PRO  57           HA       PRO  57   7.040  10.543  -1.450
  473   1HB   PRO  57          2HB       PRO  57   6.127   8.634  -3.390
  474   2HB   PRO  57          1HB       PRO  57   6.815   8.378  -1.789
  475   1HG   PRO  57          2HG       PRO  57   4.072   8.084  -2.595
  476   2HG   PRO  57          1HG       PRO  57   4.794   7.681  -1.048
  477   1HD   PRO  57          2HD       PRO  57   3.074   9.893  -1.640
  478   2HD   PRO  57          1HD       PRO  57   3.887   9.538  -0.107
  479    H    GLU  58           H        GLU  58   4.655  12.048  -3.292
  480    HA   GLU  58           HA       GLU  58   5.658  12.025  -5.875
  481   1HB   GLU  58          2HB       GLU  58   4.447  14.004  -6.199
  482   2HB   GLU  58          1HB       GLU  58   3.648  13.321  -4.786
  483   1HG   GLU  58          2HG       GLU  58   5.022  14.729  -3.306
  484   2HG   GLU  58          1HG       GLU  58   5.838  15.414  -4.712
  485    H    GLY  59           H        GLY  59   6.872  13.586  -2.967
  486   1HA   GLY  59          2HA       GLY  59   9.383  14.118  -4.385
  487   2HA   GLY  59          1HA       GLY  59   8.610  15.460  -3.541
  488    H    LYS  60           H        LYS  60   8.611  12.082  -2.376
  489    HA   LYS  60           HA       LYS  60   9.774  13.093   0.104
  490   1HB   LYS  60          2HB       LYS  60   8.609  10.405  -0.660
  491   2HB   LYS  60          1HB       LYS  60   9.341  10.738   0.910
  492   1HG   LYS  60          2HG       LYS  60   7.438  12.808   0.134
  493   2HG   LYS  60          1HG       LYS  60   6.691  11.214   0.249
  494   1HD   LYS  60          2HD       LYS  60   6.690  11.405   2.487
  495   2HD   LYS  60          1HD       LYS  60   8.453  11.455   2.458
  496   1HE   LYS  60          2HE       LYS  60   7.106  13.979   1.700
  497   2HE   LYS  60          1HE       LYS  60   6.909  13.495   3.384
  498   1HZ   LYS  60          1HZ       LYS  60   9.251  13.365   3.576
  499   2HZ   LYS  60          2HZ       LYS  60   8.898  14.808   2.983
  500   3HZ   LYS  60          3HZ       LYS  60   9.481  13.670   2.022
  501    H    ALA  61           H        ALA  61  10.575   9.826  -0.320
  502    HA   ALA  61           HA       ALA  61  13.326  10.597  -1.069
  503   1HB   ALA  61          1HB       ALA  61  13.611  10.075   1.171
  504   2HB   ALA  61          2HB       ALA  61  13.825   8.481   0.447
  505   3HB   ALA  61          3HB       ALA  61  12.281   8.917   1.177
  506    H    LYS  62           H        LYS  62  10.930   7.917  -0.983
  507    HA   LYS  62           HA       LYS  62  11.713   7.178  -3.623
  508   1HB   LYS  62          2HB       LYS  62  12.230   4.728  -2.453
  509   2HB   LYS  62          1HB       LYS  62  13.433   5.811  -3.143
  510   1HG   LYS  62          2HG       LYS  62  13.809   6.856  -0.969
  511   2HG   LYS  62          1HG       LYS  62  12.463   5.955  -0.260
  512   1HD   LYS  62          2HD       LYS  62  13.712   4.084   0.010
  513   2HD   LYS  62          1HD       LYS  62  14.471   4.252  -1.574
  514   1HE   LYS  62          2HE       LYS  62  16.332   4.775  -0.372
  515   2HE   LYS  62          1HE       LYS  62  15.579   6.363  -0.240
  516   1HZ   LYS  62          1HZ       LYS  62  15.077   5.985   1.879
  517   2HZ   LYS  62          2HZ       LYS  62  16.255   4.904   1.833
  518   3HZ   LYS  62          3HZ       LYS  62  14.733   4.435   1.679
  519    H    ILE  63           H        ILE  63   9.147   7.659  -2.131
  520    HA   ILE  63           HA       ILE  63   7.119   6.936  -2.525
  521    HB   ILE  63           HB       ILE  63   6.511   5.380  -3.891
  522   1HG1  ILE  63          2HG1      ILE  63   6.599   3.495  -2.358
  523   2HG1  ILE  63          1HG1      ILE  63   7.298   3.013  -3.880
  524   1HG2  ILE  63          1HG2      ILE  63   9.017   6.183  -4.563
  525   2HG2  ILE  63          2HG2      ILE  63   7.974   5.203  -5.587
  526   3HG2  ILE  63          3HG2      ILE  63   9.209   4.428  -4.598
  527   1HD1  ILE  63          1HD1      ILE  63   9.459   2.979  -3.020
  528   2HD1  ILE  63          2HD1      ILE  63   8.497   2.421  -1.667
  529   3HD1  ILE  63          3HD1      ILE  63   9.046   4.073  -1.699
  530    H    GLN  64           H        GLN  64   6.875   7.412  -0.439
  531    HA   GLN  64           HA       GLN  64   6.520   5.066   1.352
  532   1HB   GLN  64          2HB       GLN  64   7.158   6.364   3.219
  533   2HB   GLN  64          1HB       GLN  64   8.303   6.841   1.967
  534   1HG   GLN  64          2HG       GLN  64   6.487   8.674   1.427
  535   2HG   GLN  64          1HG       GLN  64   5.986   8.369   3.090
  536   1HE2  GLN  64          1HE2      GLN  64   9.288   8.386   1.645
  537   2HE2  GLN  64          2HE2      GLN  64   9.897   9.581   2.687
  538    H    LEU  65           H        LEU  65   4.464   4.844   2.285
  539    HA   LEU  65           HA       LEU  65   2.625   7.114   1.881
  540   1HB   LEU  65          2HB       LEU  65   0.870   5.680   1.051
  541   2HB   LEU  65          1HB       LEU  65   2.305   5.415   0.078
  542    HG   LEU  65           HG       LEU  65   1.250   3.288   0.563
  543   1HD1  LEU  65          1HD1      LEU  65   3.881   3.791   0.894
  544   2HD1  LEU  65          2HD1      LEU  65   3.175   2.177   0.986
  545   3HD1  LEU  65          3HD1      LEU  65   3.486   3.086   2.463
  546   1HD2  LEU  65          1HD2      LEU  65   1.772   3.497   3.494
  547   2HD2  LEU  65          2HD2      LEU  65   0.572   2.533   2.635
  548   3HD2  LEU  65          3HD2      LEU  65   0.321   4.267   2.849
  549    H    GLN  66           H        GLN  66   0.639   6.934   3.250
  550    HA   GLN  66           HA       GLN  66   0.963   5.240   5.619
  551   1HB   GLN  66          2HB       GLN  66   1.724   7.996   5.554
  552   2HB   GLN  66          1HB       GLN  66   0.286   7.838   6.563
  553   1HG   GLN  66          2HG       GLN  66   1.327   6.283   8.012
  554   2HG   GLN  66          1HG       GLN  66   2.622   5.952   6.858
  555   1HE2  GLN  66          1HE2      GLN  66   1.262   8.946   8.371
  556   2HE2  GLN  66          2HE2      GLN  66   2.774   9.580   8.808
  557    H    LEU  67           H        LEU  67  -0.947   4.701   6.505
  558    HA   LEU  67           HA       LEU  67  -3.410   6.134   5.715
  559   1HB   LEU  67          2HB       LEU  67  -2.588   3.739   4.532
  560   2HB   LEU  67          1HB       LEU  67  -3.716   3.225   5.784
  561    HG   LEU  67           HG       LEU  67  -4.441   5.512   3.977
  562   1HD1  LEU  67          1HD1      LEU  67  -5.650   3.174   2.963
  563   2HD1  LEU  67          2HD1      LEU  67  -3.938   2.789   3.140
  564   3HD1  LEU  67          3HD1      LEU  67  -4.434   4.173   2.166
  565   1HD2  LEU  67          1HD2      LEU  67  -5.663   4.344   6.134
  566   2HD2  LEU  67          2HD2      LEU  67  -6.382   3.443   4.802
  567   3HD2  LEU  67          3HD2      LEU  67  -6.527   5.198   4.855
  568    H    VAL  68           H        VAL  68  -5.089   5.882   7.323
  569    HA   VAL  68           HA       VAL  68  -4.157   4.367   9.670
  570    HB   VAL  68           HB       VAL  68  -5.837   6.810  10.097
  571   1HG1  VAL  68          1HG1      VAL  68  -3.910   5.148  11.717
  572   2HG1  VAL  68          2HG1      VAL  68  -5.645   5.343  11.985
  573   3HG1  VAL  68          3HG1      VAL  68  -4.549   6.690  12.276
  574   1HG2  VAL  68          1HG2      VAL  68  -3.033   7.138  10.696
  575   2HG2  VAL  68          2HG2      VAL  68  -4.094   8.203   9.770
  576   3HG2  VAL  68          3HG2      VAL  68  -3.272   6.860   8.973
  577    H    LEU  69           H        LEU  69  -5.726   3.642  11.026
  578    HA   LEU  69           HA       LEU  69  -7.980   2.571   9.560
  579   1HB   LEU  69          2HB       LEU  69  -6.930   2.100  12.364
  580   2HB   LEU  69          1HB       LEU  69  -8.089   1.076  11.544
  581    HG   LEU  69           HG       LEU  69  -5.285   0.806  11.529
  582   1HD1  LEU  69          1HD1      LEU  69  -6.412  -1.152  11.182
  583   2HD1  LEU  69          2HD1      LEU  69  -5.844  -0.804   9.543
  584   3HD1  LEU  69          3HD1      LEU  69  -7.510  -0.429  10.005
  585   1HD2  LEU  69          1HD2      LEU  69  -6.229   1.991   8.937
  586   2HD2  LEU  69          2HD2      LEU  69  -4.883   0.854   8.986
  587   3HD2  LEU  69          3HD2      LEU  69  -4.781   2.376   9.869
  588    H    HIS  70           H        HIS  70 -10.192   2.993  10.164
  589    HA   HIS  70           HA       HIS  70 -10.905   5.468  11.182
  590   1HB   HIS  70          2HB       HIS  70 -13.028   4.209  12.017
  591   2HB   HIS  70          1HB       HIS  70 -12.682   4.171  10.288
  592    HD1  HIS  70           HD1      HIS  70 -12.217   2.042  13.403
  593    HD2  HIS  70           HD2      HIS  70 -12.275   1.614   9.257
  594    HE1  HIS  70           HE1      HIS  70 -12.117  -0.445  12.939
  595    H    ALA  71           H        ALA  71  -9.953   2.554  12.690
  596    HA   ALA  71           HA       ALA  71 -10.423   3.345  15.426
  597   1HB   ALA  71          1HB       ALA  71 -10.079   0.933  14.370
  598   2HB   ALA  71          2HB       ALA  71  -9.532   1.276  16.011
  599   3HB   ALA  71          3HB       ALA  71  -8.378   1.283  14.678
  600    H    GLY  72           H        GLY  72  -7.783   2.612  16.416
  601   1HA   GLY  72          2HA       GLY  72  -6.363   5.085  15.682
  602   2HA   GLY  72          1HA       GLY  72  -6.257   4.280  17.250
  603    H    ASP  73           H        ASP  73  -5.988   3.208  13.961
  604    HA   ASP  73           HA       ASP  73  -3.291   2.164  14.618
  605   1HB   ASP  73          2HB       ASP  73  -5.616   0.747  13.363
  606   2HB   ASP  73          1HB       ASP  73  -3.972   0.275  12.932
  607    H    THR  74           H        THR  74  -1.771   2.642  13.180
  608    HA   THR  74           HA       THR  74  -2.655   3.995  10.714
  609    HB   THR  74           HB       THR  74   0.182   4.123  11.576
  610    HG1  THR  74           HG1      THR  74  -1.639   5.841  12.817
  611   1HG2  THR  74          1HG2      THR  74  -0.146   5.519   9.786
  612   2HG2  THR  74          2HG2      THR  74  -0.596   6.646  11.066
  613   3HG2  THR  74          3HG2      THR  74  -1.847   5.783  10.171
  614    H    THR  75           H        THR  75  -1.233   3.573   8.769
  615    HA   THR  75           HA       THR  75   0.060   0.956   8.910
  616    HB   THR  75           HB       THR  75  -1.897   1.809   6.753
  617    HG1  THR  75           HG1      THR  75  -2.877  -0.239   7.844
  618   1HG2  THR  75          1HG2      THR  75  -0.257   0.335   5.841
  619   2HG2  THR  75          2HG2      THR  75  -1.668  -0.668   6.182
  620   3HG2  THR  75          3HG2      THR  75  -0.283  -0.692   7.275
  621    H    ASN  76           H        ASN  76   2.132   1.766   8.480
  622    HA   ASN  76           HA       ASN  76   2.332   3.734   6.285
  623   1HB   ASN  76          2HB       ASN  76   4.393   3.038   8.395
  624   2HB   ASN  76          1HB       ASN  76   4.457   4.377   7.249
  625   1HD2  ASN  76          1HD2      ASN  76   4.609   5.738   9.314
  626   2HD2  ASN  76          2HD2      ASN  76   3.164   6.159  10.099
  627    H    PHE  77           H        PHE  77   3.774   3.249   4.558
  628    HA   PHE  77           HA       PHE  77   5.196   0.713   4.779
  629   1HB   PHE  77          2HB       PHE  77   2.666   0.954   3.461
  630   2HB   PHE  77          1HB       PHE  77   3.916   0.612   2.275
  631    HD1  PHE  77           HD1      PHE  77   5.818  -1.027   3.446
  632    HD2  PHE  77           HD2      PHE  77   1.594  -1.023   4.203
  633    HE1  PHE  77           HE1      PHE  77   5.947  -3.379   4.160
  634    HE2  PHE  77           HE2      PHE  77   1.721  -3.380   4.898
  635    HZ   PHE  77           HZ       PHE  77   3.925  -4.545   4.861
  636    H    HIS  78           H        HIS  78   6.816   0.495   3.368
  637    HA   HIS  78           HA       HIS  78   7.307   2.709   1.472
  638   1HB   HIS  78          2HB       HIS  78   8.534   3.193   3.606
  639   2HB   HIS  78          1HB       HIS  78   9.442   1.700   3.380
  640    HD1  HIS  78           HD1      HIS  78  11.010   1.545   1.330
  641    HD2  HIS  78           HD2      HIS  78   9.323   5.326   1.783
  642    HE1  HIS  78           HE1      HIS  78  12.160   3.078  -0.287
  643    H    PHE  79           H        PHE  79   9.032   2.236  -0.011
  644    HA   PHE  79           HA       PHE  79   9.660  -0.617  -0.423
  645   1HB   PHE  79          2HB       PHE  79   8.730   1.061  -2.726
  646   2HB   PHE  79          1HB       PHE  79   8.845  -0.675  -2.609
  647    HD1  PHE  79           HD1      PHE  79   7.040   2.029  -0.628
  648    HD2  PHE  79           HD2      PHE  79   6.778  -1.694  -2.771
  649    HE1  PHE  79           HE1      PHE  79   4.596   1.945  -0.224
  650    HE2  PHE  79           HE2      PHE  79   4.356  -1.763  -2.336
  651    HZ   PHE  79           HZ       PHE  79   3.273   0.039  -1.085
  652    H    SER  80           H        SER  80  11.871  -0.801  -1.492
  653    HA   SER  80           HA       SER  80  12.836   1.192  -3.103
  654   1HB   SER  80          2HB       SER  80  13.335   2.789  -1.573
  655   2HB   SER  80          1HB       SER  80  13.332   1.648  -0.225
  656    HG   SER  80           HG       SER  80  15.436   2.508  -0.831
  657    H    ASN  81           H        ASN  81  15.001   0.601  -3.792
  658    HA   ASN  81           HA       ASN  81  16.183  -1.752  -2.533
  659   1HB   ASN  81          2HB       ASN  81  14.613  -1.834  -4.998
  660   2HB   ASN  81          1HB       ASN  81  16.248  -2.456  -5.213
  661   1HD2  ASN  81          1HD2      ASN  81  14.594  -2.630  -2.099
  662   2HD2  ASN  81          2HD2      ASN  81  14.388  -4.307  -2.102
  663    H    GLU  82           H        GLU  82  18.265  -2.308  -3.958
  664    HA   GLU  82           HA       GLU  82  19.947  -0.093  -3.950
  665   1HB   GLU  82          2HB       GLU  82  21.402  -1.406  -5.474
  666   2HB   GLU  82          1HB       GLU  82  20.784  -2.407  -4.160
  667   1HG   GLU  82          2HG       GLU  82  18.842  -2.949  -5.826
  668   2HG   GLU  82          1HG       GLU  82  19.972  -2.383  -7.056
  669    H    SER  83           H        SER  83  17.799  -1.357  -6.437
  670    HA   SER  83           HA       SER  83  17.838   1.253  -7.733
  671   1HB   SER  83          2HB       SER  83  18.070  -0.948  -9.665
  672   2HB   SER  83          1HB       SER  83  18.835   0.638  -9.667
  673    HG   SER  83           HG       SER  83  20.477  -0.139  -8.536
  674    H    THR  84           H        THR  84  15.931  -0.894  -6.329
  675    HA   THR  84           HA       THR  84  14.002  -0.957  -8.566
  676    HB   THR  84           HB       THR  84  14.792  -2.915  -6.609
  677    HG1  THR  84           HG1      THR  84  13.392  -4.172  -7.968
  678   1HG2  THR  84          1HG2      THR  84  12.751  -3.613  -5.640
  679   2HG2  THR  84          2HG2      THR  84  11.801  -2.539  -6.667
  680   3HG2  THR  84          3HG2      THR  84  12.788  -1.871  -5.367
  681    H    ALA  85           H        ALA  85  14.670   1.291  -6.482
  682    HA   ALA  85           HA       ALA  85  11.989   1.516  -5.284
  683   1HB   ALA  85          1HB       ALA  85  14.477   2.273  -4.327
  684   2HB   ALA  85          2HB       ALA  85  12.943   2.927  -3.754
  685   3HB   ALA  85          3HB       ALA  85  13.860   3.784  -4.992
  686    H    VAL  86           H        VAL  86  11.263   1.606  -7.608
  687    HA   VAL  86           HA       VAL  86  10.999   4.394  -8.369
  688    HB   VAL  86           HB       VAL  86  11.810   4.083 -10.647
  689   1HG1  VAL  86          1HG1      VAL  86  14.162   3.936 -10.170
  690   2HG1  VAL  86          2HG1      VAL  86  13.869   2.964  -8.728
  691   3HG1  VAL  86          3HG1      VAL  86  13.399   4.664  -8.756
  692   1HG2  VAL  86          1HG2      VAL  86  13.132   1.522 -10.256
  693   2HG2  VAL  86          2HG2      VAL  86  12.071   2.037 -11.568
  694   3HG2  VAL  86          3HG2      VAL  86  11.383   1.364 -10.090
  695    H    LYS  87           H        LYS  87  10.258   3.191 -11.152
  696    HA   LYS  87           HA       LYS  87   7.611   3.379 -11.209
  697   1HB   LYS  87          2HB       LYS  87   9.551   1.713 -12.673
  698   2HB   LYS  87          1HB       LYS  87   7.875   1.177 -12.790
  699   1HG   LYS  87          2HG       LYS  87   7.280   2.951 -14.067
  700   2HG   LYS  87          1HG       LYS  87   8.189   4.084 -13.065
  701   1HD   LYS  87          2HD       LYS  87  10.298   3.263 -14.144
  702   2HD   LYS  87          1HD       LYS  87   9.312   2.278 -15.226
  703   1HE   LYS  87          2HE       LYS  87   9.781   4.310 -16.408
  704   2HE   LYS  87          1HE       LYS  87   8.102   4.418 -15.881
  705   1HZ   LYS  87          1HZ       LYS  87  10.259   6.043 -15.170
  706   2HZ   LYS  87          2HZ       LYS  87   9.585   5.427 -13.857
  707   3HZ   LYS  87          3HZ       LYS  87   8.699   6.269 -14.890
  708    H    GLU  88           H        GLU  88   9.194   0.268 -10.272
  709    HA   GLU  88           HA       GLU  88   6.928  -1.255  -9.949
  710   1HB   GLU  88          2HB       GLU  88   8.300  -2.122  -7.822
  711   2HB   GLU  88          1HB       GLU  88   8.851  -2.451  -9.454
  712   1HG   GLU  88          2HG       GLU  88   9.802   0.136  -8.520
  713   2HG   GLU  88          1HG       GLU  88  10.321  -1.181  -7.471
  714    H    ARG  89           H        ARG  89   8.459   0.142  -7.116
  715    HA   ARG  89           HA       ARG  89   6.168   0.080  -5.513
  716   1HB   ARG  89          2HB       ARG  89   8.348   2.100  -5.111
  717   2HB   ARG  89          1HB       ARG  89   7.473   1.147  -3.916
  718   1HG   ARG  89          2HG       ARG  89   9.643   0.205  -5.810
  719   2HG   ARG  89          1HG       ARG  89   9.672   0.177  -4.058
  720   1HD   ARG  89          2HD       ARG  89   8.079  -1.581  -3.946
  721   2HD   ARG  89          1HD       ARG  89   7.594  -1.363  -5.620
  722    HE   ARG  89           HE       ARG  89  10.237  -2.002  -5.802
  723   1HH1  ARG  89          1HH2      ARG  89   7.482  -3.320  -4.187
  724   2HH1  ARG  89          2HH2      ARG  89   8.014  -4.958  -4.343
  725   1HH2  ARG  89          1HH1      ARG  89  10.939  -4.142  -6.006
  726   2HH2  ARG  89          2HH1      ARG  89   9.967  -5.424  -5.365
  727    H    ASP  90           H        ASP  90   7.687   2.647  -7.316
  728    HA   ASP  90           HA       ASP  90   5.900   4.736  -6.729
  729   1HB   ASP  90          2HB       ASP  90   8.115   4.627  -8.219
  730   2HB   ASP  90          1HB       ASP  90   6.933   4.492  -9.522
  731    H    ALA  91           H        ALA  91   5.301   1.790  -8.368
  732    HA   ALA  91           HA       ALA  91   3.058   2.896  -9.888
  733   1HB   ALA  91          1HB       ALA  91   4.232   0.108  -9.733
  734   2HB   ALA  91          2HB       ALA  91   4.461   1.268 -11.042
  735   3HB   ALA  91          3HB       ALA  91   2.868   0.569 -10.751
  736    H    VAL  92           H        VAL  92   3.782   0.763  -7.120
  737    HA   VAL  92           HA       VAL  92   0.992   0.066  -6.769
  738    HB   VAL  92           HB       VAL  92   1.890  -0.391  -4.329
  739   1HG1  VAL  92          1HG1      VAL  92   2.780  -1.979  -6.755
  740   2HG1  VAL  92          2HG1      VAL  92   1.231  -2.131  -5.925
  741   3HG1  VAL  92          3HG1      VAL  92   2.720  -2.598  -5.104
  742   1HG2  VAL  92          1HG2      VAL  92   4.032   0.864  -4.796
  743   2HG2  VAL  92          2HG2      VAL  92   4.469  -0.436  -5.906
  744   3HG2  VAL  92          3HG2      VAL  92   4.257  -0.774  -4.190
  745    H    LYS  93           H        LYS  93   3.245   2.457  -5.494
  746    HA   LYS  93           HA       LYS  93   1.358   3.697  -3.734
  747   1HB   LYS  93          2HB       LYS  93   3.657   4.116  -3.299
  748   2HB   LYS  93          1HB       LYS  93   3.983   4.542  -4.978
  749   1HG   LYS  93          2HG       LYS  93   1.974   6.329  -4.169
  750   2HG   LYS  93          1HG       LYS  93   3.076   6.234  -2.798
  751   1HD   LYS  93          2HD       LYS  93   4.852   7.106  -3.975
  752   2HD   LYS  93          1HD       LYS  93   4.282   6.463  -5.518
  753   1HE   LYS  93          2HE       LYS  93   2.857   8.693  -4.050
  754   2HE   LYS  93          1HE       LYS  93   4.110   8.991  -5.256
  755   1HZ   LYS  93          1HZ       LYS  93   2.493   7.267  -6.466
  756   2HZ   LYS  93          2HZ       LYS  93   2.430   8.854  -6.666
  757   3HZ   LYS  93          3HZ       LYS  93   1.439   8.138  -5.633
  758    H    ASP  94           H        ASP  94   2.483   4.285  -7.098
  759    HA   ASP  94           HA       ASP  94   0.957   6.597  -7.605
  760   1HB   ASP  94          2HB       ASP  94   2.616   5.987  -9.210
  761   2HB   ASP  94          1HB       ASP  94   1.927   4.377  -9.411
  762    H    LEU  95           H        LEU  95  -0.003   3.291  -7.202
  763    HA   LEU  95           HA       LEU  95  -2.620   3.854  -8.430
  764   1HB   LEU  95          2HB       LEU  95  -1.164   1.421  -7.516
  765   2HB   LEU  95          1HB       LEU  95  -2.924   1.395  -7.382
  766    HG   LEU  95           HG       LEU  95  -2.005   0.554  -9.597
  767   1HD1  LEU  95          1HD1      LEU  95  -4.102   1.064 -10.236
  768   2HD1  LEU  95          2HD1      LEU  95  -3.554   2.689 -10.651
  769   3HD1  LEU  95          3HD1      LEU  95  -4.177   2.353  -9.035
  770   1HD2  LEU  95          1HD2      LEU  95  -0.756   1.899 -10.953
  771   2HD2  LEU  95          2HD2      LEU  95  -0.399   2.765  -9.460
  772   3HD2  LEU  95          3HD2      LEU  95  -1.677   3.342 -10.529
  773    H    LEU  96           H        LEU  96  -1.186   3.048  -5.256
  774    HA   LEU  96           HA       LEU  96  -3.251   2.851  -3.537
  775   1HB   LEU  96          2HB       LEU  96  -0.806   4.623  -3.279
  776   2HB   LEU  96          1HB       LEU  96  -1.897   4.294  -1.945
  777    HG   LEU  96           HG       LEU  96   0.033   2.453  -3.317
  778   1HD1  LEU  96          1HD1      LEU  96   0.922   3.009  -1.300
  779   2HD1  LEU  96          2HD1      LEU  96  -0.111   1.692  -0.741
  780   3HD1  LEU  96          3HD1      LEU  96  -0.651   3.364  -0.583
  781   1HD2  LEU  96          1HD2      LEU  96  -1.237   0.544  -2.161
  782   2HD2  LEU  96          2HD2      LEU  96  -1.954   1.176  -3.643
  783   3HD2  LEU  96          3HD2      LEU  96  -2.606   1.652  -2.078
  784    H    GLN  97           H        GLN  97  -1.886   6.079  -4.136
  785    HA   GLN  97           HA       GLN  97  -4.089   7.535  -3.125
  786   1HB   GLN  97          2HB       GLN  97  -3.203   9.437  -4.188
  787   2HB   GLN  97          1HB       GLN  97  -1.817   8.490  -3.677
  788   1HG   GLN  97          2HG       GLN  97  -3.014   8.381  -6.464
  789   2HG   GLN  97          1HG       GLN  97  -1.669   9.428  -6.028
  790   1HE2  GLN  97          1HE2      GLN  97  -2.662   6.040  -6.173
  791   2HE2  GLN  97          2HE2      GLN  97  -1.115   5.394  -6.109
  792    H    GLN  98           H        GLN  98  -4.235   5.587  -5.743
  793    HA   GLN  98           HA       GLN  98  -5.993   7.297  -7.301
  794   1HB   GLN  98          2HB       GLN  98  -4.201   5.238  -7.989
  795   2HB   GLN  98          1HB       GLN  98  -5.811   4.560  -8.236
  796   1HG   GLN  98          2HG       GLN  98  -5.612   7.311  -9.199
  797   2HG   GLN  98          1HG       GLN  98  -4.466   6.236 -10.002
  798   1HE2  GLN  98          1HE2      GLN  98  -5.468   5.716 -11.968
  799   2HE2  GLN  98          2HE2      GLN  98  -7.051   5.122 -12.110
  800    H    LEU  99           H        LEU  99  -5.937   4.369  -5.333
  801    HA   LEU  99           HA       LEU  99  -8.806   3.925  -5.707
  802   1HB   LEU  99          2HB       LEU  99  -7.385   2.657  -3.426
  803   2HB   LEU  99          1HB       LEU  99  -8.489   1.935  -4.585
  804    HG   LEU  99           HG       LEU  99  -6.298   2.642  -6.141
  805   1HD1  LEU  99          1HD1      LEU  99  -5.524   2.524  -3.400
  806   2HD1  LEU  99          2HD1      LEU  99  -4.498   2.729  -4.824
  807   3HD1  LEU  99          3HD1      LEU  99  -4.850   1.112  -4.220
  808   1HD2  LEU  99          1HD2      LEU  99  -7.751   0.358  -5.454
  809   2HD2  LEU  99          2HD2      LEU  99  -6.080  -0.038  -5.039
  810   3HD2  LEU  99          3HD2      LEU  99  -6.488   0.459  -6.682
  811    H    LEU 100           H        LEU 100  -6.660   5.451  -3.434
  812    HA   LEU 100           HA       LEU 100  -8.041   5.638  -1.127
  813   1HB   LEU 100          2HB       LEU 100  -6.110   6.839  -0.933
  814   2HB   LEU 100          1HB       LEU 100  -6.157   7.366  -2.607
  815    HG   LEU 100           HG       LEU 100  -8.206   8.854  -1.584
  816   1HD1  LEU 100          1HD1      LEU 100  -7.534   7.813   0.693
  817   2HD1  LEU 100          2HD1      LEU 100  -7.764   9.560   0.616
  818   3HD1  LEU 100          3HD1      LEU 100  -6.136   8.883   0.597
  819   1HD2  LEU 100          1HD2      LEU 100  -5.720   9.293  -2.663
  820   2HD2  LEU 100          2HD2      LEU 100  -5.556  10.024  -1.066
  821   3HD2  LEU 100          3HD2      LEU 100  -6.831  10.567  -2.157
  822    HA   PRO 101           HA       PRO 101 -10.733   9.073  -3.206
  823   1HB   PRO 101          2HB       PRO 101 -10.494   8.143  -6.012
  824   2HB   PRO 101          1HB       PRO 101 -10.533   9.798  -5.387
  825   1HG   PRO 101          2HG       PRO 101  -8.261   8.514  -6.279
  826   2HG   PRO 101          1HG       PRO 101  -8.247   9.852  -5.119
  827   1HD   PRO 101          2HD       PRO 101  -7.637   7.044  -4.661
  828   2HD   PRO 101          1HD       PRO 101  -7.408   8.425  -3.575
  829    H    LYS 102           H        LYS 102 -10.741   5.747  -3.422
  830    HA   LYS 102           HA       LYS 102 -13.367   5.473  -4.668
  831   1HB   LYS 102          2HB       LYS 102 -11.713   3.817  -5.219
  832   2HB   LYS 102          1HB       LYS 102 -11.356   3.548  -3.512
  833   1HG   LYS 102          2HG       LYS 102 -13.046   2.097  -3.275
  834   2HG   LYS 102          1HG       LYS 102 -14.184   3.167  -4.101
  835   1HD   LYS 102          2HD       LYS 102 -12.093   1.619  -5.630
  836   2HD   LYS 102          1HD       LYS 102 -13.650   0.897  -5.223
  837   1HE   LYS 102          2HE       LYS 102 -14.617   1.973  -6.945
  838   2HE   LYS 102          1HE       LYS 102 -14.128   3.522  -6.258
  839   1HZ   LYS 102          1HZ       LYS 102 -12.829   1.953  -8.281
  840   2HZ   LYS 102          2HZ       LYS 102 -11.882   2.777  -7.289
  841   3HZ   LYS 102          3HZ       LYS 102 -12.976   3.544  -8.170
  842    H    PHE 103           H        PHE 103 -11.894   4.881  -1.484
  843    HA   PHE 103           HA       PHE 103 -14.536   4.190  -0.449
  844   1HB   PHE 103          2HB       PHE 103 -12.814   4.027   1.721
  845   2HB   PHE 103          1HB       PHE 103 -13.254   2.691   0.661
  846    HD1  PHE 103           HD1      PHE 103 -11.895   2.341  -1.460
  847    HD2  PHE 103           HD2      PHE 103 -10.572   4.801   1.800
  848    HE1  PHE 103           HE1      PHE 103  -9.593   2.248  -2.335
  849    HE2  PHE 103           HE2      PHE 103  -8.249   4.699   0.933
  850    HZ   PHE 103           HZ       PHE 103  -7.760   3.426  -1.141
  851    H    LYS 104           H        LYS 104 -12.816   6.978  -0.865
  852    HA   LYS 104           HA       LYS 104 -14.584   8.383   0.904
  853   1HB   LYS 104          2HB       LYS 104 -12.556   9.562   2.038
  854   2HB   LYS 104          1HB       LYS 104 -13.111   8.021   2.667
  855   1HG   LYS 104          2HG       LYS 104 -10.832   7.614   2.522
  856   2HG   LYS 104          1HG       LYS 104 -11.377   7.009   0.966
  857   1HD   LYS 104          2HD       LYS 104  -9.307   8.620   1.096
  858   2HD   LYS 104          1HD       LYS 104 -10.470   8.809  -0.204
  859   1HE   LYS 104          2HE       LYS 104 -11.505  10.677   0.870
  860   2HE   LYS 104          1HE       LYS 104 -10.670  10.354   2.388
  861   1HZ   LYS 104          1HZ       LYS 104  -9.777  12.112   0.770
  862   2HZ   LYS 104          2HZ       LYS 104  -9.107  10.867   0.021
  863   3HZ   LYS 104          3HZ       LYS 104  -8.747  11.168   1.550
  864    H    ARG 105           H        ARG 105 -15.097  10.212  -0.202
  865    HA   ARG 105           HA       ARG 105 -12.979  11.572  -1.700
  866   1HB   ARG 105          2HB       ARG 105 -15.014  11.742  -3.511
  867   2HB   ARG 105          1HB       ARG 105 -13.696  10.578  -3.619
  868   1HG   ARG 105          2HG       ARG 105 -15.139   9.008  -2.215
  869   2HG   ARG 105          1HG       ARG 105 -16.469  10.133  -2.489
  870   1HD   ARG 105          2HD       ARG 105 -15.034   9.467  -4.951
  871   2HD   ARG 105          1HD       ARG 105 -15.746   8.053  -4.176
  872    HE   ARG 105           HE       ARG 105 -17.751   9.913  -4.116
  873   1HH1  ARG 105          1HH2      ARG 105 -15.647   8.574  -6.510
  874   2HH1  ARG 105          2HH2      ARG 105 -16.797   8.736  -7.794
  875   1HH2  ARG 105          1HH1      ARG 105 -19.254  10.127  -5.785
  876   2HH2  ARG 105          2HH1      ARG 105 -18.835   9.614  -7.385
  877    H    LYS 106           H        LYS 106 -16.534  11.851  -1.782
  878    HA   LYS 106           HA       LYS 106 -16.516  14.645  -1.527
  879   1HB   LYS 106          2HB       LYS 106 -18.901  14.422  -1.003
  880   2HB   LYS 106          1HB       LYS 106 -18.466  13.324  -2.313
  881   1HG   LYS 106          2HG       LYS 106 -18.146  11.523  -0.552
  882   2HG   LYS 106          1HG       LYS 106 -18.880  12.634   0.605
  883   1HD   LYS 106          2HD       LYS 106 -20.168  11.634  -1.953
  884   2HD   LYS 106          1HD       LYS 106 -20.580  11.115  -0.318
  885   1HE   LYS 106          2HE       LYS 106 -21.152  13.493   0.233
  886   2HE   LYS 106          1HE       LYS 106 -20.885  13.906  -1.461
  887   1HZ   LYS 106          1HZ       LYS 106 -23.072  13.431  -1.474
  888   2HZ   LYS 106          2HZ       LYS 106 -23.006  12.353  -0.294
  889   3HZ   LYS 106          3HZ       LYS 106 -22.529  11.954  -1.768
  890    H    ALA 107           H        ALA 107 -17.601  15.770   0.441
  891    HA   ALA 107           HA       ALA 107 -16.098  14.921   2.808
  892   1HB   ALA 107          1HB       ALA 107 -16.060  17.120   3.364
  893   2HB   ALA 107          2HB       ALA 107 -17.772  17.333   2.996
  894   3HB   ALA 107          3HB       ALA 107 -16.577  17.394   1.700
  895    H    ASN 108           H        ASN 108 -17.185  14.732   4.885
  896    HA   ASN 108           HA       ASN 108 -19.701  13.369   4.676
  897   1HB   ASN 108          2HB       ASN 108 -17.879  12.883   6.373
  898   2HB   ASN 108          1HB       ASN 108 -18.350  14.373   7.192
  899   1HD2  ASN 108          1HD2      ASN 108 -20.311  11.760   5.650
  900   2HD2  ASN 108          2HD2      ASN 108 -21.261  11.464   7.025
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -20.744 -12.300  -1.837
    2   2H    MET   1          2H        MET   1 -20.136 -12.753  -0.428
    3   3H    MET   1          3H        MET   1 -21.715 -12.822  -0.676
    4    HA   MET   1           HA       MET   1 -19.820 -14.390  -2.232
    5   1HB   MET   1          2HB       MET   1 -21.117 -14.917   0.419
    6   2HB   MET   1          1HB       MET   1 -20.905 -16.262  -0.702
    7   1HG   MET   1          2HG       MET   1 -18.484 -15.666  -0.889
    8   2HG   MET   1          1HG       MET   1 -18.729 -14.428   0.343
    9   1HE   MET   1          1HE       MET   1 -20.929 -16.016   2.333
   10   2HE   MET   1          2HE       MET   1 -19.710 -14.754   2.497
   11   3HE   MET   1          3HE       MET   1 -19.616 -16.196   3.505
   12    H    ALA   2           H        ALA   2 -22.216 -12.823  -2.995
   13    HA   ALA   2           HA       ALA   2 -24.063 -15.046  -3.622
   14   1HB   ALA   2          1HB       ALA   2 -24.877 -12.248  -4.164
   15   2HB   ALA   2          2HB       ALA   2 -24.671 -12.667  -2.463
   16   3HB   ALA   2          3HB       ALA   2 -25.803 -13.576  -3.465
   17    H    THR   3           H        THR   3 -22.748 -12.043  -5.079
   18    HA   THR   3           HA       THR   3 -23.358 -13.015  -7.733
   19    HB   THR   3           HB       THR   3 -21.818 -10.608  -6.726
   20    HG1  THR   3           HG1      THR   3 -24.021 -10.482  -6.382
   21   1HG2  THR   3          1HG2      THR   3 -22.739 -10.448  -9.463
   22   2HG2  THR   3          2HG2      THR   3 -21.661 -11.828  -9.258
   23   3HG2  THR   3          3HG2      THR   3 -21.113 -10.209  -8.824
   24    H    SER   4           H        SER   4 -20.225 -11.611  -6.954
   25    HA   SER   4           HA       SER   4 -18.921 -14.195  -7.440
   26   1HB   SER   4          2HB       SER   4 -18.043 -11.777  -9.002
   27   2HB   SER   4          1HB       SER   4 -17.687 -13.475  -9.306
   28    HG   SER   4           HG       SER   4 -19.377 -13.457 -10.541
   29    H    SER   5           H        SER   5 -16.406 -13.757  -7.264
   30    HA   SER   5           HA       SER   5 -16.046 -12.373  -4.738
   31   1HB   SER   5          2HB       SER   5 -13.568 -13.226  -5.885
   32   2HB   SER   5          1HB       SER   5 -14.427 -13.910  -4.508
   33    HG   SER   5           HG       SER   5 -14.572 -15.549  -5.854
   34    H    GLU   6           H        GLU   6 -13.445 -11.377  -5.016
   35    HA   GLU   6           HA       GLU   6 -13.829  -9.232  -7.014
   36   1HB   GLU   6          2HB       GLU   6 -12.235  -8.973  -4.464
   37   2HB   GLU   6          1HB       GLU   6 -12.813  -7.688  -5.522
   38   1HG   GLU   6          2HG       GLU   6 -14.326  -7.649  -3.706
   39   2HG   GLU   6          1HG       GLU   6 -15.179  -8.546  -4.963
   40    H    GLU   7           H        GLU   7 -11.646  -8.358  -7.816
   41    HA   GLU   7           HA       GLU   7  -9.626 -10.511  -7.776
   42   1HB   GLU   7          2HB       GLU   7  -9.894  -8.484  -9.989
   43   2HB   GLU   7          1HB       GLU   7  -9.167 -10.090 -10.042
   44   1HG   GLU   7          2HG       GLU   7 -11.643 -10.854  -9.449
   45   2HG   GLU   7          1HG       GLU   7 -12.051  -9.309 -10.196
   46    H    VAL   8           H        VAL   8  -7.289  -9.485  -7.953
   47    HA   VAL   8           HA       VAL   8  -7.368  -7.056  -6.363
   48    HB   VAL   8           HB       VAL   8  -5.132  -7.626  -5.749
   49   1HG1  VAL   8          1HG1      VAL   8  -7.218  -9.201  -5.141
   50   2HG1  VAL   8          2HG1      VAL   8  -5.585  -9.556  -4.577
   51   3HG1  VAL   8          3HG1      VAL   8  -6.230 -10.388  -5.993
   52   1HG2  VAL   8          1HG2      VAL   8  -3.746  -8.479  -7.308
   53   2HG2  VAL   8          2HG2      VAL   8  -5.112  -8.813  -8.373
   54   3HG2  VAL   8          3HG2      VAL   8  -4.602 -10.017  -7.189
   55    H    LEU   9           H        LEU   9  -5.983  -5.360  -6.839
   56    HA   LEU   9           HA       LEU   9  -5.812  -4.857  -9.736
   57   1HB   LEU   9          2HB       LEU   9  -7.033  -3.208  -8.471
   58   2HB   LEU   9          1HB       LEU   9  -5.671  -2.982  -7.372
   59    HG   LEU   9           HG       LEU   9  -4.289  -2.259  -9.347
   60   1HD1  LEU   9          1HD1      LEU   9  -5.756  -3.405 -11.038
   61   2HD1  LEU   9          2HD1      LEU   9  -5.406  -1.721 -11.431
   62   3HD1  LEU   9          3HD1      LEU   9  -6.974  -2.162 -10.753
   63   1HD2  LEU   9          1HD2      LEU   9  -6.475  -0.847  -8.047
   64   2HD2  LEU   9          2HD2      LEU   9  -6.174  -0.202  -9.661
   65   3HD2  LEU   9          3HD2      LEU   9  -4.869  -0.258  -8.477
   66    H    LEU  10           H        LEU  10  -3.542  -4.507  -6.868
   67    HA   LEU  10           HA       LEU  10  -1.414  -5.074  -8.760
   68   1HB   LEU  10          2HB       LEU  10  -1.577  -2.761  -9.275
   69   2HB   LEU  10          1HB       LEU  10  -1.768  -2.318  -7.580
   70    HG   LEU  10           HG       LEU  10   0.680  -3.834  -8.029
   71   1HD1  LEU  10          1HD1      LEU  10  -0.007  -1.682  -9.913
   72   2HD1  LEU  10          2HD1      LEU  10   1.255  -2.909 -10.019
   73   3HD1  LEU  10          3HD1      LEU  10   1.532  -1.437  -9.088
   74   1HD2  LEU  10          1HD2      LEU  10   1.396  -1.362  -7.117
   75   2HD2  LEU  10          2HD2      LEU  10   0.815  -2.659  -6.074
   76   3HD2  LEU  10          3HD2      LEU  10  -0.299  -1.412  -6.634
   77    H    ILE  11           H        ILE  11   0.436  -5.796  -7.706
   78    HA   ILE  11           HA       ILE  11   0.506  -5.450  -4.787
   79    HB   ILE  11           HB       ILE  11  -0.496  -7.562  -4.853
   80   1HG1  ILE  11          2HG1      ILE  11   1.920  -7.431  -3.807
   81   2HG1  ILE  11          1HG1      ILE  11   1.134  -8.989  -3.968
   82   1HG2  ILE  11          1HG2      ILE  11   0.224  -9.313  -6.526
   83   2HG2  ILE  11          2HG2      ILE  11   1.207  -8.072  -7.305
   84   3HG2  ILE  11          3HG2      ILE  11  -0.547  -7.895  -7.240
   85   1HD1  ILE  11          1HD1      ILE  11   2.626  -8.224  -6.369
   86   2HD1  ILE  11          2HD1      ILE  11   2.668  -9.731  -5.457
   87   3HD1  ILE  11          3HD1      ILE  11   3.644  -8.359  -4.937
   88    H    VAL  12           H        VAL  12   2.590  -5.252  -4.011
   89    HA   VAL  12           HA       VAL  12   4.714  -5.567  -6.036
   90    HB   VAL  12           HB       VAL  12   5.962  -4.044  -4.264
   91   1HG1  VAL  12          1HG1      VAL  12   5.608  -2.268  -5.722
   92   2HG1  VAL  12          2HG1      VAL  12   3.891  -2.627  -5.906
   93   3HG1  VAL  12          3HG1      VAL  12   5.093  -3.625  -6.724
   94   1HG2  VAL  12          1HG2      VAL  12   4.644  -2.742  -2.898
   95   2HG2  VAL  12          2HG2      VAL  12   3.679  -4.217  -2.895
   96   3HG2  VAL  12          3HG2      VAL  12   3.234  -2.870  -3.945
   97    H    LYS  13           H        LYS  13   5.589  -7.498  -5.710
   98    HA   LYS  13           HA       LYS  13   5.578  -9.017  -3.369
   99   1HB   LYS  13          2HB       LYS  13   6.959 -10.485  -4.549
  100   2HB   LYS  13          1HB       LYS  13   6.184  -9.584  -5.845
  101   1HG   LYS  13          2HG       LYS  13   8.379  -8.013  -5.258
  102   2HG   LYS  13          1HG       LYS  13   9.007  -9.651  -5.072
  103   1HD   LYS  13          2HD       LYS  13   7.650  -8.461  -7.501
  104   2HD   LYS  13          1HD       LYS  13   9.306  -9.057  -7.379
  105   1HE   LYS  13          2HE       LYS  13   8.563 -11.069  -8.063
  106   2HE   LYS  13          1HE       LYS  13   7.672 -11.196  -6.546
  107   1HZ   LYS  13          1HZ       LYS  13   6.664 -10.811  -9.103
  108   2HZ   LYS  13          2HZ       LYS  13   6.233  -9.568  -8.193
  109   3HZ   LYS  13          3HZ       LYS  13   5.855 -11.057  -7.743
  110    H    LYS  14           H        LYS  14   7.395  -6.335  -4.226
  111    HA   LYS  14           HA       LYS  14   9.233  -6.861  -1.973
  112   1HB   LYS  14          2HB       LYS  14   9.725  -5.998  -4.691
  113   2HB   LYS  14          1HB       LYS  14  10.322  -4.811  -3.532
  114   1HG   LYS  14          2HG       LYS  14  11.964  -6.670  -4.131
  115   2HG   LYS  14          1HG       LYS  14  11.664  -6.452  -2.406
  116   1HD   LYS  14          2HD       LYS  14  10.337  -8.376  -2.259
  117   2HD   LYS  14          1HD       LYS  14   9.990  -8.386  -3.989
  118   1HE   LYS  14          2HE       LYS  14  12.754  -8.593  -3.901
  119   2HE   LYS  14          1HE       LYS  14  12.234  -9.581  -2.537
  120   1HZ   LYS  14          1HZ       LYS  14  11.702  -9.946  -5.338
  121   2HZ   LYS  14          2HZ       LYS  14  10.566 -10.410  -4.311
  122   3HZ   LYS  14          3HZ       LYS  14  12.033 -11.042  -4.218
  123    H    VAL  15           H        VAL  15   8.965  -5.553  -0.281
  124    HA   VAL  15           HA       VAL  15   8.415  -2.777  -0.742
  125    HB   VAL  15           HB       VAL  15   6.227  -4.484   0.346
  126   1HG1  VAL  15          1HG1      VAL  15   5.326  -2.691   1.683
  127   2HG1  VAL  15          2HG1      VAL  15   6.597  -1.588   1.165
  128   3HG1  VAL  15          3HG1      VAL  15   6.982  -2.935   2.235
  129   1HG2  VAL  15          1HG2      VAL  15   5.097  -2.350  -0.736
  130   2HG2  VAL  15          2HG2      VAL  15   5.745  -3.645  -1.743
  131   3HG2  VAL  15          3HG2      VAL  15   6.684  -2.174  -1.487
  132    H    ARG  16           H        ARG  16   8.962  -1.511   1.031
  133    HA   ARG  16           HA       ARG  16  10.302  -3.030   3.192
  134   1HB   ARG  16          2HB       ARG  16  12.052  -2.051   1.912
  135   2HB   ARG  16          1HB       ARG  16  11.140  -0.577   1.636
  136   1HG   ARG  16          2HG       ARG  16  11.750   0.328   3.634
  137   2HG   ARG  16          1HG       ARG  16  11.613  -1.212   4.481
  138   1HD   ARG  16          2HD       ARG  16  13.934  -0.183   2.845
  139   2HD   ARG  16          1HD       ARG  16  13.932  -0.708   4.528
  140    HE   ARG  16           HE       ARG  16  13.155  -2.934   3.136
  141   1HH1  ARG  16          1HH2      ARG  16  15.767  -0.675   3.002
  142   2HH1  ARG  16          2HH2      ARG  16  16.905  -1.834   2.401
  143   1HH2  ARG  16          1HH1      ARG  16  14.632  -4.449   2.354
  144   2HH2  ARG  16          2HH1      ARG  16  16.264  -3.967   2.035
  145    H    GLN  17           H        GLN  17  10.053  -2.194   5.218
  146    HA   GLN  17           HA       GLN  17   8.563   0.277   5.544
  147   1HB   GLN  17          2HB       GLN  17   6.921  -0.965   7.078
  148   2HB   GLN  17          1HB       GLN  17   6.707  -1.217   5.357
  149   1HG   GLN  17          2HG       GLN  17   7.871  -3.322   5.434
  150   2HG   GLN  17          1HG       GLN  17   8.244  -3.078   7.129
  151   1HE2  GLN  17          1HE2      GLN  17   5.113  -1.901   6.343
  152   2HE2  GLN  17          2HE2      GLN  17   4.229  -3.232   6.910
  153    H    LYS  18           H        LYS  18   9.461   1.274   7.290
  154    HA   LYS  18           HA       LYS  18  11.772   0.679   8.417
  155   1HB   LYS  18          2HB       LYS  18   9.733   2.454   9.059
  156   2HB   LYS  18          1HB       LYS  18  10.019   1.576  10.563
  157   1HG   LYS  18          2HG       LYS  18  11.899   2.762  10.899
  158   2HG   LYS  18          1HG       LYS  18  12.558   2.142   9.385
  159   1HD   LYS  18          2HD       LYS  18  10.569   4.170   8.846
  160   2HD   LYS  18          1HD       LYS  18  11.798   4.800   9.943
  161   1HE   LYS  18          2HE       LYS  18  12.243   3.535   7.227
  162   2HE   LYS  18          1HE       LYS  18  12.578   5.202   7.698
  163   1HZ   LYS  18          1HZ       LYS  18  14.052   2.817   8.321
  164   2HZ   LYS  18          2HZ       LYS  18  14.022   3.961   9.440
  165   3HZ   LYS  18          3HZ       LYS  18  14.594   4.285   7.981
  166    H    LYS  19           H        LYS  19   8.844  -1.092   9.208
  167    HA   LYS  19           HA       LYS  19  10.025  -2.276  11.552
  168   1HB   LYS  19          2HB       LYS  19   8.044  -3.664  11.614
  169   2HB   LYS  19          1HB       LYS  19   7.540  -2.028  11.213
  170   1HG   LYS  19          2HG       LYS  19   7.484  -2.694   8.776
  171   2HG   LYS  19          1HG       LYS  19   7.853  -4.352   9.256
  172   1HD   LYS  19          2HD       LYS  19   5.393  -3.839   8.908
  173   2HD   LYS  19          1HD       LYS  19   5.805  -4.555  10.466
  174   1HE   LYS  19          2HE       LYS  19   5.723  -2.397  11.558
  175   2HE   LYS  19          1HE       LYS  19   5.533  -1.571  10.011
  176   1HZ   LYS  19          1HZ       LYS  19   3.607  -3.592  10.672
  177   2HZ   LYS  19          2HZ       LYS  19   3.402  -2.216   9.881
  178   3HZ   LYS  19          3HZ       LYS  19   3.502  -2.213  11.478
  179    H    GLN  20           H        GLN  20   9.238  -3.474   8.301
  180    HA   GLN  20           HA       GLN  20  11.501  -5.292   8.355
  181   1HB   GLN  20          2HB       GLN  20   9.127  -6.225   9.275
  182   2HB   GLN  20          1HB       GLN  20   8.936  -6.503   7.543
  183   1HG   GLN  20          2HG       GLN  20  11.565  -7.292   8.158
  184   2HG   GLN  20          1HG       GLN  20  10.545  -7.965   9.432
  185   1HE2  GLN  20          1HE2      GLN  20   8.523  -9.174   8.607
  186   2HE2  GLN  20          2HE2      GLN  20   8.672 -10.046   7.159
  187    H    ASP  21           H        ASP  21  11.640  -6.427   6.144
  188    HA   ASP  21           HA       ASP  21  10.558  -4.588   4.092
  189   1HB   ASP  21          2HB       ASP  21  12.709  -6.690   3.665
  190   2HB   ASP  21          1HB       ASP  21  12.356  -5.282   2.654
  191    H    GLY  22           H        GLY  22   8.978  -5.511   2.897
  192   1HA   GLY  22          2HA       GLY  22   8.714  -8.379   2.702
  193   2HA   GLY  22          1HA       GLY  22   7.542  -7.640   3.763
  194    H    ALA  23           H        ALA  23   6.839  -9.004   1.484
  195    HA   ALA  23           HA       ALA  23   6.340  -7.222  -0.664
  196   1HB   ALA  23          1HB       ALA  23   4.642  -9.536  -0.701
  197   2HB   ALA  23          2HB       ALA  23   6.256 -10.000  -0.163
  198   3HB   ALA  23          3HB       ALA  23   6.041  -9.185  -1.703
  199    H    LEU  24           H        LEU  24   4.873  -5.959  -0.915
  200    HA   LEU  24           HA       LEU  24   2.461  -5.908   0.805
  201   1HB   LEU  24          2HB       LEU  24   4.261  -3.949  -0.272
  202   2HB   LEU  24          1HB       LEU  24   2.636  -3.567  -0.810
  203    HG   LEU  24           HG       LEU  24   3.693  -3.827   1.995
  204   1HD1  LEU  24          1HD1      LEU  24   2.781  -1.710   0.162
  205   2HD1  LEU  24          2HD1      LEU  24   3.824  -1.592   1.575
  206   3HD1  LEU  24          3HD1      LEU  24   2.071  -1.601   1.770
  207   1HD2  LEU  24          1HD2      LEU  24   0.899  -4.144   0.959
  208   2HD2  LEU  24          2HD2      LEU  24   1.142  -3.263   2.469
  209   3HD2  LEU  24          3HD2      LEU  24   1.682  -4.936   2.328
  210    H    TYR  25           H        TYR  25   0.431  -6.013  -0.036
  211    HA   TYR  25           HA       TYR  25   0.151  -6.506  -2.948
  212   1HB   TYR  25          2HB       TYR  25  -0.925  -7.779  -0.479
  213   2HB   TYR  25          1HB       TYR  25  -2.049  -7.605  -1.819
  214    HD1  TYR  25           HD1      TYR  25   1.260  -9.002  -0.849
  215    HD2  TYR  25           HD2      TYR  25  -1.946  -9.009  -3.696
  216    HE1  TYR  25           HE1      TYR  25   2.213 -11.035  -1.897
  217    HE2  TYR  25           HE2      TYR  25  -0.999 -11.051  -4.761
  218    HH   TYR  25           HH       TYR  25   0.740 -12.453  -4.819
  219    H    LEU  26           H        LEU  26  -1.495  -5.230  -4.004
  220    HA   LEU  26           HA       LEU  26  -3.087  -3.568  -2.158
  221   1HB   LEU  26          2HB       LEU  26  -1.514  -2.298  -3.689
  222   2HB   LEU  26          1HB       LEU  26  -2.418  -2.954  -5.053
  223    HG   LEU  26           HG       LEU  26  -3.949  -1.633  -2.853
  224   1HD1  LEU  26          1HD1      LEU  26  -1.965  -0.330  -4.600
  225   2HD1  LEU  26          2HD1      LEU  26  -2.711   0.254  -3.112
  226   3HD1  LEU  26          3HD1      LEU  26  -3.567   0.405  -4.646
  227   1HD2  LEU  26          1HD2      LEU  26  -4.504  -1.116  -5.707
  228   2HD2  LEU  26          2HD2      LEU  26  -5.604  -1.605  -4.418
  229   3HD2  LEU  26          3HD2      LEU  26  -4.615  -2.813  -5.238
  230    H    MET  27           H        MET  27  -5.249  -3.865  -2.319
  231    HA   MET  27           HA       MET  27  -6.211  -5.527  -4.563
  232   1HB   MET  27          2HB       MET  27  -6.258  -6.851  -2.528
  233   2HB   MET  27          1HB       MET  27  -7.046  -5.542  -1.648
  234   1HG   MET  27          2HG       MET  27  -9.091  -6.077  -2.460
  235   2HG   MET  27          1HG       MET  27  -8.473  -6.330  -4.090
  236   1HE   MET  27          1HE       MET  27  -8.006  -9.069  -0.545
  237   2HE   MET  27          2HE       MET  27  -7.452  -7.416  -0.797
  238   3HE   MET  27          3HE       MET  27  -6.488  -8.762  -1.400
  239    H    ALA  28           H        ALA  28  -8.313  -4.986  -5.319
  240    HA   ALA  28           HA       ALA  28  -8.932  -2.429  -5.805
  241   1HB   ALA  28          1HB       ALA  28 -10.272  -4.866  -6.055
  242   2HB   ALA  28          2HB       ALA  28 -10.795  -3.313  -6.710
  243   3HB   ALA  28          3HB       ALA  28 -11.384  -3.848  -5.137
  244    H    GLU  29           H        GLU  29 -10.116  -4.137  -2.830
  245    HA   GLU  29           HA       GLU  29 -10.871  -1.460  -1.875
  246   1HB   GLU  29          2HB       GLU  29 -12.718  -2.989  -1.949
  247   2HB   GLU  29          1HB       GLU  29 -11.784  -4.242  -1.135
  248   1HG   GLU  29          2HG       GLU  29 -12.272  -3.406   0.907
  249   2HG   GLU  29          1HG       GLU  29 -11.889  -1.758   0.418
  250    H    ARG  30           H        ARG  30  -8.238  -3.607  -1.410
  251    HA   ARG  30           HA       ARG  30  -7.725  -2.198   1.084
  252   1HB   ARG  30          2HB       ARG  30  -7.772  -3.979   2.557
  253   2HB   ARG  30          1HB       ARG  30  -9.176  -4.291   1.547
  254   1HG   ARG  30          2HG       ARG  30  -6.982  -5.517   0.251
  255   2HG   ARG  30          1HG       ARG  30  -6.840  -5.920   1.963
  256   1HD   ARG  30          2HD       ARG  30  -8.243  -7.600   0.933
  257   2HD   ARG  30          1HD       ARG  30  -9.279  -6.573   1.919
  258    HE   ARG  30           HE       ARG  30  -9.302  -5.410  -0.581
  259   1HH1  ARG  30          1HH2      ARG  30  -9.919  -8.536   0.762
  260   2HH1  ARG  30          2HH2      ARG  30 -11.133  -8.940  -0.404
  261   1HH2  ARG  30          1HH1      ARG  30 -10.898  -5.927  -2.100
  262   2HH2  ARG  30          2HH1      ARG  30 -11.685  -7.468  -2.021
  263    H    ILE  31           H        ILE  31  -5.694  -2.725   2.065
  264    HA   ILE  31           HA       ILE  31  -3.681  -3.471   0.018
  265    HB   ILE  31           HB       ILE  31  -3.715  -1.527   2.314
  266   1HG1  ILE  31          2HG1      ILE  31  -4.062  -0.956  -0.154
  267   2HG1  ILE  31          1HG1      ILE  31  -2.805  -0.041   0.679
  268   1HG2  ILE  31          1HG2      ILE  31  -1.776  -2.655   3.000
  269   2HG2  ILE  31          2HG2      ILE  31  -1.126  -1.446   1.893
  270   3HG2  ILE  31          3HG2      ILE  31  -1.340  -3.112   1.353
  271   1HD1  ILE  31          1HD1      ILE  31  -1.229  -0.824  -0.724
  272   2HD1  ILE  31          2HD1      ILE  31  -2.512  -1.582  -1.666
  273   3HD1  ILE  31          3HD1      ILE  31  -1.701  -2.490  -0.390
  274    H    ALA  32           H        ALA  32  -2.178  -5.107   0.552
  275    HA   ALA  32           HA       ALA  32  -2.582  -6.371   3.187
  276   1HB   ALA  32          1HB       ALA  32  -2.675  -7.574   0.452
  277   2HB   ALA  32          2HB       ALA  32  -3.737  -7.859   1.830
  278   3HB   ALA  32          3HB       ALA  32  -2.114  -8.548   1.810
  279    H    TRP  33           H        TRP  33  -0.839  -7.552   3.989
  280    HA   TRP  33           HA       TRP  33   1.734  -6.929   2.635
  281   1HB   TRP  33          2HB       TRP  33   1.354  -5.602   4.748
  282   2HB   TRP  33          1HB       TRP  33   1.427  -7.123   5.618
  283    HD1  TRP  33           HD1      TRP  33   3.525  -5.998   2.628
  284    HE1  TRP  33           HE1      TRP  33   5.982  -6.079   3.348
  285    HE3  TRP  33           HE3      TRP  33   3.092  -7.484   7.496
  286    HZ2  TRP  33           HZ2      TRP  33   7.577  -6.691   5.521
  287    HZ3  TRP  33           HZ3      TRP  33   5.125  -7.869   8.843
  288    HH2  TRP  33           HH2      TRP  33   7.379  -7.494   7.863
  289    H    ALA  34           H        ALA  34   3.182  -8.576   2.485
  290    HA   ALA  34           HA       ALA  34   2.746 -11.012   3.990
  291   1HB   ALA  34          1HB       ALA  34   1.255 -11.417   2.196
  292   2HB   ALA  34          2HB       ALA  34   2.697 -12.386   1.903
  293   3HB   ALA  34          3HB       ALA  34   2.445 -10.887   1.006
  294    HA   PRO  35           HA       PRO  35   7.023 -11.246   2.868
  295   1HB   PRO  35          2HB       PRO  35   7.528 -13.452   4.606
  296   2HB   PRO  35          1HB       PRO  35   7.741 -11.733   4.967
  297   1HG   PRO  35          2HG       PRO  35   5.712 -13.526   5.977
  298   2HG   PRO  35          1HG       PRO  35   5.974 -11.826   6.389
  299   1HD   PRO  35          2HD       PRO  35   3.872 -12.940   4.774
  300   2HD   PRO  35          1HD       PRO  35   4.151 -11.237   5.178
  301    H    GLU  36           H        GLU  36   8.320 -12.440   1.435
  302    HA   GLU  36           HA       GLU  36   7.097 -14.498  -0.079
  303   1HB   GLU  36          2HB       GLU  36   9.458 -14.778  -1.000
  304   2HB   GLU  36          1HB       GLU  36   8.766 -13.162  -1.141
  305   1HG   GLU  36          2HG       GLU  36  10.283 -12.260   0.285
  306   2HG   GLU  36          1HG       GLU  36  10.184 -13.627   1.395
  307    H    GLY  37           H        GLY  37   6.490 -16.143   1.463
  308   1HA   GLY  37          2HA       GLY  37   8.594 -18.082   1.896
  309   2HA   GLY  37          1HA       GLY  37   7.946 -17.393   3.387
  310    H    LYS  38           H        LYS  38   6.969 -19.390   4.027
  311    HA   LYS  38           HA       LYS  38   4.926 -20.515   2.245
  312   1HB   LYS  38          2HB       LYS  38   6.655 -21.644   4.103
  313   2HB   LYS  38          1HB       LYS  38   5.109 -21.617   4.953
  314   1HG   LYS  38          2HG       LYS  38   4.275 -23.266   3.660
  315   2HG   LYS  38          1HG       LYS  38   4.789 -22.451   2.182
  316   1HD   LYS  38          2HD       LYS  38   6.165 -24.287   2.042
  317   2HD   LYS  38          1HD       LYS  38   7.194 -23.271   3.053
  318   1HE   LYS  38          2HE       LYS  38   7.074 -25.434   4.109
  319   2HE   LYS  38          1HE       LYS  38   6.097 -24.326   5.072
  320   1HZ   LYS  38          1HZ       LYS  38   5.209 -26.621   4.173
  321   2HZ   LYS  38          2HZ       LYS  38   4.728 -25.681   2.971
  322   3HZ   LYS  38          3HZ       LYS  38   4.246 -25.376   4.466
  323    H    ASP  39           H        ASP  39   4.573 -17.860   3.258
  324    HA   ASP  39           HA       ASP  39   1.929 -18.083   4.300
  325   1HB   ASP  39          2HB       ASP  39   4.178 -17.089   6.073
  326   2HB   ASP  39          1HB       ASP  39   2.508 -16.570   6.306
  327    H    ARG  40           H        ARG  40   0.959 -16.356   3.029
  328    HA   ARG  40           HA       ARG  40   2.838 -14.204   2.374
  329   1HB   ARG  40          2HB       ARG  40   0.664 -13.923   0.688
  330   2HB   ARG  40          1HB       ARG  40   2.205 -14.660   0.263
  331   1HG   ARG  40          2HG       ARG  40   1.209 -16.843   1.241
  332   2HG   ARG  40          1HG       ARG  40  -0.347 -16.020   1.124
  333   1HD   ARG  40          2HD       ARG  40  -0.292 -16.978  -0.972
  334   2HD   ARG  40          1HD       ARG  40   0.566 -15.480  -1.334
  335    HE   ARG  40           HE       ARG  40   2.545 -17.190  -0.538
  336   1HH1  ARG  40          1HH2      ARG  40  -0.040 -17.250  -2.832
  337   2HH1  ARG  40          2HH2      ARG  40   0.802 -18.276  -3.944
  338   1HH2  ARG  40          1HH1      ARG  40   3.648 -18.527  -1.981
  339   2HH2  ARG  40          2HH1      ARG  40   2.886 -18.998  -3.464
  340    H    PHE  41           H        PHE  41  -0.582 -14.096   2.038
  341    HA   PHE  41           HA       PHE  41  -1.019 -11.571   2.859
  342   1HB   PHE  41          2HB       PHE  41  -2.738 -14.011   3.276
  343   2HB   PHE  41          1HB       PHE  41  -3.299 -12.379   3.665
  344    HD1  PHE  41           HD1      PHE  41  -3.763 -14.651   1.250
  345    HD2  PHE  41           HD2      PHE  41  -2.109 -10.702   1.644
  346    HE1  PHE  41           HE1      PHE  41  -4.184 -14.237  -1.158
  347    HE2  PHE  41           HE2      PHE  41  -2.531 -10.287  -0.776
  348    HZ   PHE  41           HZ       PHE  41  -3.568 -12.058  -2.168
  349    H    THR  42           H        THR  42   0.247 -10.845   4.463
  350    HA   THR  42           HA       THR  42  -0.082 -12.003   7.148
  351    HB   THR  42           HB       THR  42   2.196 -11.229   5.695
  352    HG1  THR  42           HG1      THR  42   2.846 -12.433   7.254
  353   1HG2  THR  42          1HG2      THR  42   1.515  -9.135   7.764
  354   2HG2  THR  42          2HG2      THR  42   1.931  -8.888   6.066
  355   3HG2  THR  42          3HG2      THR  42   3.158  -9.442   7.203
  356    H    ILE  43           H        ILE  43  -1.139  -9.502   5.156
  357    HA   ILE  43           HA       ILE  43  -2.341  -8.178   7.445
  358    HB   ILE  43           HB       ILE  43   0.060  -7.160   6.382
  359   1HG1  ILE  43          2HG1      ILE  43  -1.990  -6.331   8.390
  360   2HG1  ILE  43          1HG1      ILE  43  -0.321  -6.846   8.644
  361   1HG2  ILE  43          1HG2      ILE  43  -0.438  -5.046   5.450
  362   2HG2  ILE  43          2HG2      ILE  43  -2.114  -5.109   5.988
  363   3HG2  ILE  43          3HG2      ILE  43  -1.583  -6.109   4.647
  364   1HD1  ILE  43          1HD1      ILE  43   0.058  -4.631   7.109
  365   2HD1  ILE  43          2HD1      ILE  43   0.073  -4.611   8.878
  366   3HD1  ILE  43          3HD1      ILE  43  -1.395  -4.176   7.999
  367    H    SER  44           H        SER  44  -4.064  -6.750   6.831
  368    HA   SER  44           HA       SER  44  -4.642  -6.366   4.053
  369   1HB   SER  44          2HB       SER  44  -6.640  -8.055   5.551
  370   2HB   SER  44          1HB       SER  44  -6.536  -7.761   3.817
  371    HG   SER  44           HG       SER  44  -5.705  -9.843   4.668
  372    H    HIS  45           H        HIS  45  -5.090  -4.202   4.382
  373    HA   HIS  45           HA       HIS  45  -7.071  -3.568   6.492
  374   1HB   HIS  45          2HB       HIS  45  -5.904  -1.243   5.275
  375   2HB   HIS  45          1HB       HIS  45  -5.882  -1.718   6.970
  376    HD1  HIS  45           HD1      HIS  45  -3.593  -2.107   7.863
  377    HD2  HIS  45           HD2      HIS  45  -3.752  -2.757   3.758
  378    HE1  HIS  45           HE1      HIS  45  -1.217  -2.567   7.116
  379    H    MET  46           H        MET  46  -9.079  -3.396   5.615
  380    HA   MET  46           HA       MET  46  -9.539  -3.019   2.853
  381   1HB   MET  46          2HB       MET  46 -11.071  -3.560   5.204
  382   2HB   MET  46          1HB       MET  46 -11.811  -2.210   4.349
  383   1HG   MET  46          2HG       MET  46 -12.753  -3.784   3.018
  384   2HG   MET  46          1HG       MET  46 -11.152  -3.938   2.296
  385   1HE   MET  46          1HE       MET  46 -12.738  -6.596   1.912
  386   2HE   MET  46          2HE       MET  46 -11.319  -7.558   2.318
  387   3HE   MET  46          3HE       MET  46 -11.120  -6.009   1.502
  388    H    TYR  47           H        TYR  47  -8.926  -1.203   1.923
  389    HA   TYR  47           HA       TYR  47  -8.326   1.264   2.701
  390   1HB   TYR  47          2HB       TYR  47  -9.938   0.313   0.353
  391   2HB   TYR  47          1HB       TYR  47  -9.763   2.039   0.608
  392    HD1  TYR  47           HD1      TYR  47  -6.805   0.961   2.014
  393    HD2  TYR  47           HD2      TYR  47  -8.719   1.045  -1.837
  394    HE1  TYR  47           HE1      TYR  47  -4.611   0.911   0.899
  395    HE2  TYR  47           HE2      TYR  47  -6.558   0.990  -2.916
  396    HH   TYR  47           HH       TYR  47  -3.939   1.811  -1.900
  397    H    ALA  48           H        ALA  48 -11.774   0.204   2.413
  398    HA   ALA  48           HA       ALA  48 -12.794   2.735   3.301
  399   1HB   ALA  48          1HB       ALA  48 -14.893   1.378   3.718
  400   2HB   ALA  48          2HB       ALA  48 -13.987  -0.045   3.201
  401   3HB   ALA  48          3HB       ALA  48 -14.262   1.283   2.073
  402    H    ASP  49           H        ASP  49 -12.110  -0.331   4.878
  403    HA   ASP  49           HA       ASP  49 -12.945   0.444   7.500
  404   1HB   ASP  49          2HB       ASP  49 -11.043  -1.705   6.532
  405   2HB   ASP  49          1HB       ASP  49 -11.553  -1.527   8.211
  406    H    ILE  50           H        ILE  50 -10.442   1.529   5.607
  407    HA   ILE  50           HA       ILE  50  -8.969   2.348   8.035
  408    HB   ILE  50           HB       ILE  50  -6.882   2.187   6.781
  409   1HG1  ILE  50          2HG1      ILE  50  -8.701   1.299   4.534
  410   2HG1  ILE  50          1HG1      ILE  50  -7.692   2.745   4.562
  411   1HG2  ILE  50          1HG2      ILE  50  -6.710  -0.030   7.207
  412   2HG2  ILE  50          2HG2      ILE  50  -7.961  -0.431   6.032
  413   3HG2  ILE  50          3HG2      ILE  50  -8.411   0.058   7.665
  414   1HD1  ILE  50          1HD1      ILE  50  -6.046   1.519   3.632
  415   2HD1  ILE  50          2HD1      ILE  50  -6.969   0.030   3.839
  416   3HD1  ILE  50          3HD1      ILE  50  -5.947   0.624   5.149
  417    H    LYS  51           H        LYS  51  -8.677   4.709   8.107
  418    HA   LYS  51           HA       LYS  51  -8.878   5.995   5.484
  419   1HB   LYS  51          2HB       LYS  51 -11.198   5.935   6.282
  420   2HB   LYS  51          1HB       LYS  51 -10.699   6.741   7.770
  421   1HG   LYS  51          2HG       LYS  51 -11.585   8.315   5.980
  422   2HG   LYS  51          1HG       LYS  51  -9.969   8.691   6.586
  423   1HD   LYS  51          2HD       LYS  51  -8.904   7.838   4.662
  424   2HD   LYS  51          1HD       LYS  51 -10.350   6.970   4.141
  425   1HE   LYS  51          2HE       LYS  51 -10.661   8.774   2.782
  426   2HE   LYS  51          1HE       LYS  51 -11.291   9.535   4.243
  427   1HZ   LYS  51          1HZ       LYS  51  -8.575   9.770   4.314
  428   2HZ   LYS  51          2HZ       LYS  51  -9.637  10.944   4.080
  429   3HZ   LYS  51          3HZ       LYS  51  -8.997  10.183   2.826
  430    H    CYS  52           H        CYS  52  -7.002   6.941   5.553
  431    HA   CYS  52           HA       CYS  52  -6.607   9.360   6.769
  432   1HB   CYS  52          2HB       CYS  52  -5.851   7.069   8.396
  433   2HB   CYS  52          1HB       CYS  52  -4.560   8.243   8.181
  434    HG   CYS  52           HG       CYS  52  -7.238   9.508   8.987
  435    H    GLN  53           H        GLN  53  -5.324  10.138   5.213
  436    HA   GLN  53           HA       GLN  53  -3.063   8.401   4.382
  437   1HB   GLN  53          2HB       GLN  53  -5.109   9.730   2.602
  438   2HB   GLN  53          1HB       GLN  53  -3.575   9.107   1.995
  439   1HG   GLN  53          2HG       GLN  53  -4.662   7.132   1.779
  440   2HG   GLN  53          1HG       GLN  53  -4.504   7.009   3.530
  441   1HE2  GLN  53          1HE2      GLN  53  -6.642   5.723   3.197
  442   2HE2  GLN  53          2HE2      GLN  53  -8.084   6.619   3.206
  443    H    LYS  54           H        LYS  54  -1.282   9.352   4.496
  444    HA   LYS  54           HA       LYS  54  -1.028  12.263   4.072
  445   1HB   LYS  54          2HB       LYS  54  -0.418  12.155   6.283
  446   2HB   LYS  54          1HB       LYS  54  -0.173  10.406   6.219
  447   1HG   LYS  54          2HG       LYS  54   2.047  10.600   5.653
  448   2HG   LYS  54          1HG       LYS  54   1.813  12.122   4.788
  449   1HD   LYS  54          2HD       LYS  54   1.717  13.377   6.811
  450   2HD   LYS  54          1HD       LYS  54   1.525  11.922   7.790
  451   1HE   LYS  54          2HE       LYS  54   3.975  12.202   6.086
  452   2HE   LYS  54          1HE       LYS  54   3.886  13.096   7.604
  453   1HZ   LYS  54          1HZ       LYS  54   4.302  10.360   7.211
  454   2HZ   LYS  54          2HZ       LYS  54   3.043  10.592   8.171
  455   3HZ   LYS  54          3HZ       LYS  54   4.465  11.217   8.554
  456    H    ILE  55           H        ILE  55   0.289  12.687   2.305
  457    HA   ILE  55           HA       ILE  55   2.030  10.468   1.409
  458    HB   ILE  55           HB       ILE  55   1.195  12.853  -0.244
  459   1HG1  ILE  55          2HG1      ILE  55  -0.851  11.748   0.579
  460   2HG1  ILE  55          1HG1      ILE  55  -0.624  11.429  -1.141
  461   1HG2  ILE  55          1HG2      ILE  55   2.087  10.033  -0.919
  462   2HG2  ILE  55          2HG2      ILE  55   3.073  11.488  -1.062
  463   3HG2  ILE  55          3HG2      ILE  55   1.660  11.276  -2.095
  464   1HD1  ILE  55          1HD1      ILE  55  -1.241   9.373   0.114
  465   2HD1  ILE  55          2HD1      ILE  55   0.215   9.557   1.093
  466   3HD1  ILE  55          3HD1      ILE  55   0.349   9.240  -0.637
  467    H    SER  56           H        SER  56   3.967  10.876   2.418
  468    HA   SER  56           HA       SER  56   5.042  13.601   2.108
  469   1HB   SER  56          2HB       SER  56   4.626  12.995   4.444
  470   2HB   SER  56          1HB       SER  56   5.638  11.566   4.257
  471    HG   SER  56           HG       SER  56   6.646  13.542   5.147
  472    HA   PRO  57           HA       PRO  57   8.366  10.683   0.831
  473   1HB   PRO  57          2HB       PRO  57   7.486   9.266  -1.513
  474   2HB   PRO  57          1HB       PRO  57   8.022   8.644   0.049
  475   1HG   PRO  57          2HG       PRO  57   5.343   8.740  -0.981
  476   2HG   PRO  57          1HG       PRO  57   5.898   8.005   0.514
  477   1HD   PRO  57          2HD       PRO  57   4.387  10.411   0.247
  478   2HD   PRO  57          1HD       PRO  57   5.078   9.724   1.727
  479    H    GLU  58           H        GLU  58   6.784  13.117  -0.336
  480    HA   GLU  58           HA       GLU  58   7.734  13.336  -3.029
  481   1HB   GLU  58          2HB       GLU  58   5.838  14.688  -2.112
  482   2HB   GLU  58          1HB       GLU  58   6.986  15.531  -1.071
  483   1HG   GLU  58          2HG       GLU  58   8.278  15.999  -3.294
  484   2HG   GLU  58          1HG       GLU  58   6.738  15.625  -4.067
  485    H    GLY  59           H        GLY  59   9.036  13.892   0.162
  486   1HA   GLY  59          2HA       GLY  59  11.626  14.521  -1.070
  487   2HA   GLY  59          1HA       GLY  59  11.003  15.591   0.189
  488    H    LYS  60           H        LYS  60  10.799  12.042  -0.074
  489    HA   LYS  60           HA       LYS  60  12.007  11.908   2.618
  490   1HB   LYS  60          2HB       LYS  60  10.144  10.072   1.085
  491   2HB   LYS  60          1HB       LYS  60  10.946   9.560   2.569
  492   1HG   LYS  60          2HG       LYS  60   9.506  12.177   2.570
  493   2HG   LYS  60          1HG       LYS  60   8.559  10.692   2.669
  494   1HD   LYS  60          2HD       LYS  60   9.175  10.340   4.811
  495   2HD   LYS  60          1HD       LYS  60  10.876  10.617   4.436
  496   1HE   LYS  60          2HE       LYS  60  10.786  12.825   5.026
  497   2HE   LYS  60          1HE       LYS  60   9.142  13.025   4.419
  498   1HZ   LYS  60          1HZ       LYS  60   9.449  11.339   6.704
  499   2HZ   LYS  60          2HZ       LYS  60   8.305  12.409   6.378
  500   3HZ   LYS  60          3HZ       LYS  60   9.712  12.897   6.963
  501    H    ALA  61           H        ALA  61  12.272   8.846   1.602
  502    HA   ALA  61           HA       ALA  61  14.968   9.328   0.528
  503   1HB   ALA  61          1HB       ALA  61  15.641   7.350   1.548
  504   2HB   ALA  61          2HB       ALA  61  14.026   6.645   1.477
  505   3HB   ALA  61          3HB       ALA  61  14.398   7.876   2.684
  506    H    LYS  62           H        LYS  62  11.813   8.046  -0.102
  507    HA   LYS  62           HA       LYS  62  12.302   7.842  -2.821
  508   1HB   LYS  62          2HB       LYS  62  11.667   5.240  -2.743
  509   2HB   LYS  62          1HB       LYS  62  13.321   5.822  -2.904
  510   1HG   LYS  62          2HG       LYS  62  12.504   5.781  -0.122
  511   2HG   LYS  62          1HG       LYS  62  12.292   4.202  -0.868
  512   1HD   LYS  62          2HD       LYS  62  14.829   5.845  -0.761
  513   2HD   LYS  62          1HD       LYS  62  14.529   4.284   0.002
  514   1HE   LYS  62          2HE       LYS  62  15.258   3.251  -1.858
  515   2HE   LYS  62          1HE       LYS  62  13.942   3.993  -2.768
  516   1HZ   LYS  62          1HZ       LYS  62  15.659   4.932  -3.811
  517   2HZ   LYS  62          2HZ       LYS  62  16.680   4.791  -2.587
  518   3HZ   LYS  62          3HZ       LYS  62  15.616   5.986  -2.606
  519    H    ILE  63           H        ILE  63  10.467   5.874  -0.722
  520    HA   ILE  63           HA       ILE  63   8.052   7.371  -1.214
  521    HB   ILE  63           HB       ILE  63   7.886   6.522  -3.270
  522   1HG1  ILE  63          2HG1      ILE  63   6.740   4.026  -2.097
  523   2HG1  ILE  63          1HG1      ILE  63   6.047   5.561  -1.581
  524   1HG2  ILE  63          1HG2      ILE  63   9.659   5.144  -3.732
  525   2HG2  ILE  63          2HG2      ILE  63   8.491   3.855  -3.444
  526   3HG2  ILE  63          3HG2      ILE  63   9.587   4.354  -2.152
  527   1HD1  ILE  63          1HD1      ILE  63   6.448   4.825  -4.489
  528   2HD1  ILE  63          2HD1      ILE  63   5.513   6.173  -3.841
  529   3HD1  ILE  63          3HD1      ILE  63   4.946   4.518  -3.617
  530    H    GLN  64           H        GLN  64   7.930   7.300   1.102
  531    HA   GLN  64           HA       GLN  64   6.961   4.696   2.120
  532   1HB   GLN  64          2HB       GLN  64   7.336   5.827   4.405
  533   2HB   GLN  64          1HB       GLN  64   8.772   5.302   3.535
  534   1HG   GLN  64          2HG       GLN  64   7.965   8.008   2.784
  535   2HG   GLN  64          1HG       GLN  64   8.296   7.868   4.509
  536   1HE2  GLN  64          1HE2      GLN  64   9.764   7.060   1.317
  537   2HE2  GLN  64          2HE2      GLN  64  11.367   7.210   1.853
  538    H    LEU  65           H        LEU  65   4.752   4.682   2.561
  539    HA   LEU  65           HA       LEU  65   3.514   7.351   2.644
  540   1HB   LEU  65          2HB       LEU  65   1.424   6.194   1.854
  541   2HB   LEU  65          1HB       LEU  65   2.754   6.246   0.702
  542    HG   LEU  65           HG       LEU  65   1.477   4.019   0.967
  543   1HD1  LEU  65          1HD1      LEU  65   3.305   3.544  -0.258
  544   2HD1  LEU  65          2HD1      LEU  65   3.978   2.902   1.243
  545   3HD1  LEU  65          3HD1      LEU  65   4.350   4.553   0.740
  546   1HD2  LEU  65          1HD2      LEU  65   2.063   2.592   2.785
  547   2HD2  LEU  65          2HD2      LEU  65   1.585   4.127   3.507
  548   3HD2  LEU  65          3HD2      LEU  65   3.293   3.716   3.357
  549    H    GLN  66           H        GLN  66   1.422   7.460   3.899
  550    HA   GLN  66           HA       GLN  66   1.522   5.688   6.265
  551   1HB   GLN  66          2HB       GLN  66   2.329   8.328   6.268
  552   2HB   GLN  66          1HB       GLN  66   0.650   8.435   6.800
  553   1HG   GLN  66          2HG       GLN  66   1.054   6.829   8.577
  554   2HG   GLN  66          1HG       GLN  66   2.695   6.544   7.996
  555   1HE2  GLN  66          1HE2      GLN  66   4.050   7.499   9.539
  556   2HE2  GLN  66          2HE2      GLN  66   3.871   9.079  10.133
  557    H    LEU  67           H        LEU  67  -0.396   4.864   6.760
  558    HA   LEU  67           HA       LEU  67  -2.848   6.223   5.850
  559   1HB   LEU  67          2HB       LEU  67  -2.067   4.228   4.374
  560   2HB   LEU  67          1HB       LEU  67  -2.579   3.224   5.730
  561    HG   LEU  67           HG       LEU  67  -4.489   5.318   4.796
  562   1HD1  LEU  67          1HD1      LEU  67  -3.484   3.102   3.113
  563   2HD1  LEU  67          2HD1      LEU  67  -4.326   4.579   2.644
  564   3HD1  LEU  67          3HD1      LEU  67  -5.244   3.193   3.245
  565   1HD2  LEU  67          1HD2      LEU  67  -5.520   4.100   6.431
  566   2HD2  LEU  67          2HD2      LEU  67  -4.490   2.692   6.173
  567   3HD2  LEU  67          3HD2      LEU  67  -5.859   2.993   5.101
  568    H    VAL  68           H        VAL  68  -4.501   6.173   7.407
  569    HA   VAL  68           HA       VAL  68  -3.857   4.515   9.753
  570    HB   VAL  68           HB       VAL  68  -5.583   6.935  10.075
  571   1HG1  VAL  68          1HG1      VAL  68  -4.358   6.779  12.326
  572   2HG1  VAL  68          2HG1      VAL  68  -3.766   5.219  11.761
  573   3HG1  VAL  68          3HG1      VAL  68  -5.501   5.487  11.965
  574   1HG2  VAL  68          1HG2      VAL  68  -2.748   7.183  10.779
  575   2HG2  VAL  68          2HG2      VAL  68  -3.824   8.381  10.061
  576   3HG2  VAL  68          3HG2      VAL  68  -3.047   7.168   9.045
  577    H    LEU  69           H        LEU  69  -5.622   3.790  10.962
  578    HA   LEU  69           HA       LEU  69  -7.666   2.770   9.181
  579   1HB   LEU  69          2HB       LEU  69  -6.924   2.158  12.050
  580   2HB   LEU  69          1HB       LEU  69  -8.023   1.202  11.076
  581    HG   LEU  69           HG       LEU  69  -5.211   0.903  11.285
  582   1HD1  LEU  69          1HD1      LEU  69  -7.378  -0.287   9.655
  583   2HD1  LEU  69          2HD1      LEU  69  -6.279  -1.050  10.806
  584   3HD1  LEU  69          3HD1      LEU  69  -5.710  -0.628   9.185
  585   1HD2  LEU  69          1HD2      LEU  69  -4.609   2.506   9.669
  586   2HD2  LEU  69          2HD2      LEU  69  -6.000   2.127   8.648
  587   3HD2  LEU  69          3HD2      LEU  69  -4.657   0.993   8.767
  588    H    HIS  70           H        HIS  70  -9.938   3.022   9.613
  589    HA   HIS  70           HA       HIS  70 -10.885   5.460  10.472
  590   1HB   HIS  70          2HB       HIS  70 -12.064   2.697  10.424
  591   2HB   HIS  70          1HB       HIS  70 -12.956   3.975  11.249
  592    HD1  HIS  70           HD1      HIS  70 -14.137   5.700   9.810
  593    HD2  HIS  70           HD2      HIS  70 -11.604   3.241   7.593
  594    HE1  HIS  70           HE1      HIS  70 -14.585   6.221   7.373
  595    H    ALA  71           H        ALA  71  -9.882   2.670  12.232
  596    HA   ALA  71           HA       ALA  71 -10.675   3.672  14.836
  597   1HB   ALA  71          1HB       ALA  71  -8.664   1.478  14.336
  598   2HB   ALA  71          2HB       ALA  71 -10.388   1.186  14.110
  599   3HB   ALA  71          3HB       ALA  71  -9.776   1.663  15.693
  600    H    GLY  72           H        GLY  72  -7.959   2.758  15.908
  601   1HA   GLY  72          2HA       GLY  72  -6.520   5.239  15.204
  602   2HA   GLY  72          1HA       GLY  72  -6.528   4.527  16.817
  603    H    ASP  73           H        ASP  73  -5.996   3.236  13.586
  604    HA   ASP  73           HA       ASP  73  -3.392   2.203  14.569
  605   1HB   ASP  73          2HB       ASP  73  -5.615   0.811  13.120
  606   2HB   ASP  73          1HB       ASP  73  -3.951   0.313  12.807
  607    H    THR  74           H        THR  74  -1.693   2.548  13.231
  608    HA   THR  74           HA       THR  74  -2.320   3.935  10.710
  609    HB   THR  74           HB       THR  74   0.443   4.031  11.706
  610    HG1  THR  74           HG1      THR  74  -0.592   4.091  13.682
  611   1HG2  THR  74          1HG2      THR  74  -1.481   5.635  10.239
  612   2HG2  THR  74          2HG2      THR  74   0.278   5.753  10.266
  613   3HG2  THR  74          3HG2      THR  74  -0.681   6.588  11.489
  614    H    THR  75           H        THR  75  -1.130   3.406   8.845
  615    HA   THR  75           HA       THR  75   0.255   0.801   8.958
  616    HB   THR  75           HB       THR  75  -1.319   1.865   6.599
  617    HG1  THR  75           HG1      THR  75  -3.011   1.362   7.712
  618   1HG2  THR  75          1HG2      THR  75  -1.219  -0.481   5.872
  619   2HG2  THR  75          2HG2      THR  75  -0.352  -0.908   7.348
  620   3HG2  THR  75          3HG2      THR  75   0.405   0.148   6.155
  621    H    ASN  76           H        ASN  76   2.426   1.382   8.657
  622    HA   ASN  76           HA       ASN  76   2.917   3.647   6.826
  623   1HB   ASN  76          2HB       ASN  76   4.720   2.441   8.940
  624   2HB   ASN  76          1HB       ASN  76   5.068   3.868   7.965
  625   1HD2  ASN  76          1HD2      ASN  76   5.196   5.088  10.069
  626   2HD2  ASN  76          2HD2      ASN  76   3.760   5.583  10.828
  627    H    PHE  77           H        PHE  77   4.002   3.206   4.956
  628    HA   PHE  77           HA       PHE  77   5.494   0.674   4.884
  629   1HB   PHE  77          2HB       PHE  77   3.005   1.174   3.517
  630   2HB   PHE  77          1HB       PHE  77   4.299   0.885   2.360
  631    HD1  PHE  77           HD1      PHE  77   6.065  -0.953   3.519
  632    HD2  PHE  77           HD2      PHE  77   1.806  -0.835   3.962
  633    HE1  PHE  77           HE1      PHE  77   6.069  -3.352   4.013
  634    HE2  PHE  77           HE2      PHE  77   1.802  -3.256   4.452
  635    HZ   PHE  77           HZ       PHE  77   3.963  -4.494   4.467
  636    H    HIS  78           H        HIS  78   6.898   0.513   3.112
  637    HA   HIS  78           HA       HIS  78   7.764   3.020   1.839
  638   1HB   HIS  78          2HB       HIS  78   9.033   2.820   3.977
  639   2HB   HIS  78          1HB       HIS  78   9.635   1.255   3.458
  640    HD1  HIS  78           HD1      HIS  78  11.530   1.199   1.800
  641    HD2  HIS  78           HD2      HIS  78  10.044   5.059   2.294
  642    HE1  HIS  78           HE1      HIS  78  13.037   2.746   0.490
  643    H    PHE  79           H        PHE  79   9.629   2.460   0.273
  644    HA   PHE  79           HA       PHE  79   9.304  -0.269  -0.782
  645   1HB   PHE  79          2HB       PHE  79   9.054   2.291  -2.353
  646   2HB   PHE  79          1HB       PHE  79   9.293   0.711  -3.067
  647    HD1  PHE  79           HD1      PHE  79   7.019   2.662  -0.865
  648    HD2  PHE  79           HD2      PHE  79   7.414  -0.771  -3.416
  649    HE1  PHE  79           HE1      PHE  79   4.565   2.312  -0.776
  650    HE2  PHE  79           HE2      PHE  79   4.981  -1.106  -3.333
  651    HZ   PHE  79           HZ       PHE  79   3.557   0.409  -2.021
  652    H    SER  80           H        SER  80  11.156  -0.935  -1.962
  653    HA   SER  80           HA       SER  80  13.302   0.777  -2.595
  654   1HB   SER  80          2HB       SER  80  13.348   1.001  -0.103
  655   2HB   SER  80          1HB       SER  80  13.816  -0.700  -0.021
  656    HG   SER  80           HG       SER  80  15.755   0.097  -0.267
  657    H    ASN  81           H        ASN  81  14.611  -0.241  -3.983
  658    HA   ASN  81           HA       ASN  81  15.220  -3.062  -3.597
  659   1HB   ASN  81          2HB       ASN  81  13.355  -2.065  -5.650
  660   2HB   ASN  81          1HB       ASN  81  14.635  -3.119  -6.262
  661   1HD2  ASN  81          1HD2      ASN  81  12.366  -2.980  -3.475
  662   2HD2  ASN  81          2HD2      ASN  81  12.095  -4.640  -3.431
  663    H    GLU  82           H        GLU  82  17.062  -3.711  -4.881
  664    HA   GLU  82           HA       GLU  82  19.089  -1.856  -5.101
  665   1HB   GLU  82          2HB       GLU  82  18.548  -4.465  -6.500
  666   2HB   GLU  82          1HB       GLU  82  19.956  -3.500  -6.944
  667   1HG   GLU  82          2HG       GLU  82  21.058  -4.280  -5.148
  668   2HG   GLU  82          1HG       GLU  82  19.824  -3.586  -4.096
  669    H    SER  83           H        SER  83  16.432  -2.482  -7.291
  670    HA   SER  83           HA       SER  83  17.273  -0.131  -8.818
  671   1HB   SER  83          2HB       SER  83  17.343  -2.903  -9.819
  672   2HB   SER  83          1HB       SER  83  16.601  -1.718 -10.889
  673    HG   SER  83           HG       SER  83  18.470  -0.672 -11.050
  674    H    THR  84           H        THR  84  14.716  -1.559  -7.237
  675    HA   THR  84           HA       THR  84  12.852  -0.446  -9.243
  676    HB   THR  84           HB       THR  84  11.390  -2.188  -8.902
  677    HG1  THR  84           HG1      THR  84  11.606  -3.369  -6.765
  678   1HG2  THR  84          1HG2      THR  84  13.971  -3.037  -9.170
  679   2HG2  THR  84          2HG2      THR  84  12.570  -4.108  -9.207
  680   3HG2  THR  84          3HG2      THR  84  13.481  -3.898  -7.711
  681    H    ALA  85           H        ALA  85  14.291   0.934  -7.152
  682    HA   ALA  85           HA       ALA  85  12.251   1.332  -5.096
  683   1HB   ALA  85          1HB       ALA  85  13.923   2.100  -3.763
  684   2HB   ALA  85          2HB       ALA  85  14.650   3.050  -5.058
  685   3HB   ALA  85          3HB       ALA  85  14.973   1.320  -4.946
  686    H    VAL  86           H        VAL  86  11.930   2.417  -8.025
  687    HA   VAL  86           HA       VAL  86  11.399   5.166  -7.076
  688    HB   VAL  86           HB       VAL  86  12.160   6.005  -9.293
  689   1HG1  VAL  86          1HG1      VAL  86  14.657   5.262  -8.854
  690   2HG1  VAL  86          2HG1      VAL  86  13.969   4.541  -7.399
  691   3HG1  VAL  86          3HG1      VAL  86  13.816   6.276  -7.681
  692   1HG2  VAL  86          1HG2      VAL  86  12.604   4.574 -10.980
  693   2HG2  VAL  86          2HG2      VAL  86  12.049   3.258  -9.946
  694   3HG2  VAL  86          3HG2      VAL  86  13.758   3.691  -9.979
  695    H    LYS  87           H        LYS  87  10.761   5.271 -10.285
  696    HA   LYS  87           HA       LYS  87   8.147   5.753 -10.295
  697   1HB   LYS  87          2HB       LYS  87   9.575   3.995 -12.307
  698   2HB   LYS  87          1HB       LYS  87   8.015   4.773 -12.581
  699   1HG   LYS  87          2HG       LYS  87   8.946   6.838 -12.856
  700   2HG   LYS  87          1HG       LYS  87  10.165   6.563 -11.612
  701   1HD   LYS  87          2HD       LYS  87  11.644   5.558 -13.084
  702   2HD   LYS  87          1HD       LYS  87  10.359   4.997 -14.155
  703   1HE   LYS  87          2HE       LYS  87  10.729   7.947 -13.860
  704   2HE   LYS  87          1HE       LYS  87  11.917   7.063 -14.817
  705   1HZ   LYS  87          1HZ       LYS  87  10.364   7.402 -16.372
  706   2HZ   LYS  87          2HZ       LYS  87   9.138   7.500 -15.348
  707   3HZ   LYS  87          3HZ       LYS  87   9.715   6.068 -15.769
  708    H    GLU  88           H        GLU  88   9.423   2.440 -10.442
  709    HA   GLU  88           HA       GLU  88   7.084   0.978 -10.564
  710   1HB   GLU  88          2HB       GLU  88   8.432  -0.426  -8.684
  711   2HB   GLU  88          1HB       GLU  88   8.864  -0.474 -10.384
  712   1HG   GLU  88          2HG       GLU  88  10.073   1.780  -8.936
  713   2HG   GLU  88          1HG       GLU  88  10.560   0.211  -8.357
  714    H    ARG  89           H        ARG  89   8.741   1.692  -7.548
  715    HA   ARG  89           HA       ARG  89   6.564   1.158  -5.835
  716   1HB   ARG  89          2HB       ARG  89   8.742   3.172  -5.258
  717   2HB   ARG  89          1HB       ARG  89   7.912   2.107  -4.128
  718   1HG   ARG  89          2HG       ARG  89   9.849   1.235  -6.298
  719   2HG   ARG  89          1HG       ARG  89  10.175   1.258  -4.572
  720   1HD   ARG  89          2HD       ARG  89   9.129  -0.714  -4.256
  721   2HD   ARG  89          1HD       ARG  89   7.719  -0.186  -5.171
  722    HE   ARG  89           HE       ARG  89   9.589  -0.692  -7.094
  723   1HH1  ARG  89          1HH2      ARG  89   8.285  -2.386  -4.381
  724   2HH1  ARG  89          2HH2      ARG  89   8.455  -3.946  -5.113
  725   1HH2  ARG  89          1HH1      ARG  89   9.811  -2.722  -8.057
  726   2HH2  ARG  89          2HH1      ARG  89   9.317  -4.137  -7.189
  727    H    ASP  90           H        ASP  90   8.021   4.199  -6.806
  728    HA   ASP  90           HA       ASP  90   6.329   6.090  -5.864
  729   1HB   ASP  90          2HB       ASP  90   7.801   5.822  -8.430
  730   2HB   ASP  90          1HB       ASP  90   6.537   7.052  -8.390
  731    H    ALA  91           H        ALA  91   5.644   3.891  -8.550
  732    HA   ALA  91           HA       ALA  91   3.120   5.021  -9.215
  733   1HB   ALA  91          1HB       ALA  91   2.839   3.117 -10.587
  734   2HB   ALA  91          2HB       ALA  91   3.853   2.114  -9.550
  735   3HB   ALA  91          3HB       ALA  91   4.586   3.356 -10.564
  736    H    VAL  92           H        VAL  92   4.033   2.106  -7.310
  737    HA   VAL  92           HA       VAL  92   1.574   1.276  -6.435
  738    HB   VAL  92           HB       VAL  92   3.802   1.692  -4.436
  739   1HG1  VAL  92          1HG1      VAL  92   1.909   0.793  -3.375
  740   2HG1  VAL  92          2HG1      VAL  92   2.841  -0.646  -3.791
  741   3HG1  VAL  92          3HG1      VAL  92   1.462  -0.171  -4.782
  742   1HG2  VAL  92          1HG2      VAL  92   4.638  -0.541  -5.167
  743   2HG2  VAL  92          2HG2      VAL  92   4.850   0.704  -6.401
  744   3HG2  VAL  92          3HG2      VAL  92   3.540  -0.469  -6.547
  745    H    LYS  93           H        LYS  93   3.485   3.881  -4.903
  746    HA   LYS  93           HA       LYS  93   1.571   4.658  -3.015
  747   1HB   LYS  93          2HB       LYS  93   3.696   5.677  -2.835
  748   2HB   LYS  93          1HB       LYS  93   3.708   6.156  -4.531
  749   1HG   LYS  93          2HG       LYS  93   2.436   8.021  -4.152
  750   2HG   LYS  93          1HG       LYS  93   1.494   7.246  -2.876
  751   1HD   LYS  93          2HD       LYS  93   2.757   8.335  -1.364
  752   2HD   LYS  93          1HD       LYS  93   4.142   7.386  -1.905
  753   1HE   LYS  93          2HE       LYS  93   3.262   9.865  -3.385
  754   2HE   LYS  93          1HE       LYS  93   4.362   9.956  -2.010
  755   1HZ   LYS  93          1HZ       LYS  93   5.007   8.022  -4.008
  756   2HZ   LYS  93          2HZ       LYS  93   5.975   8.999  -3.190
  757   3HZ   LYS  93          3HZ       LYS  93   5.172   9.549  -4.461
  758    H    ASP  94           H        ASP  94   2.133   6.003  -6.282
  759    HA   ASP  94           HA       ASP  94   0.090   7.752  -6.623
  760   1HB   ASP  94          2HB       ASP  94   1.760   6.855  -8.362
  761   2HB   ASP  94          1HB       ASP  94   0.578   5.580  -8.659
  762    H    LEU  95           H        LEU  95  -0.277   4.306  -7.395
  763    HA   LEU  95           HA       LEU  95  -2.990   4.180  -7.723
  764   1HB   LEU  95          2HB       LEU  95  -1.823   2.049  -5.999
  765   2HB   LEU  95          1HB       LEU  95  -2.839   1.903  -7.431
  766    HG   LEU  95           HG       LEU  95   0.114   2.565  -7.347
  767   1HD1  LEU  95          1HD1      LEU  95  -1.240   0.146  -7.347
  768   2HD1  LEU  95          2HD1      LEU  95   0.432   0.386  -7.857
  769   3HD1  LEU  95          3HD1      LEU  95  -0.866   0.398  -9.052
  770   1HD2  LEU  95          1HD2      LEU  95  -1.837   2.498  -9.677
  771   2HD2  LEU  95          2HD2      LEU  95  -0.084   2.584  -9.847
  772   3HD2  LEU  95          3HD2      LEU  95  -0.962   3.911  -9.089
  773    H    LEU  96           H        LEU  96  -1.285   3.820  -4.548
  774    HA   LEU  96           HA       LEU  96  -3.346   3.463  -2.854
  775   1HB   LEU  96          2HB       LEU  96  -1.179   5.554  -2.461
  776   2HB   LEU  96          1HB       LEU  96  -2.077   4.729  -1.194
  777    HG   LEU  96           HG       LEU  96   0.033   3.620  -3.036
  778   1HD1  LEU  96          1HD1      LEU  96  -0.381   4.059  -0.145
  779   2HD1  LEU  96          2HD1      LEU  96   1.115   4.028  -1.079
  780   3HD1  LEU  96          3HD1      LEU  96   0.362   2.517  -0.568
  781   1HD2  LEU  96          1HD2      LEU  96  -2.059   2.041  -1.506
  782   2HD2  LEU  96          2HD2      LEU  96  -0.623   1.346  -2.259
  783   3HD2  LEU  96          3HD2      LEU  96  -1.870   2.092  -3.259
  784    H    GLN  97           H        GLN  97  -2.248   6.797  -3.643
  785    HA   GLN  97           HA       GLN  97  -4.709   7.897  -2.637
  786   1HB   GLN  97          2HB       GLN  97  -3.974   9.990  -3.540
  787   2HB   GLN  97          1HB       GLN  97  -2.598   9.212  -2.770
  788   1HG   GLN  97          2HG       GLN  97  -2.813   8.427  -5.550
  789   2HG   GLN  97          1HG       GLN  97  -2.754  10.186  -5.406
  790   1HE2  GLN  97          1HE2      GLN  97  -0.988   7.219  -4.806
  791   2HE2  GLN  97          2HE2      GLN  97   0.496   7.941  -4.438
  792    H    GLN  98           H        GLN  98  -4.135   6.160  -5.350
  793    HA   GLN  98           HA       GLN  98  -5.925   7.602  -7.122
  794   1HB   GLN  98          2HB       GLN  98  -3.803   6.136  -7.706
  795   2HB   GLN  98          1HB       GLN  98  -4.956   4.804  -7.601
  796   1HG   GLN  98          2HG       GLN  98  -6.197   6.899  -9.088
  797   2HG   GLN  98          1HG       GLN  98  -4.585   6.648  -9.758
  798   1HE2  GLN  98          1HE2      GLN  98  -4.023   4.282 -10.268
  799   2HE2  GLN  98          2HE2      GLN  98  -5.279   3.267 -10.789
  800    H    LEU  99           H        LEU  99  -5.917   4.842  -4.921
  801    HA   LEU  99           HA       LEU  99  -8.636   4.087  -5.735
  802   1HB   LEU  99          2HB       LEU  99  -7.421   2.891  -3.307
  803   2HB   LEU  99          1HB       LEU  99  -8.276   2.099  -4.617
  804    HG   LEU  99           HG       LEU  99  -5.897   3.068  -5.772
  805   1HD1  LEU  99          1HD1      LEU  99  -4.278   2.939  -4.221
  806   2HD1  LEU  99          2HD1      LEU  99  -4.867   1.398  -3.632
  807   3HD1  LEU  99          3HD1      LEU  99  -5.548   2.899  -3.001
  808   1HD2  LEU  99          1HD2      LEU  99  -6.281   0.995  -6.591
  809   2HD2  LEU  99          2HD2      LEU  99  -7.207   0.526  -5.164
  810   3HD2  LEU  99          3HD2      LEU  99  -5.446   0.407  -5.152
  811    H    LEU 100           H        LEU 100  -6.912   5.845  -3.304
  812    HA   LEU 100           HA       LEU 100  -8.491   5.813  -1.119
  813   1HB   LEU 100          2HB       LEU 100  -7.011   8.067  -2.447
  814   2HB   LEU 100          1HB       LEU 100  -7.951   8.363  -0.986
  815    HG   LEU 100           HG       LEU 100  -5.645   6.428  -1.325
  816   1HD1  LEU 100          1HD1      LEU 100  -5.894   8.557   0.774
  817   2HD1  LEU 100          2HD1      LEU 100  -5.417   9.014  -0.861
  818   3HD1  LEU 100          3HD1      LEU 100  -4.440   7.865   0.054
  819   1HD2  LEU 100          1HD2      LEU 100  -7.679   6.748   0.888
  820   2HD2  LEU 100          2HD2      LEU 100  -6.077   6.077   1.195
  821   3HD2  LEU 100          3HD2      LEU 100  -7.171   5.267   0.077
  822    HA   PRO 101           HA       PRO 101 -11.452   8.756  -3.489
  823   1HB   PRO 101          2HB       PRO 101 -11.065   7.549  -6.180
  824   2HB   PRO 101          1HB       PRO 101 -11.369   9.241  -5.750
  825   1HG   PRO 101          2HG       PRO 101  -8.909   8.238  -6.480
  826   2HG   PRO 101          1HG       PRO 101  -9.125   9.675  -5.466
  827   1HD   PRO 101          2HD       PRO 101  -8.093   7.066  -4.717
  828   2HD   PRO 101          1HD       PRO 101  -8.130   8.560  -3.765
  829    H    LYS 102           H        LYS 102 -10.986   5.394  -4.587
  830    HA   LYS 102           HA       LYS 102 -13.620   4.763  -5.230
  831   1HB   LYS 102          2HB       LYS 102 -11.742   2.921  -3.772
  832   2HB   LYS 102          1HB       LYS 102 -13.045   2.479  -4.859
  833   1HG   LYS 102          2HG       LYS 102 -11.549   4.126  -6.444
  834   2HG   LYS 102          1HG       LYS 102 -10.309   3.396  -5.423
  835   1HD   LYS 102          2HD       LYS 102 -11.062   1.161  -6.018
  836   2HD   LYS 102          1HD       LYS 102 -12.398   1.828  -6.958
  837   1HE   LYS 102          2HE       LYS 102 -11.032   2.488  -8.692
  838   2HE   LYS 102          1HE       LYS 102  -9.650   2.771  -7.634
  839   1HZ   LYS 102          1HZ       LYS 102  -8.953   0.800  -8.259
  840   2HZ   LYS 102          2HZ       LYS 102 -10.298   0.465  -9.058
  841   3HZ   LYS 102          3HZ       LYS 102 -10.186   0.115  -7.501
  842    H    PHE 103           H        PHE 103 -12.122   4.950  -2.022
  843    HA   PHE 103           HA       PHE 103 -14.743   4.116  -0.976
  844   1HB   PHE 103          2HB       PHE 103 -13.169   3.907   1.204
  845   2HB   PHE 103          1HB       PHE 103 -13.382   2.592   0.052
  846    HD1  PHE 103           HD1      PHE 103 -11.742   2.597  -2.006
  847    HD2  PHE 103           HD2      PHE 103 -11.009   4.677   1.679
  848    HE1  PHE 103           HE1      PHE 103  -9.328   2.643  -2.520
  849    HE2  PHE 103           HE2      PHE 103  -8.580   4.716   1.169
  850    HZ   PHE 103           HZ       PHE 103  -7.741   3.697  -0.934
  851    H    LYS 104           H        LYS 104 -12.852   6.818  -1.467
  852    HA   LYS 104           HA       LYS 104 -14.503   8.336   0.384
  853   1HB   LYS 104          2HB       LYS 104 -11.693   7.686   0.927
  854   2HB   LYS 104          1HB       LYS 104 -12.032   9.417   0.960
  855   1HG   LYS 104          2HG       LYS 104 -12.659   8.956   3.114
  856   2HG   LYS 104          1HG       LYS 104 -14.177   8.516   2.333
  857   1HD   LYS 104          2HD       LYS 104 -12.879   6.178   2.054
  858   2HD   LYS 104          1HD       LYS 104 -12.073   6.765   3.505
  859   1HE   LYS 104          2HE       LYS 104 -14.186   5.371   3.880
  860   2HE   LYS 104          1HE       LYS 104 -14.123   6.927   4.708
  861   1HZ   LYS 104          1HZ       LYS 104 -15.632   7.793   3.277
  862   2HZ   LYS 104          2HZ       LYS 104 -16.168   6.286   3.330
  863   3HZ   LYS 104          3HZ       LYS 104 -15.303   6.783   2.079
  864    H    ARG 105           H        ARG 105 -15.282   9.732  -1.130
  865    HA   ARG 105           HA       ARG 105 -13.312  11.379  -2.556
  866   1HB   ARG 105          2HB       ARG 105 -13.915   9.634  -4.161
  867   2HB   ARG 105          1HB       ARG 105 -15.630   9.935  -3.875
  868   1HG   ARG 105          2HG       ARG 105 -15.026  11.107  -5.894
  869   2HG   ARG 105          1HG       ARG 105 -15.245  12.317  -4.630
  870   1HD   ARG 105          2HD       ARG 105 -13.089  12.969  -4.765
  871   2HD   ARG 105          1HD       ARG 105 -12.515  11.304  -4.680
  872    HE   ARG 105           HE       ARG 105 -13.482  11.528  -7.225
  873   1HH1  ARG 105          1HH2      ARG 105 -11.287  13.294  -5.224
  874   2HH1  ARG 105          2HH2      ARG 105 -10.299  13.813  -6.547
  875   1HH2  ARG 105          1HH1      ARG 105 -12.199  12.201  -8.955
  876   2HH2  ARG 105          2HH1      ARG 105 -10.813  13.196  -8.656
  877    H    LYS 106           H        LYS 106 -16.861  10.887  -2.411
  878    HA   LYS 106           HA       LYS 106 -17.521  13.596  -2.656
  879   1HB   LYS 106          2HB       LYS 106 -19.697  12.967  -1.754
  880   2HB   LYS 106          1HB       LYS 106 -19.133  11.695  -2.838
  881   1HG   LYS 106          2HG       LYS 106 -18.194  10.520  -0.790
  882   2HG   LYS 106          1HG       LYS 106 -19.071  11.697   0.188
  883   1HD   LYS 106          2HD       LYS 106 -20.706  10.086   0.065
  884   2HD   LYS 106          1HD       LYS 106 -21.074  10.939  -1.435
  885   1HE   LYS 106          2HE       LYS 106 -19.082   9.195  -2.217
  886   2HE   LYS 106          1HE       LYS 106 -19.985   8.240  -1.041
  887   1HZ   LYS 106          1HZ       LYS 106 -20.803   8.213  -3.383
  888   2HZ   LYS 106          2HZ       LYS 106 -21.317   9.712  -3.163
  889   3HZ   LYS 106          3HZ       LYS 106 -21.909   8.524  -2.268
  890    H    ALA 107           H        ALA 107 -17.543  15.273  -1.193
  891    HA   ALA 107           HA       ALA 107 -16.945  14.587   1.623
  892   1HB   ALA 107          1HB       ALA 107 -15.475  16.285  -0.262
  893   2HB   ALA 107          2HB       ALA 107 -14.953  15.606   1.279
  894   3HB   ALA 107          3HB       ALA 107 -15.876  17.108   1.245
  895    H    ASN 108           H        ASN 108 -17.981  17.323  -0.452
  896    HA   ASN 108           HA       ASN 108 -20.036  17.884   1.607
  897   1HB   ASN 108          2HB       ASN 108 -18.363  19.769  -0.065
  898   2HB   ASN 108          1HB       ASN 108 -19.837  20.283   0.756
  899   1HD2  ASN 108          1HD2      ASN 108 -18.810  21.612   2.363
  900   2HD2  ASN 108          2HD2      ASN 108 -17.788  20.975   3.559
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -12.275 -20.581  -4.847
    2   2H    MET   1          2H        MET   1 -12.797 -21.085  -3.421
    3   3H    MET   1          3H        MET   1 -11.350 -20.414  -3.550
    4    HA   MET   1           HA       MET   1 -13.868 -19.181  -3.232
    5   1HB   MET   1          2HB       MET   1 -11.389 -18.998  -2.077
    6   2HB   MET   1          1HB       MET   1 -11.383 -17.591  -3.140
    7   1HG   MET   1          2HG       MET   1 -13.455 -16.780  -2.163
    8   2HG   MET   1          1HG       MET   1 -13.611 -18.243  -1.191
    9   1HE   MET   1          1HE       MET   1 -12.882 -15.164   1.113
   10   2HE   MET   1          2HE       MET   1 -13.643 -16.741   1.304
   11   3HE   MET   1          3HE       MET   1 -14.038 -15.744  -0.093
   12    H    ALA   2           H        ALA   2 -14.397 -17.115  -4.258
   13    HA   ALA   2           HA       ALA   2 -13.978 -17.189  -7.086
   14   1HB   ALA   2          1HB       ALA   2 -14.998 -14.802  -5.552
   15   2HB   ALA   2          2HB       ALA   2 -15.995 -16.241  -5.769
   16   3HB   ALA   2          3HB       ALA   2 -15.437 -15.334  -7.175
   17    H    THR   3           H        THR   3 -12.183 -16.451  -8.107
   18    HA   THR   3           HA       THR   3 -10.411 -14.617  -6.654
   19    HB   THR   3           HB       THR   3  -9.446 -15.342  -9.264
   20    HG1  THR   3           HG1      THR   3 -10.771 -17.118  -9.173
   21   1HG2  THR   3          1HG2      THR   3  -7.535 -15.725  -8.075
   22   2HG2  THR   3          2HG2      THR   3  -8.374 -16.657  -6.835
   23   3HG2  THR   3          3HG2      THR   3  -8.418 -14.894  -6.795
   24    H    SER   4           H        SER   4 -12.076 -14.884  -9.804
   25    HA   SER   4           HA       SER   4 -11.314 -12.251 -10.625
   26   1HB   SER   4          2HB       SER   4 -12.044 -14.140 -12.151
   27   2HB   SER   4          1HB       SER   4 -13.689 -13.866 -11.583
   28    HG   SER   4           HG       SER   4 -13.786 -12.218 -12.870
   29    H    SER   5           H        SER   5 -13.519 -13.389  -8.322
   30    HA   SER   5           HA       SER   5 -15.721 -11.723  -8.570
   31   1HB   SER   5          2HB       SER   5 -14.424 -13.225  -6.442
   32   2HB   SER   5          1HB       SER   5 -15.124 -11.725  -5.838
   33    HG   SER   5           HG       SER   5 -16.424 -13.713  -7.400
   34    H    GLU   6           H        GLU   6 -13.178 -10.958  -6.198
   35    HA   GLU   6           HA       GLU   6 -13.800  -8.187  -6.264
   36   1HB   GLU   6          2HB       GLU   6 -11.323  -8.110  -5.257
   37   2HB   GLU   6          1HB       GLU   6 -12.705  -8.630  -4.303
   38   1HG   GLU   6          2HG       GLU   6 -12.139 -10.901  -4.489
   39   2HG   GLU   6          1HG       GLU   6 -11.153 -10.632  -5.926
   40    H    GLU   7           H        GLU   7 -12.263  -6.484  -6.919
   41    HA   GLU   7           HA       GLU   7 -10.760  -7.290  -9.346
   42   1HB   GLU   7          2HB       GLU   7 -11.924  -4.539  -8.970
   43   2HB   GLU   7          1HB       GLU   7 -11.480  -5.358 -10.468
   44   1HG   GLU   7          2HG       GLU   7 -13.341  -7.041  -9.904
   45   2HG   GLU   7          1HG       GLU   7 -13.885  -5.860  -8.712
   46    H    VAL   8           H        VAL   8  -8.551  -7.140  -8.730
   47    HA   VAL   8           HA       VAL   8  -7.924  -5.096  -6.751
   48    HB   VAL   8           HB       VAL   8  -6.185  -6.450  -6.115
   49   1HG1  VAL   8          1HG1      VAL   8  -8.431  -7.864  -6.679
   50   2HG1  VAL   8          2HG1      VAL   8  -7.000  -8.575  -5.932
   51   3HG1  VAL   8          3HG1      VAL   8  -7.260  -8.734  -7.669
   52   1HG2  VAL   8          1HG2      VAL   8  -5.835  -6.844  -9.057
   53   2HG2  VAL   8          2HG2      VAL   8  -5.183  -8.088  -7.990
   54   3HG2  VAL   8          3HG2      VAL   8  -4.639  -6.418  -7.831
   55    H    LEU   9           H        LEU   9  -6.148  -3.679  -7.112
   56    HA   LEU   9           HA       LEU   9  -6.013  -2.903  -9.940
   57   1HB   LEU   9          2HB       LEU   9  -6.742  -1.200  -8.360
   58   2HB   LEU   9          1HB       LEU   9  -5.248  -1.384  -7.446
   59    HG   LEU   9           HG       LEU   9  -3.972  -0.764  -9.502
   60   1HD1  LEU   9          1HD1      LEU   9  -5.778  -1.438 -11.097
   61   2HD1  LEU   9          2HD1      LEU   9  -5.169   0.190 -11.396
   62   3HD1  LEU   9          3HD1      LEU   9  -6.713  -0.036 -10.575
   63   1HD2  LEU   9          1HD2      LEU   9  -6.057   1.265  -8.632
   64   2HD2  LEU   9          2HD2      LEU   9  -4.503   1.635  -9.378
   65   3HD2  LEU   9          3HD2      LEU   9  -4.561   0.922  -7.766
   66    H    LEU  10           H        LEU  10  -3.616  -3.575  -7.241
   67    HA   LEU  10           HA       LEU  10  -1.795  -4.478  -9.252
   68   1HB   LEU  10          2HB       LEU  10  -1.728  -1.982  -9.589
   69   2HB   LEU  10          1HB       LEU  10  -1.068  -1.845  -7.959
   70    HG   LEU  10           HG       LEU  10   0.265  -3.831  -9.706
   71   1HD1  LEU  10          1HD1      LEU  10   1.432  -2.247 -11.055
   72   2HD1  LEU  10          2HD1      LEU  10   0.787  -0.884 -10.140
   73   3HD1  LEU  10          3HD1      LEU  10  -0.274  -1.819 -11.194
   74   1HD2  LEU  10          1HD2      LEU  10   0.764  -2.384  -7.320
   75   2HD2  LEU  10          2HD2      LEU  10   1.939  -1.810  -8.504
   76   3HD2  LEU  10          3HD2      LEU  10   1.840  -3.529  -8.122
   77    H    ILE  11           H        ILE  11   0.286  -5.104  -8.343
   78    HA   ILE  11           HA       ILE  11   0.374  -5.132  -5.406
   79    HB   ILE  11           HB       ILE  11  -0.585  -7.248  -5.732
   80   1HG1  ILE  11          2HG1      ILE  11   1.789  -7.148  -4.602
   81   2HG1  ILE  11          1HG1      ILE  11   1.083  -8.711  -4.961
   82   1HG2  ILE  11          1HG2      ILE  11  -0.624  -7.424  -8.103
   83   2HG2  ILE  11          2HG2      ILE  11   0.334  -8.799  -7.556
   84   3HG2  ILE  11          3HG2      ILE  11   1.135  -7.372  -8.213
   85   1HD1  ILE  11          1HD1      ILE  11   2.688  -9.212  -6.474
   86   2HD1  ILE  11          2HD1      ILE  11   3.585  -7.865  -5.774
   87   3HD1  ILE  11          3HD1      ILE  11   2.598  -7.614  -7.213
   88    H    VAL  12           H        VAL  12   2.428  -5.127  -4.594
   89    HA   VAL  12           HA       VAL  12   4.646  -5.232  -6.546
   90    HB   VAL  12           HB       VAL  12   3.822  -3.107  -4.680
   91   1HG1  VAL  12          1HG1      VAL  12   6.500  -4.355  -4.415
   92   2HG1  VAL  12          2HG1      VAL  12   5.564  -3.412  -3.258
   93   3HG1  VAL  12          3HG1      VAL  12   6.447  -2.602  -4.542
   94   1HG2  VAL  12          1HG2      VAL  12   5.624  -3.367  -7.082
   95   2HG2  VAL  12          2HG2      VAL  12   5.472  -1.856  -6.182
   96   3HG2  VAL  12          3HG2      VAL  12   4.057  -2.561  -6.978
   97    H    LYS  13           H        LYS  13   6.114  -6.794  -5.943
   98    HA   LYS  13           HA       LYS  13   5.604  -8.272  -3.548
   99   1HB   LYS  13          2HB       LYS  13   7.371  -8.480  -5.835
  100   2HB   LYS  13          1HB       LYS  13   8.219  -8.862  -4.337
  101   1HG   LYS  13          2HG       LYS  13   5.617 -10.073  -4.260
  102   2HG   LYS  13          1HG       LYS  13   6.407 -10.511  -5.775
  103   1HD   LYS  13          2HD       LYS  13   8.415 -10.700  -3.816
  104   2HD   LYS  13          1HD       LYS  13   6.984 -11.430  -3.087
  105   1HE   LYS  13          2HE       LYS  13   6.786 -12.561  -5.496
  106   2HE   LYS  13          1HE       LYS  13   8.527 -12.283  -5.498
  107   1HZ   LYS  13          1HZ       LYS  13   8.460 -13.357  -3.259
  108   2HZ   LYS  13          2HZ       LYS  13   8.222 -14.332  -4.506
  109   3HZ   LYS  13          3HZ       LYS  13   6.982 -13.861  -3.611
  110    H    LYS  14           H        LYS  14   8.839  -7.052  -4.192
  111    HA   LYS  14           HA       LYS  14   9.545  -6.807  -1.602
  112   1HB   LYS  14          2HB       LYS  14  11.137  -6.488  -3.402
  113   2HB   LYS  14          1HB       LYS  14  10.357  -4.974  -3.862
  114   1HG   LYS  14          2HG       LYS  14  12.067  -4.162  -2.530
  115   2HG   LYS  14          1HG       LYS  14  10.807  -4.356  -1.319
  116   1HD   LYS  14          2HD       LYS  14  11.696  -6.617  -0.787
  117   2HD   LYS  14          1HD       LYS  14  13.005  -6.349  -1.938
  118   1HE   LYS  14          2HE       LYS  14  13.708  -4.349  -0.639
  119   2HE   LYS  14          1HE       LYS  14  12.438  -4.689   0.536
  120   1HZ   LYS  14          1HZ       LYS  14  14.952  -5.890   0.283
  121   2HZ   LYS  14          2HZ       LYS  14  13.801  -7.001   0.250
  122   3HZ   LYS  14          3HZ       LYS  14  13.906  -5.995   1.490
  123    H    VAL  15           H        VAL  15   8.959  -5.673   0.046
  124    HA   VAL  15           HA       VAL  15   8.379  -2.862  -0.263
  125    HB   VAL  15           HB       VAL  15   6.123  -4.672   0.596
  126   1HG1  VAL  15          1HG1      VAL  15   5.000  -2.749   1.502
  127   2HG1  VAL  15          2HG1      VAL  15   6.311  -1.678   1.010
  128   3HG1  VAL  15          3HG1      VAL  15   6.566  -2.847   2.308
  129   1HG2  VAL  15          1HG2      VAL  15   6.812  -2.811  -1.567
  130   2HG2  VAL  15          2HG2      VAL  15   5.196  -2.593  -0.910
  131   3HG2  VAL  15          3HG2      VAL  15   5.679  -4.157  -1.569
  132    H    ARG  16           H        ARG  16   8.530  -1.724   1.657
  133    HA   ARG  16           HA       ARG  16   9.659  -3.304   3.891
  134   1HB   ARG  16          2HB       ARG  16  11.431  -2.199   2.667
  135   2HB   ARG  16          1HB       ARG  16  10.539  -0.702   2.633
  136   1HG   ARG  16          2HG       ARG  16  11.892  -0.222   4.414
  137   2HG   ARG  16          1HG       ARG  16  10.600  -1.043   5.284
  138   1HD   ARG  16          2HD       ARG  16  12.907  -1.845   5.881
  139   2HD   ARG  16          1HD       ARG  16  11.846  -3.122   5.285
  140    HE   ARG  16           HE       ARG  16  13.106  -2.329   3.026
  141   1HH1  ARG  16          1HH2      ARG  16  14.154  -3.147   6.222
  142   2HH1  ARG  16          2HH2      ARG  16  15.663  -3.803   5.689
  143   1HH2  ARG  16          1HH1      ARG  16  15.066  -3.182   2.334
  144   2HH2  ARG  16          2HH1      ARG  16  16.179  -3.826   3.494
  145    H    GLN  17           H        GLN  17   8.624  -2.957   5.721
  146    HA   GLN  17           HA       GLN  17   7.377  -0.316   6.081
  147   1HB   GLN  17          2HB       GLN  17   5.401  -1.300   6.986
  148   2HB   GLN  17          1HB       GLN  17   5.723  -2.199   5.514
  149   1HG   GLN  17          2HG       GLN  17   6.757  -3.988   6.784
  150   2HG   GLN  17          1HG       GLN  17   6.576  -3.064   8.274
  151   1HE2  GLN  17          1HE2      GLN  17   4.779  -4.884   5.809
  152   2HE2  GLN  17          2HE2      GLN  17   3.340  -5.003   6.702
  153    H    LYS  18           H        LYS  18   7.993   0.562   7.972
  154    HA   LYS  18           HA       LYS  18  10.175   0.000   9.331
  155   1HB   LYS  18          2HB       LYS  18   7.634   1.222  10.217
  156   2HB   LYS  18          1HB       LYS  18   8.730   0.732  11.509
  157   1HG   LYS  18          2HG       LYS  18   9.658   2.785  11.113
  158   2HG   LYS  18          1HG       LYS  18  10.497   1.911   9.831
  159   1HD   LYS  18          2HD       LYS  18   7.784   2.996   9.215
  160   2HD   LYS  18          1HD       LYS  18   9.119   4.144   9.324
  161   1HE   LYS  18          2HE       LYS  18   9.848   1.754   7.813
  162   2HE   LYS  18          1HE       LYS  18   8.476   2.601   7.098
  163   1HZ   LYS  18          1HZ       LYS  18   9.739   4.541   6.982
  164   2HZ   LYS  18          2HZ       LYS  18  10.699   3.394   6.413
  165   3HZ   LYS  18          3HZ       LYS  18  10.922   3.963   7.892
  166    H    LYS  19           H        LYS  19   7.300  -1.985   9.667
  167    HA   LYS  19           HA       LYS  19   8.272  -3.313  12.029
  168   1HB   LYS  19          2HB       LYS  19   6.214  -4.314  12.018
  169   2HB   LYS  19          1HB       LYS  19   5.814  -3.127  10.787
  170   1HG   LYS  19          2HG       LYS  19   6.263  -4.742   8.995
  171   2HG   LYS  19          1HG       LYS  19   6.926  -5.891  10.148
  172   1HD   LYS  19          2HD       LYS  19   4.106  -4.904  10.442
  173   2HD   LYS  19          1HD       LYS  19   4.485  -6.171   9.267
  174   1HE   LYS  19          2HE       LYS  19   5.400  -6.356  12.145
  175   2HE   LYS  19          1HE       LYS  19   3.808  -6.928  11.647
  176   1HZ   LYS  19          1HZ       LYS  19   4.720  -8.610  10.527
  177   2HZ   LYS  19          2HZ       LYS  19   5.949  -8.415  11.532
  178   3HZ   LYS  19          3HZ       LYS  19   6.017  -7.797  10.058
  179    H    GLN  20           H        GLN  20   7.885  -4.252   8.673
  180    HA   GLN  20           HA       GLN  20  10.243  -5.976   8.772
  181   1HB   GLN  20          2HB       GLN  20   8.711  -7.564   9.489
  182   2HB   GLN  20          1HB       GLN  20   7.376  -6.811   8.632
  183   1HG   GLN  20          2HG       GLN  20   7.769  -8.781   7.425
  184   2HG   GLN  20          1HG       GLN  20   8.599  -7.575   6.472
  185   1HE2  GLN  20          1HE2      GLN  20   9.004 -10.614   7.830
  186   2HE2  GLN  20          2HE2      GLN  20  10.699 -10.651   7.911
  187    H    ASP  21           H        ASP  21  10.619  -6.958   6.538
  188    HA   ASP  21           HA       ASP  21   9.730  -5.033   4.485
  189   1HB   ASP  21          2HB       ASP  21  11.882  -7.119   4.056
  190   2HB   ASP  21          1HB       ASP  21  11.710  -5.556   3.252
  191    H    GLY  22           H        GLY  22   8.357  -5.966   3.043
  192   1HA   GLY  22          2HA       GLY  22   8.050  -8.817   2.820
  193   2HA   GLY  22          1HA       GLY  22   6.776  -8.042   3.730
  194    H    ALA  23           H        ALA  23   6.208  -9.290   1.248
  195    HA   ALA  23           HA       ALA  23   6.164  -7.200  -0.665
  196   1HB   ALA  23          1HB       ALA  23   5.279 -10.050  -0.603
  197   2HB   ALA  23          2HB       ALA  23   6.417  -9.264  -1.697
  198   3HB   ALA  23          3HB       ALA  23   4.684  -8.995  -1.885
  199    H    LEU  24           H        LEU  24   4.646  -6.030  -1.311
  200    HA   LEU  24           HA       LEU  24   2.153  -5.924   0.304
  201   1HB   LEU  24          2HB       LEU  24   3.998  -3.956  -0.677
  202   2HB   LEU  24          1HB       LEU  24   2.389  -3.576  -1.247
  203    HG   LEU  24           HG       LEU  24   3.351  -3.907   1.591
  204   1HD1  LEU  24          1HD1      LEU  24   1.783  -1.651   1.371
  205   2HD1  LEU  24          2HD1      LEU  24   2.518  -1.733  -0.227
  206   3HD1  LEU  24          3HD1      LEU  24   3.538  -1.662   1.205
  207   1HD2  LEU  24          1HD2      LEU  24   1.306  -5.017   1.771
  208   2HD2  LEU  24          2HD2      LEU  24   0.585  -4.122   0.433
  209   3HD2  LEU  24          3HD2      LEU  24   0.801  -3.344   2.001
  210    H    TYR  25           H        TYR  25   0.233  -6.252  -0.614
  211    HA   TYR  25           HA       TYR  25   0.006  -6.408  -3.571
  212   1HB   TYR  25          2HB       TYR  25  -1.148  -7.949  -1.283
  213   2HB   TYR  25          1HB       TYR  25  -2.212  -7.637  -2.651
  214    HD1  TYR  25           HD1      TYR  25   1.025  -9.136  -1.642
  215    HD2  TYR  25           HD2      TYR  25  -1.954  -8.776  -4.708
  216    HE1  TYR  25           HE1      TYR  25   2.079 -11.008  -2.866
  217    HE2  TYR  25           HE2      TYR  25  -0.906 -10.665  -5.948
  218    HH   TYR  25           HH       TYR  25   2.143 -12.100  -4.861
  219    H    LEU  26           H        LEU  26  -1.695  -4.975  -4.478
  220    HA   LEU  26           HA       LEU  26  -3.188  -3.553  -2.375
  221   1HB   LEU  26          2HB       LEU  26  -1.654  -1.963  -3.241
  222   2HB   LEU  26          1HB       LEU  26  -1.842  -2.556  -4.889
  223    HG   LEU  26           HG       LEU  26  -4.367  -1.671  -3.684
  224   1HD1  LEU  26          1HD1      LEU  26  -3.791   0.393  -2.990
  225   2HD1  LEU  26          2HD1      LEU  26  -2.936   0.706  -4.499
  226   3HD1  LEU  26          3HD1      LEU  26  -2.099  -0.072  -3.156
  227   1HD2  LEU  26          1HD2      LEU  26  -4.311  -2.115  -6.017
  228   2HD2  LEU  26          2HD2      LEU  26  -2.813  -1.210  -6.234
  229   3HD2  LEU  26          3HD2      LEU  26  -4.319  -0.355  -5.899
  230    H    MET  27           H        MET  27  -5.391  -3.357  -2.773
  231    HA   MET  27           HA       MET  27  -6.388  -4.411  -5.342
  232   1HB   MET  27          2HB       MET  27  -6.763  -6.180  -3.751
  233   2HB   MET  27          1HB       MET  27  -7.310  -5.039  -2.524
  234   1HG   MET  27          2HG       MET  27  -9.406  -4.986  -3.354
  235   2HG   MET  27          1HG       MET  27  -8.836  -4.839  -5.014
  236   1HE   MET  27          1HE       MET  27  -8.901  -8.567  -2.465
  237   2HE   MET  27          2HE       MET  27  -8.144  -7.001  -2.186
  238   3HE   MET  27          3HE       MET  27  -7.327  -8.201  -3.183
  239    H    ALA  28           H        ALA  28  -8.333  -3.307  -6.025
  240    HA   ALA  28           HA       ALA  28  -8.514  -0.627  -5.659
  241   1HB   ALA  28          1HB       ALA  28 -10.004  -1.388  -7.257
  242   2HB   ALA  28          2HB       ALA  28 -11.126  -1.102  -5.928
  243   3HB   ALA  28          3HB       ALA  28 -10.551  -2.740  -6.260
  244    H    GLU  29           H        GLU  29 -10.596  -2.881  -3.849
  245    HA   GLU  29           HA       GLU  29 -11.231  -0.774  -2.002
  246   1HB   GLU  29          2HB       GLU  29 -12.870  -2.473  -2.773
  247   2HB   GLU  29          1HB       GLU  29 -11.977  -3.695  -1.869
  248   1HG   GLU  29          2HG       GLU  29 -13.189  -3.146  -0.053
  249   2HG   GLU  29          1HG       GLU  29 -12.394  -1.573  -0.057
  250    H    ARG  30           H        ARG  30  -8.552  -2.973  -1.927
  251    HA   ARG  30           HA       ARG  30  -8.188  -2.118   0.812
  252   1HB   ARG  30          2HB       ARG  30  -8.374  -4.126   1.919
  253   2HB   ARG  30          1HB       ARG  30  -9.686  -4.254   0.757
  254   1HG   ARG  30          2HG       ARG  30  -7.381  -5.239  -0.547
  255   2HG   ARG  30          1HG       ARG  30  -7.359  -5.921   1.081
  256   1HD   ARG  30          2HD       ARG  30  -8.651  -7.402  -0.347
  257   2HD   ARG  30          1HD       ARG  30  -9.758  -6.592   0.757
  258    HE   ARG  30           HE       ARG  30  -9.650  -4.982  -1.494
  259   1HH1  ARG  30          1HH2      ARG  30 -10.322  -8.296  -0.764
  260   2HH1  ARG  30          2HH2      ARG  30 -11.487  -8.475  -2.031
  261   1HH2  ARG  30          1HH1      ARG  30 -11.204  -5.205  -3.136
  262   2HH2  ARG  30          2HH1      ARG  30 -11.982  -6.733  -3.371
  263    H    ILE  31           H        ILE  31  -6.203  -2.866   1.760
  264    HA   ILE  31           HA       ILE  31  -4.111  -3.247  -0.306
  265    HB   ILE  31           HB       ILE  31  -4.304  -1.579   2.163
  266   1HG1  ILE  31          2HG1      ILE  31  -4.285  -0.797  -0.267
  267   2HG1  ILE  31          1HG1      ILE  31  -3.131  -0.007   0.807
  268   1HG2  ILE  31          1HG2      ILE  31  -2.501  -3.243   2.714
  269   2HG2  ILE  31          2HG2      ILE  31  -1.900  -1.593   2.560
  270   3HG2  ILE  31          3HG2      ILE  31  -1.652  -2.748   1.251
  271   1HD1  ILE  31          1HD1      ILE  31  -2.219  -2.472  -0.605
  272   2HD1  ILE  31          2HD1      ILE  31  -1.310  -1.024  -0.173
  273   3HD1  ILE  31          3HD1      ILE  31  -2.391  -1.003  -1.566
  274    H    ALA  32           H        ALA  32  -2.892  -5.114  -0.145
  275    HA   ALA  32           HA       ALA  32  -3.259  -6.703   2.323
  276   1HB   ALA  32          1HB       ALA  32  -4.218  -8.157   0.871
  277   2HB   ALA  32          2HB       ALA  32  -2.550  -8.540   0.446
  278   3HB   ALA  32          3HB       ALA  32  -3.468  -7.395  -0.532
  279    H    TRP  33           H        TRP  33  -1.506  -7.889   3.088
  280    HA   TRP  33           HA       TRP  33   1.097  -7.151   1.878
  281   1HB   TRP  33          2HB       TRP  33   0.635  -5.812   3.925
  282   2HB   TRP  33          1HB       TRP  33   0.519  -7.308   4.832
  283    HD1  TRP  33           HD1      TRP  33   3.070  -6.220   2.163
  284    HE1  TRP  33           HE1      TRP  33   5.404  -6.440   3.228
  285    HE3  TRP  33           HE3      TRP  33   1.902  -7.848   6.864
  286    HZ2  TRP  33           HZ2      TRP  33   6.650  -7.172   5.557
  287    HZ3  TRP  33           HZ3      TRP  33   3.717  -8.347   8.466
  288    HH2  TRP  33           HH2      TRP  33   6.097  -8.026   7.814
  289    H    ALA  34           H        ALA  34   2.609  -8.715   1.881
  290    HA   ALA  34           HA       ALA  34   2.195 -11.193   3.323
  291   1HB   ALA  34          1HB       ALA  34   1.655 -10.895   0.454
  292   2HB   ALA  34          2HB       ALA  34   1.131 -12.147   1.582
  293   3HB   ALA  34          3HB       ALA  34   2.738 -12.228   0.858
  294    HA   PRO  35           HA       PRO  35   6.542 -10.466   2.925
  295   1HB   PRO  35          2HB       PRO  35   7.053 -11.906   5.349
  296   2HB   PRO  35          1HB       PRO  35   7.061 -10.153   5.110
  297   1HG   PRO  35          2HG       PRO  35   5.105 -11.734   6.518
  298   2HG   PRO  35          1HG       PRO  35   5.128  -9.980   6.292
  299   1HD   PRO  35          2HD       PRO  35   3.398 -11.904   5.025
  300   2HD   PRO  35          1HD       PRO  35   3.412 -10.143   4.814
  301    H    GLU  36           H        GLU  36   8.475 -12.229   3.576
  302    HA   GLU  36           HA       GLU  36   7.810 -14.529   1.896
  303   1HB   GLU  36          2HB       GLU  36  10.192 -14.897   1.792
  304   2HB   GLU  36          1HB       GLU  36   9.914 -13.170   1.568
  305   1HG   GLU  36          2HG       GLU  36  10.132 -13.719   4.379
  306   2HG   GLU  36          1HG       GLU  36  11.520 -14.422   3.548
  307    H    GLY  37           H        GLY  37   6.405 -14.860   4.154
  308   1HA   GLY  37          2HA       GLY  37   8.053 -16.446   6.004
  309   2HA   GLY  37          1HA       GLY  37   6.397 -15.910   6.294
  310    H    LYS  38           H        LYS  38   4.727 -17.271   5.734
  311    HA   LYS  38           HA       LYS  38   5.355 -19.560   3.991
  312   1HB   LYS  38          2HB       LYS  38   5.657 -20.446   6.222
  313   2HB   LYS  38          1HB       LYS  38   4.148 -19.712   6.766
  314   1HG   LYS  38          2HG       LYS  38   2.894 -21.114   5.157
  315   2HG   LYS  38          1HG       LYS  38   4.405 -21.868   4.649
  316   1HD   LYS  38          2HD       LYS  38   4.774 -22.625   6.999
  317   2HD   LYS  38          1HD       LYS  38   3.195 -21.964   7.427
  318   1HE   LYS  38          2HE       LYS  38   2.479 -23.458   5.297
  319   2HE   LYS  38          1HE       LYS  38   3.866 -24.395   5.852
  320   1HZ   LYS  38          1HZ       LYS  38   2.620 -23.938   8.106
  321   2HZ   LYS  38          2HZ       LYS  38   2.334 -25.234   7.212
  322   3HZ   LYS  38          3HZ       LYS  38   1.351 -23.974   7.130
  323    H    ASP  39           H        ASP  39   2.755 -17.997   5.896
  324    HA   ASP  39           HA       ASP  39   0.789 -18.843   3.930
  325   1HB   ASP  39          2HB       ASP  39   0.759 -17.464   6.578
  326   2HB   ASP  39          1HB       ASP  39  -0.596 -17.168   5.488
  327    H    ARG  40           H        ARG  40   1.576 -17.748   2.060
  328    HA   ARG  40           HA       ARG  40   2.440 -15.422   1.354
  329   1HB   ARG  40          2HB       ARG  40   0.339 -15.222  -0.289
  330   2HB   ARG  40          1HB       ARG  40   1.590 -16.448  -0.496
  331   1HG   ARG  40          2HG       ARG  40   0.250 -18.086   0.725
  332   2HG   ARG  40          1HG       ARG  40  -0.975 -16.867   1.068
  333   1HD   ARG  40          2HD       ARG  40  -1.908 -17.086  -0.974
  334   2HD   ARG  40          1HD       ARG  40  -0.346 -17.043  -1.786
  335    HE   ARG  40           HE       ARG  40  -1.903 -19.333  -1.352
  336   1HH1  ARG  40          1HH2      ARG  40   1.356 -18.251  -0.891
  337   2HH1  ARG  40          2HH2      ARG  40   1.988 -19.852  -0.736
  338   1HH2  ARG  40          1HH1      ARG  40  -1.071 -21.407  -1.175
  339   2HH2  ARG  40          2HH1      ARG  40   0.625 -21.632  -0.906
  340    H    PHE  41           H        PHE  41  -0.908 -14.872   1.013
  341    HA   PHE  41           HA       PHE  41  -0.876 -12.242   1.723
  342   1HB   PHE  41          2HB       PHE  41  -3.066 -14.301   1.969
  343   2HB   PHE  41          1HB       PHE  41  -3.337 -12.589   2.323
  344    HD1  PHE  41           HD1      PHE  41  -3.526 -14.969  -0.219
  345    HD2  PHE  41           HD2      PHE  41  -2.156 -10.964   0.520
  346    HE1  PHE  41           HE1      PHE  41  -3.631 -14.489  -2.649
  347    HE2  PHE  41           HE2      PHE  41  -2.266 -10.481  -1.917
  348    HZ   PHE  41           HZ       PHE  41  -2.995 -12.251  -3.494
  349    H    THR  42           H        THR  42  -0.463 -11.187   3.531
  350    HA   THR  42           HA       THR  42  -0.831 -12.606   6.096
  351    HB   THR  42           HB       THR  42   1.553 -11.704   4.973
  352    HG1  THR  42           HG1      THR  42   2.225 -12.705   6.674
  353   1HG2  THR  42          1HG2      THR  42   0.550  -9.660   6.964
  354   2HG2  THR  42          2HG2      THR  42   1.155  -9.375   5.329
  355   3HG2  THR  42          3HG2      THR  42   2.258  -9.901   6.600
  356    H    ILE  43           H        ILE  43  -1.665  -9.927   4.161
  357    HA   ILE  43           HA       ILE  43  -3.212  -8.859   6.409
  358    HB   ILE  43           HB       ILE  43  -0.734  -7.751   5.738
  359   1HG1  ILE  43          2HG1      ILE  43  -3.062  -6.910   7.434
  360   2HG1  ILE  43          1HG1      ILE  43  -1.523  -7.611   7.938
  361   1HG2  ILE  43          1HG2      ILE  43  -2.292  -6.580   3.881
  362   2HG2  ILE  43          2HG2      ILE  43  -1.045  -5.683   4.725
  363   3HG2  ILE  43          3HG2      ILE  43  -2.721  -5.567   5.249
  364   1HD1  ILE  43          1HD1      ILE  43  -0.746  -5.521   8.260
  365   2HD1  ILE  43          2HD1      ILE  43  -2.217  -4.838   7.574
  366   3HD1  ILE  43          3HD1      ILE  43  -0.868  -5.260   6.517
  367    H    SER  44           H        SER  44  -4.785  -7.311   5.799
  368    HA   SER  44           HA       SER  44  -5.229  -6.599   3.079
  369   1HB   SER  44          2HB       SER  44  -5.983  -9.161   3.515
  370   2HB   SER  44          1HB       SER  44  -7.451  -8.330   4.020
  371    HG   SER  44           HG       SER  44  -6.173  -7.569   1.640
  372    H    HIS  45           H        HIS  45  -5.714  -4.504   3.750
  373    HA   HIS  45           HA       HIS  45  -7.862  -4.269   5.770
  374   1HB   HIS  45          2HB       HIS  45  -6.692  -1.747   5.152
  375   2HB   HIS  45          1HB       HIS  45  -6.716  -2.585   6.699
  376    HD1  HIS  45           HD1      HIS  45  -4.426  -2.967   7.587
  377    HD2  HIS  45           HD2      HIS  45  -4.458  -2.911   3.435
  378    HE1  HIS  45           HE1      HIS  45  -2.010  -3.161   6.849
  379    H    MET  46           H        MET  46  -9.788  -3.686   4.993
  380    HA   MET  46           HA       MET  46 -10.177  -2.936   2.263
  381   1HB   MET  46          2HB       MET  46 -11.861  -3.291   4.673
  382   2HB   MET  46          1HB       MET  46 -12.464  -2.107   3.513
  383   1HG   MET  46          2HG       MET  46 -13.396  -4.061   2.663
  384   2HG   MET  46          1HG       MET  46 -11.885  -3.994   1.756
  385   1HE   MET  46          1HE       MET  46 -13.631  -6.094   4.969
  386   2HE   MET  46          2HE       MET  46 -13.573  -7.313   3.698
  387   3HE   MET  46          3HE       MET  46 -14.219  -5.712   3.344
  388    H    TYR  47           H        TYR  47  -9.386  -1.021   1.572
  389    HA   TYR  47           HA       TYR  47  -8.442   1.105   2.843
  390   1HB   TYR  47          2HB       TYR  47  -9.940   0.851   0.291
  391   2HB   TYR  47          1HB       TYR  47  -9.669   2.480   0.892
  392    HD1  TYR  47           HD1      TYR  47  -6.912   1.424   2.342
  393    HD2  TYR  47           HD2      TYR  47  -8.465   1.372  -1.676
  394    HE1  TYR  47           HE1      TYR  47  -4.625   1.344   1.446
  395    HE2  TYR  47           HE2      TYR  47  -6.173   1.279  -2.546
  396    HH   TYR  47           HH       TYR  47  -3.414   1.825  -0.552
  397    H    ALA  48           H        ALA  48 -11.978   0.596   2.551
  398    HA   ALA  48           HA       ALA  48 -12.633   3.142   3.699
  399   1HB   ALA  48          1HB       ALA  48 -14.365   1.936   2.539
  400   2HB   ALA  48          2HB       ALA  48 -14.827   1.987   4.243
  401   3HB   ALA  48          3HB       ALA  48 -14.137   0.514   3.560
  402    H    ASP  49           H        ASP  49 -12.216  -0.082   4.960
  403    HA   ASP  49           HA       ASP  49 -12.601   0.440   7.732
  404   1HB   ASP  49          2HB       ASP  49 -10.755  -1.589   6.437
  405   2HB   ASP  49          1HB       ASP  49 -11.299  -1.616   8.114
  406    H    ILE  50           H        ILE  50 -10.316   1.669   5.658
  407    HA   ILE  50           HA       ILE  50  -8.493   2.267   7.897
  408    HB   ILE  50           HB       ILE  50  -7.374   2.473   5.172
  409   1HG1  ILE  50          2HG1      ILE  50  -8.771   0.387   5.032
  410   2HG1  ILE  50          1HG1      ILE  50  -7.042   0.085   4.877
  411   1HG2  ILE  50          1HG2      ILE  50  -6.548   1.449   7.869
  412   2HG2  ILE  50          2HG2      ILE  50  -5.888   2.812   6.974
  413   3HG2  ILE  50          3HG2      ILE  50  -5.549   1.160   6.452
  414   1HD1  ILE  50          1HD1      ILE  50  -8.398  -0.045   7.563
  415   2HD1  ILE  50          2HD1      ILE  50  -6.871  -0.769   7.065
  416   3HD1  ILE  50          3HD1      ILE  50  -8.396  -1.438   6.484
  417    H    LYS  51           H        LYS  51  -8.905   4.571   8.355
  418    HA   LYS  51           HA       LYS  51  -9.149   6.133   5.849
  419   1HB   LYS  51          2HB       LYS  51 -11.352   5.787   7.127
  420   2HB   LYS  51          1HB       LYS  51 -10.672   6.905   8.314
  421   1HG   LYS  51          2HG       LYS  51 -10.758   7.508   5.357
  422   2HG   LYS  51          1HG       LYS  51 -12.033   8.016   6.470
  423   1HD   LYS  51          2HD       LYS  51 -10.028   9.008   7.852
  424   2HD   LYS  51          1HD       LYS  51  -9.160   8.910   6.317
  425   1HE   LYS  51          2HE       LYS  51 -10.475  10.522   5.317
  426   2HE   LYS  51          1HE       LYS  51 -11.894  10.119   6.284
  427   1HZ   LYS  51          1HZ       LYS  51 -10.789  11.136   8.151
  428   2HZ   LYS  51          2HZ       LYS  51 -10.961  12.194   6.963
  429   3HZ   LYS  51          3HZ       LYS  51  -9.531  11.534   7.244
  430    H    CYS  52           H        CYS  52  -7.315   7.078   5.806
  431    HA   CYS  52           HA       CYS  52  -6.793   9.436   7.059
  432   1HB   CYS  52          2HB       CYS  52  -5.896   7.126   8.567
  433   2HB   CYS  52          1HB       CYS  52  -4.593   8.256   8.224
  434    HG   CYS  52           HG       CYS  52  -7.066   8.840   9.998
  435    H    GLN  53           H        GLN  53  -5.292  10.361   5.605
  436    HA   GLN  53           HA       GLN  53  -3.554   8.407   4.240
  437   1HB   GLN  53          2HB       GLN  53  -5.054  10.462   2.640
  438   2HB   GLN  53          1HB       GLN  53  -4.282   8.977   2.089
  439   1HG   GLN  53          2HG       GLN  53  -6.480   8.280   2.088
  440   2HG   GLN  53          1HG       GLN  53  -6.059   7.871   3.747
  441   1HE2  GLN  53          1HE2      GLN  53  -8.487   9.280   2.035
  442   2HE2  GLN  53          2HE2      GLN  53  -9.057  10.396   3.179
  443    H    LYS  54           H        LYS  54  -1.607   9.077   4.001
  444    HA   LYS  54           HA       LYS  54  -0.986  11.907   3.595
  445   1HB   LYS  54          2HB       LYS  54  -0.520  11.945   5.874
  446   2HB   LYS  54          1HB       LYS  54  -0.242  10.204   5.946
  447   1HG   LYS  54          2HG       LYS  54   1.972  10.397   5.398
  448   2HG   LYS  54          1HG       LYS  54   1.699  11.778   4.334
  449   1HD   LYS  54          2HD       LYS  54   2.136  13.256   5.986
  450   2HD   LYS  54          1HD       LYS  54   1.085  12.404   7.119
  451   1HE   LYS  54          2HE       LYS  54   2.833  11.361   8.098
  452   2HE   LYS  54          1HE       LYS  54   3.518  10.898   6.541
  453   1HZ   LYS  54          1HZ       LYS  54   4.165  13.105   8.184
  454   2HZ   LYS  54          2HZ       LYS  54   3.943  13.522   6.655
  455   3HZ   LYS  54          3HZ       LYS  54   5.032  12.412   7.030
  456    H    ILE  55           H        ILE  55   0.075  11.718   1.633
  457    HA   ILE  55           HA       ILE  55   2.164   9.648   1.459
  458    HB   ILE  55           HB       ILE  55   0.474  10.135  -0.955
  459   1HG1  ILE  55          2HG1      ILE  55  -1.107   9.719   0.976
  460   2HG1  ILE  55          1HG1      ILE  55  -1.166   8.488  -0.286
  461   1HG2  ILE  55          1HG2      ILE  55   2.409   8.179   0.081
  462   2HG2  ILE  55          2HG2      ILE  55   2.010   8.592  -1.586
  463   3HG2  ILE  55          3HG2      ILE  55   1.008   7.445  -0.697
  464   1HD1  ILE  55          1HD1      ILE  55  -0.685   8.072   2.454
  465   2HD1  ILE  55          2HD1      ILE  55   0.876   7.845   1.663
  466   3HD1  ILE  55          3HD1      ILE  55  -0.518   6.888   1.157
  467    H    SER  56           H        SER  56   3.875  11.039   1.353
  468    HA   SER  56           HA       SER  56   3.730  13.080  -0.786
  469   1HB   SER  56          2HB       SER  56   5.810  13.586   1.150
  470   2HB   SER  56          1HB       SER  56   4.477  14.624   0.657
  471    HG   SER  56           HG       SER  56   4.323  14.074   2.859
  472    HA   PRO  57           HA       PRO  57   7.544  10.296  -0.983
  473   1HB   PRO  57          2HB       PRO  57   6.581   8.317  -2.824
  474   2HB   PRO  57          1HB       PRO  57   7.193   8.131  -1.182
  475   1HG   PRO  57          2HG       PRO  57   4.465   7.933  -2.048
  476   2HG   PRO  57          1HG       PRO  57   5.122   7.646  -0.462
  477   1HD   PRO  57          2HD       PRO  57   3.556   9.883  -1.313
  478   2HD   PRO  57          1HD       PRO  57   4.273   9.601   0.283
  479    H    GLU  58           H        GLU  58   5.393  11.891  -2.970
  480    HA   GLU  58           HA       GLU  58   6.438  11.550  -5.526
  481   1HB   GLU  58          2HB       GLU  58   5.218  13.427  -6.051
  482   2HB   GLU  58          1HB       GLU  58   4.537  13.136  -4.455
  483   1HG   GLU  58          2HG       GLU  58   5.103  15.359  -4.214
  484   2HG   GLU  58          1HG       GLU  58   6.616  14.620  -3.689
  485    H    GLY  59           H        GLY  59   7.798  13.080  -2.691
  486   1HA   GLY  59          2HA       GLY  59  10.305  13.423  -4.153
  487   2HA   GLY  59          1HA       GLY  59   9.647  14.845  -3.338
  488    H    LYS  60           H        LYS  60   9.612  11.413  -2.220
  489    HA   LYS  60           HA       LYS  60  11.005  12.452   0.180
  490   1HB   LYS  60          2HB       LYS  60   9.018  10.191  -0.070
  491   2HB   LYS  60          1HB       LYS  60   9.877  10.603   1.407
  492   1HG   LYS  60          2HG       LYS  60   8.486  12.838   0.033
  493   2HG   LYS  60          1HG       LYS  60   7.466  11.638   0.829
  494   1HD   LYS  60          2HD       LYS  60   8.836  11.923   2.905
  495   2HD   LYS  60          1HD       LYS  60   9.716  13.224   2.101
  496   1HE   LYS  60          2HE       LYS  60   7.463  14.340   1.706
  497   2HE   LYS  60          1HE       LYS  60   6.773  13.142   2.801
  498   1HZ   LYS  60          1HZ       LYS  60   8.934  14.122   4.079
  499   2HZ   LYS  60          2HZ       LYS  60   7.411  14.494   4.395
  500   3HZ   LYS  60          3HZ       LYS  60   8.274  15.424   3.421
  501    H    ALA  61           H        ALA  61  11.787  10.466   1.491
  502    HA   ALA  61           HA       ALA  61  14.197   9.604   0.781
  503   1HB   ALA  61          1HB       ALA  61  12.939   7.256   1.810
  504   2HB   ALA  61          2HB       ALA  61  12.209   8.660   2.589
  505   3HB   ALA  61          3HB       ALA  61  13.954   8.417   2.665
  506    H    LYS  62           H        LYS  62  11.481   7.309   0.143
  507    HA   LYS  62           HA       LYS  62  12.389   6.968  -2.559
  508   1HB   LYS  62          2HB       LYS  62  12.663   4.346  -1.826
  509   2HB   LYS  62          1HB       LYS  62  13.992   5.438  -2.164
  510   1HG   LYS  62          2HG       LYS  62  12.801   5.489   0.588
  511   2HG   LYS  62          1HG       LYS  62  13.807   4.108   0.164
  512   1HD   LYS  62          2HD       LYS  62  15.123   6.474  -0.742
  513   2HD   LYS  62          1HD       LYS  62  14.639   6.714   0.938
  514   1HE   LYS  62          2HE       LYS  62  16.166   4.312  -0.110
  515   2HE   LYS  62          1HE       LYS  62  16.882   5.662   0.770
  516   1HZ   LYS  62          1HZ       LYS  62  15.835   5.029   2.668
  517   2HZ   LYS  62          2HZ       LYS  62  16.124   3.591   2.029
  518   3HZ   LYS  62          3HZ       LYS  62  14.659   4.229   1.932
  519    H    ILE  63           H        ILE  63   9.682   7.458  -1.409
  520    HA   ILE  63           HA       ILE  63   7.695   6.774  -2.059
  521    HB   ILE  63           HB       ILE  63   7.262   5.154  -3.542
  522   1HG1  ILE  63          2HG1      ILE  63   9.048   3.474  -1.946
  523   2HG1  ILE  63          1HG1      ILE  63   7.783   2.992  -3.055
  524   1HG2  ILE  63          1HG2      ILE  63   9.154   6.818  -4.118
  525   2HG2  ILE  63          2HG2      ILE  63   8.862   5.467  -5.212
  526   3HG2  ILE  63          3HG2      ILE  63  10.211   5.408  -4.079
  527   1HD1  ILE  63          1HD1      ILE  63  10.156   2.192  -3.654
  528   2HD1  ILE  63          2HD1      ILE  63  10.532   3.869  -4.016
  529   3HD1  ILE  63          3HD1      ILE  63   9.296   3.034  -4.940
  530    H    GLN  64           H        GLN  64   7.270   7.002   0.024
  531    HA   GLN  64           HA       GLN  64   6.540   4.497   1.439
  532   1HB   GLN  64          2HB       GLN  64   7.331   5.303   3.522
  533   2HB   GLN  64          1HB       GLN  64   8.619   5.688   2.385
  534   1HG   GLN  64          2HG       GLN  64   6.444   7.628   3.217
  535   2HG   GLN  64          1HG       GLN  64   8.065   7.591   3.910
  536   1HE2  GLN  64          1HE2      GLN  64   9.541   7.048   1.491
  537   2HE2  GLN  64          2HE2      GLN  64   9.413   8.408   0.484
  538    H    LEU  65           H        LEU  65   4.423   4.513   2.177
  539    HA   LEU  65           HA       LEU  65   3.077   7.145   2.102
  540   1HB   LEU  65          2HB       LEU  65   0.995   5.849   1.488
  541   2HB   LEU  65          1HB       LEU  65   2.249   5.852   0.265
  542    HG   LEU  65           HG       LEU  65   1.101   3.622   0.731
  543   1HD1  LEU  65          1HD1      LEU  65   3.732   2.719   1.138
  544   2HD1  LEU  65          2HD1      LEU  65   3.881   4.256   0.285
  545   3HD1  LEU  65          3HD1      LEU  65   2.915   2.954  -0.408
  546   1HD2  LEU  65          1HD2      LEU  65   2.952   3.456   3.076
  547   2HD2  LEU  65          2HD2      LEU  65   1.644   2.369   2.626
  548   3HD2  LEU  65          3HD2      LEU  65   1.276   3.965   3.265
  549    H    GLN  66           H        GLN  66   1.056   7.182   3.529
  550    HA   GLN  66           HA       GLN  66   1.207   5.367   5.823
  551   1HB   GLN  66          2HB       GLN  66   2.462   7.833   5.935
  552   2HB   GLN  66          1HB       GLN  66   0.882   8.159   6.649
  553   1HG   GLN  66          2HG       GLN  66   1.214   6.134   8.122
  554   2HG   GLN  66          1HG       GLN  66   2.863   6.030   7.503
  555   1HE2  GLN  66          1HE2      GLN  66   0.643   8.217   9.278
  556   2HE2  GLN  66          2HE2      GLN  66   1.875   9.081  10.065
  557    H    LEU  67           H        LEU  67  -0.814   4.791   6.347
  558    HA   LEU  67           HA       LEU  67  -3.040   6.675   5.888
  559   1HB   LEU  67          2HB       LEU  67  -3.475   5.389   4.031
  560   2HB   LEU  67          1HB       LEU  67  -2.523   4.035   4.617
  561    HG   LEU  67           HG       LEU  67  -4.777   4.175   6.329
  562   1HD1  LEU  67          1HD1      LEU  67  -5.347   5.111   3.599
  563   2HD1  LEU  67          2HD1      LEU  67  -6.334   5.227   5.056
  564   3HD1  LEU  67          3HD1      LEU  67  -6.337   3.740   4.105
  565   1HD2  LEU  67          1HD2      LEU  67  -3.975   2.051   5.858
  566   2HD2  LEU  67          2HD2      LEU  67  -3.717   2.418   4.152
  567   3HD2  LEU  67          3HD2      LEU  67  -5.347   2.107   4.751
  568    H    VAL  68           H        VAL  68  -4.753   6.298   7.412
  569    HA   VAL  68           HA       VAL  68  -3.879   4.480   9.581
  570    HB   VAL  68           HB       VAL  68  -5.524   6.920  10.182
  571   1HG1  VAL  68          1HG1      VAL  68  -3.598   5.181  11.724
  572   2HG1  VAL  68          2HG1      VAL  68  -5.350   5.253  11.939
  573   3HG1  VAL  68          3HG1      VAL  68  -4.350   6.636  12.366
  574   1HG2  VAL  68          1HG2      VAL  68  -2.920   6.943   9.116
  575   2HG2  VAL  68          2HG2      VAL  68  -2.749   7.167  10.855
  576   3HG2  VAL  68          3HG2      VAL  68  -3.751   8.276   9.918
  577    H    LEU  69           H        LEU  69  -5.469   3.654  10.913
  578    HA   LEU  69           HA       LEU  69  -7.778   2.746   9.430
  579   1HB   LEU  69          2HB       LEU  69  -6.645   2.159  12.177
  580   2HB   LEU  69          1HB       LEU  69  -8.085   1.380  11.543
  581    HG   LEU  69           HG       LEU  69  -5.811   0.154  11.319
  582   1HD1  LEU  69          1HD1      LEU  69  -6.460  -0.452   8.852
  583   2HD1  LEU  69          2HD1      LEU  69  -7.889   0.520   9.243
  584   3HD1  LEU  69          3HD1      LEU  69  -7.500  -0.899  10.213
  585   1HD2  LEU  69          1HD2      LEU  69  -4.686   0.661   9.121
  586   2HD2  LEU  69          2HD2      LEU  69  -4.404   1.852  10.382
  587   3HD2  LEU  69          3HD2      LEU  69  -5.562   2.182   9.100
  588    H    HIS  70           H        HIS  70  -9.973   3.286  10.068
  589    HA   HIS  70           HA       HIS  70 -10.471   5.795  11.182
  590   1HB   HIS  70          2HB       HIS  70 -12.710   4.640  11.933
  591   2HB   HIS  70          1HB       HIS  70 -12.362   4.773  10.209
  592    HD1  HIS  70           HD1      HIS  70 -11.968   2.267  13.052
  593    HD2  HIS  70           HD2      HIS  70 -12.265   2.331   8.894
  594    HE1  HIS  70           HE1      HIS  70 -12.085  -0.150  12.305
  595    H    ALA  71           H        ALA  71  -9.953   2.687  12.560
  596    HA   ALA  71           HA       ALA  71 -10.399   3.373  15.309
  597   1HB   ALA  71          1HB       ALA  71  -9.927   1.180  15.694
  598   2HB   ALA  71          2HB       ALA  71  -8.415   1.261  14.789
  599   3HB   ALA  71          3HB       ALA  71  -9.940   1.017  13.938
  600    H    GLY  72           H        GLY  72  -7.805   2.384  16.311
  601   1HA   GLY  72          2HA       GLY  72  -6.246   4.830  15.782
  602   2HA   GLY  72          1HA       GLY  72  -6.193   3.894  17.279
  603    H    ASP  73           H        ASP  73  -5.957   3.125  13.904
  604    HA   ASP  73           HA       ASP  73  -3.366   1.787  14.471
  605   1HB   ASP  73          2HB       ASP  73  -5.802   0.753  13.082
  606   2HB   ASP  73          1HB       ASP  73  -4.219   0.225  12.508
  607    H    THR  74           H        THR  74  -1.793   2.116  13.015
  608    HA   THR  74           HA       THR  74  -2.483   3.895  10.759
  609    HB   THR  74           HB       THR  74   0.362   3.532  11.500
  610    HG1  THR  74           HG1      THR  74  -0.201   5.275  13.161
  611   1HG2  THR  74          1HG2      THR  74  -0.028   5.147   9.842
  612   2HG2  THR  74          2HG2      THR  74   0.108   6.119  11.308
  613   3HG2  THR  74          3HG2      THR  74  -1.482   5.749  10.640
  614    H    THR  75           H        THR  75  -1.325   3.489   8.722
  615    HA   THR  75           HA       THR  75  -0.423   0.704   8.480
  616    HB   THR  75           HB       THR  75  -1.832   2.116   6.233
  617    HG1  THR  75           HG1      THR  75  -3.681   0.750   7.251
  618   1HG2  THR  75          1HG2      THR  75  -1.768  -0.782   7.113
  619   2HG2  THR  75          2HG2      THR  75  -0.654  -0.074   5.943
  620   3HG2  THR  75          3HG2      THR  75  -2.378  -0.159   5.580
  621    H    ASN  76           H        ASN  76   1.806   1.136   8.189
  622    HA   ASN  76           HA       ASN  76   2.434   3.407   6.409
  623   1HB   ASN  76          2HB       ASN  76   4.270   2.049   8.400
  624   2HB   ASN  76          1HB       ASN  76   4.548   3.568   7.547
  625   1HD2  ASN  76          1HD2      ASN  76   4.406   5.194   9.110
  626   2HD2  ASN  76          2HD2      ASN  76   3.154   5.334  10.248
  627    H    PHE  77           H        PHE  77   3.698   2.961   4.604
  628    HA   PHE  77           HA       PHE  77   4.902   0.315   4.450
  629   1HB   PHE  77          2HB       PHE  77   2.343   0.862   3.295
  630   2HB   PHE  77          1HB       PHE  77   3.506   0.541   2.009
  631    HD1  PHE  77           HD1      PHE  77   5.395  -1.230   3.271
  632    HD2  PHE  77           HD2      PHE  77   1.116  -1.171   3.616
  633    HE1  PHE  77           HE1      PHE  77   5.409  -3.635   3.819
  634    HE2  PHE  77           HE2      PHE  77   1.128  -3.582   4.151
  635    HZ   PHE  77           HZ       PHE  77   3.296  -4.798   4.244
  636    H    HIS  78           H        HIS  78   6.558   0.194   3.075
  637    HA   HIS  78           HA       HIS  78   7.156   2.575   1.410
  638   1HB   HIS  78          2HB       HIS  78   8.280   3.056   3.454
  639   2HB   HIS  78          1HB       HIS  78   8.857   1.408   3.622
  640    HD1  HIS  78           HD1      HIS  78  10.498   0.635   1.592
  641    HD2  HIS  78           HD2      HIS  78  10.164   4.733   2.219
  642    HE1  HIS  78           HE1      HIS  78  12.527   1.673   0.582
  643    H    PHE  79           H        PHE  79   8.977   2.264  -0.037
  644    HA   PHE  79           HA       PHE  79   9.767  -0.506  -0.650
  645   1HB   PHE  79          2HB       PHE  79   8.882   1.269  -2.872
  646   2HB   PHE  79          1HB       PHE  79   9.032  -0.468  -2.857
  647    HD1  PHE  79           HD1      PHE  79   7.009   2.155  -1.002
  648    HD2  PHE  79           HD2      PHE  79   7.084  -1.582  -3.111
  649    HE1  PHE  79           HE1      PHE  79   4.518   2.007  -0.843
  650    HE2  PHE  79           HE2      PHE  79   4.628  -1.757  -2.915
  651    HZ   PHE  79           HZ       PHE  79   3.347   0.024  -1.802
  652    H    SER  80           H        SER  80  11.966  -0.426  -1.780
  653    HA   SER  80           HA       SER  80  12.812   1.890  -3.110
  654   1HB   SER  80          2HB       SER  80  12.840   2.846  -0.804
  655   2HB   SER  80          1HB       SER  80  14.063   1.645  -0.394
  656    HG   SER  80           HG       SER  80  15.304   2.514  -2.152
  657    H    ASN  81           H        ASN  81  13.032  -0.918  -3.534
  658    HA   ASN  81           HA       ASN  81  15.390  -2.141  -2.824
  659   1HB   ASN  81          2HB       ASN  81  13.566  -2.316  -5.085
  660   2HB   ASN  81          1HB       ASN  81  15.229  -2.668  -5.548
  661   1HD2  ASN  81          1HD2      ASN  81  14.061  -3.234  -2.280
  662   2HD2  ASN  81          2HD2      ASN  81  14.124  -4.913  -2.375
  663    H    GLU  82           H        GLU  82  17.534  -2.087  -3.576
  664    HA   GLU  82           HA       GLU  82  18.779   0.288  -4.011
  665   1HB   GLU  82          2HB       GLU  82  19.602  -2.253  -5.436
  666   2HB   GLU  82          1HB       GLU  82  20.647  -0.937  -4.902
  667   1HG   GLU  82          2HG       GLU  82  19.264  -1.707  -2.595
  668   2HG   GLU  82          1HG       GLU  82  19.665  -3.226  -3.398
  669    H    SER  83           H        SER  83  17.595  -1.877  -6.616
  670    HA   SER  83           HA       SER  83  17.850   0.437  -8.430
  671   1HB   SER  83          2HB       SER  83  18.416  -2.395  -8.692
  672   2HB   SER  83          1HB       SER  83  17.298  -1.849  -9.938
  673    HG   SER  83           HG       SER  83  18.773  -0.236 -10.484
  674    H    THR  84           H        THR  84  15.504  -1.289  -6.658
  675    HA   THR  84           HA       THR  84  13.495  -0.611  -8.726
  676    HB   THR  84           HB       THR  84  13.869  -2.899  -6.912
  677    HG1  THR  84           HG1      THR  84  13.632  -2.726  -9.292
  678   1HG2  THR  84          1HG2      THR  84  11.516  -3.307  -6.452
  679   2HG2  THR  84          2HG2      THR  84  11.067  -1.797  -7.244
  680   3HG2  THR  84          3HG2      THR  84  11.973  -1.765  -5.733
  681    H    ALA  85           H        ALA  85  14.814   1.185  -6.748
  682    HA   ALA  85           HA       ALA  85  12.515   1.851  -5.031
  683   1HB   ALA  85          1HB       ALA  85  15.023   1.870  -4.213
  684   2HB   ALA  85          2HB       ALA  85  13.963   3.195  -3.745
  685   3HB   ALA  85          3HB       ALA  85  15.101   3.402  -5.074
  686    H    VAL  86           H        VAL  86  11.622   2.276  -7.415
  687    HA   VAL  86           HA       VAL  86  11.820   5.166  -7.753
  688    HB   VAL  86           HB       VAL  86  12.122   3.654 -10.290
  689   1HG1  VAL  86          1HG1      VAL  86  12.063   6.272  -9.647
  690   2HG1  VAL  86          2HG1      VAL  86  12.969   5.655 -11.028
  691   3HG1  VAL  86          3HG1      VAL  86  13.797   5.985  -9.507
  692   1HG2  VAL  86          1HG2      VAL  86  13.742   2.578  -8.660
  693   2HG2  VAL  86          2HG2      VAL  86  14.493   4.162  -8.468
  694   3HG2  VAL  86          3HG2      VAL  86  14.507   3.364 -10.041
  695    H    LYS  87           H        LYS  87  10.662   5.092 -10.393
  696    HA   LYS  87           HA       LYS  87   8.041   5.464 -10.012
  697   1HB   LYS  87          2HB       LYS  87   9.366   5.644 -12.175
  698   2HB   LYS  87          1HB       LYS  87   9.045   3.925 -12.406
  699   1HG   LYS  87          2HG       LYS  87   6.572   5.124 -11.703
  700   2HG   LYS  87          1HG       LYS  87   7.307   6.158 -12.929
  701   1HD   LYS  87          2HD       LYS  87   6.894   3.161 -13.155
  702   2HD   LYS  87          1HD       LYS  87   5.957   4.399 -13.994
  703   1HE   LYS  87          2HE       LYS  87   7.508   4.530 -15.618
  704   2HE   LYS  87          1HE       LYS  87   8.767   4.866 -14.429
  705   1HZ   LYS  87          1HZ       LYS  87   9.199   2.847 -15.622
  706   2HZ   LYS  87          2HZ       LYS  87   7.806   2.210 -15.159
  707   3HZ   LYS  87          3HZ       LYS  87   8.945   2.512 -14.077
  708    H    GLU  88           H        GLU  88   9.562   2.253 -10.170
  709    HA   GLU  88           HA       GLU  88   7.370   0.659 -10.643
  710   1HB   GLU  88          2HB       GLU  88   8.524  -0.801  -8.735
  711   2HB   GLU  88          1HB       GLU  88   9.321  -0.564 -10.277
  712   1HG   GLU  88          2HG       GLU  88   9.947   1.615  -8.479
  713   2HG   GLU  88          1HG       GLU  88  10.361   0.061  -7.765
  714    H    ARG  89           H        ARG  89   8.440   1.148  -7.335
  715    HA   ARG  89           HA       ARG  89   5.849   0.712  -6.267
  716   1HB   ARG  89          2HB       ARG  89   7.768   2.246  -4.642
  717   2HB   ARG  89          1HB       ARG  89   6.835   0.832  -4.227
  718   1HG   ARG  89          2HG       ARG  89   9.163   0.618  -6.139
  719   2HG   ARG  89          1HG       ARG  89   9.421   0.549  -4.419
  720   1HD   ARG  89          2HD       ARG  89   8.573  -1.540  -4.257
  721   2HD   ARG  89          1HD       ARG  89   7.216  -1.154  -5.315
  722    HE   ARG  89           HE       ARG  89   9.304  -1.272  -7.034
  723   1HH1  ARG  89          1HH2      ARG  89   8.177  -3.313  -4.488
  724   2HH1  ARG  89          2HH2      ARG  89   8.621  -4.777  -5.293
  725   1HH2  ARG  89          1HH1      ARG  89   9.890  -3.177  -8.090
  726   2HH2  ARG  89          2HH1      ARG  89   9.591  -4.702  -7.325
  727    H    ASP  90           H        ASP  90   7.756   3.495  -7.148
  728    HA   ASP  90           HA       ASP  90   6.153   5.551  -6.111
  729   1HB   ASP  90          2HB       ASP  90   8.258   5.330  -8.051
  730   2HB   ASP  90          1HB       ASP  90   6.970   6.327  -8.726
  731    H    ALA  91           H        ALA  91   5.375   3.126  -8.379
  732    HA   ALA  91           HA       ALA  91   3.170   4.694  -9.518
  733   1HB   ALA  91          1HB       ALA  91   2.913   2.887 -11.086
  734   2HB   ALA  91          2HB       ALA  91   3.958   1.831 -10.135
  735   3HB   ALA  91          3HB       ALA  91   4.645   3.209 -10.996
  736    H    VAL  92           H        VAL  92   4.104   2.103  -7.379
  737    HA   VAL  92           HA       VAL  92   1.476   1.035  -6.844
  738    HB   VAL  92           HB       VAL  92   4.074   1.176  -5.289
  739   1HG1  VAL  92          1HG1      VAL  92   2.892   1.389  -3.356
  740   2HG1  VAL  92          2HG1      VAL  92   2.448  -0.297  -3.639
  741   3HG1  VAL  92          3HG1      VAL  92   1.361   0.996  -4.140
  742   1HG2  VAL  92          1HG2      VAL  92   2.246  -0.992  -6.301
  743   2HG2  VAL  92          2HG2      VAL  92   3.483  -1.313  -5.080
  744   3HG2  VAL  92          3HG2      VAL  92   3.949  -0.720  -6.682
  745    H    LYS  93           H        LYS  93   3.497   3.525  -5.328
  746    HA   LYS  93           HA       LYS  93   1.553   4.547  -3.553
  747   1HB   LYS  93          2HB       LYS  93   3.612   5.452  -3.079
  748   2HB   LYS  93          1HB       LYS  93   4.138   5.389  -4.757
  749   1HG   LYS  93          2HG       LYS  93   2.470   7.357  -5.130
  750   2HG   LYS  93          1HG       LYS  93   2.523   7.527  -3.375
  751   1HD   LYS  93          2HD       LYS  93   5.072   7.542  -3.594
  752   2HD   LYS  93          1HD       LYS  93   4.821   7.729  -5.331
  753   1HE   LYS  93          2HE       LYS  93   3.854   9.601  -3.153
  754   2HE   LYS  93          1HE       LYS  93   5.092   9.937  -4.363
  755   1HZ   LYS  93          1HZ       LYS  93   3.109  10.857  -5.132
  756   2HZ   LYS  93          2HZ       LYS  93   2.244   9.548  -4.818
  757   3HZ   LYS  93          3HZ       LYS  93   3.311   9.535  -6.011
  758    H    ASP  94           H        ASP  94   2.516   5.433  -6.884
  759    HA   ASP  94           HA       ASP  94   0.710   7.442  -7.458
  760   1HB   ASP  94          2HB       ASP  94   2.519   6.364  -8.958
  761   2HB   ASP  94          1HB       ASP  94   1.262   5.213  -9.413
  762    H    LEU  95           H        LEU  95   0.054   4.083  -6.846
  763    HA   LEU  95           HA       LEU  95  -2.621   4.260  -8.022
  764   1HB   LEU  95          2HB       LEU  95  -0.895   2.126  -6.835
  765   2HB   LEU  95          1HB       LEU  95  -2.644   1.914  -6.730
  766    HG   LEU  95           HG       LEU  95  -2.675   2.508  -9.218
  767   1HD1  LEU  95          1HD1      LEU  95  -0.370   3.375  -9.311
  768   2HD1  LEU  95          2HD1      LEU  95  -0.627   2.064 -10.462
  769   3HD1  LEU  95          3HD1      LEU  95   0.235   1.756  -8.954
  770   1HD2  LEU  95          1HD2      LEU  95  -1.225  -0.058  -8.573
  771   2HD2  LEU  95          2HD2      LEU  95  -2.429   0.220  -9.831
  772   3HD2  LEU  95          3HD2      LEU  95  -2.914   0.190  -8.136
  773    H    LEU  96           H        LEU  96  -1.092   3.763  -4.879
  774    HA   LEU  96           HA       LEU  96  -3.075   3.607  -3.082
  775   1HB   LEU  96          2HB       LEU  96  -0.747   5.551  -3.006
  776   2HB   LEU  96          1HB       LEU  96  -1.632   4.978  -1.607
  777    HG   LEU  96           HG       LEU  96   0.113   3.387  -3.491
  778   1HD1  LEU  96          1HD1      LEU  96   0.631   2.739  -0.833
  779   2HD1  LEU  96          2HD1      LEU  96   0.359   4.482  -0.816
  780   3HD1  LEU  96          3HD1      LEU  96   1.600   3.792  -1.862
  781   1HD2  LEU  96          1HD2      LEU  96  -1.799   2.356  -1.369
  782   2HD2  LEU  96          2HD2      LEU  96  -0.612   1.372  -2.225
  783   3HD2  LEU  96          3HD2      LEU  96  -1.952   2.105  -3.108
  784    H    GLN  97           H        GLN  97  -1.806   6.806  -3.889
  785    HA   GLN  97           HA       GLN  97  -4.067   8.190  -2.841
  786   1HB   GLN  97          2HB       GLN  97  -2.543   9.513  -5.033
  787   2HB   GLN  97          1HB       GLN  97  -3.061  10.158  -3.484
  788   1HG   GLN  97          2HG       GLN  97  -0.810   9.969  -3.056
  789   2HG   GLN  97          1HG       GLN  97  -1.308   8.337  -2.593
  790   1HE2  GLN  97          1HE2      GLN  97  -1.960   7.726  -5.470
  791   2HE2  GLN  97          2HE2      GLN  97  -0.471   7.375  -6.153
  792    H    GLN  98           H        GLN  98  -4.033   6.224  -5.496
  793    HA   GLN  98           HA       GLN  98  -5.835   7.883  -7.083
  794   1HB   GLN  98          2HB       GLN  98  -3.950   6.067  -7.845
  795   2HB   GLN  98          1HB       GLN  98  -5.395   5.054  -7.828
  796   1HG   GLN  98          2HG       GLN  98  -6.212   7.458  -9.018
  797   2HG   GLN  98          1HG       GLN  98  -4.631   7.114  -9.724
  798   1HE2  GLN  98          1HE2      GLN  98  -4.586   5.566 -11.372
  799   2HE2  GLN  98          2HE2      GLN  98  -5.854   4.495 -11.725
  800    H    LEU  99           H        LEU  99  -5.780   4.938  -5.099
  801    HA   LEU  99           HA       LEU  99  -8.648   4.535  -5.503
  802   1HB   LEU  99          2HB       LEU  99  -7.455   3.099  -3.250
  803   2HB   LEU  99          1HB       LEU  99  -8.294   2.460  -4.645
  804    HG   LEU  99           HG       LEU  99  -5.968   3.219  -5.807
  805   1HD1  LEU  99          1HD1      LEU  99  -4.447   2.045  -3.848
  806   2HD1  LEU  99          2HD1      LEU  99  -5.581   3.016  -2.900
  807   3HD1  LEU  99          3HD1      LEU  99  -4.573   3.777  -4.128
  808   1HD2  LEU  99          1HD2      LEU  99  -7.195   0.763  -4.861
  809   2HD2  LEU  99          2HD2      LEU  99  -5.437   0.661  -4.765
  810   3HD2  LEU  99          3HD2      LEU  99  -6.216   1.027  -6.304
  811    H    LEU 100           H        LEU 100  -6.466   5.978  -3.202
  812    HA   LEU 100           HA       LEU 100  -7.909   6.067  -0.902
  813   1HB   LEU 100          2HB       LEU 100  -6.051   8.011  -2.222
  814   2HB   LEU 100          1HB       LEU 100  -6.926   8.531  -0.781
  815    HG   LEU 100           HG       LEU 100  -5.140   6.091  -1.023
  816   1HD1  LEU 100          1HD1      LEU 100  -3.891   7.401   0.805
  817   2HD1  LEU 100          2HD1      LEU 100  -4.855   8.791   0.304
  818   3HD1  LEU 100          3HD1      LEU 100  -3.761   8.018  -0.843
  819   1HD2  LEU 100          1HD2      LEU 100  -6.350   5.288   0.705
  820   2HD2  LEU 100          2HD2      LEU 100  -7.264   6.790   0.842
  821   3HD2  LEU 100          3HD2      LEU 100  -5.713   6.623   1.666
  822    HA   PRO 101           HA       PRO 101 -10.450   9.622  -2.907
  823   1HB   PRO 101          2HB       PRO 101 -10.196   8.823  -5.750
  824   2HB   PRO 101          1HB       PRO 101 -10.182  10.448  -5.046
  825   1HG   PRO 101          2HG       PRO 101  -7.948   9.097  -5.968
  826   2HG   PRO 101          1HG       PRO 101  -7.900  10.410  -4.780
  827   1HD   PRO 101          2HD       PRO 101  -7.359   7.588  -4.375
  828   2HD   PRO 101          1HD       PRO 101  -7.153   8.934  -3.244
  829    H    LYS 102           H        LYS 102 -10.457   6.323  -3.336
  830    HA   LYS 102           HA       LYS 102 -13.046   6.062  -4.629
  831   1HB   LYS 102          2HB       LYS 102 -11.277   4.414  -5.023
  832   2HB   LYS 102          1HB       LYS 102 -11.201   4.078  -3.291
  833   1HG   LYS 102          2HG       LYS 102 -12.889   2.624  -3.436
  834   2HG   LYS 102          1HG       LYS 102 -13.921   3.831  -4.209
  835   1HD   LYS 102          2HD       LYS 102 -12.576   3.322  -6.357
  836   2HD   LYS 102          1HD       LYS 102 -12.022   1.879  -5.508
  837   1HE   LYS 102          2HE       LYS 102 -14.481   1.358  -5.064
  838   2HE   LYS 102          1HE       LYS 102 -14.863   2.629  -6.225
  839   1HZ   LYS 102          1HZ       LYS 102 -13.281   0.237  -6.755
  840   2HZ   LYS 102          2HZ       LYS 102 -13.497   1.422  -7.809
  841   3HZ   LYS 102          3HZ       LYS 102 -14.745   0.547  -7.323
  842    H    PHE 103           H        PHE 103 -11.692   5.579  -1.385
  843    HA   PHE 103           HA       PHE 103 -14.420   5.062  -0.403
  844   1HB   PHE 103          2HB       PHE 103 -12.778   4.604   1.754
  845   2HB   PHE 103          1HB       PHE 103 -13.271   3.358   0.608
  846    HD1  PHE 103           HD1      PHE 103 -11.836   2.973  -1.453
  847    HD2  PHE 103           HD2      PHE 103 -10.502   5.271   1.918
  848    HE1  PHE 103           HE1      PHE 103  -9.508   2.776  -2.252
  849    HE2  PHE 103           HE2      PHE 103  -8.160   5.064   1.134
  850    HZ   PHE 103           HZ       PHE 103  -7.657   3.820  -0.956
  851    H    LYS 104           H        LYS 104 -12.486   7.642  -0.862
  852    HA   LYS 104           HA       LYS 104 -13.886   9.173   1.140
  853   1HB   LYS 104          2HB       LYS 104 -11.332  10.048   1.703
  854   2HB   LYS 104          1HB       LYS 104 -12.300   9.008   2.736
  855   1HG   LYS 104          2HG       LYS 104 -11.171   7.204   0.948
  856   2HG   LYS 104          1HG       LYS 104  -9.886   8.380   1.195
  857   1HD   LYS 104          2HD       LYS 104  -9.640   6.707   2.898
  858   2HD   LYS 104          1HD       LYS 104 -10.291   8.146   3.679
  859   1HE   LYS 104          2HE       LYS 104 -12.237   6.162   2.593
  860   2HE   LYS 104          1HE       LYS 104 -11.380   5.738   4.073
  861   1HZ   LYS 104          1HZ       LYS 104 -12.872   6.991   5.068
  862   2HZ   LYS 104          2HZ       LYS 104 -13.435   7.615   3.707
  863   3HZ   LYS 104          3HZ       LYS 104 -12.174   8.283   4.430
  864    H    ARG 105           H        ARG 105 -14.553  10.764  -0.212
  865    HA   ARG 105           HA       ARG 105 -12.469  12.103  -1.827
  866   1HB   ARG 105          2HB       ARG 105 -14.002  10.661  -3.222
  867   2HB   ARG 105          1HB       ARG 105 -15.343  11.675  -2.687
  868   1HG   ARG 105          2HG       ARG 105 -14.099  13.673  -3.572
  869   2HG   ARG 105          1HG       ARG 105 -12.904  12.566  -4.249
  870   1HD   ARG 105          2HD       ARG 105 -14.217  12.355  -6.065
  871   2HD   ARG 105          1HD       ARG 105 -15.414  11.557  -5.045
  872    HE   ARG 105           HE       ARG 105 -15.846  14.220  -4.602
  873   1HH1  ARG 105          1HH2      ARG 105 -15.591  12.150  -7.357
  874   2HH1  ARG 105          2HH2      ARG 105 -16.689  13.082  -8.318
  875   1HH2  ARG 105          1HH1      ARG 105 -17.277  15.441  -5.847
  876   2HH2  ARG 105          2HH1      ARG 105 -17.642  14.942  -7.465
  877    H    LYS 106           H        LYS 106 -15.907  12.538  -0.906
  878    HA   LYS 106           HA       LYS 106 -15.373  15.380  -0.480
  879   1HB   LYS 106          2HB       LYS 106 -17.959  13.839  -0.131
  880   2HB   LYS 106          1HB       LYS 106 -17.775  15.589  -0.259
  881   1HG   LYS 106          2HG       LYS 106 -16.798  15.253  -2.550
  882   2HG   LYS 106          1HG       LYS 106 -17.198  13.541  -2.416
  883   1HD   LYS 106          2HD       LYS 106 -19.098  14.332  -3.489
  884   2HD   LYS 106          1HD       LYS 106 -19.597  14.479  -1.803
  885   1HE   LYS 106          2HE       LYS 106 -18.328  16.864  -2.160
  886   2HE   LYS 106          1HE       LYS 106 -18.979  16.594  -3.777
  887   1HZ   LYS 106          1HZ       LYS 106 -21.049  16.788  -3.016
  888   2HZ   LYS 106          2HZ       LYS 106 -20.381  17.624  -1.826
  889   3HZ   LYS 106          3HZ       LYS 106 -20.761  16.085  -1.607
  890    H    ALA 107           H        ALA 107 -16.655  16.223   1.609
  891    HA   ALA 107           HA       ALA 107 -16.514  14.420   3.867
  892   1HB   ALA 107          1HB       ALA 107 -14.220  16.006   3.146
  893   2HB   ALA 107          2HB       ALA 107 -14.406  14.886   4.495
  894   3HB   ALA 107          3HB       ALA 107 -14.872  16.576   4.682
  895    H    ASN 108           H        ASN 108 -16.820  15.910   5.956
  896    HA   ASN 108           HA       ASN 108 -18.480  18.241   5.272
  897   1HB   ASN 108          2HB       ASN 108 -20.230  17.434   6.856
  898   2HB   ASN 108          1HB       ASN 108 -20.059  16.389   5.445
  899   1HD2  ASN 108          1HD2      ASN 108 -21.099  14.789   7.106
  900   2HD2  ASN 108          2HD2      ASN 108 -20.025  13.915   8.089
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -17.961 -10.456 -16.240
    2   2H    MET   1          2H        MET   1 -17.050 -11.763 -16.396
    3   3H    MET   1          3H        MET   1 -16.872 -10.812 -15.121
    4    HA   MET   1           HA       MET   1 -18.770 -11.493 -14.085
    5   1HB   MET   1          2HB       MET   1 -19.537 -12.127 -16.913
    6   2HB   MET   1          1HB       MET   1 -20.329 -13.007 -15.606
    7   1HG   MET   1          2HG       MET   1 -21.743 -11.194 -15.698
    8   2HG   MET   1          1HG       MET   1 -20.534 -10.528 -14.600
    9   1HE   MET   1          1HE       MET   1 -22.101  -9.223 -18.383
   10   2HE   MET   1          2HE       MET   1 -22.369  -8.314 -16.898
   11   3HE   MET   1          3HE       MET   1 -22.691 -10.045 -16.932
   12    H    ALA   2           H        ALA   2 -16.122 -12.694 -14.595
   13    HA   ALA   2           HA       ALA   2 -16.409 -15.487 -15.042
   14   1HB   ALA   2          1HB       ALA   2 -14.155 -15.495 -14.824
   15   2HB   ALA   2          2HB       ALA   2 -14.221 -14.689 -13.256
   16   3HB   ALA   2          3HB       ALA   2 -14.292 -13.739 -14.740
   17    H    THR   3           H        THR   3 -15.568 -13.875 -11.953
   18    HA   THR   3           HA       THR   3 -17.530 -15.589 -10.604
   19    HB   THR   3           HB       THR   3 -14.609 -15.493  -9.800
   20    HG1  THR   3           HG1      THR   3 -16.159 -17.558 -10.972
   21   1HG2  THR   3          1HG2      THR   3 -16.834 -15.951  -8.242
   22   2HG2  THR   3          2HG2      THR   3 -15.215 -16.558  -7.895
   23   3HG2  THR   3          3HG2      THR   3 -16.379 -17.582  -8.735
   24    H    SER   4           H        SER   4 -18.600 -14.333  -9.156
   25    HA   SER   4           HA       SER   4 -17.957 -11.637  -8.704
   26   1HB   SER   4          2HB       SER   4 -19.540 -11.953  -6.692
   27   2HB   SER   4          1HB       SER   4 -20.198 -12.275  -8.294
   28    HG   SER   4           HG       SER   4 -18.976 -14.313  -6.773
   29    H    SER   5           H        SER   5 -15.672 -11.687  -8.124
   30    HA   SER   5           HA       SER   5 -15.278 -12.452  -5.291
   31   1HB   SER   5          2HB       SER   5 -12.806 -12.410  -6.774
   32   2HB   SER   5          1HB       SER   5 -13.524 -13.735  -5.863
   33    HG   SER   5           HG       SER   5 -13.799 -13.048  -8.577
   34    H    GLU   6           H        GLU   6 -13.140 -11.236  -4.521
   35    HA   GLU   6           HA       GLU   6 -13.733  -8.468  -4.642
   36   1HB   GLU   6          2HB       GLU   6 -11.060  -9.618  -3.848
   37   2HB   GLU   6          1HB       GLU   6 -11.854  -8.168  -3.234
   38   1HG   GLU   6          2HG       GLU   6 -12.525  -9.517  -1.531
   39   2HG   GLU   6          1HG       GLU   6 -13.733 -10.077  -2.686
   40    H    GLU   7           H        GLU   7 -12.227  -6.797  -5.440
   41    HA   GLU   7           HA       GLU   7 -10.814  -7.699  -7.885
   42   1HB   GLU   7          2HB       GLU   7 -12.049  -4.966  -7.526
   43   2HB   GLU   7          1HB       GLU   7 -11.531  -5.744  -9.022
   44   1HG   GLU   7          2HG       GLU   7 -13.378  -7.536  -7.971
   45   2HG   GLU   7          1HG       GLU   7 -14.082  -5.959  -7.609
   46    H    VAL   8           H        VAL   8  -8.595  -7.552  -7.348
   47    HA   VAL   8           HA       VAL   8  -7.837  -5.374  -5.566
   48    HB   VAL   8           HB       VAL   8  -6.007  -6.660  -4.973
   49   1HG1  VAL   8          1HG1      VAL   8  -8.170  -7.922  -4.603
   50   2HG1  VAL   8          2HG1      VAL   8  -6.729  -8.935  -4.679
   51   3HG1  VAL   8          3HG1      VAL   8  -7.808  -8.833  -6.069
   52   1HG2  VAL   8          1HG2      VAL   8  -4.651  -7.125  -6.745
   53   2HG2  VAL   8          2HG2      VAL   8  -6.012  -7.371  -7.841
   54   3HG2  VAL   8          3HG2      VAL   8  -5.494  -8.674  -6.772
   55    H    LEU   9           H        LEU   9  -6.035  -4.043  -6.107
   56    HA   LEU   9           HA       LEU   9  -6.037  -3.459  -8.984
   57   1HB   LEU   9          2HB       LEU   9  -6.607  -1.625  -7.497
   58   2HB   LEU   9          1HB       LEU   9  -5.085  -1.823  -6.628
   59    HG   LEU   9           HG       LEU   9  -3.800  -1.130  -8.507
   60   1HD1  LEU   9          1HD1      LEU   9  -6.291  -1.826  -9.994
   61   2HD1  LEU   9          2HD1      LEU   9  -4.606  -2.121 -10.424
   62   3HD1  LEU   9          3HD1      LEU   9  -5.305  -0.517 -10.647
   63   1HD2  LEU   9          1HD2      LEU   9  -5.312   0.610  -7.271
   64   2HD2  LEU   9          2HD2      LEU   9  -6.215   0.649  -8.786
   65   3HD2  LEU   9          3HD2      LEU   9  -4.509   1.096  -8.764
   66    H    LEU  10           H        LEU  10  -3.504  -4.061  -6.387
   67    HA   LEU  10           HA       LEU  10  -1.845  -5.168  -8.418
   68   1HB   LEU  10          2HB       LEU  10  -1.860  -2.566  -8.804
   69   2HB   LEU  10          1HB       LEU  10  -0.706  -2.574  -7.474
   70    HG   LEU  10           HG       LEU  10   0.082  -4.683  -9.160
   71   1HD1  LEU  10          1HD1      LEU  10  -1.189  -2.475 -10.638
   72   2HD1  LEU  10          2HD1      LEU  10  -0.783  -4.104 -11.178
   73   3HD1  LEU  10          3HD1      LEU  10   0.451  -2.844 -11.172
   74   1HD2  LEU  10          1HD2      LEU  10   1.071  -2.079  -8.209
   75   2HD2  LEU  10          2HD2      LEU  10   1.776  -2.585  -9.744
   76   3HD2  LEU  10          3HD2      LEU  10   1.912  -3.625  -8.327
   77    H    ILE  11           H        ILE  11   0.251  -5.752  -7.641
   78    HA   ILE  11           HA       ILE  11   0.644  -5.470  -4.741
   79    HB   ILE  11           HB       ILE  11  -0.428  -7.553  -4.734
   80   1HG1  ILE  11          2HG1      ILE  11   2.052  -7.479  -3.868
   81   2HG1  ILE  11          1HG1      ILE  11   1.235  -9.027  -3.989
   82   1HG2  ILE  11          1HG2      ILE  11   1.046  -8.087  -7.323
   83   2HG2  ILE  11          2HG2      ILE  11  -0.694  -7.915  -7.091
   84   3HG2  ILE  11          3HG2      ILE  11   0.146  -9.328  -6.451
   85   1HD1  ILE  11          1HD1      ILE  11   2.561  -8.235  -6.482
   86   2HD1  ILE  11          2HD1      ILE  11   2.641  -9.764  -5.607
   87   3HD1  ILE  11          3HD1      ILE  11   3.678  -8.420  -5.131
   88    H    VAL  12           H        VAL  12   2.799  -5.431  -4.151
   89    HA   VAL  12           HA       VAL  12   4.765  -5.894  -6.313
   90    HB   VAL  12           HB       VAL  12   6.119  -4.121  -4.915
   91   1HG1  VAL  12          1HG1      VAL  12   5.399  -2.409  -6.434
   92   2HG1  VAL  12          2HG1      VAL  12   3.814  -3.159  -6.625
   93   3HG1  VAL  12          3HG1      VAL  12   5.245  -3.941  -7.295
   94   1HG2  VAL  12          1HG2      VAL  12   4.456  -2.334  -4.126
   95   2HG2  VAL  12          2HG2      VAL  12   4.645  -3.748  -3.090
   96   3HG2  VAL  12          3HG2      VAL  12   3.240  -3.611  -4.150
   97    H    LYS  13           H        LYS  13   6.210  -7.448  -5.712
   98    HA   LYS  13           HA       LYS  13   5.919  -8.727  -3.197
   99   1HB   LYS  13          2HB       LYS  13   6.849  -9.926  -5.108
  100   2HB   LYS  13          1HB       LYS  13   8.219  -8.816  -5.161
  101   1HG   LYS  13          2HG       LYS  13   8.539  -9.557  -2.652
  102   2HG   LYS  13          1HG       LYS  13   7.599 -10.962  -3.157
  103   1HD   LYS  13          2HD       LYS  13   9.270 -11.027  -5.173
  104   2HD   LYS  13          1HD       LYS  13  10.295 -10.048  -4.123
  105   1HE   LYS  13          2HE       LYS  13  10.076 -11.776  -2.345
  106   2HE   LYS  13          1HE       LYS  13   9.134 -12.769  -3.456
  107   1HZ   LYS  13          1HZ       LYS  13  11.177 -13.541  -3.891
  108   2HZ   LYS  13          2HZ       LYS  13  11.941 -12.194  -3.487
  109   3HZ   LYS  13          3HZ       LYS  13  11.227 -12.310  -4.914
  110    H    LYS  14           H        LYS  14   9.088  -7.504  -4.094
  111    HA   LYS  14           HA       LYS  14   9.932  -7.091  -1.576
  112   1HB   LYS  14          2HB       LYS  14  10.772  -6.223  -4.186
  113   2HB   LYS  14          1HB       LYS  14  11.004  -4.915  -3.026
  114   1HG   LYS  14          2HG       LYS  14  12.973  -6.453  -3.166
  115   2HG   LYS  14          1HG       LYS  14  12.270  -6.375  -1.550
  116   1HD   LYS  14          2HD       LYS  14  11.288  -8.496  -1.733
  117   2HD   LYS  14          1HD       LYS  14  11.353  -8.479  -3.496
  118   1HE   LYS  14          2HE       LYS  14  13.703  -8.745  -1.601
  119   2HE   LYS  14          1HE       LYS  14  13.071  -9.990  -2.679
  120   1HZ   LYS  14          1HZ       LYS  14  13.559  -7.864  -4.257
  121   2HZ   LYS  14          2HZ       LYS  14  14.472  -9.173  -4.145
  122   3HZ   LYS  14          3HZ       LYS  14  14.819  -7.880  -3.269
  123    H    VAL  15           H        VAL  15   9.389  -5.887   0.039
  124    HA   VAL  15           HA       VAL  15   8.741  -3.114  -0.386
  125    HB   VAL  15           HB       VAL  15   6.564  -4.899   0.673
  126   1HG1  VAL  15          1HG1      VAL  15   5.487  -2.994   1.643
  127   2HG1  VAL  15          2HG1      VAL  15   6.705  -1.897   0.999
  128   3HG1  VAL  15          3HG1      VAL  15   7.123  -3.008   2.303
  129   1HG2  VAL  15          1HG2      VAL  15   7.103  -3.137  -1.585
  130   2HG2  VAL  15          2HG2      VAL  15   5.563  -2.819  -0.801
  131   3HG2  VAL  15          3HG2      VAL  15   5.916  -4.427  -1.437
  132    H    ARG  16           H        ARG  16   9.115  -1.871   1.413
  133    HA   ARG  16           HA       ARG  16  10.363  -3.324   3.671
  134   1HB   ARG  16          2HB       ARG  16  12.023  -2.206   2.203
  135   2HB   ARG  16          1HB       ARG  16  11.149  -0.695   2.368
  136   1HG   ARG  16          2HG       ARG  16  12.778  -0.439   4.003
  137   2HG   ARG  16          1HG       ARG  16  11.455  -1.127   4.942
  138   1HD   ARG  16          2HD       ARG  16  13.615  -2.250   5.418
  139   2HD   ARG  16          1HD       ARG  16  12.432  -3.362   4.726
  140    HE   ARG  16           HE       ARG  16  13.764  -2.506   2.534
  141   1HH1  ARG  16          1HH2      ARG  16  14.715  -3.704   5.638
  142   2HH1  ARG  16          2HH2      ARG  16  16.153  -4.459   5.042
  143   1HH2  ARG  16          1HH1      ARG  16  15.633  -3.491   1.757
  144   2HH2  ARG  16          2HH1      ARG  16  16.671  -4.341   2.852
  145    H    GLN  17           H        GLN  17   9.664  -2.706   5.612
  146    HA   GLN  17           HA       GLN  17   8.282  -0.138   5.791
  147   1HB   GLN  17          2HB       GLN  17   6.469  -1.305   7.140
  148   2HB   GLN  17          1HB       GLN  17   6.465  -1.666   5.423
  149   1HG   GLN  17          2HG       GLN  17   7.518  -3.772   5.741
  150   2HG   GLN  17          1HG       GLN  17   7.850  -3.414   7.424
  151   1HE2  GLN  17          1HE2      GLN  17   4.820  -2.130   6.938
  152   2HE2  GLN  17          2HE2      GLN  17   3.880  -3.471   7.371
  153    H    LYS  18           H        LYS  18   8.879   0.870   7.604
  154    HA   LYS  18           HA       LYS  18  11.106   0.478   8.945
  155   1HB   LYS  18          2HB       LYS  18   8.508   1.453  10.124
  156   2HB   LYS  18          1HB       LYS  18  10.025   1.510  11.022
  157   1HG   LYS  18          2HG       LYS  18  11.017   3.005   9.484
  158   2HG   LYS  18          1HG       LYS  18   9.819   2.655   8.239
  159   1HD   LYS  18          2HD       LYS  18   8.736   4.502   8.952
  160   2HD   LYS  18          1HD       LYS  18   8.291   3.562  10.377
  161   1HE   LYS  18          2HE       LYS  18   9.369   5.225  11.505
  162   2HE   LYS  18          1HE       LYS  18  10.818   4.328  11.050
  163   1HZ   LYS  18          1HZ       LYS  18  11.071   6.559  10.391
  164   2HZ   LYS  18          2HZ       LYS  18   9.663   6.596   9.631
  165   3HZ   LYS  18          3HZ       LYS  18  10.862   5.710   9.049
  166    H    LYS  19           H        LYS  19   8.322  -1.602   9.486
  167    HA   LYS  19           HA       LYS  19   9.507  -2.706  11.890
  168   1HB   LYS  19          2HB       LYS  19   7.615  -4.231  11.880
  169   2HB   LYS  19          1HB       LYS  19   7.017  -2.616  11.526
  170   1HG   LYS  19          2HG       LYS  19   7.049  -3.204   9.063
  171   2HG   LYS  19          1HG       LYS  19   7.494  -4.854   9.501
  172   1HD   LYS  19          2HD       LYS  19   4.928  -3.389  10.114
  173   2HD   LYS  19          1HD       LYS  19   5.147  -4.904   9.233
  174   1HE   LYS  19          2HE       LYS  19   4.604  -5.854  11.236
  175   2HE   LYS  19          1HE       LYS  19   6.297  -5.544  11.619
  176   1HZ   LYS  19          1HZ       LYS  19   4.092  -3.729  12.211
  177   2HZ   LYS  19          2HZ       LYS  19   5.627  -3.480  12.587
  178   3HZ   LYS  19          3HZ       LYS  19   4.816  -4.670  13.285
  179    H    GLN  20           H        GLN  20   8.829  -3.869   8.640
  180    HA   GLN  20           HA       GLN  20  11.170  -5.601   8.673
  181   1HB   GLN  20          2HB       GLN  20   8.637  -6.547   9.380
  182   2HB   GLN  20          1HB       GLN  20   8.854  -7.033   7.697
  183   1HG   GLN  20          2HG       GLN  20  11.326  -7.456   9.028
  184   2HG   GLN  20          1HG       GLN  20  10.056  -8.162  10.032
  185   1HE2  GLN  20          1HE2      GLN  20   8.868  -9.981   9.180
  186   2HE2  GLN  20          2HE2      GLN  20   9.319 -10.765   7.744
  187    H    ASP  21           H        ASP  21  11.384  -6.741   6.508
  188    HA   ASP  21           HA       ASP  21  10.344  -4.964   4.387
  189   1HB   ASP  21          2HB       ASP  21  12.380  -7.006   3.681
  190   2HB   ASP  21          1HB       ASP  21  12.315  -5.306   3.194
  191    H    GLY  22           H        GLY  22   8.925  -5.993   3.075
  192   1HA   GLY  22          2HA       GLY  22   8.624  -8.848   3.063
  193   2HA   GLY  22          1HA       GLY  22   7.391  -8.017   3.985
  194    H    ALA  23           H        ALA  23   6.698  -9.416   1.631
  195    HA   ALA  23           HA       ALA  23   6.558  -7.446  -0.399
  196   1HB   ALA  23          1HB       ALA  23   5.987 -10.304  -0.142
  197   2HB   ALA  23          2HB       ALA  23   6.579  -9.404  -1.538
  198   3HB   ALA  23          3HB       ALA  23   4.851  -9.449  -1.185
  199    H    LEU  24           H        LEU  24   5.023  -6.259  -0.950
  200    HA   LEU  24           HA       LEU  24   2.639  -6.106   0.822
  201   1HB   LEU  24          2HB       LEU  24   4.447  -4.182  -0.235
  202   2HB   LEU  24          1HB       LEU  24   2.848  -3.795  -0.833
  203    HG   LEU  24           HG       LEU  24   3.793  -4.051   2.016
  204   1HD1  LEU  24          1HD1      LEU  24   2.892  -1.930   0.137
  205   2HD1  LEU  24          2HD1      LEU  24   4.040  -1.832   1.468
  206   3HD1  LEU  24          3HD1      LEU  24   2.306  -1.782   1.790
  207   1HD2  LEU  24          1HD2      LEU  24   1.011  -4.209   0.866
  208   2HD2  LEU  24          2HD2      LEU  24   1.277  -3.487   2.453
  209   3HD2  LEU  24          3HD2      LEU  24   1.729  -5.167   2.162
  210    H    TYR  25           H        TYR  25   0.636  -6.331   0.059
  211    HA   TYR  25           HA       TYR  25   0.210  -6.641  -2.862
  212   1HB   TYR  25          2HB       TYR  25  -0.827  -8.024  -0.423
  213   2HB   TYR  25          1HB       TYR  25  -1.967  -7.762  -1.739
  214    HD1  TYR  25           HD1      TYR  25   1.294  -9.285  -0.848
  215    HD2  TYR  25           HD2      TYR  25  -1.860  -9.012  -3.737
  216    HE1  TYR  25           HE1      TYR  25   2.233 -11.242  -2.037
  217    HE2  TYR  25           HE2      TYR  25  -0.929 -10.981  -4.943
  218    HH   TYR  25           HH       TYR  25   0.498 -12.885  -4.520
  219    H    LEU  26           H        LEU  26  -1.479  -5.220  -3.743
  220    HA   LEU  26           HA       LEU  26  -2.780  -3.587  -1.667
  221   1HB   LEU  26          2HB       LEU  26  -1.342  -2.890  -4.116
  222   2HB   LEU  26          1HB       LEU  26  -2.975  -2.222  -4.083
  223    HG   LEU  26           HG       LEU  26  -2.573  -1.123  -1.988
  224   1HD1  LEU  26          1HD1      LEU  26  -1.343  -2.840  -0.824
  225   2HD1  LEU  26          2HD1      LEU  26  -0.329  -1.398  -0.856
  226   3HD1  LEU  26          3HD1      LEU  26  -0.006  -2.729  -1.966
  227   1HD2  LEU  26          1HD2      LEU  26  -0.461  -0.859  -4.096
  228   2HD2  LEU  26          2HD2      LEU  26  -0.243   0.022  -2.584
  229   3HD2  LEU  26          3HD2      LEU  26  -1.673   0.311  -3.575
  230    H    MET  27           H        MET  27  -4.980  -3.509  -1.757
  231    HA   MET  27           HA       MET  27  -6.272  -4.839  -4.043
  232   1HB   MET  27          2HB       MET  27  -6.193  -6.171  -1.823
  233   2HB   MET  27          1HB       MET  27  -7.312  -4.955  -1.209
  234   1HG   MET  27          2HG       MET  27  -9.027  -5.624  -2.605
  235   2HG   MET  27          1HG       MET  27  -7.928  -6.234  -3.837
  236   1HE   MET  27          1HE       MET  27  -6.010  -8.331  -1.495
  237   2HE   MET  27          2HE       MET  27  -6.132  -7.763  -3.158
  238   3HE   MET  27          3HE       MET  27  -6.598  -9.415  -2.764
  239    H    ALA  28           H        ALA  28  -8.177  -3.742  -4.734
  240    HA   ALA  28           HA       ALA  28  -8.353  -1.026  -4.489
  241   1HB   ALA  28          1HB       ALA  28 -10.395  -3.168  -4.985
  242   2HB   ALA  28          2HB       ALA  28  -9.844  -1.875  -6.055
  243   3HB   ALA  28          3HB       ALA  28 -10.957  -1.512  -4.736
  244    H    GLU  29           H        GLU  29 -10.351  -3.264  -2.605
  245    HA   GLU  29           HA       GLU  29 -11.059  -1.150  -0.809
  246   1HB   GLU  29          2HB       GLU  29 -12.721  -2.786  -1.321
  247   2HB   GLU  29          1HB       GLU  29 -11.658  -4.103  -0.826
  248   1HG   GLU  29          2HG       GLU  29 -12.065  -3.775   1.399
  249   2HG   GLU  29          1HG       GLU  29 -12.160  -2.022   1.229
  250    H    ARG  30           H        ARG  30  -8.252  -3.184  -0.722
  251    HA   ARG  30           HA       ARG  30  -7.771  -2.148   1.920
  252   1HB   ARG  30          2HB       ARG  30  -7.751  -4.147   3.164
  253   2HB   ARG  30          1HB       ARG  30  -9.255  -4.207   2.261
  254   1HG   ARG  30          2HG       ARG  30  -7.157  -5.359   0.677
  255   2HG   ARG  30          1HG       ARG  30  -7.149  -6.093   2.282
  256   1HD   ARG  30          2HD       ARG  30  -8.705  -7.392   1.037
  257   2HD   ARG  30          1HD       ARG  30  -9.699  -6.306   2.003
  258    HE   ARG  30           HE       ARG  30  -9.230  -4.965  -0.378
  259   1HH1  ARG  30          1HH2      ARG  30 -10.517  -8.010   0.641
  260   2HH1  ARG  30          2HH2      ARG  30 -11.634  -8.124  -0.676
  261   1HH2  ARG  30          1HH1      ARG  30 -10.707  -5.103  -2.093
  262   2HH2  ARG  30          2HH1      ARG  30 -11.738  -6.488  -2.221
  263    H    ILE  31           H        ILE  31  -5.689  -2.856   2.772
  264    HA   ILE  31           HA       ILE  31  -3.800  -3.424   0.552
  265    HB   ILE  31           HB       ILE  31  -3.742  -1.589   2.887
  266   1HG1  ILE  31          2HG1      ILE  31  -2.493  -1.725   0.133
  267   2HG1  ILE  31          1HG1      ILE  31  -3.803  -0.679   0.672
  268   1HG2  ILE  31          1HG2      ILE  31  -2.003  -3.263   3.536
  269   2HG2  ILE  31          2HG2      ILE  31  -1.307  -1.689   3.149
  270   3HG2  ILE  31          3HG2      ILE  31  -1.210  -3.007   1.981
  271   1HD1  ILE  31          1HD1      ILE  31  -2.192   0.362   2.309
  272   2HD1  ILE  31          2HD1      ILE  31  -1.785   0.647   0.617
  273   3HD1  ILE  31          3HD1      ILE  31  -0.906  -0.570   1.542
  274    H    ALA  32           H        ALA  32  -2.482  -5.232   0.734
  275    HA   ALA  32           HA       ALA  32  -2.724  -6.743   3.266
  276   1HB   ALA  32          1HB       ALA  32  -3.552  -7.491   0.688
  277   2HB   ALA  32          2HB       ALA  32  -3.448  -8.524   2.114
  278   3HB   ALA  32          3HB       ALA  32  -2.081  -8.410   1.006
  279    H    TRP  33           H        TRP  33  -0.943  -7.805   4.041
  280    HA   TRP  33           HA       TRP  33   1.584  -7.202   2.588
  281   1HB   TRP  33          2HB       TRP  33   1.299  -5.761   4.595
  282   2HB   TRP  33          1HB       TRP  33   1.250  -7.214   5.583
  283    HD1  TRP  33           HD1      TRP  33   3.547  -6.339   2.626
  284    HE1  TRP  33           HE1      TRP  33   5.970  -6.497   3.470
  285    HE3  TRP  33           HE3      TRP  33   2.835  -7.604   7.530
  286    HZ2  TRP  33           HZ2      TRP  33   7.440  -7.067   5.727
  287    HZ3  TRP  33           HZ3      TRP  33   4.796  -7.994   8.987
  288    HH2  TRP  33           HH2      TRP  33   7.105  -7.745   8.095
  289    H    ALA  34           H        ALA  34   3.114  -8.759   2.582
  290    HA   ALA  34           HA       ALA  34   2.778 -11.156   4.179
  291   1HB   ALA  34          1HB       ALA  34   1.718 -11.069   1.597
  292   2HB   ALA  34          2HB       ALA  34   1.993 -12.498   2.593
  293   3HB   ALA  34          3HB       ALA  34   3.231 -11.966   1.454
  294    HA   PRO  35           HA       PRO  35   7.116 -10.444   3.792
  295   1HB   PRO  35          2HB       PRO  35   7.672 -12.568   5.645
  296   2HB   PRO  35          1HB       PRO  35   7.746 -10.824   5.935
  297   1HG   PRO  35          2HG       PRO  35   5.779 -12.689   6.908
  298   2HG   PRO  35          1HG       PRO  35   5.861 -10.946   7.197
  299   1HD   PRO  35          2HD       PRO  35   4.005 -12.367   5.519
  300   2HD   PRO  35          1HD       PRO  35   4.098 -10.620   5.805
  301    H    GLU  36           H        GLU  36   5.726 -13.732   3.899
  302    HA   GLU  36           HA       GLU  36   7.459 -14.412   1.619
  303   1HB   GLU  36          2HB       GLU  36   7.837 -16.673   2.750
  304   2HB   GLU  36          1HB       GLU  36   8.722 -15.308   3.434
  305   1HG   GLU  36          2HG       GLU  36   6.799 -15.036   5.078
  306   2HG   GLU  36          1HG       GLU  36   6.197 -16.591   4.502
  307    H    GLY  37           H        GLY  37   6.724 -16.974   1.184
  308   1HA   GLY  37          2HA       GLY  37   3.978 -16.680   0.355
  309   2HA   GLY  37          1HA       GLY  37   5.008 -18.087   0.083
  310    H    LYS  38           H        LYS  38   5.610 -17.983   3.109
  311    HA   LYS  38           HA       LYS  38   3.655 -19.921   3.845
  312   1HB   LYS  38          2HB       LYS  38   6.017 -18.649   5.053
  313   2HB   LYS  38          1HB       LYS  38   4.761 -19.075   6.216
  314   1HG   LYS  38          2HG       LYS  38   6.229 -20.985   5.975
  315   2HG   LYS  38          1HG       LYS  38   4.696 -21.375   5.195
  316   1HD   LYS  38          2HD       LYS  38   5.593 -21.290   3.071
  317   2HD   LYS  38          1HD       LYS  38   6.810 -20.095   3.520
  318   1HE   LYS  38          2HE       LYS  38   8.194 -21.727   4.547
  319   2HE   LYS  38          1HE       LYS  38   6.894 -22.919   4.587
  320   1HZ   LYS  38          1HZ       LYS  38   8.695 -22.368   2.520
  321   2HZ   LYS  38          2HZ       LYS  38   7.191 -22.242   1.988
  322   3HZ   LYS  38          3HZ       LYS  38   7.686 -23.602   2.670
  323    H    ASP  39           H        ASP  39   3.483 -16.564   3.649
  324    HA   ASP  39           HA       ASP  39   1.018 -16.597   5.222
  325   1HB   ASP  39          2HB       ASP  39   3.489 -15.443   6.167
  326   2HB   ASP  39          1HB       ASP  39   2.296 -14.170   5.904
  327    H    ARG  40           H        ARG  40   1.324 -16.495   2.460
  328    HA   ARG  40           HA       ARG  40   1.637 -14.378   0.959
  329   1HB   ARG  40          2HB       ARG  40  -1.108 -15.592   0.940
  330   2HB   ARG  40          1HB       ARG  40  -0.169 -14.995  -0.422
  331   1HG   ARG  40          2HG       ARG  40   0.443 -17.155  -0.730
  332   2HG   ARG  40          1HG       ARG  40   1.513 -16.900   0.648
  333   1HD   ARG  40          2HD       ARG  40   0.291 -18.272   1.947
  334   2HD   ARG  40          1HD       ARG  40  -1.207 -17.449   1.522
  335    HE   ARG  40           HE       ARG  40  -0.414 -19.964   0.590
  336   1HH1  ARG  40          1HH2      ARG  40  -1.544 -16.941  -0.677
  337   2HH1  ARG  40          2HH2      ARG  40  -2.000 -17.619  -2.201
  338   1HH2  ARG  40          1HH1      ARG  40  -1.035 -20.839  -1.378
  339   2HH2  ARG  40          2HH1      ARG  40  -1.725 -19.815  -2.593
  340    H    PHE  41           H        PHE  41  -0.852 -14.490   3.365
  341    HA   PHE  41           HA       PHE  41  -1.220 -11.599   2.905
  342   1HB   PHE  41          2HB       PHE  41  -3.303 -13.716   3.421
  343   2HB   PHE  41          1HB       PHE  41  -3.615 -12.002   3.722
  344    HD1  PHE  41           HD1      PHE  41  -4.399 -14.292   1.417
  345    HD2  PHE  41           HD2      PHE  41  -2.161 -10.629   1.644
  346    HE1  PHE  41           HE1      PHE  41  -4.735 -13.940  -1.015
  347    HE2  PHE  41           HE2      PHE  41  -2.496 -10.275  -0.800
  348    HZ   PHE  41           HZ       PHE  41  -3.781 -11.938  -2.119
  349    H    THR  42           H        THR  42   0.465 -11.455   4.558
  350    HA   THR  42           HA       THR  42  -0.126 -12.320   7.238
  351    HB   THR  42           HB       THR  42   2.167 -11.551   5.866
  352    HG1  THR  42           HG1      THR  42   1.484 -12.039   8.528
  353   1HG2  THR  42          1HG2      THR  42   3.053  -9.651   7.266
  354   2HG2  THR  42          2HG2      THR  42   1.400  -9.350   7.797
  355   3HG2  THR  42          3HG2      THR  42   1.824  -9.187   6.091
  356    H    ILE  43           H        ILE  43  -1.128  -9.776   5.259
  357    HA   ILE  43           HA       ILE  43  -2.410  -8.516   7.573
  358    HB   ILE  43           HB       ILE  43  -0.002  -7.494   6.660
  359   1HG1  ILE  43          2HG1      ILE  43  -2.251  -6.333   8.294
  360   2HG1  ILE  43          1HG1      ILE  43  -0.790  -7.141   8.871
  361   1HG2  ILE  43          1HG2      ILE  43  -0.326  -5.581   5.403
  362   2HG2  ILE  43          2HG2      ILE  43  -1.943  -5.320   6.040
  363   3HG2  ILE  43          3HG2      ILE  43  -1.684  -6.499   4.774
  364   1HD1  ILE  43          1HD1      ILE  43  -0.753  -4.598   9.002
  365   2HD1  ILE  43          2HD1      ILE  43  -0.714  -4.605   7.238
  366   3HD1  ILE  43          3HD1      ILE  43   0.602  -5.339   8.148
  367    H    SER  44           H        SER  44  -4.031  -6.971   7.023
  368    HA   SER  44           HA       SER  44  -4.736  -6.484   4.306
  369   1HB   SER  44          2HB       SER  44  -5.699  -8.547   4.017
  370   2HB   SER  44          1HB       SER  44  -5.964  -8.778   5.742
  371    HG   SER  44           HG       SER  44  -7.658  -7.873   3.875
  372    H    HIS  45           H        HIS  45  -5.166  -4.316   4.815
  373    HA   HIS  45           HA       HIS  45  -7.129  -3.842   6.991
  374   1HB   HIS  45          2HB       HIS  45  -5.895  -1.480   5.835
  375   2HB   HIS  45          1HB       HIS  45  -6.042  -1.936   7.531
  376    HD1  HIS  45           HD1      HIS  45  -3.856  -2.373   8.627
  377    HD2  HIS  45           HD2      HIS  45  -3.702  -3.093   4.532
  378    HE1  HIS  45           HE1      HIS  45  -1.448  -2.947   8.099
  379    H    MET  46           H        MET  46  -9.125  -3.361   6.283
  380    HA   MET  46           HA       MET  46  -9.650  -2.897   3.514
  381   1HB   MET  46          2HB       MET  46 -11.180  -3.384   5.899
  382   2HB   MET  46          1HB       MET  46 -11.855  -2.003   5.041
  383   1HG   MET  46          2HG       MET  46 -12.607  -3.292   3.339
  384   2HG   MET  46          1HG       MET  46 -11.095  -4.197   3.253
  385   1HE   MET  46          1HE       MET  46 -15.033  -5.462   4.872
  386   2HE   MET  46          2HE       MET  46 -14.500  -5.018   3.253
  387   3HE   MET  46          3HE       MET  46 -14.562  -3.794   4.519
  388    H    TYR  47           H        TYR  47  -9.258  -1.061   2.521
  389    HA   TYR  47           HA       TYR  47  -8.361   1.302   3.487
  390   1HB   TYR  47          2HB       TYR  47 -10.066   0.651   1.104
  391   2HB   TYR  47          1HB       TYR  47  -9.695   2.333   1.466
  392    HD1  TYR  47           HD1      TYR  47  -8.698   1.428  -1.044
  393    HD2  TYR  47           HD2      TYR  47  -6.920   0.778   2.822
  394    HE1  TYR  47           HE1      TYR  47  -6.508   1.184  -2.088
  395    HE2  TYR  47           HE2      TYR  47  -4.719   0.539   1.750
  396    HH   TYR  47           HH       TYR  47  -4.369   0.603  -1.783
  397    H    ALA  48           H        ALA  48 -11.887   0.517   3.265
  398    HA   ALA  48           HA       ALA  48 -12.660   3.047   4.415
  399   1HB   ALA  48          1HB       ALA  48 -14.089   0.387   4.149
  400   2HB   ALA  48          2HB       ALA  48 -14.312   1.828   3.153
  401   3HB   ALA  48          3HB       ALA  48 -14.845   1.826   4.837
  402    H    ASP  49           H        ASP  49 -11.833  -0.072   5.546
  403    HA   ASP  49           HA       ASP  49 -12.483   0.189   8.322
  404   1HB   ASP  49          2HB       ASP  49 -10.603  -1.635   6.809
  405   2HB   ASP  49          1HB       ASP  49 -10.842  -1.740   8.553
  406    H    ILE  50           H        ILE  50 -10.336   1.833   6.498
  407    HA   ILE  50           HA       ILE  50  -8.715   2.496   8.852
  408    HB   ILE  50           HB       ILE  50  -6.649   2.470   7.524
  409   1HG1  ILE  50          2HG1      ILE  50  -8.398   1.332   5.328
  410   2HG1  ILE  50          1HG1      ILE  50  -7.739   2.968   5.338
  411   1HG2  ILE  50          1HG2      ILE  50  -8.080   0.247   8.418
  412   2HG2  ILE  50          2HG2      ILE  50  -6.364   0.283   8.007
  413   3HG2  ILE  50          3HG2      ILE  50  -7.550  -0.202   6.797
  414   1HD1  ILE  50          1HD1      ILE  50  -6.112   1.874   4.097
  415   2HD1  ILE  50          2HD1      ILE  50  -6.320   0.356   4.970
  416   3HD1  ILE  50          3HD1      ILE  50  -5.448   1.692   5.720
  417    H    LYS  51           H        LYS  51  -8.399   4.876   8.954
  418    HA   LYS  51           HA       LYS  51  -8.828   6.173   6.351
  419   1HB   LYS  51          2HB       LYS  51 -10.994   6.082   7.754
  420   2HB   LYS  51          1HB       LYS  51 -10.212   7.318   8.746
  421   1HG   LYS  51          2HG       LYS  51 -10.441   7.509   5.735
  422   2HG   LYS  51          1HG       LYS  51 -11.594   8.260   6.844
  423   1HD   LYS  51          2HD       LYS  51  -9.452   9.295   7.943
  424   2HD   LYS  51          1HD       LYS  51  -8.681   8.901   6.405
  425   1HE   LYS  51          2HE       LYS  51 -10.048  10.372   5.199
  426   2HE   LYS  51          1HE       LYS  51 -11.311  10.366   6.430
  427   1HZ   LYS  51          1HZ       LYS  51  -8.672  11.556   6.784
  428   2HZ   LYS  51          2HZ       LYS  51  -9.881  11.617   7.830
  429   3HZ   LYS  51          3HZ       LYS  51  -9.996  12.385   6.431
  430    H    CYS  52           H        CYS  52  -6.964   7.021   6.135
  431    HA   CYS  52           HA       CYS  52  -6.304   9.473   7.081
  432   1HB   CYS  52          2HB       CYS  52  -5.857   8.163   9.256
  433   2HB   CYS  52          1HB       CYS  52  -4.447   7.524   8.418
  434    HG   CYS  52           HG       CYS  52  -4.380  10.476   8.097
  435    H    GLN  53           H        GLN  53  -4.825  10.185   5.520
  436    HA   GLN  53           HA       GLN  53  -3.166   8.054   4.338
  437   1HB   GLN  53          2HB       GLN  53  -4.773   9.929   2.607
  438   2HB   GLN  53          1HB       GLN  53  -3.918   8.463   2.129
  439   1HG   GLN  53          2HG       GLN  53  -6.151   7.745   2.247
  440   2HG   GLN  53          1HG       GLN  53  -5.504   7.267   3.815
  441   1HE2  GLN  53          1HE2      GLN  53  -8.209   7.584   3.816
  442   2HE2  GLN  53          2HE2      GLN  53  -8.666   9.048   4.544
  443    H    LYS  54           H        LYS  54  -1.194   8.683   3.991
  444    HA   LYS  54           HA       LYS  54  -0.605  11.482   3.337
  445   1HB   LYS  54          2HB       LYS  54  -0.055  11.679   5.580
  446   2HB   LYS  54          1HB       LYS  54   0.215   9.946   5.768
  447   1HG   LYS  54          2HG       LYS  54   2.415  10.083   5.145
  448   2HG   LYS  54          1HG       LYS  54   2.120  11.392   3.998
  449   1HD   LYS  54          2HD       LYS  54   3.098  12.704   5.579
  450   2HD   LYS  54          1HD       LYS  54   1.527  12.616   6.376
  451   1HE   LYS  54          2HE       LYS  54   2.414  10.442   7.459
  452   2HE   LYS  54          1HE       LYS  54   4.007  10.995   6.943
  453   1HZ   LYS  54          1HZ       LYS  54   2.170  12.541   8.600
  454   2HZ   LYS  54          2HZ       LYS  54   3.647  12.986   8.175
  455   3HZ   LYS  54          3HZ       LYS  54   3.440  11.739   9.155
  456    H    ILE  55           H        ILE  55   0.402  11.209   1.370
  457    HA   ILE  55           HA       ILE  55   2.643   9.351   1.264
  458    HB   ILE  55           HB       ILE  55   1.878   8.108  -0.628
  459   1HG1  ILE  55          2HG1      ILE  55   0.734   9.753  -1.952
  460   2HG1  ILE  55          1HG1      ILE  55  -0.463   8.532  -1.543
  461   1HG2  ILE  55          1HG2      ILE  55  -0.496   8.351   1.235
  462   2HG2  ILE  55          2HG2      ILE  55   0.980   7.474   1.633
  463   3HG2  ILE  55          3HG2      ILE  55  -0.025   6.941   0.286
  464   1HD1  ILE  55          1HD1      ILE  55  -0.978  10.051   0.509
  465   2HD1  ILE  55          2HD1      ILE  55  -1.597  10.528  -1.072
  466   3HD1  ILE  55          3HD1      ILE  55  -0.156  11.305  -0.418
  467    H    SER  56           H        SER  56   4.099  10.916   0.813
  468    HA   SER  56           HA       SER  56   3.548  12.565  -1.585
  469   1HB   SER  56          2HB       SER  56   5.598  13.713   0.054
  470   2HB   SER  56          1HB       SER  56   4.034  14.393  -0.387
  471    HG   SER  56           HG       SER  56   3.584  14.101   1.645
  472    HA   PRO  57           HA       PRO  57   7.681  10.344  -1.671
  473   1HB   PRO  57          2HB       PRO  57   6.997   8.056  -3.229
  474   2HB   PRO  57          1HB       PRO  57   7.580   8.147  -1.563
  475   1HG   PRO  57          2HG       PRO  57   4.917   7.513  -2.465
  476   2HG   PRO  57          1HG       PRO  57   5.544   7.482  -0.821
  477   1HD   PRO  57          2HD       PRO  57   3.765   9.421  -1.970
  478   2HD   PRO  57          1HD       PRO  57   4.439   9.387  -0.331
  479    H    GLU  58           H        GLU  58   6.762  12.382  -3.234
  480    HA   GLU  58           HA       GLU  58   7.158  11.477  -6.013
  481   1HB   GLU  58          2HB       GLU  58   5.518  13.503  -4.774
  482   2HB   GLU  58          1HB       GLU  58   6.648  14.267  -5.893
  483   1HG   GLU  58          2HG       GLU  58   5.666  11.901  -7.145
  484   2HG   GLU  58          1HG       GLU  58   4.278  12.785  -6.510
  485    H    GLY  59           H        GLY  59   8.556  13.158  -3.339
  486   1HA   GLY  59          2HA       GLY  59  11.030  13.499  -4.839
  487   2HA   GLY  59          1HA       GLY  59  10.366  14.930  -4.032
  488    H    LYS  60           H        LYS  60   9.871  11.698  -2.801
  489    HA   LYS  60           HA       LYS  60  11.217  12.523  -0.332
  490   1HB   LYS  60          2HB       LYS  60   9.363  10.206  -0.946
  491   2HB   LYS  60          1HB       LYS  60  10.016  10.580   0.647
  492   1HG   LYS  60          2HG       LYS  60   8.676  12.815  -0.782
  493   2HG   LYS  60          1HG       LYS  60   7.642  11.517  -0.183
  494   1HD   LYS  60          2HD       LYS  60   7.711  12.774   1.735
  495   2HD   LYS  60          1HD       LYS  60   9.191  11.850   1.990
  496   1HE   LYS  60          2HE       LYS  60  10.202  13.849   0.503
  497   2HE   LYS  60          1HE       LYS  60   8.848  14.710   1.233
  498   1HZ   LYS  60          1HZ       LYS  60   9.711  14.404   3.291
  499   2HZ   LYS  60          2HZ       LYS  60  11.072  14.547   2.461
  500   3HZ   LYS  60          3HZ       LYS  60  10.557  13.099   2.910
  501    H    ALA  61           H        ALA  61  11.892  10.382   0.874
  502    HA   ALA  61           HA       ALA  61  14.416   9.652   0.154
  503   1HB   ALA  61          1HB       ALA  61  14.282   7.930   1.715
  504   2HB   ALA  61          2HB       ALA  61  12.633   7.507   1.258
  505   3HB   ALA  61          3HB       ALA  61  12.938   8.953   2.221
  506    H    LYS  62           H        LYS  62  11.695   7.372  -0.436
  507    HA   LYS  62           HA       LYS  62  12.288   7.120  -3.185
  508   1HB   LYS  62          2HB       LYS  62  12.996   4.606  -2.905
  509   2HB   LYS  62          1HB       LYS  62  14.222   5.860  -2.871
  510   1HG   LYS  62          2HG       LYS  62  12.861   5.076  -0.323
  511   2HG   LYS  62          1HG       LYS  62  14.106   4.011  -0.965
  512   1HD   LYS  62          2HD       LYS  62  15.123   6.651  -1.107
  513   2HD   LYS  62          1HD       LYS  62  14.395   6.468   0.491
  514   1HE   LYS  62          2HE       LYS  62  16.729   5.748   0.577
  515   2HE   LYS  62          1HE       LYS  62  15.675   4.350   0.790
  516   1HZ   LYS  62          1HZ       LYS  62  17.214   3.723  -0.789
  517   2HZ   LYS  62          2HZ       LYS  62  17.165   5.112  -1.582
  518   3HZ   LYS  62          3HZ       LYS  62  15.932   4.095  -1.673
  519    H    ILE  63           H        ILE  63   9.795   7.397  -1.984
  520    HA   ILE  63           HA       ILE  63   7.775   6.574  -2.298
  521    HB   ILE  63           HB       ILE  63   8.417   5.218  -4.155
  522   1HG1  ILE  63          2HG1      ILE  63   6.793   3.188  -3.074
  523   2HG1  ILE  63          1HG1      ILE  63   6.296   4.700  -2.294
  524   1HG2  ILE  63          1HG2      ILE  63   9.417   3.414  -2.017
  525   2HG2  ILE  63          2HG2      ILE  63   9.927   3.551  -3.709
  526   3HG2  ILE  63          3HG2      ILE  63   8.481   2.652  -3.295
  527   1HD1  ILE  63          1HD1      ILE  63   5.164   4.111  -4.543
  528   2HD1  ILE  63          2HD1      ILE  63   6.707   4.535  -5.283
  529   3HD1  ILE  63          3HD1      ILE  63   5.806   5.744  -4.368
  530    H    GLN  64           H        GLN  64   7.511   7.082  -0.238
  531    HA   GLN  64           HA       GLN  64   7.056   4.740   1.535
  532   1HB   GLN  64          2HB       GLN  64   7.283   6.798   3.307
  533   2HB   GLN  64          1HB       GLN  64   8.608   5.713   2.902
  534   1HG   GLN  64          2HG       GLN  64   9.201   7.326   1.022
  535   2HG   GLN  64          1HG       GLN  64   8.043   8.449   1.736
  536   1HE2  GLN  64          1HE2      GLN  64  10.348   6.228   3.385
  537   2HE2  GLN  64          2HE2      GLN  64  11.167   7.459   4.220
  538    H    LEU  65           H        LEU  65   4.933   4.617   2.252
  539    HA   LEU  65           HA       LEU  65   3.344   7.091   1.993
  540   1HB   LEU  65          2HB       LEU  65   1.391   5.692   1.297
  541   2HB   LEU  65          1HB       LEU  65   2.701   5.701   0.130
  542    HG   LEU  65           HG       LEU  65   1.684   3.447   0.497
  543   1HD1  LEU  65          1HD1      LEU  65   4.405   4.158   0.345
  544   2HD1  LEU  65          2HD1      LEU  65   3.651   2.646  -0.152
  545   3HD1  LEU  65          3HD1      LEU  65   4.300   2.808   1.474
  546   1HD2  LEU  65          1HD2      LEU  65   3.103   3.324   3.131
  547   2HD2  LEU  65          2HD2      LEU  65   1.808   2.300   2.518
  548   3HD2  LEU  65          3HD2      LEU  65   1.455   3.942   3.055
  549    H    GLN  66           H        GLN  66   1.258   6.926   3.376
  550    HA   GLN  66           HA       GLN  66   1.547   5.124   5.665
  551   1HB   GLN  66          2HB       GLN  66   2.603   7.718   5.743
  552   2HB   GLN  66          1HB       GLN  66   1.074   7.819   6.616
  553   1HG   GLN  66          2HG       GLN  66   1.726   5.922   8.028
  554   2HG   GLN  66          1HG       GLN  66   3.236   5.757   7.130
  555   1HE2  GLN  66          1HE2      GLN  66   4.330   8.197   6.953
  556   2HE2  GLN  66          2HE2      GLN  66   4.492   8.951   8.465
  557    H    LEU  67           H        LEU  67  -0.394   4.570   6.484
  558    HA   LEU  67           HA       LEU  67  -2.763   6.237   5.871
  559   1HB   LEU  67          2HB       LEU  67  -2.202   3.903   4.521
  560   2HB   LEU  67          1HB       LEU  67  -3.163   3.306   5.873
  561    HG   LEU  67           HG       LEU  67  -4.088   5.692   4.285
  562   1HD1  LEU  67          1HD1      LEU  67  -3.815   2.950   3.341
  563   2HD1  LEU  67          2HD1      LEU  67  -4.300   4.393   2.451
  564   3HD1  LEU  67          3HD1      LEU  67  -5.503   3.466   3.349
  565   1HD2  LEU  67          1HD2      LEU  67  -5.880   5.490   5.643
  566   2HD2  LEU  67          2HD2      LEU  67  -5.037   4.204   6.507
  567   3HD2  LEU  67          3HD2      LEU  67  -6.095   3.810   5.152
  568    H    VAL  68           H        VAL  68  -4.438   5.965   7.518
  569    HA   VAL  68           HA       VAL  68  -3.440   4.425   9.819
  570    HB   VAL  68           HB       VAL  68  -4.882   7.024  10.233
  571   1HG1  VAL  68          1HG1      VAL  68  -3.642   6.764  12.435
  572   2HG1  VAL  68          2HG1      VAL  68  -3.238   5.136  11.902
  573   3HG1  VAL  68          3HG1      VAL  68  -4.927   5.593  12.147
  574   1HG2  VAL  68          1HG2      VAL  68  -2.422   6.869   9.070
  575   2HG2  VAL  68          2HG2      VAL  68  -2.007   6.820  10.784
  576   3HG2  VAL  68          3HG2      VAL  68  -2.921   8.184  10.136
  577    H    LEU  69           H        LEU  69  -4.973   3.811  11.303
  578    HA   LEU  69           HA       LEU  69  -7.382   2.872  10.001
  579   1HB   LEU  69          2HB       LEU  69  -6.193   2.361  12.739
  580   2HB   LEU  69          1HB       LEU  69  -7.465   1.410  12.002
  581    HG   LEU  69           HG       LEU  69  -4.707   0.931  11.843
  582   1HD1  LEU  69          1HD1      LEU  69  -5.486  -0.623   9.884
  583   2HD1  LEU  69          2HD1      LEU  69  -7.092  -0.115  10.424
  584   3HD1  LEU  69          3HD1      LEU  69  -6.002  -0.930  11.546
  585   1HD2  LEU  69          1HD2      LEU  69  -5.665   2.183   9.289
  586   2HD2  LEU  69          2HD2      LEU  69  -4.400   0.957   9.293
  587   3HD2  LEU  69          3HD2      LEU  69  -4.161   2.470  10.164
  588    H    HIS  70           H        HIS  70  -9.508   3.474  10.713
  589    HA   HIS  70           HA       HIS  70  -9.971   5.982  11.801
  590   1HB   HIS  70          2HB       HIS  70 -12.148   4.873  12.711
  591   2HB   HIS  70          1HB       HIS  70 -11.888   4.860  10.966
  592    HD1  HIS  70           HD1      HIS  70 -11.734   2.618  13.997
  593    HD2  HIS  70           HD2      HIS  70 -11.453   2.303   9.850
  594    HE1  HIS  70           HE1      HIS  70 -11.779   0.143  13.462
  595    H    ALA  71           H        ALA  71  -9.165   2.971  13.225
  596    HA   ALA  71           HA       ALA  71  -9.482   3.767  15.980
  597   1HB   ALA  71          1HB       ALA  71  -9.428   1.356  15.011
  598   2HB   ALA  71          2HB       ALA  71  -8.570   1.653  16.522
  599   3HB   ALA  71          3HB       ALA  71  -7.676   1.553  15.006
  600    H    GLY  72           H        GLY  72  -6.854   2.838  16.860
  601   1HA   GLY  72          2HA       GLY  72  -5.301   5.217  16.082
  602   2HA   GLY  72          1HA       GLY  72  -5.183   4.390  17.639
  603    H    ASP  73           H        ASP  73  -5.168   3.302  14.350
  604    HA   ASP  73           HA       ASP  73  -2.521   2.064  14.852
  605   1HB   ASP  73          2HB       ASP  73  -5.008   0.845  13.681
  606   2HB   ASP  73          1HB       ASP  73  -3.416   0.229  13.233
  607    H    THR  74           H        THR  74  -1.056   2.486  13.334
  608    HA   THR  74           HA       THR  74  -2.019   3.895  10.934
  609    HB   THR  74           HB       THR  74   0.859   3.876  11.714
  610    HG1  THR  74           HG1      THR  74   0.063   5.855  12.995
  611   1HG2  THR  74          1HG2      THR  74   0.773   5.360  10.018
  612   2HG2  THR  74          2HG2      THR  74  -0.037   6.452  11.141
  613   3HG2  THR  74          3HG2      THR  74  -0.989   5.421  10.073
  614    H    THR  75           H        THR  75  -0.766   3.420   8.919
  615    HA   THR  75           HA       THR  75   0.431   0.748   8.960
  616    HB   THR  75           HB       THR  75  -1.681   1.795   7.042
  617    HG1  THR  75           HG1      THR  75  -2.556   0.894   8.883
  618   1HG2  THR  75          1HG2      THR  75  -1.173   0.108   5.568
  619   2HG2  THR  75          2HG2      THR  75  -0.578  -0.963   6.837
  620   3HG2  THR  75          3HG2      THR  75   0.437   0.352   6.245
  621    H    ASN  76           H        ASN  76   2.534   1.456   8.479
  622    HA   ASN  76           HA       ASN  76   2.744   3.499   6.359
  623   1HB   ASN  76          2HB       ASN  76   4.836   2.641   8.377
  624   2HB   ASN  76          1HB       ASN  76   4.922   4.017   7.277
  625   1HD2  ASN  76          1HD2      ASN  76   5.176   5.356   9.313
  626   2HD2  ASN  76          2HD2      ASN  76   3.786   5.784  10.187
  627    H    PHE  77           H        PHE  77   4.138   3.025   4.598
  628    HA   PHE  77           HA       PHE  77   5.437   0.418   4.687
  629   1HB   PHE  77          2HB       PHE  77   2.922   0.823   3.377
  630   2HB   PHE  77          1HB       PHE  77   4.166   0.476   2.183
  631    HD1  PHE  77           HD1      PHE  77   5.988  -1.294   3.245
  632    HD2  PHE  77           HD2      PHE  77   1.787  -1.120   4.092
  633    HE1  PHE  77           HE1      PHE  77   6.030  -3.673   3.887
  634    HE2  PHE  77           HE2      PHE  77   1.821  -3.515   4.720
  635    HZ   PHE  77           HZ       PHE  77   3.970  -4.773   4.603
  636    H    HIS  78           H        HIS  78   7.026   0.187   3.268
  637    HA   HIS  78           HA       HIS  78   7.693   2.482   1.526
  638   1HB   HIS  78          2HB       HIS  78   8.811   2.807   3.721
  639   2HB   HIS  78          1HB       HIS  78   9.601   1.253   3.536
  640    HD1  HIS  78           HD1      HIS  78  11.559   1.079   1.938
  641    HD2  HIS  78           HD2      HIS  78   9.810   4.862   1.854
  642    HE1  HIS  78           HE1      HIS  78  13.050   2.562   0.542
  643    H    PHE  79           H        PHE  79   9.515   2.003   0.128
  644    HA   PHE  79           HA       PHE  79   9.827  -0.870  -0.520
  645   1HB   PHE  79          2HB       PHE  79   9.466   1.394  -2.476
  646   2HB   PHE  79          1HB       PHE  79   9.606  -0.300  -2.857
  647    HD1  PHE  79           HD1      PHE  79   7.413   2.339  -1.430
  648    HD2  PHE  79           HD2      PHE  79   7.700  -1.774  -2.629
  649    HE1  PHE  79           HE1      PHE  79   4.916   2.147  -1.339
  650    HE2  PHE  79           HE2      PHE  79   5.240  -1.979  -2.498
  651    HZ   PHE  79           HZ       PHE  79   3.858  -0.049  -1.858
  652    H    SER  80           H        SER  80  12.192  -1.277  -1.207
  653    HA   SER  80           HA       SER  80  13.738   1.027  -1.863
  654   1HB   SER  80          2HB       SER  80  13.312   0.805   0.792
  655   2HB   SER  80          1HB       SER  80  14.730  -0.231   0.626
  656    HG   SER  80           HG       SER  80  15.901   1.453  -0.015
  657    H    ASN  81           H        ASN  81  15.337   0.232  -3.168
  658    HA   ASN  81           HA       ASN  81  16.573  -2.334  -2.548
  659   1HB   ASN  81          2HB       ASN  81  15.562  -1.949  -5.348
  660   2HB   ASN  81          1HB       ASN  81  15.938  -3.447  -4.493
  661   1HD2  ASN  81          1HD2      ASN  81  14.422  -3.918  -2.566
  662   2HD2  ASN  81          2HD2      ASN  81  12.792  -3.500  -2.743
  663    H    GLU  82           H        GLU  82  17.497  -2.244  -5.481
  664    HA   GLU  82           HA       GLU  82  19.525  -0.153  -5.031
  665   1HB   GLU  82          2HB       GLU  82  20.907  -1.408  -6.599
  666   2HB   GLU  82          1HB       GLU  82  20.316  -2.508  -5.353
  667   1HG   GLU  82          2HG       GLU  82  18.555  -3.312  -6.831
  668   2HG   GLU  82          1HG       GLU  82  19.008  -2.132  -8.063
  669    H    SER  83           H        SER  83  17.159  -1.423  -7.350
  670    HA   SER  83           HA       SER  83  17.139   1.214  -8.614
  671   1HB   SER  83          2HB       SER  83  18.062  -1.300  -9.928
  672   2HB   SER  83          1HB       SER  83  17.181  -0.109 -10.877
  673    HG   SER  83           HG       SER  83  19.217   0.815  -9.214
  674    H    THR  84           H        THR  84  15.258  -1.074  -7.242
  675    HA   THR  84           HA       THR  84  13.144  -0.611  -9.265
  676    HB   THR  84           HB       THR  84  14.181  -3.087  -8.118
  677    HG1  THR  84           HG1      THR  84  12.511  -2.237 -10.188
  678   1HG2  THR  84          1HG2      THR  84  11.199  -2.632  -7.849
  679   2HG2  THR  84          2HG2      THR  84  12.336  -2.887  -6.527
  680   3HG2  THR  84          3HG2      THR  84  12.020  -4.182  -7.678
  681    H    ALA  85           H        ALA  85  14.182   0.632  -6.601
  682    HA   ALA  85           HA       ALA  85  11.774   0.304  -4.976
  683   1HB   ALA  85          1HB       ALA  85  13.539   0.313  -3.540
  684   2HB   ALA  85          2HB       ALA  85  13.190   2.042  -3.556
  685   3HB   ALA  85          3HB       ALA  85  14.502   1.396  -4.544
  686    H    VAL  86           H        VAL  86  11.760   2.044  -7.635
  687    HA   VAL  86           HA       VAL  86  10.667   4.375  -6.232
  688    HB   VAL  86           HB       VAL  86  12.350   4.340  -8.750
  689   1HG1  VAL  86          1HG1      VAL  86  11.736   6.954  -7.678
  690   2HG1  VAL  86          2HG1      VAL  86  10.245   6.082  -8.036
  691   3HG1  VAL  86          3HG1      VAL  86  11.448   6.329  -9.302
  692   1HG2  VAL  86          1HG2      VAL  86  14.056   5.221  -7.480
  693   2HG2  VAL  86          2HG2      VAL  86  13.249   4.299  -6.212
  694   3HG2  VAL  86          3HG2      VAL  86  12.951   6.030  -6.369
  695    H    LYS  87           H        LYS  87  10.768   4.114  -9.716
  696    HA   LYS  87           HA       LYS  87   8.240   4.721 -10.350
  697   1HB   LYS  87          2HB       LYS  87  10.058   2.665 -11.581
  698   2HB   LYS  87          1HB       LYS  87   8.473   3.009 -12.276
  699   1HG   LYS  87          2HG       LYS  87   9.559   5.532 -11.789
  700   2HG   LYS  87          1HG       LYS  87  10.920   4.588 -12.396
  701   1HD   LYS  87          2HD       LYS  87   8.404   4.145 -13.863
  702   2HD   LYS  87          1HD       LYS  87   9.030   5.790 -13.987
  703   1HE   LYS  87          2HE       LYS  87  11.116   5.037 -14.865
  704   2HE   LYS  87          1HE       LYS  87  10.778   3.362 -14.426
  705   1HZ   LYS  87          1HZ       LYS  87   9.758   4.892 -16.631
  706   2HZ   LYS  87          2HZ       LYS  87   8.769   3.816 -15.980
  707   3HZ   LYS  87          3HZ       LYS  87  10.178   3.348 -16.576
  708    H    GLU  88           H        GLU  88   9.025   1.254 -10.288
  709    HA   GLU  88           HA       GLU  88   6.609   0.103 -10.377
  710   1HB   GLU  88          2HB       GLU  88   7.511  -1.454  -8.421
  711   2HB   GLU  88          1HB       GLU  88   8.244  -1.482 -10.020
  712   1HG   GLU  88          2HG       GLU  88   9.420   0.625  -8.419
  713   2HG   GLU  88          1HG       GLU  88   9.530  -0.926  -7.594
  714    H    ARG  89           H        ARG  89   7.946   0.852  -7.219
  715    HA   ARG  89           HA       ARG  89   5.542   0.656  -5.782
  716   1HB   ARG  89          2HB       ARG  89   7.458   2.729  -4.871
  717   2HB   ARG  89          1HB       ARG  89   6.774   1.367  -3.988
  718   1HG   ARG  89          2HG       ARG  89   9.054   1.269  -5.985
  719   2HG   ARG  89          1HG       ARG  89   9.157   0.988  -4.264
  720   1HD   ARG  89          2HD       ARG  89   7.523  -0.927  -4.560
  721   2HD   ARG  89          1HD       ARG  89   7.731  -0.741  -6.296
  722    HE   ARG  89           HE       ARG  89  10.263  -0.957  -5.477
  723   1HH1  ARG  89          1HH2      ARG  89   7.344  -2.725  -4.945
  724   2HH1  ARG  89          2HH2      ARG  89   8.153  -4.226  -4.651
  725   1HH2  ARG  89          1HH1      ARG  89  11.326  -2.909  -5.051
  726   2HH2  ARG  89          2HH1      ARG  89  10.400  -4.332  -4.722
  727    H    ASP  90           H        ASP  90   7.120   3.275  -7.450
  728    HA   ASP  90           HA       ASP  90   5.420   5.408  -6.794
  729   1HB   ASP  90          2HB       ASP  90   7.559   5.040  -8.510
  730   2HB   ASP  90          1HB       ASP  90   6.219   5.324  -9.621
  731    H    ALA  91           H        ALA  91   4.791   2.504  -8.492
  732    HA   ALA  91           HA       ALA  91   2.402   3.618  -9.794
  733   1HB   ALA  91          1HB       ALA  91   2.768   1.977 -11.309
  734   2HB   ALA  91          2HB       ALA  91   2.614   0.767 -10.035
  735   3HB   ALA  91          3HB       ALA  91   4.191   1.466 -10.401
  736    H    VAL  92           H        VAL  92   3.580   1.465  -7.269
  737    HA   VAL  92           HA       VAL  92   1.082   0.420  -6.407
  738    HB   VAL  92           HB       VAL  92   3.704   0.998  -5.010
  739   1HG1  VAL  92          1HG1      VAL  92   1.049   0.601  -3.813
  740   2HG1  VAL  92          2HG1      VAL  92   2.539   1.182  -3.071
  741   3HG1  VAL  92          3HG1      VAL  92   2.255  -0.551  -3.241
  742   1HG2  VAL  92          1HG2      VAL  92   2.480  -1.238  -6.373
  743   2HG2  VAL  92          2HG2      VAL  92   2.828  -1.666  -4.696
  744   3HG2  VAL  92          3HG2      VAL  92   4.122  -1.089  -5.746
  745    H    LYS  93           H        LYS  93   2.998   3.210  -5.308
  746    HA   LYS  93           HA       LYS  93   1.051   4.348  -3.656
  747   1HB   LYS  93          2HB       LYS  93   3.115   5.373  -3.429
  748   2HB   LYS  93          1HB       LYS  93   3.437   5.333  -5.165
  749   1HG   LYS  93          2HG       LYS  93   2.165   7.237  -5.590
  750   2HG   LYS  93          1HG       LYS  93   1.186   7.036  -4.135
  751   1HD   LYS  93          2HD       LYS  93   3.064   7.699  -2.733
  752   2HD   LYS  93          1HD       LYS  93   4.126   7.768  -4.140
  753   1HE   LYS  93          2HE       LYS  93   1.809   9.581  -3.464
  754   2HE   LYS  93          1HE       LYS  93   3.489  10.022  -3.769
  755   1HZ   LYS  93          1HZ       LYS  93   2.269  10.486  -5.693
  756   2HZ   LYS  93          2HZ       LYS  93   1.548   9.058  -5.714
  757   3HZ   LYS  93          3HZ       LYS  93   3.112   9.169  -6.035
  758    H    ASP  94           H        ASP  94   1.842   4.927  -7.094
  759    HA   ASP  94           HA       ASP  94  -0.057   6.699  -7.882
  760   1HB   ASP  94          2HB       ASP  94   1.578   5.551  -9.385
  761   2HB   ASP  94          1HB       ASP  94   0.533   4.132  -9.369
  762    H    LEU  95           H        LEU  95  -0.658   3.415  -6.741
  763    HA   LEU  95           HA       LEU  95  -3.423   3.518  -7.686
  764   1HB   LEU  95          2HB       LEU  95  -2.465   1.565  -5.631
  765   2HB   LEU  95          1HB       LEU  95  -3.604   1.325  -6.952
  766    HG   LEU  95           HG       LEU  95  -0.598   1.457  -7.084
  767   1HD1  LEU  95          1HD1      LEU  95  -0.886  -0.768  -7.109
  768   2HD1  LEU  95          2HD1      LEU  95  -1.717  -0.597  -8.655
  769   3HD1  LEU  95          3HD1      LEU  95  -2.638  -0.579  -7.150
  770   1HD2  LEU  95          1HD2      LEU  95  -1.105   2.766  -8.960
  771   2HD2  LEU  95          2HD2      LEU  95  -2.660   1.974  -9.212
  772   3HD2  LEU  95          3HD2      LEU  95  -1.168   1.143  -9.647
  773    H    LEU  96           H        LEU  96  -1.613   3.559  -4.632
  774    HA   LEU  96           HA       LEU  96  -3.497   3.770  -2.716
  775   1HB   LEU  96          2HB       LEU  96  -1.097   5.590  -3.083
  776   2HB   LEU  96          1HB       LEU  96  -2.017   5.464  -1.590
  777    HG   LEU  96           HG       LEU  96  -0.078   3.539  -2.793
  778   1HD1  LEU  96          1HD1      LEU  96  -0.130   3.099  -0.136
  779   2HD1  LEU  96          2HD1      LEU  96  -0.789   4.735  -0.174
  780   3HD1  LEU  96          3HD1      LEU  96   0.796   4.406  -0.878
  781   1HD2  LEU  96          1HD2      LEU  96  -2.184   2.247  -2.883
  782   2HD2  LEU  96          2HD2      LEU  96  -2.503   2.643  -1.194
  783   3HD2  LEU  96          3HD2      LEU  96  -1.122   1.630  -1.617
  784    H    GLN  97           H        GLN  97  -2.337   6.661  -4.426
  785    HA   GLN  97           HA       GLN  97  -4.515   8.262  -3.425
  786   1HB   GLN  97          2HB       GLN  97  -3.852   9.966  -4.965
  787   2HB   GLN  97          1HB       GLN  97  -2.410   9.298  -4.212
  788   1HG   GLN  97          2HG       GLN  97  -3.120   7.854  -6.631
  789   2HG   GLN  97          1HG       GLN  97  -2.909   9.577  -6.958
  790   1HE2  GLN  97          1HE2      GLN  97  -1.303   6.664  -5.903
  791   2HE2  GLN  97          2HE2      GLN  97   0.265   7.298  -5.865
  792    H    GLN  98           H        GLN  98  -4.615   5.851  -5.634
  793    HA   GLN  98           HA       GLN  98  -6.650   7.121  -7.311
  794   1HB   GLN  98          2HB       GLN  98  -4.671   5.511  -8.053
  795   2HB   GLN  98          1HB       GLN  98  -5.849   4.265  -7.629
  796   1HG   GLN  98          2HG       GLN  98  -7.233   6.288  -9.076
  797   2HG   GLN  98          1HG       GLN  98  -5.772   5.894  -9.984
  798   1HE2  GLN  98          1HE2      GLN  98  -5.482   3.150  -9.398
  799   2HE2  GLN  98          2HE2      GLN  98  -6.816   2.299 -10.012
  800    H    LEU  99           H        LEU  99  -6.303   4.659  -4.793
  801    HA   LEU  99           HA       LEU  99  -9.132   3.904  -5.108
  802   1HB   LEU  99          2HB       LEU  99  -7.796   2.853  -2.739
  803   2HB   LEU  99          1HB       LEU  99  -8.563   1.974  -4.042
  804    HG   LEU  99           HG       LEU  99  -6.316   2.817  -5.303
  805   1HD1  LEU  99          1HD1      LEU  99  -4.625   2.129  -3.318
  806   2HD1  LEU  99          2HD1      LEU  99  -5.899   2.901  -2.365
  807   3HD1  LEU  99          3HD1      LEU  99  -5.092   3.794  -3.646
  808   1HD2  LEU  99          1HD2      LEU  99  -6.454   0.561  -5.527
  809   2HD2  LEU  99          2HD2      LEU  99  -7.232   0.375  -3.956
  810   3HD2  LEU  99          3HD2      LEU  99  -5.474   0.480  -4.063
  811    H    LEU 100           H        LEU 100  -6.994   5.678  -3.001
  812    HA   LEU 100           HA       LEU 100  -8.425   5.920  -0.707
  813   1HB   LEU 100          2HB       LEU 100  -6.528   7.641  -2.174
  814   2HB   LEU 100          1HB       LEU 100  -7.571   8.501  -1.041
  815    HG   LEU 100           HG       LEU 100  -6.919   6.948   0.755
  816   1HD1  LEU 100          1HD1      LEU 100  -4.639   5.758  -0.589
  817   2HD1  LEU 100          2HD1      LEU 100  -6.142   5.311  -1.393
  818   3HD1  LEU 100          3HD1      LEU 100  -5.926   4.971   0.323
  819   1HD2  LEU 100          1HD2      LEU 100  -4.330   7.506   0.584
  820   2HD2  LEU 100          2HD2      LEU 100  -5.510   8.797   0.814
  821   3HD2  LEU 100          3HD2      LEU 100  -4.855   8.477  -0.791
  822    HA   PRO 101           HA       PRO 101 -11.016   9.296  -2.999
  823   1HB   PRO 101          2HB       PRO 101 -10.857   8.166  -5.734
  824   2HB   PRO 101          1HB       PRO 101 -10.821   9.863  -5.227
  825   1HG   PRO 101          2HG       PRO 101  -8.618   8.454  -6.081
  826   2HG   PRO 101          1HG       PRO 101  -8.527   9.843  -4.984
  827   1HD   PRO 101          2HD       PRO 101  -8.074   7.009  -4.409
  828   2HD   PRO 101          1HD       PRO 101  -7.668   8.427  -3.426
  829    H    LYS 102           H        LYS 102 -11.012   5.937  -3.121
  830    HA   LYS 102           HA       LYS 102 -13.680   5.586  -4.220
  831   1HB   LYS 102          2HB       LYS 102 -11.979   3.889  -4.609
  832   2HB   LYS 102          1HB       LYS 102 -11.724   3.728  -2.868
  833   1HG   LYS 102          2HG       LYS 102 -13.419   2.290  -2.673
  834   2HG   LYS 102          1HG       LYS 102 -14.522   3.391  -3.505
  835   1HD   LYS 102          2HD       LYS 102 -13.754   2.590  -5.674
  836   2HD   LYS 102          1HD       LYS 102 -12.532   1.578  -4.901
  837   1HE   LYS 102          2HE       LYS 102 -14.027  -0.071  -4.566
  838   2HE   LYS 102          1HE       LYS 102 -15.138   1.041  -3.767
  839   1HZ   LYS 102          1HZ       LYS 102 -16.354   0.685  -5.567
  840   2HZ   LYS 102          2HZ       LYS 102 -15.142   0.133  -6.454
  841   3HZ   LYS 102          3HZ       LYS 102 -15.376   1.710  -6.314
  842    H    PHE 103           H        PHE 103 -12.129   5.310  -1.038
  843    HA   PHE 103           HA       PHE 103 -14.807   4.946   0.141
  844   1HB   PHE 103          2HB       PHE 103 -13.128   4.371   2.195
  845   2HB   PHE 103          1HB       PHE 103 -13.636   3.160   1.014
  846    HD1  PHE 103           HD1      PHE 103 -12.233   2.715  -0.985
  847    HD2  PHE 103           HD2      PHE 103 -10.866   5.167   2.263
  848    HE1  PHE 103           HE1      PHE 103  -9.931   2.549  -1.845
  849    HE2  PHE 103           HE2      PHE 103  -8.535   4.986   1.416
  850    HZ   PHE 103           HZ       PHE 103  -8.069   3.680  -0.647
  851    H    LYS 104           H        LYS 104 -12.637   7.368  -0.417
  852    HA   LYS 104           HA       LYS 104 -13.816   8.979   1.695
  853   1HB   LYS 104          2HB       LYS 104 -11.377   7.747   2.221
  854   2HB   LYS 104          1HB       LYS 104 -10.925   9.366   1.684
  855   1HG   LYS 104          2HG       LYS 104 -11.263   9.544   4.042
  856   2HG   LYS 104          1HG       LYS 104 -12.700  10.248   3.299
  857   1HD   LYS 104          2HD       LYS 104 -13.874   8.078   3.567
  858   2HD   LYS 104          1HD       LYS 104 -12.453   7.424   4.377
  859   1HE   LYS 104          2HE       LYS 104 -13.368   8.193   6.296
  860   2HE   LYS 104          1HE       LYS 104 -12.941   9.807   5.728
  861   1HZ   LYS 104          1HZ       LYS 104 -15.456   8.463   5.120
  862   2HZ   LYS 104          2HZ       LYS 104 -15.072   9.968   4.733
  863   3HZ   LYS 104          3HZ       LYS 104 -15.281   9.566   6.268
  864    H    ARG 105           H        ARG 105 -14.599  10.464   0.237
  865    HA   ARG 105           HA       ARG 105 -12.666  12.182  -1.058
  866   1HB   ARG 105          2HB       ARG 105 -12.771  10.543  -2.802
  867   2HB   ARG 105          1HB       ARG 105 -14.525  10.415  -2.663
  868   1HG   ARG 105          2HG       ARG 105 -14.901  12.388  -3.792
  869   2HG   ARG 105          1HG       ARG 105 -13.391  13.113  -3.241
  870   1HD   ARG 105          2HD       ARG 105 -13.301  12.608  -5.657
  871   2HD   ARG 105          1HD       ARG 105 -12.123  11.647  -4.763
  872    HE   ARG 105           HE       ARG 105 -14.330  10.042  -4.848
  873   1HH1  ARG 105          1HH2      ARG 105 -12.451  11.820  -7.141
  874   2HH1  ARG 105          2HH2      ARG 105 -12.732  10.700  -8.431
  875   1HH2  ARG 105          1HH1      ARG 105 -14.701   8.578  -6.525
  876   2HH2  ARG 105          2HH1      ARG 105 -14.003   8.868  -8.083
  877    H    LYS 106           H        LYS 106 -14.069  13.250   0.776
  878    HA   LYS 106           HA       LYS 106 -16.783  13.853   0.293
  879   1HB   LYS 106          2HB       LYS 106 -15.369  14.221   2.429
  880   2HB   LYS 106          1HB       LYS 106 -14.863  15.730   1.667
  881   1HG   LYS 106          2HG       LYS 106 -16.735  16.575   2.656
  882   2HG   LYS 106          1HG       LYS 106 -17.562  15.843   1.280
  883   1HD   LYS 106          2HD       LYS 106 -18.465  14.176   2.545
  884   2HD   LYS 106          1HD       LYS 106 -17.015  14.007   3.535
  885   1HE   LYS 106          2HE       LYS 106 -18.585  14.890   5.047
  886   2HE   LYS 106          1HE       LYS 106 -17.695  16.319   4.519
  887   1HZ   LYS 106          1HZ       LYS 106 -19.593  17.106   3.793
  888   2HZ   LYS 106          2HZ       LYS 106 -20.388  15.782   4.211
  889   3HZ   LYS 106          3HZ       LYS 106 -19.744  15.900   2.751
  890    H    ALA 107           H        ALA 107 -17.727  15.365  -1.032
  891    HA   ALA 107           HA       ALA 107 -16.185  17.589  -2.070
  892   1HB   ALA 107          1HB       ALA 107 -16.704  16.898  -4.466
  893   2HB   ALA 107          2HB       ALA 107 -17.061  15.292  -3.832
  894   3HB   ALA 107          3HB       ALA 107 -15.440  15.966  -3.664
  895    H    ASN 108           H        ASN 108 -18.760  16.866  -0.591
  896    HA   ASN 108           HA       ASN 108 -20.945  17.466  -2.295
  897   1HB   ASN 108          2HB       ASN 108 -20.456  17.173   0.584
  898   2HB   ASN 108          1HB       ASN 108 -21.695  18.371   0.205
  899   1HD2  ASN 108          1HD2      ASN 108 -21.456  15.190   0.966
  900   2HD2  ASN 108          2HD2      ASN 108 -22.758  14.565   0.074
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -17.346  -8.817 -18.611
    2   2H    MET   1          2H        MET   1 -18.040  -9.594 -17.395
    3   3H    MET   1          3H        MET   1 -16.448  -9.623 -17.558
    4    HA   MET   1           HA       MET   1 -16.502  -7.136 -17.314
    5   1HB   MET   1          2HB       MET   1 -19.201  -7.612 -17.399
    6   2HB   MET   1          1HB       MET   1 -18.916  -7.516 -15.660
    7   1HG   MET   1          2HG       MET   1 -17.670  -5.362 -16.062
    8   2HG   MET   1          1HG       MET   1 -18.197  -5.437 -17.743
    9   1HE   MET   1          1HE       MET   1 -19.565  -3.751 -18.265
   10   2HE   MET   1          2HE       MET   1 -21.248  -3.580 -17.774
   11   3HE   MET   1          3HE       MET   1 -20.714  -5.064 -18.558
   12    H    ALA   2           H        ALA   2 -17.564  -9.933 -15.409
   13    HA   ALA   2           HA       ALA   2 -15.708  -9.019 -13.288
   14   1HB   ALA   2          1HB       ALA   2 -18.476  -9.595 -13.111
   15   2HB   ALA   2          2HB       ALA   2 -17.358  -9.283 -11.783
   16   3HB   ALA   2          3HB       ALA   2 -17.634 -10.936 -12.334
   17    H    THR   3           H        THR   3 -14.234 -10.554 -12.552
   18    HA   THR   3           HA       THR   3 -14.338 -13.166 -13.944
   19    HB   THR   3           HB       THR   3 -11.858 -11.822 -12.858
   20    HG1  THR   3           HG1      THR   3 -11.556 -10.961 -14.847
   21   1HG2  THR   3          1HG2      THR   3 -10.988 -13.829 -13.388
   22   2HG2  THR   3          2HG2      THR   3 -11.312 -13.442 -15.078
   23   3HG2  THR   3          3HG2      THR   3 -12.498 -14.347 -14.138
   24    H    SER   4           H        SER   4 -13.695 -11.487 -10.891
   25    HA   SER   4           HA       SER   4 -14.052 -14.089  -9.543
   26   1HB   SER   4          2HB       SER   4 -11.599 -13.106  -9.714
   27   2HB   SER   4          1HB       SER   4 -12.158 -12.064  -8.409
   28    HG   SER   4           HG       SER   4 -11.201 -14.122  -7.764
   29    H    SER   5           H        SER   5 -13.501 -12.541  -6.975
   30    HA   SER   5           HA       SER   5 -16.189 -11.334  -6.830
   31   1HB   SER   5          2HB       SER   5 -14.350 -12.542  -4.764
   32   2HB   SER   5          1HB       SER   5 -15.743 -11.563  -4.315
   33    HG   SER   5           HG       SER   5 -16.063 -13.919  -4.512
   34    H    GLU   6           H        GLU   6 -13.364 -10.756  -4.754
   35    HA   GLU   6           HA       GLU   6 -13.890  -7.955  -4.701
   36   1HB   GLU   6          2HB       GLU   6 -11.276  -9.270  -3.969
   37   2HB   GLU   6          1HB       GLU   6 -11.970  -7.790  -3.311
   38   1HG   GLU   6          2HG       GLU   6 -12.692  -9.153  -1.636
   39   2HG   GLU   6          1HG       GLU   6 -13.968  -9.569  -2.780
   40    H    GLU   7           H        GLU   7 -12.297  -6.308  -5.404
   41    HA   GLU   7           HA       GLU   7 -10.920  -7.140  -7.892
   42   1HB   GLU   7          2HB       GLU   7 -12.048  -4.381  -7.424
   43   2HB   GLU   7          1HB       GLU   7 -11.576  -5.129  -8.950
   44   1HG   GLU   7          2HG       GLU   7 -13.499  -6.867  -7.934
   45   2HG   GLU   7          1HG       GLU   7 -14.127  -5.267  -7.535
   46    H    VAL   8           H        VAL   8  -8.678  -7.083  -7.317
   47    HA   VAL   8           HA       VAL   8  -7.910  -4.984  -5.441
   48    HB   VAL   8           HB       VAL   8  -6.060  -6.307  -4.921
   49   1HG1  VAL   8          1HG1      VAL   8  -7.048  -8.242  -4.235
   50   2HG1  VAL   8          2HG1      VAL   8  -7.584  -8.662  -5.861
   51   3HG1  VAL   8          3HG1      VAL   8  -8.505  -7.504  -4.901
   52   1HG2  VAL   8          1HG2      VAL   8  -4.778  -6.889  -6.700
   53   2HG2  VAL   8          2HG2      VAL   8  -6.171  -6.966  -7.781
   54   3HG2  VAL   8          3HG2      VAL   8  -5.762  -8.351  -6.770
   55    H    LEU   9           H        LEU   9  -6.073  -3.652  -5.944
   56    HA   LEU   9           HA       LEU   9  -6.060  -3.031  -8.812
   57   1HB   LEU   9          2HB       LEU   9  -6.648  -1.211  -7.336
   58   2HB   LEU   9          1HB       LEU   9  -5.150  -1.416  -6.434
   59    HG   LEU   9           HG       LEU   9  -3.820  -0.753  -8.310
   60   1HD1  LEU   9          1HD1      LEU   9  -4.692  -1.678 -10.238
   61   2HD1  LEU   9          2HD1      LEU   9  -5.295  -0.031 -10.424
   62   3HD1  LEU   9          3HD1      LEU   9  -6.355  -1.293  -9.796
   63   1HD2  LEU   9          1HD2      LEU   9  -4.559   1.512  -8.639
   64   2HD2  LEU   9          2HD2      LEU   9  -5.084   1.043  -7.022
   65   3HD2  LEU   9          3HD2      LEU   9  -6.241   1.068  -8.352
   66    H    LEU  10           H        LEU  10  -3.529  -3.701  -6.222
   67    HA   LEU  10           HA       LEU  10  -1.856  -4.624  -8.383
   68   1HB   LEU  10          2HB       LEU  10  -1.829  -1.978  -8.313
   69   2HB   LEU  10          1HB       LEU  10  -0.669  -2.255  -7.016
   70    HG   LEU  10           HG       LEU  10   0.689  -3.655  -8.503
   71   1HD1  LEU  10          1HD1      LEU  10  -0.045  -3.481 -11.021
   72   2HD1  LEU  10          2HD1      LEU  10  -1.648  -3.207 -10.338
   73   3HD1  LEU  10          3HD1      LEU  10  -0.783  -4.702  -9.984
   74   1HD2  LEU  10          1HD2      LEU  10   1.049  -1.792 -10.346
   75   2HD2  LEU  10          2HD2      LEU  10   1.443  -1.457  -8.660
   76   3HD2  LEU  10          3HD2      LEU  10  -0.076  -0.877  -9.342
   77    H    ILE  11           H        ILE  11   0.312  -5.254  -7.630
   78    HA   ILE  11           HA       ILE  11   0.539  -5.547  -4.714
   79    HB   ILE  11           HB       ILE  11  -0.413  -7.631  -5.199
   80   1HG1  ILE  11          2HG1      ILE  11   2.015  -7.680  -4.226
   81   2HG1  ILE  11          1HG1      ILE  11   1.293  -9.187  -4.774
   82   1HG2  ILE  11          1HG2      ILE  11   1.206  -7.605  -7.761
   83   2HG2  ILE  11          2HG2      ILE  11  -0.538  -7.385  -7.617
   84   3HG2  ILE  11          3HG2      ILE  11   0.188  -8.945  -7.233
   85   1HD1  ILE  11          1HD1      ILE  11   2.648  -7.775  -6.942
   86   2HD1  ILE  11          2HD1      ILE  11   2.836  -9.444  -6.404
   87   3HD1  ILE  11          3HD1      ILE  11   3.739  -8.155  -5.609
   88    H    VAL  12           H        VAL  12   2.682  -5.471  -4.033
   89    HA   VAL  12           HA       VAL  12   4.711  -5.391  -6.180
   90    HB   VAL  12           HB       VAL  12   5.902  -3.728  -4.555
   91   1HG1  VAL  12          1HG1      VAL  12   4.517  -3.481  -6.883
   92   2HG1  VAL  12          2HG1      VAL  12   5.317  -2.133  -6.074
   93   3HG1  VAL  12          3HG1      VAL  12   3.590  -2.403  -5.840
   94   1HG2  VAL  12          1HG2      VAL  12   3.405  -2.482  -3.876
   95   2HG2  VAL  12          2HG2      VAL  12   4.712  -2.981  -2.805
   96   3HG2  VAL  12          3HG2      VAL  12   3.431  -4.108  -3.208
   97    H    LYS  13           H        LYS  13   5.642  -7.284  -5.905
   98    HA   LYS  13           HA       LYS  13   6.071  -8.794  -3.649
   99   1HB   LYS  13          2HB       LYS  13   7.303 -10.118  -5.039
  100   2HB   LYS  13          1HB       LYS  13   6.518  -9.110  -6.241
  101   1HG   LYS  13          2HG       LYS  13   9.259  -8.535  -5.091
  102   2HG   LYS  13          1HG       LYS  13   8.981  -9.370  -6.617
  103   1HD   LYS  13          2HD       LYS  13   7.466  -6.870  -6.388
  104   2HD   LYS  13          1HD       LYS  13   9.213  -6.633  -6.326
  105   1HE   LYS  13          2HE       LYS  13   9.135  -6.750  -8.588
  106   2HE   LYS  13          1HE       LYS  13   8.938  -8.487  -8.351
  107   1HZ   LYS  13          1HZ       LYS  13   7.107  -8.002  -9.544
  108   2HZ   LYS  13          2HZ       LYS  13   6.943  -6.514  -8.980
  109   3HZ   LYS  13          3HZ       LYS  13   6.489  -7.761  -8.087
  110    H    LYS  14           H        LYS  14   7.579  -5.888  -4.448
  111    HA   LYS  14           HA       LYS  14   9.696  -6.464  -2.457
  112   1HB   LYS  14          2HB       LYS  14   9.957  -5.427  -5.105
  113   2HB   LYS  14          1HB       LYS  14  10.369  -4.140  -3.971
  114   1HG   LYS  14          2HG       LYS  14  12.337  -5.554  -4.546
  115   2HG   LYS  14          1HG       LYS  14  11.953  -5.601  -2.824
  116   1HD   LYS  14          2HD       LYS  14  10.938  -7.747  -3.002
  117   2HD   LYS  14          1HD       LYS  14  10.883  -7.658  -4.763
  118   1HE   LYS  14          2HE       LYS  14  13.499  -7.424  -4.536
  119   2HE   LYS  14          1HE       LYS  14  13.230  -8.179  -2.965
  120   1HZ   LYS  14          1HZ       LYS  14  12.345 -10.031  -3.988
  121   2HZ   LYS  14          2HZ       LYS  14  13.603  -9.684  -4.913
  122   3HZ   LYS  14          3HZ       LYS  14  12.125  -9.311  -5.401
  123    H    VAL  15           H        VAL  15   9.271  -5.495  -0.564
  124    HA   VAL  15           HA       VAL  15   8.769  -2.659  -0.678
  125    HB   VAL  15           HB       VAL  15   6.571  -4.436   0.308
  126   1HG1  VAL  15          1HG1      VAL  15   5.629  -2.628   1.537
  127   2HG1  VAL  15          2HG1      VAL  15   6.836  -1.496   0.942
  128   3HG1  VAL  15          3HG1      VAL  15   7.295  -2.745   2.102
  129   1HG2  VAL  15          1HG2      VAL  15   5.467  -2.350  -0.925
  130   2HG2  VAL  15          2HG2      VAL  15   6.100  -3.728  -1.826
  131   3HG2  VAL  15          3HG2      VAL  15   7.066  -2.263  -1.662
  132    H    ARG  16           H        ARG  16   9.266  -1.563   1.183
  133    HA   ARG  16           HA       ARG  16  10.593  -3.177   3.273
  134   1HB   ARG  16          2HB       ARG  16  12.260  -2.135   1.822
  135   2HB   ARG  16          1HB       ARG  16  11.450  -0.585   1.958
  136   1HG   ARG  16          2HG       ARG  16  13.213  -0.436   3.518
  137   2HG   ARG  16          1HG       ARG  16  11.798  -0.824   4.496
  138   1HD   ARG  16          2HD       ARG  16  13.774  -2.199   5.114
  139   2HD   ARG  16          1HD       ARG  16  12.434  -3.188   4.530
  140    HE   ARG  16           HE       ARG  16  13.877  -2.769   2.275
  141   1HH1  ARG  16          1HH2      ARG  16  14.623  -3.787   5.496
  142   2HH1  ARG  16          2HH2      ARG  16  15.931  -4.806   5.002
  143   1HH2  ARG  16          1HH1      ARG  16  15.574  -4.099   1.630
  144   2HH2  ARG  16          2HH1      ARG  16  16.468  -4.985   2.820
  145    H    GLN  17           H        GLN  17   9.884  -2.709   5.266
  146    HA   GLN  17           HA       GLN  17   8.714  -0.037   5.654
  147   1HB   GLN  17          2HB       GLN  17   6.819  -0.984   6.814
  148   2HB   GLN  17          1HB       GLN  17   6.930  -1.792   5.263
  149   1HG   GLN  17          2HG       GLN  17   8.546  -3.270   6.959
  150   2HG   GLN  17          1HG       GLN  17   7.130  -2.882   7.924
  151   1HE2  GLN  17          1HE2      GLN  17   5.054  -3.719   7.218
  152   2HE2  GLN  17          2HE2      GLN  17   4.937  -4.914   6.020
  153    H    LYS  18           H        LYS  18   9.366   0.831   7.542
  154    HA   LYS  18           HA       LYS  18  11.651   0.323   8.757
  155   1HB   LYS  18          2HB       LYS  18   9.176   1.556   9.715
  156   2HB   LYS  18          1HB       LYS  18  10.201   0.956  11.020
  157   1HG   LYS  18          2HG       LYS  18  11.169   3.028  10.728
  158   2HG   LYS  18          1HG       LYS  18  12.105   2.116   9.543
  159   1HD   LYS  18          2HD       LYS  18  10.521   2.802   7.771
  160   2HD   LYS  18          1HD       LYS  18   9.609   3.736   8.958
  161   1HE   LYS  18          2HE       LYS  18  12.491   4.326   8.945
  162   2HE   LYS  18          1HE       LYS  18  11.674   4.730   7.436
  163   1HZ   LYS  18          1HZ       LYS  18  11.364   5.897  10.013
  164   2HZ   LYS  18          2HZ       LYS  18   9.989   5.651   9.231
  165   3HZ   LYS  18          3HZ       LYS  18  11.137   6.548   8.568
  166    H    LYS  19           H        LYS  19   8.864  -1.771   9.246
  167    HA   LYS  19           HA       LYS  19  10.098  -3.071  11.518
  168   1HB   LYS  19          2HB       LYS  19   8.091  -4.169  11.745
  169   2HB   LYS  19          1HB       LYS  19   7.505  -2.899  10.683
  170   1HG   LYS  19          2HG       LYS  19   7.659  -4.368   8.733
  171   2HG   LYS  19          1HG       LYS  19   8.513  -5.587   9.663
  172   1HD   LYS  19          2HD       LYS  19   5.953  -5.830   9.149
  173   2HD   LYS  19          1HD       LYS  19   6.577  -6.282  10.742
  174   1HE   LYS  19          2HE       LYS  19   5.654  -3.460  10.265
  175   2HE   LYS  19          1HE       LYS  19   4.462  -4.723  10.573
  176   1HZ   LYS  19          1HZ       LYS  19   4.970  -4.539  12.684
  177   2HZ   LYS  19          2HZ       LYS  19   6.109  -3.452  12.396
  178   3HZ   LYS  19          3HZ       LYS  19   6.475  -5.010  12.403
  179    H    GLN  20           H        GLN  20   9.307  -4.038   8.242
  180    HA   GLN  20           HA       GLN  20  11.694  -5.687   8.031
  181   1HB   GLN  20          2HB       GLN  20   8.890  -6.680   8.231
  182   2HB   GLN  20          1HB       GLN  20  10.015  -7.525   7.163
  183   1HG   GLN  20          2HG       GLN  20  11.352  -6.894   9.601
  184   2HG   GLN  20          1HG       GLN  20   9.837  -7.709   9.992
  185   1HE2  GLN  20          1HE2      GLN  20  12.954  -8.493   9.628
  186   2HE2  GLN  20          2HE2      GLN  20  12.828 -10.004   8.865
  187    H    ASP  21           H        ASP  21  11.791  -6.721   5.812
  188    HA   ASP  21           HA       ASP  21  10.619  -4.832   3.878
  189   1HB   ASP  21          2HB       ASP  21  12.417  -6.444   2.489
  190   2HB   ASP  21          1HB       ASP  21  12.781  -4.815   3.052
  191    H    GLY  22           H        GLY  22   9.167  -5.775   2.510
  192   1HA   GLY  22          2HA       GLY  22   8.869  -8.624   2.356
  193   2HA   GLY  22          1HA       GLY  22   7.659  -7.845   3.351
  194    H    ALA  23           H        ALA  23   6.917  -9.130   0.955
  195    HA   ALA  23           HA       ALA  23   6.653  -7.084  -1.024
  196   1HB   ALA  23          1HB       ALA  23   5.122  -8.894  -2.050
  197   2HB   ALA  23          2HB       ALA  23   5.678  -9.921  -0.729
  198   3HB   ALA  23          3HB       ALA  23   6.834  -9.284  -1.896
  199    H    LEU  24           H        LEU  24   5.043  -5.898  -1.358
  200    HA   LEU  24           HA       LEU  24   2.832  -5.883   0.610
  201   1HB   LEU  24          2HB       LEU  24   4.531  -3.908  -0.522
  202   2HB   LEU  24          1HB       LEU  24   2.893  -3.520  -1.007
  203    HG   LEU  24           HG       LEU  24   4.034  -3.798   1.761
  204   1HD1  LEU  24          1HD1      LEU  24   2.369  -1.589   1.577
  205   2HD1  LEU  24          2HD1      LEU  24   3.050  -1.691  -0.044
  206   3HD1  LEU  24          3HD1      LEU  24   4.118  -1.557   1.348
  207   1HD2  LEU  24          1HD2      LEU  24   2.047  -4.946   2.132
  208   2HD2  LEU  24          2HD2      LEU  24   1.208  -4.132   0.811
  209   3HD2  LEU  24          3HD2      LEU  24   1.498  -3.282   2.330
  210    H    TYR  25           H        TYR  25   0.768  -6.114   0.008
  211    HA   TYR  25           HA       TYR  25   0.138  -6.383  -2.879
  212   1HB   TYR  25          2HB       TYR  25  -0.767  -7.741  -0.373
  213   2HB   TYR  25          1HB       TYR  25  -1.977  -7.468  -1.622
  214    HD1  TYR  25           HD1      TYR  25  -1.968  -8.682  -3.657
  215    HD2  TYR  25           HD2      TYR  25   1.275  -9.082  -0.877
  216    HE1  TYR  25           HE1      TYR  25  -1.155 -10.681  -4.891
  217    HE2  TYR  25           HE2      TYR  25   2.104 -11.064  -2.111
  218    HH   TYR  25           HH       TYR  25   0.872 -12.878  -3.700
  219    H    LEU  26           H        LEU  26  -1.557  -4.886  -3.650
  220    HA   LEU  26           HA       LEU  26  -2.702  -3.278  -1.475
  221   1HB   LEU  26          2HB       LEU  26  -1.176  -1.939  -2.833
  222   2HB   LEU  26          1HB       LEU  26  -1.930  -2.530  -4.315
  223    HG   LEU  26           HG       LEU  26  -3.693  -1.242  -2.279
  224   1HD1  LEU  26          1HD1      LEU  26  -2.477   0.664  -2.276
  225   2HD1  LEU  26          2HD1      LEU  26  -2.917   0.835  -3.975
  226   3HD1  LEU  26          3HD1      LEU  26  -1.398   0.057  -3.531
  227   1HD2  LEU  26          1HD2      LEU  26  -4.826  -2.041  -4.186
  228   2HD2  LEU  26          2HD2      LEU  26  -3.534  -1.538  -5.275
  229   3HD2  LEU  26          3HD2      LEU  26  -4.593  -0.332  -4.547
  230    H    MET  27           H        MET  27  -4.935  -3.151  -1.532
  231    HA   MET  27           HA       MET  27  -6.299  -4.373  -3.844
  232   1HB   MET  27          2HB       MET  27  -6.107  -5.832  -1.702
  233   2HB   MET  27          1HB       MET  27  -7.226  -4.672  -0.988
  234   1HG   MET  27          2HG       MET  27  -8.982  -5.344  -2.301
  235   2HG   MET  27          1HG       MET  27  -7.941  -5.770  -3.658
  236   1HE   MET  27          1HE       MET  27  -9.983  -7.182  -3.471
  237   2HE   MET  27          2HE       MET  27 -10.338  -8.345  -2.196
  238   3HE   MET  27          3HE       MET  27  -9.392  -8.845  -3.596
  239    H    ALA  28           H        ALA  28  -8.204  -3.243  -4.400
  240    HA   ALA  28           HA       ALA  28  -8.441  -0.562  -3.952
  241   1HB   ALA  28          1HB       ALA  28 -10.422  -2.725  -4.551
  242   2HB   ALA  28          2HB       ALA  28  -9.986  -1.305  -5.506
  243   3HB   ALA  28          3HB       ALA  28 -11.050  -1.135  -4.110
  244    H    GLU  29           H        GLU  29 -10.276  -2.996  -2.149
  245    HA   GLU  29           HA       GLU  29 -10.987  -1.044  -0.170
  246   1HB   GLU  29          2HB       GLU  29 -12.478  -2.884  -0.951
  247   2HB   GLU  29          1HB       GLU  29 -11.422  -4.026  -0.121
  248   1HG   GLU  29          2HG       GLU  29 -12.662  -3.669   1.729
  249   2HG   GLU  29          1HG       GLU  29 -11.952  -2.057   1.794
  250    H    ARG  30           H        ARG  30  -8.153  -3.070  -0.347
  251    HA   ARG  30           HA       ARG  30  -7.587  -2.226   2.358
  252   1HB   ARG  30          2HB       ARG  30  -7.396  -4.352   3.382
  253   2HB   ARG  30          1HB       ARG  30  -8.968  -4.348   2.601
  254   1HG   ARG  30          2HG       ARG  30  -6.968  -5.261   0.752
  255   2HG   ARG  30          1HG       ARG  30  -6.843  -6.172   2.257
  256   1HD   ARG  30          2HD       ARG  30  -8.456  -7.363   0.980
  257   2HD   ARG  30          1HD       ARG  30  -9.406  -6.410   2.115
  258    HE   ARG  30           HE       ARG  30  -9.110  -4.812  -0.130
  259   1HH1  ARG  30          1HH2      ARG  30 -10.258  -7.990   0.610
  260   2HH1  ARG  30          2HH2      ARG  30 -11.464  -7.985  -0.632
  261   1HH2  ARG  30          1HH1      ARG  30 -10.692  -4.798  -1.751
  262   2HH2  ARG  30          2HH1      ARG  30 -11.711  -6.182  -1.964
  263    H    ILE  31           H        ILE  31  -5.460  -2.858   3.064
  264    HA   ILE  31           HA       ILE  31  -3.649  -3.241   0.746
  265    HB   ILE  31           HB       ILE  31  -3.583  -1.407   3.061
  266   1HG1  ILE  31          2HG1      ILE  31  -2.329  -1.609   0.314
  267   2HG1  ILE  31          1HG1      ILE  31  -3.625  -0.539   0.839
  268   1HG2  ILE  31          1HG2      ILE  31  -0.976  -2.709   2.194
  269   2HG2  ILE  31          2HG2      ILE  31  -1.804  -3.122   3.694
  270   3HG2  ILE  31          3HG2      ILE  31  -1.197  -1.486   3.445
  271   1HD1  ILE  31          1HD1      ILE  31  -0.745  -0.446   1.770
  272   2HD1  ILE  31          2HD1      ILE  31  -2.034   0.593   2.379
  273   3HD1  ILE  31          3HD1      ILE  31  -1.526   0.712   0.694
  274    H    ALA  32           H        ALA  32  -2.445  -5.077   0.730
  275    HA   ALA  32           HA       ALA  32  -2.417  -6.684   3.217
  276   1HB   ALA  32          1HB       ALA  32  -2.903  -7.343   0.390
  277   2HB   ALA  32          2HB       ALA  32  -3.433  -8.182   1.848
  278   3HB   ALA  32          3HB       ALA  32  -1.804  -8.443   1.223
  279    H    TRP  33           H        TRP  33  -0.514  -7.908   3.676
  280    HA   TRP  33           HA       TRP  33   1.892  -6.982   2.241
  281   1HB   TRP  33          2HB       TRP  33   1.612  -5.631   4.306
  282   2HB   TRP  33          1HB       TRP  33   1.593  -7.127   5.245
  283    HD1  TRP  33           HD1      TRP  33   3.829  -6.037   2.308
  284    HE1  TRP  33           HE1      TRP  33   6.270  -6.247   3.086
  285    HE3  TRP  33           HE3      TRP  33   3.229  -7.707   7.109
  286    HZ2  TRP  33           HZ2      TRP  33   7.782  -6.980   5.252
  287    HZ3  TRP  33           HZ3      TRP  33   5.228  -8.207   8.479
  288    HH2  TRP  33           HH2      TRP  33   7.512  -7.866   7.547
  289    H    ALA  34           H        ALA  34   3.436  -8.585   2.077
  290    HA   ALA  34           HA       ALA  34   3.169 -10.954   3.749
  291   1HB   ALA  34          1HB       ALA  34   2.552 -12.434   2.168
  292   2HB   ALA  34          2HB       ALA  34   3.417 -11.588   0.883
  293   3HB   ALA  34          3HB       ALA  34   1.839 -11.007   1.417
  294    HA   PRO  35           HA       PRO  35   7.441 -10.987   2.593
  295   1HB   PRO  35          2HB       PRO  35   8.187 -12.239   5.051
  296   2HB   PRO  35          1HB       PRO  35   8.283 -10.517   4.656
  297   1HG   PRO  35          2HG       PRO  35   6.460 -11.810   6.471
  298   2HG   PRO  35          1HG       PRO  35   6.567 -10.089   6.078
  299   1HD   PRO  35          2HD       PRO  35   4.555 -11.985   5.243
  300   2HD   PRO  35          1HD       PRO  35   4.626 -10.245   4.911
  301    H    GLU  36           H        GLU  36   6.306 -13.789   4.522
  302    HA   GLU  36           HA       GLU  36   6.860 -15.604   2.341
  303   1HB   GLU  36          2HB       GLU  36   8.927 -15.041   4.227
  304   2HB   GLU  36          1HB       GLU  36   8.326 -16.666   4.560
  305   1HG   GLU  36          2HG       GLU  36   8.762 -15.942   1.701
  306   2HG   GLU  36          1HG       GLU  36  10.197 -16.201   2.694
  307    H    GLY  37           H        GLY  37   4.678 -16.283   2.636
  308   1HA   GLY  37          2HA       GLY  37   4.298 -18.040   4.939
  309   2HA   GLY  37          1HA       GLY  37   3.167 -16.695   4.797
  310    H    LYS  38           H        LYS  38   1.599 -18.579   4.605
  311    HA   LYS  38           HA       LYS  38   1.577 -19.671   1.859
  312   1HB   LYS  38          2HB       LYS  38   0.230 -20.596   4.407
  313   2HB   LYS  38          1HB       LYS  38  -0.087 -21.300   2.821
  314   1HG   LYS  38          2HG       LYS  38   1.629 -22.699   3.324
  315   2HG   LYS  38          1HG       LYS  38   2.658 -21.329   2.903
  316   1HD   LYS  38          2HD       LYS  38   3.244 -20.947   5.065
  317   2HD   LYS  38          1HD       LYS  38   1.611 -21.253   5.658
  318   1HE   LYS  38          2HE       LYS  38   2.467 -23.189   6.472
  319   2HE   LYS  38          1HE       LYS  38   2.395 -23.752   4.802
  320   1HZ   LYS  38          1HZ       LYS  38   4.588 -23.535   4.596
  321   2HZ   LYS  38          2HZ       LYS  38   4.611 -23.663   6.191
  322   3HZ   LYS  38          3HZ       LYS  38   4.697 -22.221   5.505
  323    H    ASP  39           H        ASP  39  -0.080 -17.556   4.040
  324    HA   ASP  39           HA       ASP  39  -2.560 -17.603   2.625
  325   1HB   ASP  39          2HB       ASP  39  -1.588 -16.449   5.008
  326   2HB   ASP  39          1HB       ASP  39  -1.990 -15.090   3.957
  327    H    ARG  40           H        ARG  40  -3.234 -15.827   1.241
  328    HA   ARG  40           HA       ARG  40  -1.525 -15.241  -0.825
  329   1HB   ARG  40          2HB       ARG  40  -3.941 -13.781   0.210
  330   2HB   ARG  40          1HB       ARG  40  -3.041 -13.176  -1.178
  331   1HG   ARG  40          2HG       ARG  40  -4.881 -14.591  -1.951
  332   2HG   ARG  40          1HG       ARG  40  -3.339 -15.370  -2.305
  333   1HD   ARG  40          2HD       ARG  40  -3.559 -16.792  -0.335
  334   2HD   ARG  40          1HD       ARG  40  -5.043 -15.962   0.132
  335    HE   ARG  40           HE       ARG  40  -5.566 -16.859  -2.397
  336   1HH1  ARG  40          1HH2      ARG  40  -4.400 -18.234   0.552
  337   2HH1  ARG  40          2HH2      ARG  40  -5.095 -19.791   0.249
  338   1HH2  ARG  40          1HH1      ARG  40  -6.473 -18.887  -2.799
  339   2HH2  ARG  40          2HH1      ARG  40  -6.266 -20.160  -1.644
  340    H    PHE  41           H        PHE  41  -1.774 -13.799   2.257
  341    HA   PHE  41           HA       PHE  41   0.729 -12.473   1.860
  342   1HB   PHE  41          2HB       PHE  41  -0.837 -10.360   2.905
  343   2HB   PHE  41          1HB       PHE  41   0.042 -10.397   1.382
  344    HD1  PHE  41           HD1      PHE  41  -3.215 -10.827   3.009
  345    HD2  PHE  41           HD2      PHE  41  -1.083 -10.933  -0.716
  346    HE1  PHE  41           HE1      PHE  41  -5.372 -10.787   1.770
  347    HE2  PHE  41           HE2      PHE  41  -3.230 -10.891  -1.955
  348    HZ   PHE  41           HZ       PHE  41  -5.374 -10.819  -0.714
  349    H    THR  42           H        THR  42   0.965 -10.918   3.969
  350    HA   THR  42           HA       THR  42   0.574 -12.767   6.187
  351    HB   THR  42           HB       THR  42   2.787 -11.526   5.491
  352    HG1  THR  42           HG1      THR  42   1.708 -11.936   8.046
  353   1HG2  THR  42          1HG2      THR  42   3.006  -9.337   5.880
  354   2HG2  THR  42          2HG2      THR  42   2.248  -9.460   7.469
  355   3HG2  THR  42          3HG2      THR  42   1.260  -9.274   6.033
  356    H    ILE  43           H        ILE  43  -0.351  -9.491   5.206
  357    HA   ILE  43           HA       ILE  43  -2.481  -9.633   7.232
  358    HB   ILE  43           HB       ILE  43  -1.742  -7.974   8.550
  359   1HG1  ILE  43          2HG1      ILE  43  -2.510  -6.273   6.933
  360   2HG1  ILE  43          1HG1      ILE  43  -1.027  -5.760   7.730
  361   1HG2  ILE  43          1HG2      ILE  43   0.572  -7.628   8.684
  362   2HG2  ILE  43          2HG2      ILE  43   0.788  -7.752   6.940
  363   3HG2  ILE  43          3HG2      ILE  43   0.429  -9.194   7.891
  364   1HD1  ILE  43          1HD1      ILE  43  -0.007  -5.560   5.736
  365   2HD1  ILE  43          2HD1      ILE  43  -1.502  -6.047   4.935
  366   3HD1  ILE  43          3HD1      ILE  43  -0.319  -7.266   5.404
  367    H    SER  44           H        SER  44  -4.042  -7.669   6.906
  368    HA   SER  44           HA       SER  44  -4.117  -6.547   4.266
  369   1HB   SER  44          2HB       SER  44  -6.572  -7.749   4.211
  370   2HB   SER  44          1HB       SER  44  -5.162  -8.356   3.348
  371    HG   SER  44           HG       SER  44  -6.209  -9.923   4.718
  372    H    HIS  45           H        HIS  45  -4.810  -4.505   4.863
  373    HA   HIS  45           HA       HIS  45  -6.748  -4.347   7.099
  374   1HB   HIS  45          2HB       HIS  45  -5.594  -1.837   6.208
  375   2HB   HIS  45          1HB       HIS  45  -5.655  -2.514   7.837
  376    HD1  HIS  45           HD1      HIS  45  -3.482  -3.455   8.734
  377    HD2  HIS  45           HD2      HIS  45  -3.403  -2.890   4.615
  378    HE1  HIS  45           HE1      HIS  45  -1.099  -3.913   8.002
  379    H    MET  46           H        MET  46  -8.743  -3.734   6.613
  380    HA   MET  46           HA       MET  46  -9.475  -3.047   3.926
  381   1HB   MET  46          2HB       MET  46 -10.845  -3.619   6.429
  382   2HB   MET  46          1HB       MET  46 -11.571  -2.238   5.610
  383   1HG   MET  46          2HG       MET  46 -11.917  -3.510   3.599
  384   2HG   MET  46          1HG       MET  46 -10.951  -4.851   4.213
  385   1HE   MET  46          1HE       MET  46 -14.953  -5.585   3.928
  386   2HE   MET  46          2HE       MET  46 -13.448  -5.600   3.012
  387   3HE   MET  46          3HE       MET  46 -14.295  -4.078   3.276
  388    H    TYR  47           H        TYR  47  -8.807  -1.136   3.130
  389    HA   TYR  47           HA       TYR  47  -7.878   1.062   4.354
  390   1HB   TYR  47          2HB       TYR  47  -9.387   0.679   1.809
  391   2HB   TYR  47          1HB       TYR  47  -9.206   2.336   2.383
  392    HD1  TYR  47           HD1      TYR  47  -8.028   1.178  -0.153
  393    HD2  TYR  47           HD2      TYR  47  -6.361   1.521   3.795
  394    HE1  TYR  47           HE1      TYR  47  -5.769   1.281  -1.097
  395    HE2  TYR  47           HE2      TYR  47  -4.105   1.618   2.828
  396    HH   TYR  47           HH       TYR  47  -3.025   2.177   0.727
  397    H    ALA  48           H        ALA  48 -11.360   0.382   3.974
  398    HA   ALA  48           HA       ALA  48 -12.163   2.883   5.137
  399   1HB   ALA  48          1HB       ALA  48 -13.573   0.203   4.948
  400   2HB   ALA  48          2HB       ALA  48 -13.779   1.584   3.870
  401   3HB   ALA  48          3HB       ALA  48 -14.335   1.679   5.541
  402    H    ASP  49           H        ASP  49 -11.701  -0.340   6.350
  403    HA   ASP  49           HA       ASP  49 -12.366  -0.054   9.028
  404   1HB   ASP  49          2HB       ASP  49 -10.076  -1.605   7.793
  405   2HB   ASP  49          1HB       ASP  49 -10.497  -1.714   9.503
  406    H    ILE  50           H        ILE  50  -9.604   1.090   7.276
  407    HA   ILE  50           HA       ILE  50  -8.598   2.251   9.779
  408    HB   ILE  50           HB       ILE  50  -6.511   2.533   8.454
  409   1HG1  ILE  50          2HG1      ILE  50  -6.490   1.024   6.332
  410   2HG1  ILE  50          1HG1      ILE  50  -8.220   1.302   6.314
  411   1HG2  ILE  50          1HG2      ILE  50  -7.447  -0.305   8.208
  412   2HG2  ILE  50          2HG2      ILE  50  -7.253   0.438   9.794
  413   3HG2  ILE  50          3HG2      ILE  50  -5.868   0.294   8.712
  414   1HD1  ILE  50          1HD1      ILE  50  -7.978   3.591   5.906
  415   2HD1  ILE  50          2HD1      ILE  50  -6.633   2.918   5.003
  416   3HD1  ILE  50          3HD1      ILE  50  -6.356   3.637   6.588
  417    H    LYS  51           H        LYS  51  -7.953   4.598   9.778
  418    HA   LYS  51           HA       LYS  51  -8.819   6.010   7.374
  419   1HB   LYS  51          2HB       LYS  51 -10.816   6.147   8.697
  420   2HB   LYS  51          1HB       LYS  51  -9.894   6.602  10.128
  421   1HG   LYS  51          2HG       LYS  51 -10.967   8.556   8.867
  422   2HG   LYS  51          1HG       LYS  51  -9.232   8.682   9.172
  423   1HD   LYS  51          2HD       LYS  51  -8.654   8.172   6.958
  424   2HD   LYS  51          1HD       LYS  51 -10.241   7.483   6.610
  425   1HE   LYS  51          2HE       LYS  51 -11.127   9.505   6.088
  426   2HE   LYS  51          1HE       LYS  51 -10.378  10.279   7.483
  427   1HZ   LYS  51          1HZ       LYS  51  -9.581  10.924   5.195
  428   2HZ   LYS  51          2HZ       LYS  51  -8.791   9.533   5.176
  429   3HZ   LYS  51          3HZ       LYS  51  -8.461  10.624   6.299
  430    H    CYS  52           H        CYS  52  -6.908   6.833   6.947
  431    HA   CYS  52           HA       CYS  52  -6.002   9.159   8.025
  432   1HB   CYS  52          2HB       CYS  52  -5.052   6.815   9.430
  433   2HB   CYS  52          1HB       CYS  52  -3.741   7.831   8.847
  434    HG   CYS  52           HG       CYS  52  -5.403   8.497  11.220
  435    H    GLN  53           H        GLN  53  -4.822   9.969   6.309
  436    HA   GLN  53           HA       GLN  53  -3.196   8.009   4.840
  437   1HB   GLN  53          2HB       GLN  53  -5.545   9.528   3.788
  438   2HB   GLN  53          1HB       GLN  53  -4.175   9.241   2.712
  439   1HG   GLN  53          2HG       GLN  53  -5.293   6.974   4.336
  440   2HG   GLN  53          1HG       GLN  53  -6.092   7.460   2.843
  441   1HE2  GLN  53          1HE2      GLN  53  -5.421   5.408   1.815
  442   2HE2  GLN  53          2HE2      GLN  53  -3.815   5.181   1.316
  443    H    LYS  54           H        LYS  54  -1.275   8.796   4.449
  444    HA   LYS  54           HA       LYS  54  -0.933  11.671   3.938
  445   1HB   LYS  54          2HB       LYS  54  -0.275  11.785   6.150
  446   2HB   LYS  54          1HB       LYS  54   0.105  10.064   6.229
  447   1HG   LYS  54          2HG       LYS  54   2.263  10.368   5.513
  448   2HG   LYS  54          1HG       LYS  54   1.843  11.734   4.476
  449   1HD   LYS  54          2HD       LYS  54   1.310  12.510   7.167
  450   2HD   LYS  54          1HD       LYS  54   2.919  11.788   7.133
  451   1HE   LYS  54          2HE       LYS  54   3.486  13.259   5.189
  452   2HE   LYS  54          1HE       LYS  54   1.917  14.042   5.369
  453   1HZ   LYS  54          1HZ       LYS  54   4.190  14.133   7.151
  454   2HZ   LYS  54          2HZ       LYS  54   2.724  14.351   7.753
  455   3HZ   LYS  54          3HZ       LYS  54   3.278  15.339   6.623
  456    H    ILE  55           H        ILE  55  -0.043  11.598   1.908
  457    HA   ILE  55           HA       ILE  55   2.133   9.636   1.476
  458    HB   ILE  55           HB       ILE  55  -0.225  10.358  -0.250
  459   1HG1  ILE  55          2HG1      ILE  55  -0.242   7.956  -0.662
  460   2HG1  ILE  55          1HG1      ILE  55   1.301   7.773   0.172
  461   1HG2  ILE  55          1HG2      ILE  55   1.885  10.909  -1.549
  462   2HG2  ILE  55          2HG2      ILE  55   0.889   9.643  -2.258
  463   3HG2  ILE  55          3HG2      ILE  55   2.347   9.217  -1.369
  464   1HD1  ILE  55          1HD1      ILE  55  -1.094   7.418   1.386
  465   2HD1  ILE  55          2HD1      ILE  55  -0.833   9.131   1.707
  466   3HD1  ILE  55          3HD1      ILE  55   0.358   7.943   2.236
  467    H    SER  56           H        SER  56   3.861  11.008   1.707
  468    HA   SER  56           HA       SER  56   3.795  13.454   0.051
  469   1HB   SER  56          2HB       SER  56   4.579  12.996   2.834
  470   2HB   SER  56          1HB       SER  56   5.784  13.880   1.901
  471    HG   SER  56           HG       SER  56   4.398  15.487   1.610
  472    HA   PRO  57           HA       PRO  57   7.721  10.846  -0.534
  473   1HB   PRO  57          2HB       PRO  57   6.873   9.212  -2.723
  474   2HB   PRO  57          1HB       PRO  57   7.468   8.732  -1.136
  475   1HG   PRO  57          2HG       PRO  57   4.780   8.588  -2.109
  476   2HG   PRO  57          1HG       PRO  57   5.385   8.031  -0.568
  477   1HD   PRO  57          2HD       PRO  57   3.771  10.350  -1.085
  478   2HD   PRO  57          1HD       PRO  57   4.401   9.786   0.471
  479    H    GLU  58           H        GLU  58   5.358  12.479  -2.326
  480    HA   GLU  58           HA       GLU  58   6.530  12.764  -4.827
  481   1HB   GLU  58          2HB       GLU  58   4.537  14.113  -3.288
  482   2HB   GLU  58          1HB       GLU  58   5.633  15.333  -3.938
  483   1HG   GLU  58          2HG       GLU  58   4.852  13.187  -5.827
  484   2HG   GLU  58          1HG       GLU  58   3.558  14.286  -5.348
  485    H    GLY  59           H        GLY  59   7.651  13.822  -1.689
  486   1HA   GLY  59          2HA       GLY  59  10.016  14.923  -3.004
  487   2HA   GLY  59          1HA       GLY  59   9.164  15.948  -1.848
  488    H    LYS  60           H        LYS  60   9.049  12.542  -1.161
  489    HA   LYS  60           HA       LYS  60  10.535  13.046   1.265
  490   1HB   LYS  60          2HB       LYS  60   9.274  10.503   0.190
  491   2HB   LYS  60          1HB       LYS  60  10.029  10.661   1.777
  492   1HG   LYS  60          2HG       LYS  60   8.124  12.810   1.252
  493   2HG   LYS  60          1HG       LYS  60   7.369  11.216   1.224
  494   1HD   LYS  60          2HD       LYS  60   8.757  10.813   3.409
  495   2HD   LYS  60          1HD       LYS  60   8.838  12.574   3.468
  496   1HE   LYS  60          2HE       LYS  60   6.143  11.691   2.859
  497   2HE   LYS  60          1HE       LYS  60   6.716  10.963   4.359
  498   1HZ   LYS  60          1HZ       LYS  60   7.051  13.799   3.850
  499   2HZ   LYS  60          2HZ       LYS  60   7.071  13.035   5.256
  500   3HZ   LYS  60          3HZ       LYS  60   5.688  13.239   4.477
  501    H    ALA  61           H        ALA  61  11.310   9.901   0.565
  502    HA   ALA  61           HA       ALA  61  13.928  10.751  -0.501
  503   1HB   ALA  61          1HB       ALA  61  13.937  10.075   1.911
  504   2HB   ALA  61          2HB       ALA  61  14.955   9.058   0.892
  505   3HB   ALA  61          3HB       ALA  61  13.376   8.477   1.419
  506    H    LYS  62           H        LYS  62  11.632   7.969  -0.305
  507    HA   LYS  62           HA       LYS  62  12.281   7.405  -3.065
  508   1HB   LYS  62          2HB       LYS  62  12.756   4.901  -2.187
  509   2HB   LYS  62          1HB       LYS  62  14.028   6.055  -2.549
  510   1HG   LYS  62          2HG       LYS  62  12.819   6.177   0.174
  511   2HG   LYS  62          1HG       LYS  62  13.844   4.786  -0.166
  512   1HD   LYS  62          2HD       LYS  62  14.914   7.406  -0.993
  513   2HD   LYS  62          1HD       LYS  62  14.720   7.171   0.746
  514   1HE   LYS  62          2HE       LYS  62  16.725   6.107   0.641
  515   2HE   LYS  62          1HE       LYS  62  15.816   4.770  -0.064
  516   1HZ   LYS  62          1HZ       LYS  62  16.839   6.925  -1.716
  517   2HZ   LYS  62          2HZ       LYS  62  16.401   5.454  -2.167
  518   3HZ   LYS  62          3HZ       LYS  62  17.760   5.668  -1.351
  519    H    ILE  63           H        ILE  63   9.692   7.969  -1.861
  520    HA   ILE  63           HA       ILE  63   7.682   7.273  -2.036
  521    HB   ILE  63           HB       ILE  63   7.340   6.268  -3.904
  522   1HG1  ILE  63          2HG1      ILE  63   7.888   3.492  -3.098
  523   2HG1  ILE  63          1HG1      ILE  63   6.811   4.368  -2.020
  524   1HG2  ILE  63          1HG2      ILE  63   9.914   6.121  -4.162
  525   2HG2  ILE  63          2HG2      ILE  63   8.907   5.136  -5.205
  526   3HG2  ILE  63          3HG2      ILE  63   9.705   4.403  -3.813
  527   1HD1  ILE  63          1HD1      ILE  63   5.145   4.443  -3.515
  528   2HD1  ILE  63          2HD1      ILE  63   6.028   3.172  -4.358
  529   3HD1  ILE  63          3HD1      ILE  63   6.236   4.858  -4.836
  530    H    GLN  64           H        GLN  64   7.477   7.459  -0.071
  531    HA   GLN  64           HA       GLN  64   7.130   4.978   1.526
  532   1HB   GLN  64          2HB       GLN  64   8.068   5.928   3.408
  533   2HB   GLN  64          1HB       GLN  64   8.978   6.816   2.188
  534   1HG   GLN  64          2HG       GLN  64   7.255   8.628   2.304
  535   2HG   GLN  64          1HG       GLN  64   6.509   7.774   3.654
  536   1HE2  GLN  64          1HE2      GLN  64  10.018   8.126   2.984
  537   2HE2  GLN  64          2HE2      GLN  64  10.365   8.964   4.419
  538    H    LEU  65           H        LEU  65   5.043   4.766   2.421
  539    HA   LEU  65           HA       LEU  65   3.384   7.198   2.271
  540   1HB   LEU  65          2HB       LEU  65   1.440   5.780   1.591
  541   2HB   LEU  65          1HB       LEU  65   2.725   5.860   0.398
  542    HG   LEU  65           HG       LEU  65   1.710   3.570   0.798
  543   1HD1  LEU  65          1HD1      LEU  65   3.613   2.991  -0.222
  544   2HD1  LEU  65          2HD1      LEU  65   4.381   2.853   1.357
  545   3HD1  LEU  65          3HD1      LEU  65   4.447   4.378   0.475
  546   1HD2  LEU  65          1HD2      LEU  65   2.190   2.343   2.733
  547   2HD2  LEU  65          2HD2      LEU  65   1.753   3.931   3.359
  548   3HD2  LEU  65          3HD2      LEU  65   3.448   3.465   3.240
  549    H    GLN  66           H        GLN  66   1.425   7.081   3.745
  550    HA   GLN  66           HA       GLN  66   1.823   5.269   6.026
  551   1HB   GLN  66          2HB       GLN  66   2.971   7.729   6.112
  552   2HB   GLN  66          1HB       GLN  66   1.376   8.095   6.771
  553   1HG   GLN  66          2HG       GLN  66   1.622   6.369   8.464
  554   2HG   GLN  66          1HG       GLN  66   3.147   5.839   7.754
  555   1HE2  GLN  66          1HE2      GLN  66   1.714   8.092   9.964
  556   2HE2  GLN  66          2HE2      GLN  66   3.122   8.978  10.305
  557    H    LEU  67           H        LEU  67  -0.050   4.614   6.832
  558    HA   LEU  67           HA       LEU  67  -2.516   6.208   6.401
  559   1HB   LEU  67          2HB       LEU  67  -2.404   4.482   4.667
  560   2HB   LEU  67          1HB       LEU  67  -2.063   3.250   5.878
  561    HG   LEU  67           HG       LEU  67  -4.441   4.636   6.654
  562   1HD1  LEU  67          1HD1      LEU  67  -5.055   3.306   4.100
  563   2HD1  LEU  67          2HD1      LEU  67  -4.164   4.816   3.928
  564   3HD1  LEU  67          3HD1      LEU  67  -5.710   4.797   4.776
  565   1HD2  LEU  67          1HD2      LEU  67  -4.896   2.007   5.560
  566   2HD2  LEU  67          2HD2      LEU  67  -4.871   2.504   7.252
  567   3HD2  LEU  67          3HD2      LEU  67  -3.376   2.015   6.454
  568    H    VAL  68           H        VAL  68  -4.099   5.847   8.121
  569    HA   VAL  68           HA       VAL  68  -3.026   4.168  10.279
  570    HB   VAL  68           HB       VAL  68  -4.503   6.655  11.022
  571   1HG1  VAL  68          1HG1      VAL  68  -2.515   4.790  12.308
  572   2HG1  VAL  68          2HG1      VAL  68  -4.174   5.117  12.813
  573   3HG1  VAL  68          3HG1      VAL  68  -2.931   6.349  13.009
  574   1HG2  VAL  68          1HG2      VAL  68  -1.676   6.919  11.343
  575   2HG2  VAL  68          2HG2      VAL  68  -2.773   7.977  10.452
  576   3HG2  VAL  68          3HG2      VAL  68  -2.024   6.596   9.647
  577    H    LEU  69           H        LEU  69  -4.440   3.469  11.768
  578    HA   LEU  69           HA       LEU  69  -6.914   2.531  10.587
  579   1HB   LEU  69          2HB       LEU  69  -5.568   1.937  13.237
  580   2HB   LEU  69          1HB       LEU  69  -6.772   0.933  12.461
  581    HG   LEU  69           HG       LEU  69  -3.910   0.894  12.125
  582   1HD1  LEU  69          1HD1      LEU  69  -4.740  -1.210  12.040
  583   2HD1  LEU  69          2HD1      LEU  69  -4.712  -0.881  10.304
  584   3HD1  LEU  69          3HD1      LEU  69  -6.218  -0.706  11.217
  585   1HD2  LEU  69          1HD2      LEU  69  -4.078   0.719   9.515
  586   2HD2  LEU  69          2HD2      LEU  69  -3.753   2.262  10.300
  587   3HD2  LEU  69          3HD2      LEU  69  -5.379   1.883   9.736
  588    H    HIS  70           H        HIS  70  -9.016   2.921  11.546
  589    HA   HIS  70           HA       HIS  70  -9.578   5.378  12.694
  590   1HB   HIS  70          2HB       HIS  70 -10.915   2.682  13.138
  591   2HB   HIS  70          1HB       HIS  70 -11.570   4.190  13.770
  592    HD1  HIS  70           HD1      HIS  70 -11.607   6.140  11.633
  593    HD2  HIS  70           HD2      HIS  70 -12.119   2.108  10.744
  594    HE1  HIS  70           HE1      HIS  70 -12.763   6.028   9.380
  595    H    ALA  71           H        ALA  71  -8.412   2.423  13.987
  596    HA   ALA  71           HA       ALA  71  -8.460   3.181  16.772
  597   1HB   ALA  71          1HB       ALA  71  -8.437   0.784  15.750
  598   2HB   ALA  71          2HB       ALA  71  -7.462   1.088  17.188
  599   3HB   ALA  71          3HB       ALA  71  -6.698   1.035  15.599
  600    H    GLY  72           H        GLY  72  -5.745   2.308  17.358
  601   1HA   GLY  72          2HA       GLY  72  -4.331   4.738  16.494
  602   2HA   GLY  72          1HA       GLY  72  -4.053   3.885  18.014
  603    H    ASP  73           H        ASP  73  -4.279   2.868  14.712
  604    HA   ASP  73           HA       ASP  73  -1.545   1.741  14.958
  605   1HB   ASP  73          2HB       ASP  73  -2.890  -0.182  15.105
  606   2HB   ASP  73          1HB       ASP  73  -4.045   0.410  13.924
  607    H    THR  74           H        THR  74  -0.214   2.368  13.377
  608    HA   THR  74           HA       THR  74  -1.439   3.713  11.070
  609    HB   THR  74           HB       THR  74   1.422   3.957  11.972
  610    HG1  THR  74           HG1      THR  74   0.810   5.230  13.510
  611   1HG2  THR  74          1HG2      THR  74   1.210   4.882   9.838
  612   2HG2  THR  74          2HG2      THR  74   0.925   6.282  10.872
  613   3HG2  THR  74          3HG2      THR  74  -0.437   5.437  10.136
  614    H    THR  75           H        THR  75  -0.195   3.412   8.990
  615    HA   THR  75           HA       THR  75   1.141   0.800   8.974
  616    HB   THR  75           HB       THR  75  -0.636   1.849   6.757
  617    HG1  THR  75           HG1      THR  75  -1.449  -0.212   8.451
  618   1HG2  THR  75          1HG2      THR  75   0.456  -0.895   7.443
  619   2HG2  THR  75          2HG2      THR  75   1.025   0.151   6.141
  620   3HG2  THR  75          3HG2      THR  75  -0.600  -0.533   6.077
  621    H    ASN  76           H        ASN  76   3.251   1.363   8.442
  622    HA   ASN  76           HA       ASN  76   3.572   3.644   6.590
  623   1HB   ASN  76          2HB       ASN  76   5.604   2.411   8.483
  624   2HB   ASN  76          1HB       ASN  76   5.829   3.861   7.503
  625   1HD2  ASN  76          1HD2      ASN  76   3.508   2.600   9.975
  626   2HD2  ASN  76          2HD2      ASN  76   3.305   4.095  10.753
  627    H    PHE  77           H        PHE  77   4.582   3.157   4.604
  628    HA   PHE  77           HA       PHE  77   5.863   0.535   4.466
  629   1HB   PHE  77          2HB       PHE  77   3.205   1.024   3.544
  630   2HB   PHE  77          1HB       PHE  77   4.238   0.742   2.144
  631    HD1  PHE  77           HD1      PHE  77   6.298  -0.996   3.361
  632    HD2  PHE  77           HD2      PHE  77   2.029  -1.072   3.767
  633    HE1  PHE  77           HE1      PHE  77   6.401  -3.399   3.847
  634    HE2  PHE  77           HE2      PHE  77   2.126  -3.493   4.252
  635    HZ   PHE  77           HZ       PHE  77   4.343  -4.639   4.280
  636    H    HIS  78           H        HIS  78   7.362   0.375   2.926
  637    HA   HIS  78           HA       HIS  78   7.784   2.693   1.135
  638   1HB   HIS  78          2HB       HIS  78   9.096   2.894   3.322
  639   2HB   HIS  78          1HB       HIS  78  10.017   1.490   2.792
  640    HD1  HIS  78           HD1      HIS  78  11.434   1.753   0.606
  641    HD2  HIS  78           HD2      HIS  78   9.828   5.327   1.979
  642    HE1  HIS  78           HE1      HIS  78  12.499   3.616  -0.732
  643    H    PHE  79           H        PHE  79   9.429   2.274  -0.465
  644    HA   PHE  79           HA       PHE  79   9.755  -0.602  -1.163
  645   1HB   PHE  79          2HB       PHE  79   9.461   1.751  -3.052
  646   2HB   PHE  79          1HB       PHE  79   9.486   0.045  -3.481
  647    HD1  PHE  79           HD1      PHE  79   7.541   2.592  -1.516
  648    HD2  PHE  79           HD2      PHE  79   7.469  -1.209  -3.537
  649    HE1  PHE  79           HE1      PHE  79   5.060   2.505  -1.282
  650    HE2  PHE  79           HE2      PHE  79   5.023  -1.279  -3.288
  651    HZ   PHE  79           HZ       PHE  79   3.826   0.533  -2.157
  652    H    SER  80           H        SER  80  12.190  -1.027  -1.478
  653    HA   SER  80           HA       SER  80  13.780   0.950  -2.494
  654   1HB   SER  80          2HB       SER  80  13.761   2.422  -0.777
  655   2HB   SER  80          1HB       SER  80  13.299   1.204   0.412
  656    HG   SER  80           HG       SER  80  15.595   2.170   0.297
  657    H    ASN  81           H        ASN  81  13.381  -1.919  -0.604
  658    HA   ASN  81           HA       ASN  81  15.672  -2.935   0.158
  659   1HB   ASN  81          2HB       ASN  81  14.893  -5.020  -1.514
  660   2HB   ASN  81          1HB       ASN  81  14.354  -4.750   0.140
  661   1HD2  ASN  81          1HD2      ASN  81  13.535  -2.860  -2.813
  662   2HD2  ASN  81          2HD2      ASN  81  11.864  -3.128  -2.696
  663    H    GLU  82           H        GLU  82  15.182  -4.133  -3.138
  664    HA   GLU  82           HA       GLU  82  17.965  -4.101  -3.640
  665   1HB   GLU  82          2HB       GLU  82  17.188  -4.286  -6.087
  666   2HB   GLU  82          1HB       GLU  82  16.641  -5.555  -4.991
  667   1HG   GLU  82          2HG       GLU  82  14.466  -4.919  -5.144
  668   2HG   GLU  82          1HG       GLU  82  14.870  -3.202  -5.089
  669    H    SER  83           H        SER  83  16.591  -2.477  -6.311
  670    HA   SER  83           HA       SER  83  17.013   0.173  -5.234
  671   1HB   SER  83          2HB       SER  83  18.667   0.742  -6.950
  672   2HB   SER  83          1HB       SER  83  19.292  -0.589  -5.981
  673    HG   SER  83           HG       SER  83  19.201  -0.620  -8.492
  674    H    THR  84           H        THR  84  14.724   0.311  -5.751
  675    HA   THR  84           HA       THR  84  14.224   0.581  -8.615
  676    HB   THR  84           HB       THR  84  13.640  -1.731  -8.266
  677    HG1  THR  84           HG1      THR  84  11.879  -1.249  -9.267
  678   1HG2  THR  84          1HG2      THR  84  13.287  -0.886  -5.608
  679   2HG2  THR  84          2HG2      THR  84  13.119  -2.526  -6.234
  680   3HG2  THR  84          3HG2      THR  84  11.710  -1.472  -6.133
  681    H    ALA  85           H        ALA  85  14.125   1.993  -5.714
  682    HA   ALA  85           HA       ALA  85  11.410   2.756  -5.461
  683   1HB   ALA  85          1HB       ALA  85  13.880   4.250  -4.504
  684   2HB   ALA  85          2HB       ALA  85  13.098   2.943  -3.613
  685   3HB   ALA  85          3HB       ALA  85  12.234   4.452  -3.905
  686    H    VAL  86           H        VAL  86  11.016   3.168  -7.603
  687    HA   VAL  86           HA       VAL  86  11.354   5.970  -8.303
  688    HB   VAL  86           HB       VAL  86  12.202   5.536 -10.539
  689   1HG1  VAL  86          1HG1      VAL  86  14.429   4.660  -9.978
  690   2HG1  VAL  86          2HG1      VAL  86  13.797   3.982  -8.477
  691   3HG1  VAL  86          3HG1      VAL  86  13.854   5.731  -8.701
  692   1HG2  VAL  86          1HG2      VAL  86  11.360   2.820  -9.868
  693   2HG2  VAL  86          2HG2      VAL  86  12.991   2.861 -10.537
  694   3HG2  VAL  86          3HG2      VAL  86  11.645   3.542 -11.451
  695    H    LYS  87           H        LYS  87  10.446   5.190 -11.113
  696    HA   LYS  87           HA       LYS  87   7.800   5.724 -11.005
  697   1HB   LYS  87          2HB       LYS  87   9.410   5.110 -13.014
  698   2HB   LYS  87          1HB       LYS  87   8.625   3.537 -12.866
  699   1HG   LYS  87          2HG       LYS  87   7.265   4.726 -14.400
  700   2HG   LYS  87          1HG       LYS  87   6.404   4.849 -12.865
  701   1HD   LYS  87          2HD       LYS  87   6.490   7.090 -13.031
  702   2HD   LYS  87          1HD       LYS  87   8.249   7.003 -12.939
  703   1HE   LYS  87          2HE       LYS  87   6.704   6.610 -15.513
  704   2HE   LYS  87          1HE       LYS  87   7.353   8.168 -15.004
  705   1HZ   LYS  87          1HZ       LYS  87   9.496   7.315 -15.111
  706   2HZ   LYS  87          2HZ       LYS  87   8.803   6.795 -16.456
  707   3HZ   LYS  87          3HZ       LYS  87   9.016   5.793 -15.228
  708    H    GLU  88           H        GLU  88   9.056   2.365 -11.005
  709    HA   GLU  88           HA       GLU  88   6.805   0.886 -10.767
  710   1HB   GLU  88          2HB       GLU  88   8.220  -0.371  -8.877
  711   2HB   GLU  88          1HB       GLU  88   8.706  -0.416 -10.559
  712   1HG   GLU  88          2HG       GLU  88   9.763   1.956  -9.288
  713   2HG   GLU  88          1HG       GLU  88  10.230   0.509  -8.413
  714    H    ARG  89           H        ARG  89   8.471   1.742  -7.788
  715    HA   ARG  89           HA       ARG  89   6.260   1.388  -6.114
  716   1HB   ARG  89          2HB       ARG  89   8.374   3.430  -5.482
  717   2HB   ARG  89          1HB       ARG  89   7.620   2.249  -4.417
  718   1HG   ARG  89          2HG       ARG  89   9.719   1.736  -6.543
  719   2HG   ARG  89          1HG       ARG  89   9.852   1.454  -4.816
  720   1HD   ARG  89          2HD       ARG  89   8.376  -0.393  -4.881
  721   2HD   ARG  89          1HD       ARG  89   7.734   0.053  -6.450
  722    HE   ARG  89           HE       ARG  89  10.392  -0.428  -6.913
  723   1HH1  ARG  89          1HH2      ARG  89   7.781  -2.094  -5.384
  724   2HH1  ARG  89          2HH2      ARG  89   8.329  -3.663  -5.869
  725   1HH2  ARG  89          1HH1      ARG  89  11.095  -2.478  -7.580
  726   2HH2  ARG  89          2HH1      ARG  89  10.200  -3.880  -7.101
  727    H    ASP  90           H        ASP  90   7.539   4.178  -7.758
  728    HA   ASP  90           HA       ASP  90   5.761   6.153  -6.828
  729   1HB   ASP  90          2HB       ASP  90   7.795   6.279  -8.538
  730   2HB   ASP  90          1HB       ASP  90   6.499   6.137  -9.727
  731    H    ALA  91           H        ALA  91   5.101   3.318  -8.600
  732    HA   ALA  91           HA       ALA  91   2.609   4.404  -9.705
  733   1HB   ALA  91          1HB       ALA  91   2.778   1.631 -10.173
  734   2HB   ALA  91          2HB       ALA  91   4.415   2.242 -10.409
  735   3HB   ALA  91          3HB       ALA  91   3.079   2.916 -11.342
  736    H    VAL  92           H        VAL  92   3.948   2.123  -7.337
  737    HA   VAL  92           HA       VAL  92   1.454   1.030  -6.491
  738    HB   VAL  92           HB       VAL  92   3.782   1.660  -4.654
  739   1HG1  VAL  92          1HG1      VAL  92   1.438  -0.225  -4.660
  740   2HG1  VAL  92          2HG1      VAL  92   2.006   0.834  -3.370
  741   3HG1  VAL  92          3HG1      VAL  92   2.894  -0.641  -3.757
  742   1HG2  VAL  92          1HG2      VAL  92   3.414  -0.696  -6.526
  743   2HG2  VAL  92          2HG2      VAL  92   4.627  -0.607  -5.246
  744   3HG2  VAL  92          3HG2      VAL  92   4.694   0.514  -6.608
  745    H    LYS  93           H        LYS  93   3.389   3.792  -5.386
  746    HA   LYS  93           HA       LYS  93   1.533   4.838  -3.551
  747   1HB   LYS  93          2HB       LYS  93   3.664   5.817  -3.489
  748   2HB   LYS  93          1HB       LYS  93   3.749   5.971  -5.244
  749   1HG   LYS  93          2HG       LYS  93   2.031   7.721  -5.198
  750   2HG   LYS  93          1HG       LYS  93   1.884   7.552  -3.449
  751   1HD   LYS  93          2HD       LYS  93   3.470   9.162  -3.324
  752   2HD   LYS  93          1HD       LYS  93   4.604   7.900  -3.806
  753   1HE   LYS  93          2HE       LYS  93   4.713   9.973  -5.238
  754   2HE   LYS  93          1HE       LYS  93   4.381   8.495  -6.140
  755   1HZ   LYS  93          1HZ       LYS  93   2.450   9.320  -6.738
  756   2HZ   LYS  93          2HZ       LYS  93   2.863  10.734  -6.112
  757   3HZ   LYS  93          3HZ       LYS  93   2.022   9.689  -5.240
  758    H    ASP  94           H        ASP  94   2.105   5.480  -7.027
  759    HA   ASP  94           HA       ASP  94   0.177   7.291  -7.648
  760   1HB   ASP  94          2HB       ASP  94   1.739   6.140  -9.253
  761   2HB   ASP  94          1HB       ASP  94   0.628   4.771  -9.257
  762    H    LEU  95           H        LEU  95  -0.404   3.937  -6.650
  763    HA   LEU  95           HA       LEU  95  -3.233   4.179  -7.395
  764   1HB   LEU  95          2HB       LEU  95  -2.177   2.033  -5.578
  765   2HB   LEU  95          1HB       LEU  95  -3.476   1.944  -6.764
  766    HG   LEU  95           HG       LEU  95  -0.695   2.465  -7.718
  767   1HD1  LEU  95          1HD1      LEU  95  -0.144   0.135  -7.713
  768   2HD1  LEU  95          2HD1      LEU  95  -1.764  -0.303  -7.171
  769   3HD1  LEU  95          3HD1      LEU  95  -0.665   0.534  -6.075
  770   1HD2  LEU  95          1HD2      LEU  95  -2.895   2.411  -9.110
  771   2HD2  LEU  95          2HD2      LEU  95  -2.780   0.663  -8.914
  772   3HD2  LEU  95          3HD2      LEU  95  -1.488   1.545  -9.725
  773    H    LEU  96           H        LEU  96  -1.166   4.052  -4.540
  774    HA   LEU  96           HA       LEU  96  -2.823   4.121  -2.425
  775   1HB   LEU  96          2HB       LEU  96  -0.532   6.022  -2.980
  776   2HB   LEU  96          1HB       LEU  96  -1.243   5.759  -1.393
  777    HG   LEU  96           HG       LEU  96   0.243   3.769  -3.116
  778   1HD1  LEU  96          1HD1      LEU  96   0.606   4.718  -0.259
  779   2HD1  LEU  96          2HD1      LEU  96   1.573   5.239  -1.639
  780   3HD1  LEU  96          3HD1      LEU  96   1.637   3.561  -1.100
  781   1HD2  LEU  96          1HD2      LEU  96  -0.332   2.126  -1.293
  782   2HD2  LEU  96          2HD2      LEU  96  -1.706   2.612  -2.287
  783   3HD2  LEU  96          3HD2      LEU  96  -1.494   3.303  -0.679
  784    H    GLN  97           H        GLN  97  -1.813   7.149  -3.956
  785    HA   GLN  97           HA       GLN  97  -3.828   8.725  -2.752
  786   1HB   GLN  97          2HB       GLN  97  -2.503   9.311  -5.407
  787   2HB   GLN  97          1HB       GLN  97  -3.219  10.469  -4.289
  788   1HG   GLN  97          2HG       GLN  97  -1.156  10.681  -3.398
  789   2HG   GLN  97          1HG       GLN  97  -1.434   9.085  -2.697
  790   1HE2  GLN  97          1HE2      GLN  97  -1.440   7.857  -5.490
  791   2HE2  GLN  97          2HE2      GLN  97   0.201   7.744  -5.876
  792    H    GLN  98           H        GLN  98  -4.298   6.297  -4.968
  793    HA   GLN  98           HA       GLN  98  -6.555   7.689  -6.219
  794   1HB   GLN  98          2HB       GLN  98  -4.719   6.265  -7.470
  795   2HB   GLN  98          1HB       GLN  98  -5.729   4.913  -6.944
  796   1HG   GLN  98          2HG       GLN  98  -7.519   6.872  -7.889
  797   2HG   GLN  98          1HG       GLN  98  -6.212   6.812  -9.076
  798   1HE2  GLN  98          1HE2      GLN  98  -5.521   4.021  -8.770
  799   2HE2  GLN  98          2HE2      GLN  98  -6.818   3.096  -9.356
  800    H    LEU  99           H        LEU  99  -5.762   5.199  -3.899
  801    HA   LEU  99           HA       LEU  99  -8.533   4.214  -3.964
  802   1HB   LEU  99          2HB       LEU  99  -7.318   3.054  -1.735
  803   2HB   LEU  99          1HB       LEU  99  -7.596   2.271  -3.277
  804    HG   LEU  99           HG       LEU  99  -5.269   3.655  -3.771
  805   1HD1  LEU  99          1HD1      LEU  99  -4.177   2.624  -1.420
  806   2HD1  LEU  99          2HD1      LEU  99  -5.655   3.430  -0.892
  807   3HD1  LEU  99          3HD1      LEU  99  -4.435   4.328  -1.773
  808   1HD2  LEU  99          1HD2      LEU  99  -4.873   1.527  -4.376
  809   2HD2  LEU  99          2HD2      LEU  99  -6.109   0.930  -3.270
  810   3HD2  LEU  99          3HD2      LEU  99  -4.462   1.196  -2.694
  811    H    LEU 100           H        LEU 100  -6.371   6.098  -1.899
  812    HA   LEU 100           HA       LEU 100  -7.854   6.107   0.410
  813   1HB   LEU 100          2HB       LEU 100  -7.205   8.825   0.151
  814   2HB   LEU 100          1HB       LEU 100  -6.279   7.598   0.997
  815    HG   LEU 100           HG       LEU 100  -5.832   7.683  -1.926
  816   1HD1  LEU 100          1HD1      LEU 100  -5.498   9.900  -2.071
  817   2HD1  LEU 100          2HD1      LEU 100  -4.165   9.707  -0.932
  818   3HD1  LEU 100          3HD1      LEU 100  -5.778  10.106  -0.341
  819   1HD2  LEU 100          1HD2      LEU 100  -4.541   6.279  -0.315
  820   2HD2  LEU 100          2HD2      LEU 100  -4.003   7.750   0.495
  821   3HD2  LEU 100          3HD2      LEU 100  -3.506   7.427  -1.164
  822    HA   PRO 101           HA       PRO 101 -10.668   9.373  -1.747
  823   1HB   PRO 101          2HB       PRO 101 -10.413   8.395  -4.530
  824   2HB   PRO 101          1HB       PRO 101 -10.506  10.063  -3.941
  825   1HG   PRO 101          2HG       PRO 101  -8.202   8.834  -4.844
  826   2HG   PRO 101          1HG       PRO 101  -8.222  10.213  -3.732
  827   1HD   PRO 101          2HD       PRO 101  -7.490   7.447  -3.192
  828   2HD   PRO 101          1HD       PRO 101  -7.293   8.876  -2.166
  829    H    LYS 102           H        LYS 102 -10.327   6.025  -2.289
  830    HA   LYS 102           HA       LYS 102 -12.939   5.481  -3.352
  831   1HB   LYS 102          2HB       LYS 102 -11.119   3.933  -3.744
  832   2HB   LYS 102          1HB       LYS 102 -10.838   3.782  -2.008
  833   1HG   LYS 102          2HG       LYS 102 -12.399   2.199  -1.805
  834   2HG   LYS 102          1HG       LYS 102 -13.597   3.187  -2.648
  835   1HD   LYS 102          2HD       LYS 102 -11.429   1.911  -4.266
  836   2HD   LYS 102          1HD       LYS 102 -12.741   0.886  -3.682
  837   1HE   LYS 102          2HE       LYS 102 -13.626   3.450  -4.840
  838   2HE   LYS 102          1HE       LYS 102 -12.849   2.361  -5.989
  839   1HZ   LYS 102          1HZ       LYS 102 -15.382   2.184  -5.219
  840   2HZ   LYS 102          2HZ       LYS 102 -14.701   1.093  -4.267
  841   3HZ   LYS 102          3HZ       LYS 102 -14.549   0.974  -5.855
  842    H    PHE 103           H        PHE 103 -11.441   5.111  -0.159
  843    HA   PHE 103           HA       PHE 103 -14.095   4.524   0.947
  844   1HB   PHE 103          2HB       PHE 103 -12.427   4.185   3.061
  845   2HB   PHE 103          1HB       PHE 103 -12.793   2.903   1.905
  846    HD1  PHE 103           HD1      PHE 103 -11.296   2.611  -0.107
  847    HD2  PHE 103           HD2      PHE 103 -10.226   5.076   3.242
  848    HE1  PHE 103           HE1      PHE 103  -8.951   2.604  -0.865
  849    HE2  PHE 103           HE2      PHE 103  -7.859   5.060   2.496
  850    HZ   PHE 103           HZ       PHE 103  -7.219   3.828   0.439
  851    H    LYS 104           H        LYS 104 -12.430   7.243   0.371
  852    HA   LYS 104           HA       LYS 104 -13.430   8.445   2.870
  853   1HB   LYS 104          2HB       LYS 104 -10.738   8.480   1.805
  854   2HB   LYS 104          1HB       LYS 104 -11.385  10.117   1.919
  855   1HG   LYS 104          2HG       LYS 104 -10.248   9.384   4.016
  856   2HG   LYS 104          1HG       LYS 104 -11.950   9.772   4.266
  857   1HD   LYS 104          2HD       LYS 104 -11.742   7.017   3.504
  858   2HD   LYS 104          1HD       LYS 104 -10.623   7.319   4.829
  859   1HE   LYS 104          2HE       LYS 104 -12.874   8.715   5.616
  860   2HE   LYS 104          1HE       LYS 104 -13.559   7.290   4.837
  861   1HZ   LYS 104          1HZ       LYS 104 -13.138   6.401   6.817
  862   2HZ   LYS 104          2HZ       LYS 104 -12.015   7.465   7.225
  863   3HZ   LYS 104          3HZ       LYS 104 -11.641   6.232   6.276
  864    H    ARG 105           H        ARG 105 -14.419   8.100   0.041
  865    HA   ARG 105           HA       ARG 105 -15.252  10.902  -0.266
  866   1HB   ARG 105          2HB       ARG 105 -13.293   9.779  -1.895
  867   2HB   ARG 105          1HB       ARG 105 -14.771   9.649  -2.850
  868   1HG   ARG 105          2HG       ARG 105 -14.698  12.218  -1.549
  869   2HG   ARG 105          1HG       ARG 105 -13.192  11.964  -2.433
  870   1HD   ARG 105          2HD       ARG 105 -15.352  11.018  -4.056
  871   2HD   ARG 105          1HD       ARG 105 -15.753  12.641  -3.492
  872    HE   ARG 105           HE       ARG 105 -13.154  12.857  -4.310
  873   1HH1  ARG 105          1HH2      ARG 105 -16.110  11.682  -5.660
  874   2HH1  ARG 105          2HH2      ARG 105 -15.682  12.099  -7.284
  875   1HH2  ARG 105          1HH1      ARG 105 -12.589  13.404  -6.424
  876   2HH2  ARG 105          2HH1      ARG 105 -13.692  13.072  -7.717
  877    H    LYS 106           H        LYS 106 -16.130   7.682  -0.068
  878    HA   LYS 106           HA       LYS 106 -18.719   8.320  -1.319
  879   1HB   LYS 106          2HB       LYS 106 -16.812   6.490  -2.355
  880   2HB   LYS 106          1HB       LYS 106 -18.120   5.532  -1.661
  881   1HG   LYS 106          2HG       LYS 106 -19.633   7.328  -2.907
  882   2HG   LYS 106          1HG       LYS 106 -18.198   7.490  -3.921
  883   1HD   LYS 106          2HD       LYS 106 -18.202   5.032  -4.284
  884   2HD   LYS 106          1HD       LYS 106 -19.682   4.912  -3.332
  885   1HE   LYS 106          2HE       LYS 106 -20.362   6.871  -5.112
  886   2HE   LYS 106          1HE       LYS 106 -19.298   5.870  -6.099
  887   1HZ   LYS 106          1HZ       LYS 106 -21.003   4.258  -4.631
  888   2HZ   LYS 106          2HZ       LYS 106 -20.896   4.392  -6.222
  889   3HZ   LYS 106          3HZ       LYS 106 -21.889   5.344  -5.404
  890    H    ALA 107           H        ALA 107 -20.429   6.763  -0.545
  891    HA   ALA 107           HA       ALA 107 -19.947   6.187   2.297
  892   1HB   ALA 107          1HB       ALA 107 -22.031   7.443   1.088
  893   2HB   ALA 107          2HB       ALA 107 -22.173   6.586   2.623
  894   3HB   ALA 107          3HB       ALA 107 -22.638   5.787   1.121
  895    H    ASN 108           H        ASN 108 -20.223   4.618  -0.744
  896    HA   ASN 108           HA       ASN 108 -21.151   2.098   0.351
  897   1HB   ASN 108          2HB       ASN 108 -21.314   3.125  -2.118
  898   2HB   ASN 108          1HB       ASN 108 -19.793   2.251  -2.299
  899   1HD2  ASN 108          1HD2      ASN 108 -20.983   0.745  -3.784
  900   2HD2  ASN 108          2HD2      ASN 108 -21.966  -0.471  -3.124
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -14.700 -20.572  -7.916
    2   2H    MET   1          2H        MET   1 -16.005 -21.487  -8.060
    3   3H    MET   1          3H        MET   1 -16.047 -19.957  -8.525
    4    HA   MET   1           HA       MET   1 -15.229 -22.221  -9.969
    5   1HB   MET   1          2HB       MET   1 -15.832 -19.326 -10.629
    6   2HB   MET   1          1HB       MET   1 -15.423 -20.530 -11.852
    7   1HG   MET   1          2HG       MET   1 -17.686 -20.881  -9.870
    8   2HG   MET   1          1HG       MET   1 -17.908 -20.205 -11.484
    9   1HE   MET   1          1HE       MET   1 -17.830 -22.881 -13.900
   10   2HE   MET   1          2HE       MET   1 -17.571 -21.177 -13.533
   11   3HE   MET   1          3HE       MET   1 -19.105 -21.937 -13.116
   12    H    ALA   2           H        ALA   2 -13.494 -21.834 -11.736
   13    HA   ALA   2           HA       ALA   2 -10.985 -21.689 -10.628
   14   1HB   ALA   2          1HB       ALA   2 -12.110 -21.519 -13.325
   15   2HB   ALA   2          2HB       ALA   2 -10.654 -22.343 -12.766
   16   3HB   ALA   2          3HB       ALA   2 -10.599 -20.624 -13.159
   17    H    THR   3           H        THR   3 -12.375 -19.009 -12.563
   18    HA   THR   3           HA       THR   3 -10.503 -17.094 -11.804
   19    HB   THR   3           HB       THR   3 -13.011 -15.789 -12.042
   20    HG1  THR   3           HG1      THR   3 -14.067 -17.452 -12.866
   21   1HG2  THR   3          1HG2      THR   3 -11.447 -14.676 -13.246
   22   2HG2  THR   3          2HG2      THR   3 -11.888 -15.773 -14.554
   23   3HG2  THR   3          3HG2      THR   3 -10.500 -16.136 -13.529
   24    H    SER   4           H        SER   4 -10.223 -15.882  -9.963
   25    HA   SER   4           HA       SER   4 -11.370 -16.655  -7.536
   26   1HB   SER   4          2HB       SER   4 -10.439 -13.836  -7.976
   27   2HB   SER   4          1HB       SER   4 -10.186 -14.886  -6.584
   28    HG   SER   4           HG       SER   4  -8.437 -15.588  -7.500
   29    H    SER   5           H        SER   5 -12.269 -14.269  -6.325
   30    HA   SER   5           HA       SER   5 -14.793 -13.823  -7.808
   31   1HB   SER   5          2HB       SER   5 -14.571 -13.600  -4.820
   32   2HB   SER   5          1HB       SER   5 -15.997 -13.910  -5.805
   33    HG   SER   5           HG       SER   5 -14.619 -15.691  -4.598
   34    H    GLU   6           H        GLU   6 -12.800 -12.350  -5.207
   35    HA   GLU   6           HA       GLU   6 -13.862  -9.758  -5.649
   36   1HB   GLU   6          2HB       GLU   6 -12.671 -10.494  -3.581
   37   2HB   GLU   6          1HB       GLU   6 -11.161 -10.395  -4.469
   38   1HG   GLU   6          2HG       GLU   6 -11.730  -8.340  -3.118
   39   2HG   GLU   6          1HG       GLU   6 -11.468  -8.032  -4.834
   40    H    GLU   7           H        GLU   7 -12.572  -7.939  -6.334
   41    HA   GLU   7           HA       GLU   7 -10.842  -8.632  -8.642
   42   1HB   GLU   7          2HB       GLU   7 -12.704  -6.252  -8.382
   43   2HB   GLU   7          1HB       GLU   7 -11.717  -6.659  -9.786
   44   1HG   GLU   7          2HG       GLU   7 -13.206  -8.985  -9.143
   45   2HG   GLU   7          1HG       GLU   7 -14.336  -7.631  -9.094
   46    H    VAL   8           H        VAL   8  -8.724  -8.102  -7.967
   47    HA   VAL   8           HA       VAL   8  -8.444  -5.821  -6.179
   48    HB   VAL   8           HB       VAL   8  -6.330  -6.737  -5.629
   49   1HG1  VAL   8          1HG1      VAL   8  -6.894  -8.875  -4.848
   50   2HG1  VAL   8          2HG1      VAL   8  -7.824  -9.263  -6.295
   51   3HG1  VAL   8          3HG1      VAL   8  -8.477  -8.140  -5.103
   52   1HG2  VAL   8          1HG2      VAL   8  -5.224  -8.474  -6.978
   53   2HG2  VAL   8          2HG2      VAL   8  -5.557  -7.054  -7.971
   54   3HG2  VAL   8          3HG2      VAL   8  -6.583  -8.482  -8.103
   55    H    LEU   9           H        LEU   9  -6.860  -4.213  -6.646
   56    HA   LEU   9           HA       LEU   9  -6.765  -3.651  -9.530
   57   1HB   LEU   9          2HB       LEU   9  -7.698  -1.878  -8.257
   58   2HB   LEU   9          1HB       LEU   9  -6.387  -1.936  -7.079
   59    HG   LEU   9           HG       LEU   9  -4.789  -1.233  -8.835
   60   1HD1  LEU   9          1HD1      LEU   9  -5.384  -1.555 -10.984
   61   2HD1  LEU   9          2HD1      LEU   9  -6.512  -0.209 -10.816
   62   3HD1  LEU   9          3HD1      LEU   9  -7.058  -1.860 -10.523
   63   1HD2  LEU   9          1HD2      LEU   9  -6.243   0.382  -7.394
   64   2HD2  LEU   9          2HD2      LEU   9  -7.103   0.699  -8.901
   65   3HD2  LEU   9          3HD2      LEU   9  -5.379   1.048  -8.780
   66    H    LEU  10           H        LEU  10  -4.371  -4.255  -6.876
   67    HA   LEU  10           HA       LEU  10  -2.396  -4.768  -8.832
   68   1HB   LEU  10          2HB       LEU  10  -2.339  -2.436  -9.318
   69   2HB   LEU  10          1HB       LEU  10  -2.377  -2.005  -7.609
   70    HG   LEU  10           HG       LEU  10  -0.160  -3.157  -7.339
   71   1HD1  LEU  10          1HD1      LEU  10   0.865  -4.234  -9.062
   72   2HD1  LEU  10          2HD1      LEU  10   0.367  -3.020 -10.241
   73   3HD1  LEU  10          3HD1      LEU  10  -0.754  -4.295  -9.760
   74   1HD2  LEU  10          1HD2      LEU  10  -0.176  -0.751  -7.584
   75   2HD2  LEU  10          2HD2      LEU  10  -0.390  -0.881  -9.330
   76   3HD2  LEU  10          3HD2      LEU  10   1.132  -1.376  -8.590
   77    H    ILE  11           H        ILE  11  -0.542  -5.640  -7.874
   78    HA   ILE  11           HA       ILE  11  -0.326  -5.386  -4.951
   79    HB   ILE  11           HB       ILE  11  -1.470  -7.427  -5.003
   80   1HG1  ILE  11          2HG1      ILE  11   1.013  -7.477  -4.089
   81   2HG1  ILE  11          1HG1      ILE  11   0.111  -8.974  -4.220
   82   1HG2  ILE  11          1HG2      ILE  11  -1.650  -7.688  -7.401
   83   2HG2  ILE  11          2HG2      ILE  11  -0.973  -9.179  -6.744
   84   3HG2  ILE  11          3HG2      ILE  11   0.080  -8.009  -7.542
   85   1HD1  ILE  11          1HD1      ILE  11   2.591  -8.577  -5.299
   86   2HD1  ILE  11          2HD1      ILE  11   1.551  -8.221  -6.676
   87   3HD1  ILE  11          3HD1      ILE  11   1.443  -9.785  -5.872
   88    H    VAL  12           H        VAL  12   1.769  -5.455  -4.233
   89    HA   VAL  12           HA       VAL  12   3.822  -5.850  -6.320
   90    HB   VAL  12           HB       VAL  12   5.187  -4.363  -4.634
   91   1HG1  VAL  12          1HG1      VAL  12   4.546  -2.396  -5.898
   92   2HG1  VAL  12          2HG1      VAL  12   2.992  -3.118  -6.316
   93   3HG1  VAL  12          3HG1      VAL  12   4.482  -3.785  -6.984
   94   1HG2  VAL  12          1HG2      VAL  12   4.005  -3.093  -3.143
   95   2HG2  VAL  12          2HG2      VAL  12   2.950  -4.498  -3.158
   96   3HG2  VAL  12          3HG2      VAL  12   2.550  -3.080  -4.129
   97    H    LYS  13           H        LYS  13   4.498  -7.871  -5.969
   98    HA   LYS  13           HA       LYS  13   4.536  -9.314  -3.580
   99   1HB   LYS  13          2HB       LYS  13   5.653 -10.929  -4.808
  100   2HB   LYS  13          1HB       LYS  13   4.951  -9.964  -6.097
  101   1HG   LYS  13          2HG       LYS  13   7.758  -9.570  -5.034
  102   2HG   LYS  13          1HG       LYS  13   7.367 -10.506  -6.476
  103   1HD   LYS  13          2HD       LYS  13   6.013  -8.198  -6.994
  104   2HD   LYS  13          1HD       LYS  13   7.388  -7.575  -6.084
  105   1HE   LYS  13          2HE       LYS  13   8.880  -8.111  -7.723
  106   2HE   LYS  13          1HE       LYS  13   8.050  -9.614  -8.123
  107   1HZ   LYS  13          1HZ       LYS  13   6.303  -7.984  -9.012
  108   2HZ   LYS  13          2HZ       LYS  13   7.585  -8.323  -9.908
  109   3HZ   LYS  13          3HZ       LYS  13   7.522  -6.949  -9.091
  110    H    LYS  14           H        LYS  14   6.487  -6.799  -4.610
  111    HA   LYS  14           HA       LYS  14   8.461  -7.446  -2.507
  112   1HB   LYS  14          2HB       LYS  14   8.857  -6.829  -5.214
  113   2HB   LYS  14          1HB       LYS  14   9.310  -5.373  -4.335
  114   1HG   LYS  14          2HG       LYS  14  11.238  -6.908  -4.567
  115   2HG   LYS  14          1HG       LYS  14  10.785  -6.713  -2.873
  116   1HD   LYS  14          2HD       LYS  14   9.895  -8.851  -2.720
  117   2HD   LYS  14          1HD       LYS  14   9.539  -8.938  -4.445
  118   1HE   LYS  14          2HE       LYS  14  11.398 -10.286  -4.436
  119   2HE   LYS  14          1HE       LYS  14  12.220  -8.733  -4.579
  120   1HZ   LYS  14          1HZ       LYS  14  12.295 -10.544  -2.465
  121   2HZ   LYS  14          2HZ       LYS  14  11.771  -9.130  -1.931
  122   3HZ   LYS  14          3HZ       LYS  14  13.180  -9.227  -2.683
  123    H    VAL  15           H        VAL  15   8.243  -6.198  -0.728
  124    HA   VAL  15           HA       VAL  15   7.930  -3.365  -1.126
  125    HB   VAL  15           HB       VAL  15   5.627  -4.891   0.026
  126   1HG1  VAL  15          1HG1      VAL  15   4.882  -2.979   1.272
  127   2HG1  VAL  15          2HG1      VAL  15   6.183  -1.977   0.639
  128   3HG1  VAL  15          3HG1      VAL  15   6.543  -3.260   1.793
  129   1HG2  VAL  15          1HG2      VAL  15   4.693  -2.690  -1.175
  130   2HG2  VAL  15          2HG2      VAL  15   5.112  -4.146  -2.076
  131   3HG2  VAL  15          3HG2      VAL  15   6.252  -2.803  -1.992
  132    H    ARG  16           H        ARG  16   8.571  -2.166   0.639
  133    HA   ARG  16           HA       ARG  16   9.780  -3.764   2.805
  134   1HB   ARG  16          2HB       ARG  16  11.616  -2.992   1.510
  135   2HB   ARG  16          1HB       ARG  16  10.854  -1.441   1.211
  136   1HG   ARG  16          2HG       ARG  16  11.570  -0.567   3.184
  137   2HG   ARG  16          1HG       ARG  16  11.250  -2.059   4.066
  138   1HD   ARG  16          2HD       ARG  16  13.686  -1.341   2.432
  139   2HD   ARG  16          1HD       ARG  16  13.612  -1.829   4.124
  140    HE   ARG  16           HE       ARG  16  12.593  -3.978   2.768
  141   1HH1  ARG  16          1HH2      ARG  16  15.448  -2.037   2.609
  142   2HH1  ARG  16          2HH2      ARG  16  16.448  -3.330   2.037
  143   1HH2  ARG  16          1HH1      ARG  16  13.890  -5.668   2.023
  144   2HH2  ARG  16          2HH1      ARG  16  15.569  -5.381   1.706
  145    H    GLN  17           H        GLN  17   9.593  -2.853   4.849
  146    HA   GLN  17           HA       GLN  17   8.344  -0.232   5.020
  147   1HB   GLN  17          2HB       GLN  17   6.612  -1.239   6.628
  148   2HB   GLN  17          1HB       GLN  17   6.356  -1.540   4.918
  149   1HG   GLN  17          2HG       GLN  17   7.239  -3.751   5.065
  150   2HG   GLN  17          1HG       GLN  17   7.772  -3.479   6.713
  151   1HE2  GLN  17          1HE2      GLN  17   5.430  -2.132   7.720
  152   2HE2  GLN  17          2HE2      GLN  17   4.149  -3.243   7.728
  153    H    LYS  18           H        LYS  18   9.229   0.783   6.761
  154    HA   LYS  18           HA       LYS  18  11.511   0.141   7.916
  155   1HB   LYS  18          2HB       LYS  18   9.478   1.964   8.550
  156   2HB   LYS  18          1HB       LYS  18   9.850   1.142  10.066
  157   1HG   LYS  18          2HG       LYS  18  11.522   2.702  10.167
  158   2HG   LYS  18          1HG       LYS  18  12.360   1.540   9.138
  159   1HD   LYS  18          2HD       LYS  18  10.571   3.485   7.769
  160   2HD   LYS  18          1HD       LYS  18  12.068   4.126   8.447
  161   1HE   LYS  18          2HE       LYS  18  12.191   1.596   6.848
  162   2HE   LYS  18          1HE       LYS  18  12.023   3.129   5.991
  163   1HZ   LYS  18          1HZ       LYS  18  14.004   3.003   8.056
  164   2HZ   LYS  18          2HZ       LYS  18  14.051   3.765   6.650
  165   3HZ   LYS  18          3HZ       LYS  18  14.331   2.191   6.715
  166    H    LYS  19           H        LYS  19   8.525  -1.515   8.736
  167    HA   LYS  19           HA       LYS  19   9.685  -2.698  11.094
  168   1HB   LYS  19          2HB       LYS  19   7.630  -3.846  11.339
  169   2HB   LYS  19          1HB       LYS  19   7.165  -2.310  10.624
  170   1HG   LYS  19          2HG       LYS  19   7.033  -3.384   8.380
  171   2HG   LYS  19          1HG       LYS  19   7.527  -4.924   9.086
  172   1HD   LYS  19          2HD       LYS  19   5.028  -3.380   9.816
  173   2HD   LYS  19          1HD       LYS  19   5.093  -4.815   8.787
  174   1HE   LYS  19          2HE       LYS  19   4.928  -6.084  10.641
  175   2HE   LYS  19          1HE       LYS  19   6.506  -5.479  11.145
  176   1HZ   LYS  19          1HZ       LYS  19   5.335  -4.651  12.818
  177   2HZ   LYS  19          2HZ       LYS  19   3.925  -4.733  12.065
  178   3HZ   LYS  19          3HZ       LYS  19   4.900  -3.492  11.802
  179    H    GLN  20           H        GLN  20   8.757  -3.940   7.900
  180    HA   GLN  20           HA       GLN  20  10.944  -5.852   7.920
  181   1HB   GLN  20          2HB       GLN  20   8.018  -6.571   7.852
  182   2HB   GLN  20          1HB       GLN  20   9.298  -7.676   7.350
  183   1HG   GLN  20          2HG       GLN  20   9.318  -6.313  10.017
  184   2HG   GLN  20          1HG       GLN  20   8.501  -7.854   9.781
  185   1HE2  GLN  20          1HE2      GLN  20  11.575  -6.378  10.338
  186   2HE2  GLN  20          2HE2      GLN  20  12.525  -7.770  10.139
  187    H    ASP  21           H        ASP  21  10.939  -7.070   5.787
  188    HA   ASP  21           HA       ASP  21   9.919  -5.256   3.694
  189   1HB   ASP  21          2HB       ASP  21  11.858  -7.483   3.129
  190   2HB   ASP  21          1HB       ASP  21  11.697  -5.927   2.306
  191    H    GLY  22           H        GLY  22   8.305  -6.098   2.527
  192   1HA   GLY  22          2HA       GLY  22   7.811  -8.934   2.414
  193   2HA   GLY  22          1HA       GLY  22   6.706  -8.073   3.453
  194    H    ALA  23           H        ALA  23   5.853  -9.405   1.167
  195    HA   ALA  23           HA       ALA  23   5.528  -7.553  -0.959
  196   1HB   ALA  23          1HB       ALA  23   4.036  -9.333  -1.859
  197   2HB   ALA  23          2HB       ALA  23   4.204 -10.198  -0.335
  198   3HB   ALA  23          3HB       ALA  23   5.609  -9.958  -1.367
  199    H    LEU  24           H        LEU  24   4.111  -6.227  -1.250
  200    HA   LEU  24           HA       LEU  24   1.784  -5.966   0.566
  201   1HB   LEU  24          2HB       LEU  24   3.687  -4.156  -0.579
  202   2HB   LEU  24          1HB       LEU  24   2.087  -3.665  -1.101
  203    HG   LEU  24           HG       LEU  24   3.169  -3.958   1.687
  204   1HD1  LEU  24          1HD1      LEU  24   3.476  -1.754   1.170
  205   2HD1  LEU  24          2HD1      LEU  24   1.745  -1.619   1.482
  206   3HD1  LEU  24          3HD1      LEU  24   2.332  -1.812  -0.166
  207   1HD2  LEU  24          1HD2      LEU  24   0.722  -3.260   2.278
  208   2HD2  LEU  24          2HD2      LEU  24   1.064  -4.963   1.975
  209   3HD2  LEU  24          3HD2      LEU  24   0.316  -3.976   0.718
  210    H    TYR  25           H        TYR  25  -0.267  -6.061  -0.192
  211    HA   TYR  25           HA       TYR  25  -0.667  -6.516  -3.096
  212   1HB   TYR  25          2HB       TYR  25  -1.710  -7.768  -0.605
  213   2HB   TYR  25          1HB       TYR  25  -2.896  -7.489  -1.874
  214    HD1  TYR  25           HD1      TYR  25   0.287  -9.185  -1.040
  215    HD2  TYR  25           HD2      TYR  25  -2.903  -8.776  -3.883
  216    HE1  TYR  25           HE1      TYR  25   1.068 -11.237  -2.190
  217    HE2  TYR  25           HE2      TYR  25  -2.131 -10.837  -5.044
  218    HH   TYR  25           HH       TYR  25   0.780 -12.581  -3.941
  219    H    LEU  26           H        LEU  26  -2.242  -5.083  -4.102
  220    HA   LEU  26           HA       LEU  26  -3.643  -3.338  -2.191
  221   1HB   LEU  26          2HB       LEU  26  -1.939  -2.485  -4.086
  222   2HB   LEU  26          1HB       LEU  26  -3.377  -2.664  -5.091
  223    HG   LEU  26           HG       LEU  26  -3.212  -1.056  -2.525
  224   1HD1  LEU  26          1HD1      LEU  26  -2.740  -0.436  -5.357
  225   2HD1  LEU  26          2HD1      LEU  26  -2.300   0.483  -3.918
  226   3HD1  LEU  26          3HD1      LEU  26  -3.921   0.629  -4.595
  227   1HD2  LEU  26          1HD2      LEU  26  -5.455  -1.421  -2.529
  228   2HD2  LEU  26          2HD2      LEU  26  -5.436  -2.048  -4.178
  229   3HD2  LEU  26          3HD2      LEU  26  -5.488  -0.308  -3.896
  230    H    MET  27           H        MET  27  -5.853  -3.485  -2.283
  231    HA   MET  27           HA       MET  27  -6.997  -5.057  -4.508
  232   1HB   MET  27          2HB       MET  27  -7.075  -6.410  -2.499
  233   2HB   MET  27          1HB       MET  27  -7.711  -5.058  -1.567
  234   1HG   MET  27          2HG       MET  27  -9.832  -5.387  -2.304
  235   2HG   MET  27          1HG       MET  27  -9.300  -5.694  -3.955
  236   1HE   MET  27          1HE       MET  27  -8.166  -6.927  -0.737
  237   2HE   MET  27          2HE       MET  27  -7.370  -8.321  -1.461
  238   3HE   MET  27          3HE       MET  27  -8.819  -8.550  -0.485
  239    H    ALA  28           H        ALA  28  -9.097  -4.350  -5.160
  240    HA   ALA  28           HA       ALA  28  -9.542  -1.746  -5.578
  241   1HB   ALA  28          1HB       ALA  28 -11.182  -4.121  -5.534
  242   2HB   ALA  28          2HB       ALA  28 -11.352  -2.675  -6.533
  243   3HB   ALA  28          3HB       ALA  28 -12.111  -2.741  -4.942
  244    H    GLU  29           H        GLU  29 -10.956  -3.377  -2.641
  245    HA   GLU  29           HA       GLU  29 -11.314  -0.666  -1.596
  246   1HB   GLU  29          2HB       GLU  29 -13.315  -1.943  -1.597
  247   2HB   GLU  29          1HB       GLU  29 -12.483  -3.366  -0.968
  248   1HG   GLU  29          2HG       GLU  29 -12.547  -2.612   1.194
  249   2HG   GLU  29          1HG       GLU  29 -12.345  -0.924   0.729
  250    H    ARG  30           H        ARG  30  -8.892  -3.066  -1.275
  251    HA   ARG  30           HA       ARG  30  -8.202  -1.812   1.260
  252   1HB   ARG  30          2HB       ARG  30  -8.304  -3.673   2.635
  253   2HB   ARG  30          1HB       ARG  30  -9.777  -3.805   1.700
  254   1HG   ARG  30          2HG       ARG  30  -7.722  -5.132   0.256
  255   2HG   ARG  30          1HG       ARG  30  -7.610  -5.653   1.937
  256   1HD   ARG  30          2HD       ARG  30  -9.179  -7.126   0.842
  257   2HD   ARG  30          1HD       ARG  30 -10.108  -6.050   1.882
  258    HE   ARG  30           HE       ARG  30 -10.015  -4.769  -0.557
  259   1HH1  ARG  30          1HH2      ARG  30 -10.939  -7.882   0.634
  260   2HH1  ARG  30          2HH2      ARG  30 -12.184  -8.108  -0.547
  261   1HH2  ARG  30          1HH1      ARG  30 -11.651  -5.054  -2.096
  262   2HH2  ARG  30          2HH1      ARG  30 -12.586  -6.512  -2.089
  263    H    ILE  31           H        ILE  31  -6.180  -2.465   2.133
  264    HA   ILE  31           HA       ILE  31  -4.307  -3.293  -0.010
  265    HB   ILE  31           HB       ILE  31  -4.137  -1.311   2.241
  266   1HG1  ILE  31          2HG1      ILE  31  -3.399  -1.488  -0.681
  267   2HG1  ILE  31          1HG1      ILE  31  -4.482  -0.348   0.114
  268   1HG2  ILE  31          1HG2      ILE  31  -2.296  -2.936   2.687
  269   2HG2  ILE  31          2HG2      ILE  31  -1.679  -1.367   2.168
  270   3HG2  ILE  31          3HG2      ILE  31  -1.724  -2.716   1.033
  271   1HD1  ILE  31          1HD1      ILE  31  -1.480  -0.467   0.524
  272   2HD1  ILE  31          2HD1      ILE  31  -2.581   0.707   1.247
  273   3HD1  ILE  31          3HD1      ILE  31  -2.316   0.703  -0.497
  274    H    ALA  32           H        ALA  32  -3.146  -5.141   0.329
  275    HA   ALA  32           HA       ALA  32  -3.359  -6.393   3.004
  276   1HB   ALA  32          1HB       ALA  32  -2.879  -8.515   1.538
  277   2HB   ALA  32          2HB       ALA  32  -3.493  -7.503   0.231
  278   3HB   ALA  32          3HB       ALA  32  -4.515  -7.860   1.623
  279    H    TRP  33           H        TRP  33  -1.605  -7.770   3.622
  280    HA   TRP  33           HA       TRP  33   0.920  -7.057   2.284
  281   1HB   TRP  33          2HB       TRP  33   0.634  -5.579   4.266
  282   2HB   TRP  33          1HB       TRP  33   0.590  -7.016   5.279
  283    HD1  TRP  33           HD1      TRP  33   2.804  -6.196   2.261
  284    HE1  TRP  33           HE1      TRP  33   5.251  -6.416   3.004
  285    HE3  TRP  33           HE3      TRP  33   2.263  -7.449   7.206
  286    HZ2  TRP  33           HZ2      TRP  33   6.790  -7.044   5.188
  287    HZ3  TRP  33           HZ3      TRP  33   4.286  -7.898   8.579
  288    HH2  TRP  33           HH2      TRP  33   6.548  -7.719   7.557
  289    H    ALA  34           H        ALA  34   2.472  -8.569   2.384
  290    HA   ALA  34           HA       ALA  34   2.098 -10.961   3.980
  291   1HB   ALA  34          1HB       ALA  34   0.879 -11.742   2.198
  292   2HB   ALA  34          2HB       ALA  34   2.505 -12.298   1.794
  293   3HB   ALA  34          3HB       ALA  34   1.842 -10.860   1.012
  294    HA   PRO  35           HA       PRO  35   6.422  -9.891   3.773
  295   1HB   PRO  35          2HB       PRO  35   6.930 -11.574   6.031
  296   2HB   PRO  35          1HB       PRO  35   6.869  -9.806   5.993
  297   1HG   PRO  35          2HG       PRO  35   4.937 -11.630   7.135
  298   2HG   PRO  35          1HG       PRO  35   4.918  -9.862   7.157
  299   1HD   PRO  35          2HD       PRO  35   3.247 -11.609   5.611
  300   2HD   PRO  35          1HD       PRO  35   3.268  -9.836   5.598
  301    H    GLU  36           H        GLU  36   8.386 -11.255   3.538
  302    HA   GLU  36           HA       GLU  36   7.913 -13.498   1.869
  303   1HB   GLU  36          2HB       GLU  36  10.263 -12.105   3.017
  304   2HB   GLU  36          1HB       GLU  36  10.513 -13.794   2.577
  305   1HG   GLU  36          2HG       GLU  36   9.704 -13.364   0.313
  306   2HG   GLU  36          1HG       GLU  36   9.333 -11.693   0.737
  307    H    GLY  37           H        GLY  37   7.697 -13.247   5.216
  308   1HA   GLY  37          2HA       GLY  37   8.907 -15.380   6.364
  309   2HA   GLY  37          1HA       GLY  37   7.253 -14.920   6.760
  310    H    LYS  38           H        LYS  38   5.524 -16.140   5.882
  311    HA   LYS  38           HA       LYS  38   6.110 -18.197   3.914
  312   1HB   LYS  38          2HB       LYS  38   4.945 -19.232   6.465
  313   2HB   LYS  38          1HB       LYS  38   5.897 -20.074   5.244
  314   1HG   LYS  38          2HG       LYS  38   7.931 -18.983   5.995
  315   2HG   LYS  38          1HG       LYS  38   7.018 -17.970   7.115
  316   1HD   LYS  38          2HD       LYS  38   7.083 -20.998   7.245
  317   2HD   LYS  38          1HD       LYS  38   8.117 -19.948   8.214
  318   1HE   LYS  38          2HE       LYS  38   6.445 -19.477   9.656
  319   2HE   LYS  38          1HE       LYS  38   5.315 -19.142   8.344
  320   1HZ   LYS  38          1HZ       LYS  38   4.921 -21.143   9.836
  321   2HZ   LYS  38          2HZ       LYS  38   6.044 -21.873   8.960
  322   3HZ   LYS  38          3HZ       LYS  38   4.714 -21.325   8.259
  323    H    ASP  39           H        ASP  39   3.703 -17.398   6.457
  324    HA   ASP  39           HA       ASP  39   1.465 -18.364   5.164
  325   1HB   ASP  39          2HB       ASP  39   2.039 -16.765   7.434
  326   2HB   ASP  39          1HB       ASP  39   0.786 -15.931   6.514
  327    H    ARG  40           H        ARG  40   1.880 -17.822   2.896
  328    HA   ARG  40           HA       ARG  40   2.245 -15.840   1.381
  329   1HB   ARG  40          2HB       ARG  40  -0.370 -16.162   0.504
  330   2HB   ARG  40          1HB       ARG  40   1.038 -17.048  -0.046
  331   1HG   ARG  40          2HG       ARG  40  -0.360 -18.793   0.582
  332   2HG   ARG  40          1HG       ARG  40   0.548 -18.564   2.068
  333   1HD   ARG  40          2HD       ARG  40  -1.624 -16.730   2.125
  334   2HD   ARG  40          1HD       ARG  40  -2.273 -18.295   1.641
  335    HE   ARG  40           HE       ARG  40  -0.645 -18.894   3.751
  336   1HH1  ARG  40          1HH2      ARG  40  -3.211 -16.662   3.140
  337   2HH1  ARG  40          2HH2      ARG  40  -3.791 -16.686   4.771
  338   1HH2  ARG  40          1HH1      ARG  40  -1.396 -18.934   5.877
  339   2HH2  ARG  40          2HH1      ARG  40  -2.766 -17.970   6.318
  340    H    PHE  41           H        PHE  41  -0.668 -15.679   3.302
  341    HA   PHE  41           HA       PHE  41  -0.717 -12.794   2.663
  342   1HB   PHE  41          2HB       PHE  41  -2.878 -14.787   3.148
  343   2HB   PHE  41          1HB       PHE  41  -3.160 -13.115   3.648
  344    HD1  PHE  41           HD1      PHE  41  -3.542 -15.306   0.979
  345    HD2  PHE  41           HD2      PHE  41  -2.147 -11.332   1.858
  346    HE1  PHE  41           HE1      PHE  41  -3.872 -14.670  -1.393
  347    HE2  PHE  41           HE2      PHE  41  -2.480 -10.697  -0.524
  348    HZ   PHE  41           HZ       PHE  41  -3.337 -12.373  -2.142
  349    H    THR  42           H        THR  42  -0.929 -11.278   4.334
  350    HA   THR  42           HA       THR  42  -0.641 -12.404   7.042
  351    HB   THR  42           HB       THR  42   1.387 -11.190   5.652
  352    HG1  THR  42           HG1      THR  42   2.147 -11.999   7.403
  353   1HG2  THR  42          1HG2      THR  42   0.660  -9.055   7.621
  354   2HG2  THR  42          2HG2      THR  42  -0.020  -8.978   6.004
  355   3HG2  THR  42          3HG2      THR  42   1.718  -8.977   6.213
  356    H    ILE  43           H        ILE  43  -1.547  -9.523   5.197
  357    HA   ILE  43           HA       ILE  43  -3.791  -9.169   7.080
  358    HB   ILE  43           HB       ILE  43  -3.217  -6.746   7.427
  359   1HG1  ILE  43          2HG1      ILE  43  -0.378  -7.348   6.842
  360   2HG1  ILE  43          1HG1      ILE  43  -1.415  -7.131   5.432
  361   1HG2  ILE  43          1HG2      ILE  43  -2.793  -8.518   9.122
  362   2HG2  ILE  43          2HG2      ILE  43  -1.588  -7.232   9.192
  363   3HG2  ILE  43          3HG2      ILE  43  -1.192  -8.772   8.428
  364   1HD1  ILE  43          1HD1      ILE  43  -2.107  -5.097   7.289
  365   2HD1  ILE  43          2HD1      ILE  43  -1.306  -4.906   5.729
  366   3HD1  ILE  43          3HD1      ILE  43  -0.346  -5.128   7.192
  367    H    SER  44           H        SER  44  -5.034  -7.025   6.481
  368    HA   SER  44           HA       SER  44  -5.004  -6.180   3.778
  369   1HB   SER  44          2HB       SER  44  -7.584  -7.389   4.046
  370   2HB   SER  44          1HB       SER  44  -6.367  -7.690   2.809
  371    HG   SER  44           HG       SER  44  -5.577  -9.338   3.973
  372    H    HIS  45           H        HIS  45  -5.558  -4.059   4.242
  373    HA   HIS  45           HA       HIS  45  -7.572  -3.654   6.376
  374   1HB   HIS  45          2HB       HIS  45  -6.331  -1.223   5.507
  375   2HB   HIS  45          1HB       HIS  45  -6.318  -1.946   7.113
  376    HD1  HIS  45           HD1      HIS  45  -4.084  -2.728   7.909
  377    HD2  HIS  45           HD2      HIS  45  -4.218  -2.402   3.759
  378    HE1  HIS  45           HE1      HIS  45  -1.729  -3.155   7.084
  379    H    MET  46           H        MET  46  -9.541  -3.106   5.679
  380    HA   MET  46           HA       MET  46 -10.101  -2.489   2.966
  381   1HB   MET  46          2HB       MET  46 -11.592  -2.805   5.469
  382   2HB   MET  46          1HB       MET  46 -12.266  -1.560   4.418
  383   1HG   MET  46          2HG       MET  46 -13.296  -3.321   3.397
  384   2HG   MET  46          1HG       MET  46 -11.735  -3.527   2.603
  385   1HE   MET  46          1HE       MET  46 -13.209  -4.081   6.161
  386   2HE   MET  46          2HE       MET  46 -13.420  -5.830   6.193
  387   3HE   MET  46          3HE       MET  46 -14.333  -4.861   5.040
  388    H    TYR  47           H        TYR  47  -9.214  -0.706   2.174
  389    HA   TYR  47           HA       TYR  47  -8.268   1.569   3.065
  390   1HB   TYR  47          2HB       TYR  47  -9.947   0.921   0.708
  391   2HB   TYR  47          1HB       TYR  47  -9.772   2.626   1.070
  392    HD1  TYR  47           HD1      TYR  47  -6.796   1.689   2.380
  393    HD2  TYR  47           HD2      TYR  47  -8.751   1.574  -1.462
  394    HE1  TYR  47           HE1      TYR  47  -4.616   1.709   1.256
  395    HE2  TYR  47           HE2      TYR  47  -6.556   1.588  -2.554
  396    HH   TYR  47           HH       TYR  47  -4.125   0.811  -1.822
  397    H    ALA  48           H        ALA  48 -11.836   1.056   2.973
  398    HA   ALA  48           HA       ALA  48 -12.396   3.716   3.858
  399   1HB   ALA  48          1HB       ALA  48 -14.186   2.516   2.846
  400   2HB   ALA  48          2HB       ALA  48 -14.616   2.654   4.554
  401   3HB   ALA  48          3HB       ALA  48 -13.968   1.137   3.929
  402    H    ASP  49           H        ASP  49 -12.080   0.634   5.501
  403    HA   ASP  49           HA       ASP  49 -12.471   1.591   8.158
  404   1HB   ASP  49          2HB       ASP  49 -10.821  -0.753   7.169
  405   2HB   ASP  49          1HB       ASP  49 -11.284  -0.476   8.848
  406    H    ILE  50           H        ILE  50 -10.006   2.124   5.912
  407    HA   ILE  50           HA       ILE  50  -8.123   2.862   8.068
  408    HB   ILE  50           HB       ILE  50  -6.998   3.006   5.395
  409   1HG1  ILE  50          2HG1      ILE  50  -8.702   1.206   4.979
  410   2HG1  ILE  50          1HG1      ILE  50  -7.039   0.652   4.820
  411   1HG2  ILE  50          1HG2      ILE  50  -6.427   1.659   8.003
  412   2HG2  ILE  50          2HG2      ILE  50  -5.475   2.865   7.143
  413   3HG2  ILE  50          3HG2      ILE  50  -5.511   1.196   6.573
  414   1HD1  ILE  50          1HD1      ILE  50  -7.095  -0.260   7.094
  415   2HD1  ILE  50          2HD1      ILE  50  -8.406  -0.946   6.136
  416   3HD1  ILE  50          3HD1      ILE  50  -8.742   0.325   7.306
  417    H    LYS  51           H        LYS  51  -8.138   5.210   8.430
  418    HA   LYS  51           HA       LYS  51  -8.429   6.707   5.898
  419   1HB   LYS  51          2HB       LYS  51 -10.649   6.758   6.902
  420   2HB   LYS  51          1HB       LYS  51  -9.964   7.314   8.427
  421   1HG   LYS  51          2HG       LYS  51 -10.874   9.179   6.963
  422   2HG   LYS  51          1HG       LYS  51  -9.181   9.355   7.439
  423   1HD   LYS  51          2HD       LYS  51  -8.373   8.763   5.326
  424   2HD   LYS  51          1HD       LYS  51  -9.885   7.982   4.864
  425   1HE   LYS  51          2HE       LYS  51  -9.771  10.089   3.689
  426   2HE   LYS  51          1HE       LYS  51 -10.993  10.248   4.950
  427   1HZ   LYS  51          1HZ       LYS  51  -9.533  11.464   6.236
  428   2HZ   LYS  51          2HZ       LYS  51  -9.296  12.057   4.769
  429   3HZ   LYS  51          3HZ       LYS  51  -8.236  11.038   5.400
  430    H    CYS  52           H        CYS  52  -6.488   7.514   5.843
  431    HA   CYS  52           HA       CYS  52  -5.825   9.844   7.066
  432   1HB   CYS  52          2HB       CYS  52  -5.085   7.495   8.605
  433   2HB   CYS  52          1HB       CYS  52  -3.743   8.590   8.302
  434    HG   CYS  52           HG       CYS  52  -4.707  10.148   9.967
  435    H    GLN  53           H        GLN  53  -4.475  10.616   5.491
  436    HA   GLN  53           HA       GLN  53  -2.546   8.649   4.392
  437   1HB   GLN  53          2HB       GLN  53  -4.618  10.234   2.899
  438   2HB   GLN  53          1HB       GLN  53  -3.142   9.702   2.094
  439   1HG   GLN  53          2HG       GLN  53  -4.147   7.489   3.581
  440   2HG   GLN  53          1HG       GLN  53  -5.490   8.175   2.675
  441   1HE2  GLN  53          1HE2      GLN  53  -5.046   5.865   1.589
  442   2HE2  GLN  53          2HE2      GLN  53  -4.012   5.898   0.242
  443    H    LYS  54           H        LYS  54  -0.650   9.353   4.362
  444    HA   LYS  54           HA       LYS  54  -0.045  12.213   3.958
  445   1HB   LYS  54          2HB       LYS  54   0.452  12.103   6.208
  446   2HB   LYS  54          1HB       LYS  54   0.596  10.342   6.185
  447   1HG   LYS  54          2HG       LYS  54   2.833  10.396   5.681
  448   2HG   LYS  54          1HG       LYS  54   2.701  11.880   4.736
  449   1HD   LYS  54          2HD       LYS  54   2.451  13.194   6.799
  450   2HD   LYS  54          1HD       LYS  54   2.537  11.717   7.760
  451   1HE   LYS  54          2HE       LYS  54   4.805  11.375   7.269
  452   2HE   LYS  54          1HE       LYS  54   4.746  12.396   5.833
  453   1HZ   LYS  54          1HZ       LYS  54   4.882  13.190   8.604
  454   2HZ   LYS  54          2HZ       LYS  54   4.183  14.178   7.558
  455   3HZ   LYS  54          3HZ       LYS  54   5.711  13.750   7.354
  456    H    ILE  55           H        ILE  55   1.072  12.227   2.010
  457    HA   ILE  55           HA       ILE  55   2.857   9.921   1.497
  458    HB   ILE  55           HB       ILE  55   2.643  10.495  -0.885
  459   1HG1  ILE  55          2HG1      ILE  55   0.496  12.238  -1.031
  460   2HG1  ILE  55          1HG1      ILE  55   1.461  12.917   0.281
  461   1HG2  ILE  55          1HG2      ILE  55   0.887   9.103   0.479
  462   2HG2  ILE  55          2HG2      ILE  55   0.507   9.590  -1.173
  463   3HG2  ILE  55          3HG2      ILE  55  -0.166  10.488   0.187
  464   1HD1  ILE  55          1HD1      ILE  55   2.477  13.920  -1.551
  465   2HD1  ILE  55          2HD1      ILE  55   2.185  12.535  -2.602
  466   3HD1  ILE  55          3HD1      ILE  55   3.465  12.467  -1.390
  467    H    SER  56           H        SER  56   4.829  10.602   2.292
  468    HA   SER  56           HA       SER  56   5.737  13.246   1.352
  469   1HB   SER  56          2HB       SER  56   5.752  12.016   3.973
  470   2HB   SER  56          1HB       SER  56   7.376  12.484   3.477
  471    HG   SER  56           HG       SER  56   6.372  14.243   4.434
  472    HA   PRO  57           HA       PRO  57   9.011  10.189   0.338
  473   1HB   PRO  57          2HB       PRO  57   8.049   8.835  -2.020
  474   2HB   PRO  57          1HB       PRO  57   8.525   8.168  -0.456
  475   1HG   PRO  57          2HG       PRO  57   5.883   8.420  -1.504
  476   2HG   PRO  57          1HG       PRO  57   6.360   7.740   0.044
  477   1HD   PRO  57          2HD       PRO  57   5.058  10.262  -0.437
  478   2HD   PRO  57          1HD       PRO  57   5.552   9.555   1.109
  479    H    GLU  58           H        GLU  58   8.493  12.806  -0.386
  480    HA   GLU  58           HA       GLU  58   9.019  13.000  -3.261
  481   1HB   GLU  58          2HB       GLU  58   8.096  14.827  -1.115
  482   2HB   GLU  58          1HB       GLU  58   9.151  15.552  -2.329
  483   1HG   GLU  58          2HG       GLU  58   7.679  14.689  -4.119
  484   2HG   GLU  58          1HG       GLU  58   6.615  13.989  -2.899
  485    H    GLY  59           H        GLY  59  10.606  13.200  -0.141
  486   1HA   GLY  59          2HA       GLY  59  13.164  13.478  -1.538
  487   2HA   GLY  59          1HA       GLY  59  12.802  14.585  -0.205
  488    H    LYS  60           H        LYS  60  11.847  11.199  -0.512
  489    HA   LYS  60           HA       LYS  60  13.096  10.677   2.099
  490   1HB   LYS  60          2HB       LYS  60  11.033   9.191   0.437
  491   2HB   LYS  60          1HB       LYS  60  11.647   8.590   1.974
  492   1HG   LYS  60          2HG       LYS  60  10.400  11.326   1.661
  493   2HG   LYS  60          1HG       LYS  60   9.483   9.895   2.132
  494   1HD   LYS  60          2HD       LYS  60  10.167  10.143   4.258
  495   2HD   LYS  60          1HD       LYS  60  11.847  10.006   3.739
  496   1HE   LYS  60          2HE       LYS  60  12.186  12.215   4.022
  497   2HE   LYS  60          1HE       LYS  60  10.768  12.609   3.050
  498   1HZ   LYS  60          1HZ       LYS  60   9.622  11.800   5.231
  499   2HZ   LYS  60          2HZ       LYS  60  10.074  13.323   5.041
  500   3HZ   LYS  60          3HZ       LYS  60  10.985  12.320   5.892
  501    H    ALA  61           H        ALA  61  12.966   7.697   1.138
  502    HA   ALA  61           HA       ALA  61  15.641   7.756  -0.068
  503   1HB   ALA  61          1HB       ALA  61  14.941   5.105   0.458
  504   2HB   ALA  61          2HB       ALA  61  14.233   6.000   1.803
  505   3HB   ALA  61          3HB       ALA  61  15.962   6.123   1.474
  506    H    LYS  62           H        LYS  62  12.300   6.989  -0.588
  507    HA   LYS  62           HA       LYS  62  12.625   6.853  -3.348
  508   1HB   LYS  62          2HB       LYS  62  11.602   4.372  -3.331
  509   2HB   LYS  62          1HB       LYS  62  13.319   4.696  -3.547
  510   1HG   LYS  62          2HG       LYS  62  12.652   4.688  -0.736
  511   2HG   LYS  62          1HG       LYS  62  12.109   3.196  -1.494
  512   1HD   LYS  62          2HD       LYS  62  14.894   4.336  -1.821
  513   2HD   LYS  62          1HD       LYS  62  14.465   3.100  -0.636
  514   1HE   LYS  62          2HE       LYS  62  13.936   1.513  -2.313
  515   2HE   LYS  62          1HE       LYS  62  13.844   2.747  -3.569
  516   1HZ   LYS  62          1HZ       LYS  62  15.972   1.276  -3.141
  517   2HZ   LYS  62          2HZ       LYS  62  16.350   2.535  -2.229
  518   3HZ   LYS  62          3HZ       LYS  62  16.044   2.739  -3.786
  519    H    ILE  63           H        ILE  63  10.595   5.010  -1.333
  520    HA   ILE  63           HA       ILE  63   8.389   6.863  -1.677
  521    HB   ILE  63           HB       ILE  63   8.040   6.019  -3.714
  522   1HG1  ILE  63          2HG1      ILE  63   6.639   3.647  -2.672
  523   2HG1  ILE  63          1HG1      ILE  63   6.223   5.143  -1.839
  524   1HG2  ILE  63          1HG2      ILE  63   8.324   3.280  -3.823
  525   2HG2  ILE  63          2HG2      ILE  63   9.557   3.714  -2.637
  526   3HG2  ILE  63          3HG2      ILE  63   9.588   4.429  -4.254
  527   1HD1  ILE  63          1HD1      ILE  63   6.318   5.062  -4.843
  528   2HD1  ILE  63          2HD1      ILE  63   5.423   6.159  -3.791
  529   3HD1  ILE  63          3HD1      ILE  63   4.888   4.490  -3.984
  530    H    GLN  64           H        GLN  64   8.347   6.835   0.628
  531    HA   GLN  64           HA       GLN  64   7.199   4.348   1.763
  532   1HB   GLN  64          2HB       GLN  64   7.755   5.718   3.971
  533   2HB   GLN  64          1HB       GLN  64   9.003   4.769   3.166
  534   1HG   GLN  64          2HG       GLN  64   9.693   6.819   1.913
  535   2HG   GLN  64          1HG       GLN  64   8.518   7.745   2.848
  536   1HE2  GLN  64          1HE2      GLN  64  10.868   5.174   3.803
  537   2HE2  GLN  64          2HE2      GLN  64  11.601   6.097   5.025
  538    H    LEU  65           H        LEU  65   5.060   4.499   2.431
  539    HA   LEU  65           HA       LEU  65   3.961   7.232   2.496
  540   1HB   LEU  65          2HB       LEU  65   1.854   6.369   1.577
  541   2HB   LEU  65          1HB       LEU  65   3.207   6.089   0.494
  542    HG   LEU  65           HG       LEU  65   1.645   4.149   0.666
  543   1HD1  LEU  65          1HD1      LEU  65   4.363   4.122   0.514
  544   2HD1  LEU  65          2HD1      LEU  65   3.335   2.704   0.311
  545   3HD1  LEU  65          3HD1      LEU  65   4.082   3.032   1.872
  546   1HD2  LEU  65          1HD2      LEU  65   1.275   2.948   2.618
  547   2HD2  LEU  65          2HD2      LEU  65   1.344   4.598   3.239
  548   3HD2  LEU  65          3HD2      LEU  65   2.746   3.542   3.383
  549    H    GLN  66           H        GLN  66   1.879   7.402   3.783
  550    HA   GLN  66           HA       GLN  66   1.901   5.520   6.060
  551   1HB   GLN  66          2HB       GLN  66   2.873   8.135   6.154
  552   2HB   GLN  66          1HB       GLN  66   1.252   8.245   6.841
  553   1HG   GLN  66          2HG       GLN  66   1.785   6.368   8.371
  554   2HG   GLN  66          1HG       GLN  66   3.418   6.305   7.706
  555   1HE2  GLN  66          1HE2      GLN  66   4.951   7.654   8.685
  556   2HE2  GLN  66          2HE2      GLN  66   4.578   8.929   9.741
  557    H    LEU  67           H        LEU  67  -0.066   4.842   6.584
  558    HA   LEU  67           HA       LEU  67  -2.430   6.423   5.807
  559   1HB   LEU  67          2HB       LEU  67  -2.349   4.770   4.101
  560   2HB   LEU  67          1HB       LEU  67  -1.809   3.525   5.221
  561    HG   LEU  67           HG       LEU  67  -4.245   4.281   6.303
  562   1HD1  LEU  67          1HD1      LEU  67  -5.257   5.476   4.628
  563   2HD1  LEU  67          2HD1      LEU  67  -5.589   3.863   3.988
  564   3HD1  LEU  67          3HD1      LEU  67  -4.218   4.793   3.376
  565   1HD2  LEU  67          1HD2      LEU  67  -3.871   2.006   6.226
  566   2HD2  LEU  67          2HD2      LEU  67  -3.221   2.064   4.587
  567   3HD2  LEU  67          3HD2      LEU  67  -4.966   2.148   4.847
  568    H    VAL  68           H        VAL  68  -3.842   6.591   7.552
  569    HA   VAL  68           HA       VAL  68  -3.217   4.771   9.788
  570    HB   VAL  68           HB       VAL  68  -4.741   7.311  10.245
  571   1HG1  VAL  68          1HG1      VAL  68  -2.864   5.571  11.852
  572   2HG1  VAL  68          2HG1      VAL  68  -4.608   5.741  12.089
  573   3HG1  VAL  68          3HG1      VAL  68  -3.535   7.093  12.432
  574   1HG2  VAL  68          1HG2      VAL  68  -2.184   7.252   9.125
  575   2HG2  VAL  68          2HG2      VAL  68  -1.919   7.440  10.856
  576   3HG2  VAL  68          3HG2      VAL  68  -2.914   8.608   9.985
  577    H    LEU  69           H        LEU  69  -4.915   4.140  11.115
  578    HA   LEU  69           HA       LEU  69  -7.176   3.254   9.544
  579   1HB   LEU  69          2HB       LEU  69  -6.207   2.710  12.358
  580   2HB   LEU  69          1HB       LEU  69  -7.577   1.894  11.626
  581    HG   LEU  69           HG       LEU  69  -5.080   0.885  11.564
  582   1HD1  LEU  69          1HD1      LEU  69  -7.349   0.693   9.678
  583   2HD1  LEU  69          2HD1      LEU  69  -6.652  -0.534  10.737
  584   3HD1  LEU  69          3HD1      LEU  69  -5.828  -0.091   9.232
  585   1HD2  LEU  69          1HD2      LEU  69  -4.212   1.205   9.214
  586   2HD2  LEU  69          2HD2      LEU  69  -3.986   2.585  10.281
  587   3HD2  LEU  69          3HD2      LEU  69  -5.282   2.595   9.091
  588    H    HIS  70           H        HIS  70  -9.386   3.742  10.110
  589    HA   HIS  70           HA       HIS  70 -10.018   6.284  11.031
  590   1HB   HIS  70          2HB       HIS  70 -11.488   3.659  11.021
  591   2HB   HIS  70          1HB       HIS  70 -12.191   5.020  11.894
  592    HD1  HIS  70           HD1      HIS  70 -13.249   6.875  10.523
  593    HD2  HIS  70           HD2      HIS  70 -11.137   4.159   8.170
  594    HE1  HIS  70           HE1      HIS  70 -13.784   7.447   8.115
  595    H    ALA  71           H        ALA  71  -9.225   3.359  12.660
  596    HA   ALA  71           HA       ALA  71  -9.786   4.304  15.336
  597   1HB   ALA  71          1HB       ALA  71  -9.233   2.176  16.010
  598   2HB   ALA  71          2HB       ALA  71  -7.883   2.059  14.881
  599   3HB   ALA  71          3HB       ALA  71  -9.535   1.821  14.310
  600    H    GLY  72           H        GLY  72  -7.196   3.268  16.392
  601   1HA   GLY  72          2HA       GLY  72  -5.571   5.630  15.699
  602   2HA   GLY  72          1HA       GLY  72  -5.563   4.822  17.269
  603    H    ASP  73           H        ASP  73  -5.317   3.692  13.974
  604    HA   ASP  73           HA       ASP  73  -2.756   2.386  14.729
  605   1HB   ASP  73          2HB       ASP  73  -5.185   1.277  13.384
  606   2HB   ASP  73          1HB       ASP  73  -3.604   0.668  12.889
  607    H    THR  74           H        THR  74  -1.141   2.497  13.240
  608    HA   THR  74           HA       THR  74  -1.738   4.174  10.890
  609    HB   THR  74           HB       THR  74   1.073   3.727  11.701
  610    HG1  THR  74           HG1      THR  74  -0.825   5.112  13.277
  611   1HG2  THR  74          1HG2      THR  74  -0.254   5.422  10.013
  612   2HG2  THR  74          2HG2      THR  74   1.353   5.731  10.670
  613   3HG2  THR  74          3HG2      THR  74  -0.067   6.434  11.445
  614    H    THR  75           H        THR  75  -0.684   3.635   8.904
  615    HA   THR  75           HA       THR  75   0.265   0.854   8.729
  616    HB   THR  75           HB       THR  75  -1.322   2.101   6.507
  617    HG1  THR  75           HG1      THR  75  -2.573   0.566   8.497
  618   1HG2  THR  75          1HG2      THR  75  -1.974  -0.359   6.284
  619   2HG2  THR  75          2HG2      THR  75  -0.761  -0.689   7.522
  620   3HG2  THR  75          3HG2      THR  75  -0.279   0.023   5.982
  621    H    ASN  76           H        ASN  76   2.451   1.358   8.320
  622    HA   ASN  76           HA       ASN  76   2.924   3.502   6.343
  623   1HB   ASN  76          2HB       ASN  76   4.848   2.317   8.359
  624   2HB   ASN  76          1HB       ASN  76   5.136   3.715   7.322
  625   1HD2  ASN  76          1HD2      ASN  76   5.436   5.046   9.310
  626   2HD2  ASN  76          2HD2      ASN  76   4.084   5.556  10.200
  627    H    PHE  77           H        PHE  77   4.087   3.007   4.505
  628    HA   PHE  77           HA       PHE  77   5.299   0.345   4.409
  629   1HB   PHE  77          2HB       PHE  77   2.822   1.033   3.104
  630   2HB   PHE  77          1HB       PHE  77   4.054   0.616   1.915
  631    HD1  PHE  77           HD1      PHE  77   5.694  -1.348   2.971
  632    HD2  PHE  77           HD2      PHE  77   1.497  -0.853   3.725
  633    HE1  PHE  77           HE1      PHE  77   5.530  -3.724   3.549
  634    HE2  PHE  77           HE2      PHE  77   1.332  -3.245   4.294
  635    HZ   PHE  77           HZ       PHE  77   3.374  -4.668   4.196
  636    H    HIS  78           H        HIS  78   6.755   0.062   2.803
  637    HA   HIS  78           HA       HIS  78   7.760   2.484   1.432
  638   1HB   HIS  78          2HB       HIS  78   9.062   2.172   3.528
  639   2HB   HIS  78          1HB       HIS  78   9.510   0.560   3.003
  640    HD1  HIS  78           HD1      HIS  78  11.284   0.325   1.213
  641    HD2  HIS  78           HD2      HIS  78  10.284   4.313   1.893
  642    HE1  HIS  78           HE1      HIS  78  12.915   1.726  -0.107
  643    H    PHE  79           H        PHE  79   9.518   1.807  -0.186
  644    HA   PHE  79           HA       PHE  79   8.940  -0.875  -1.250
  645   1HB   PHE  79          2HB       PHE  79   8.826   1.708  -2.800
  646   2HB   PHE  79          1HB       PHE  79   8.859   0.110  -3.516
  647    HD1  PHE  79           HD1      PHE  79   6.916   2.398  -1.368
  648    HD2  PHE  79           HD2      PHE  79   6.874  -1.319  -3.506
  649    HE1  PHE  79           HE1      PHE  79   4.456   2.260  -1.071
  650    HE2  PHE  79           HE2      PHE  79   4.435  -1.448  -3.210
  651    HZ   PHE  79           HZ       PHE  79   3.227   0.306  -1.993
  652    H    SER  80           H        SER  80  10.614  -1.689  -2.478
  653    HA   SER  80           HA       SER  80  12.897  -0.250  -3.273
  654   1HB   SER  80          2HB       SER  80  13.018  -0.079  -0.717
  655   2HB   SER  80          1HB       SER  80  13.558  -1.761  -0.779
  656    HG   SER  80           HG       SER  80  15.408  -0.673  -0.997
  657    H    ASN  81           H        ASN  81  13.597  -1.441  -4.896
  658    HA   ASN  81           HA       ASN  81  14.088  -4.307  -4.441
  659   1HB   ASN  81          2HB       ASN  81  12.620  -3.084  -6.793
  660   2HB   ASN  81          1HB       ASN  81  13.221  -4.742  -6.765
  661   1HD2  ASN  81          1HD2      ASN  81  12.503  -4.554  -3.679
  662   2HD2  ASN  81          2HD2      ASN  81  10.857  -4.856  -3.663
  663    H    GLU  82           H        GLU  82  15.892  -5.086  -5.583
  664    HA   GLU  82           HA       GLU  82  18.047  -3.470  -6.002
  665   1HB   GLU  82          2HB       GLU  82  18.886  -5.232  -7.573
  666   2HB   GLU  82          1HB       GLU  82  18.244  -5.893  -6.069
  667   1HG   GLU  82          2HG       GLU  82  16.197  -6.546  -7.117
  668   2HG   GLU  82          1HG       GLU  82  16.563  -5.610  -8.568
  669    H    SER  83           H        SER  83  15.378  -4.051  -8.211
  670    HA   SER  83           HA       SER  83  16.384  -1.807  -9.829
  671   1HB   SER  83          2HB       SER  83  15.280  -4.172 -11.265
  672   2HB   SER  83          1HB       SER  83  16.416  -2.950 -11.825
  673    HG   SER  83           HG       SER  83  17.914  -3.890 -10.273
  674    H    THR  84           H        THR  84  13.842  -2.884  -8.050
  675    HA   THR  84           HA       THR  84  11.937  -1.648  -9.938
  676    HB   THR  84           HB       THR  84  11.784  -4.094  -8.209
  677    HG1  THR  84           HG1      THR  84  10.429  -3.550 -10.605
  678   1HG2  THR  84          1HG2      THR  84   9.955  -2.929  -7.243
  679   2HG2  THR  84          2HG2      THR  84   9.250  -3.968  -8.480
  680   3HG2  THR  84          3HG2      THR  84   9.473  -2.250  -8.798
  681    H    ALA  85           H        ALA  85  13.679  -0.410  -7.973
  682    HA   ALA  85           HA       ALA  85  11.859   0.257  -5.783
  683   1HB   ALA  85          1HB       ALA  85  14.466   1.633  -5.929
  684   2HB   ALA  85          2HB       ALA  85  14.551  -0.123  -5.800
  685   3HB   ALA  85          3HB       ALA  85  13.698   0.812  -4.571
  686    H    VAL  86           H        VAL  86  11.286   1.418  -8.585
  687    HA   VAL  86           HA       VAL  86  11.279   4.184  -7.583
  688    HB   VAL  86           HB       VAL  86  12.045   4.984  -9.826
  689   1HG1  VAL  86          1HG1      VAL  86  14.342   4.677  -9.325
  690   2HG1  VAL  86          2HG1      VAL  86  14.059   3.088  -8.614
  691   3HG1  VAL  86          3HG1      VAL  86  13.532   4.541  -7.764
  692   1HG2  VAL  86          1HG2      VAL  86  13.082   2.218 -10.342
  693   2HG2  VAL  86          2HG2      VAL  86  12.748   3.517 -11.487
  694   3HG2  VAL  86          3HG2      VAL  86  11.418   2.591 -10.792
  695    H    LYS  87           H        LYS  87  10.550   4.430 -10.784
  696    HA   LYS  87           HA       LYS  87   8.048   5.319 -10.683
  697   1HB   LYS  87          2HB       LYS  87   9.629   4.636 -12.727
  698   2HB   LYS  87          1HB       LYS  87   8.480   3.302 -12.830
  699   1HG   LYS  87          2HG       LYS  87   6.639   5.088 -12.692
  700   2HG   LYS  87          1HG       LYS  87   7.915   6.264 -13.011
  701   1HD   LYS  87          2HD       LYS  87   8.489   4.549 -14.977
  702   2HD   LYS  87          1HD       LYS  87   6.775   4.170 -14.809
  703   1HE   LYS  87          2HE       LYS  87   6.924   6.977 -14.718
  704   2HE   LYS  87          1HE       LYS  87   8.015   6.494 -16.016
  705   1HZ   LYS  87          1HZ       LYS  87   6.245   6.108 -17.226
  706   2HZ   LYS  87          2HZ       LYS  87   5.253   6.488 -16.029
  707   3HZ   LYS  87          3HZ       LYS  87   5.743   4.976 -16.211
  708    H    GLU  88           H        GLU  88   8.749   1.845 -11.009
  709    HA   GLU  88           HA       GLU  88   6.255   0.744 -11.025
  710   1HB   GLU  88          2HB       GLU  88   7.376  -0.918  -9.287
  711   2HB   GLU  88          1HB       GLU  88   7.925  -0.862 -10.948
  712   1HG   GLU  88          2HG       GLU  88   9.294   1.153  -9.390
  713   2HG   GLU  88          1HG       GLU  88   9.488  -0.433  -8.674
  714    H    ARG  89           H        ARG  89   8.033   1.445  -8.022
  715    HA   ARG  89           HA       ARG  89   5.768   1.128  -6.331
  716   1HB   ARG  89          2HB       ARG  89   8.169   2.875  -5.739
  717   2HB   ARG  89          1HB       ARG  89   7.188   1.950  -4.603
  718   1HG   ARG  89          2HG       ARG  89   8.999   0.756  -6.730
  719   2HG   ARG  89          1HG       ARG  89   9.365   0.842  -5.015
  720   1HD   ARG  89          2HD       ARG  89   8.264  -1.117  -4.736
  721   2HD   ARG  89          1HD       ARG  89   6.782  -0.295  -5.215
  722    HE   ARG  89           HE       ARG  89   8.057  -0.874  -7.567
  723   1HH1  ARG  89          1HH2      ARG  89   7.110  -2.639  -4.762
  724   2HH1  ARG  89          2HH2      ARG  89   6.730  -4.081  -5.638
  725   1HH2  ARG  89          1HH1      ARG  89   7.540  -2.747  -8.727
  726   2HH2  ARG  89          2HH1      ARG  89   6.971  -4.143  -7.875
  727    H    ASP  90           H        ASP  90   7.498   3.860  -7.684
  728    HA   ASP  90           HA       ASP  90   6.171   6.056  -6.803
  729   1HB   ASP  90          2HB       ASP  90   7.886   5.769  -8.792
  730   2HB   ASP  90          1HB       ASP  90   6.426   5.790  -9.782
  731    H    ALA  91           H        ALA  91   4.955   3.828  -9.314
  732    HA   ALA  91           HA       ALA  91   2.472   5.179  -9.650
  733   1HB   ALA  91          1HB       ALA  91   1.833   3.302 -10.944
  734   2HB   ALA  91          2HB       ALA  91   2.897   2.217 -10.050
  735   3HB   ALA  91          3HB       ALA  91   3.579   3.395 -11.170
  736    H    VAL  92           H        VAL  92   3.469   2.313  -7.757
  737    HA   VAL  92           HA       VAL  92   1.125   1.563  -6.574
  738    HB   VAL  92           HB       VAL  92   3.851   1.914  -5.313
  739   1HG1  VAL  92          1HG1      VAL  92   1.271   1.501  -4.028
  740   2HG1  VAL  92          2HG1      VAL  92   2.847   1.802  -3.299
  741   3HG1  VAL  92          3HG1      VAL  92   2.371   0.156  -3.733
  742   1HG2  VAL  92          1HG2      VAL  92   2.287  -0.285  -6.589
  743   2HG2  VAL  92          2HG2      VAL  92   3.320  -0.707  -5.220
  744   3HG2  VAL  92          3HG2      VAL  92   4.020   0.047  -6.656
  745    H    LYS  93           H        LYS  93   3.226   4.144  -5.225
  746    HA   LYS  93           HA       LYS  93   1.251   5.064  -3.378
  747   1HB   LYS  93          2HB       LYS  93   3.503   5.710  -2.935
  748   2HB   LYS  93          1HB       LYS  93   3.732   6.312  -4.576
  749   1HG   LYS  93          2HG       LYS  93   2.293   8.186  -4.191
  750   2HG   LYS  93          1HG       LYS  93   1.702   7.504  -2.676
  751   1HD   LYS  93          2HD       LYS  93   3.270   8.891  -1.758
  752   2HD   LYS  93          1HD       LYS  93   4.361   7.562  -2.154
  753   1HE   LYS  93          2HE       LYS  93   5.489   9.285  -3.196
  754   2HE   LYS  93          1HE       LYS  93   4.421   8.806  -4.515
  755   1HZ   LYS  93          1HZ       LYS  93   3.860  10.934  -2.601
  756   2HZ   LYS  93          2HZ       LYS  93   2.919  10.513  -3.825
  757   3HZ   LYS  93          3HZ       LYS  93   4.353  11.163  -4.106
  758    H    ASP  94           H        ASP  94   1.991   5.694  -6.730
  759    HA   ASP  94           HA       ASP  94   0.391   8.008  -7.077
  760   1HB   ASP  94          2HB       ASP  94   2.132   6.798  -8.678
  761   2HB   ASP  94          1HB       ASP  94   0.684   5.973  -9.255
  762    H    LEU  95           H        LEU  95  -0.366   4.762  -6.399
  763    HA   LEU  95           HA       LEU  95  -3.085   5.042  -7.504
  764   1HB   LEU  95          2HB       LEU  95  -1.319   2.778  -6.782
  765   2HB   LEU  95          1HB       LEU  95  -3.014   2.575  -6.339
  766    HG   LEU  95           HG       LEU  95  -2.643   1.715  -8.602
  767   1HD1  LEU  95          1HD1      LEU  95  -4.022   4.324  -9.099
  768   2HD1  LEU  95          2HD1      LEU  95  -4.691   3.250  -7.871
  769   3HD1  LEU  95          3HD1      LEU  95  -4.525   2.691  -9.535
  770   1HD2  LEU  95          1HD2      LEU  95  -2.085   4.390  -9.743
  771   2HD2  LEU  95          2HD2      LEU  95  -1.435   2.815 -10.198
  772   3HD2  LEU  95          3HD2      LEU  95  -0.761   3.682  -8.817
  773    H    LEU  96           H        LEU  96  -1.359   4.297  -4.453
  774    HA   LEU  96           HA       LEU  96  -3.375   4.028  -2.662
  775   1HB   LEU  96          2HB       LEU  96  -0.951   5.775  -2.227
  776   2HB   LEU  96          1HB       LEU  96  -1.845   4.865  -1.024
  777    HG   LEU  96           HG       LEU  96  -0.084   3.811  -3.225
  778   1HD1  LEU  96          1HD1      LEU  96   1.020   2.655  -1.367
  779   2HD1  LEU  96          2HD1      LEU  96  -0.179   3.292  -0.241
  780   3HD1  LEU  96          3HD1      LEU  96   0.945   4.388  -1.046
  781   1HD2  LEU  96          1HD2      LEU  96  -0.979   1.565  -1.970
  782   2HD2  LEU  96          2HD2      LEU  96  -1.676   2.186  -3.467
  783   3HD2  LEU  96          3HD2      LEU  96  -2.432   2.563  -1.920
  784    H    GLN  97           H        GLN  97  -1.826   7.247  -3.173
  785    HA   GLN  97           HA       GLN  97  -3.871   8.634  -1.794
  786   1HB   GLN  97          2HB       GLN  97  -2.970  10.592  -3.245
  787   2HB   GLN  97          1HB       GLN  97  -1.895   9.862  -2.055
  788   1HG   GLN  97          2HG       GLN  97  -0.985  10.255  -4.466
  789   2HG   GLN  97          1HG       GLN  97  -0.687   8.686  -3.715
  790   1HE2  GLN  97          1HE2      GLN  97  -1.589   6.854  -4.711
  791   2HE2  GLN  97          2HE2      GLN  97  -2.645   6.910  -6.003
  792    H    GLN  98           H        GLN  98  -4.208   6.991  -4.676
  793    HA   GLN  98           HA       GLN  98  -5.997   8.960  -5.870
  794   1HB   GLN  98          2HB       GLN  98  -4.324   6.910  -6.893
  795   2HB   GLN  98          1HB       GLN  98  -5.988   6.427  -7.228
  796   1HG   GLN  98          2HG       GLN  98  -5.834   9.206  -7.757
  797   2HG   GLN  98          1HG       GLN  98  -4.419   8.472  -8.513
  798   1HE2  GLN  98          1HE2      GLN  98  -4.840   7.798 -10.613
  799   2HE2  GLN  98          2HE2      GLN  98  -6.336   7.229 -11.178
  800    H    LEU  99           H        LEU  99  -6.019   5.735  -4.362
  801    HA   LEU  99           HA       LEU  99  -8.910   5.525  -4.706
  802   1HB   LEU  99          2HB       LEU  99  -7.715   3.794  -2.663
  803   2HB   LEU  99          1HB       LEU  99  -8.666   3.352  -4.065
  804    HG   LEU  99           HG       LEU  99  -6.343   4.139  -5.252
  805   1HD1  LEU  99          1HD1      LEU  99  -4.813   2.650  -3.548
  806   2HD1  LEU  99          2HD1      LEU  99  -5.880   3.491  -2.419
  807   3HD1  LEU  99          3HD1      LEU  99  -4.892   4.408  -3.541
  808   1HD2  LEU  99          1HD2      LEU  99  -7.667   1.634  -4.540
  809   2HD2  LEU  99          2HD2      LEU  99  -5.915   1.446  -4.634
  810   3HD2  LEU  99          3HD2      LEU  99  -6.812   2.060  -6.023
  811    H    LEU 100           H        LEU 100  -6.626   6.627  -2.290
  812    HA   LEU 100           HA       LEU 100  -7.972   6.481   0.034
  813   1HB   LEU 100          2HB       LEU 100  -5.954   7.582   0.275
  814   2HB   LEU 100          1HB       LEU 100  -6.197   8.576  -1.155
  815    HG   LEU 100           HG       LEU 100  -7.952   9.856   0.094
  816   1HD1  LEU 100          1HD1      LEU 100  -7.407   9.359   2.744
  817   2HD1  LEU 100          2HD1      LEU 100  -7.367   7.737   2.054
  818   3HD1  LEU 100          3HD1      LEU 100  -8.809   8.736   1.874
  819   1HD2  LEU 100          1HD2      LEU 100  -5.964  11.034   0.173
  820   2HD2  LEU 100          2HD2      LEU 100  -5.085   9.704   0.925
  821   3HD2  LEU 100          3HD2      LEU 100  -6.163  10.708   1.894
  822    HA   PRO 101           HA       PRO 101 -10.737  10.074  -1.557
  823   1HB   PRO 101          2HB       PRO 101 -10.476   9.580  -4.473
  824   2HB   PRO 101          1HB       PRO 101 -10.553  11.124  -3.609
  825   1HG   PRO 101          2HG       PRO 101  -8.248  10.016  -4.668
  826   2HG   PRO 101          1HG       PRO 101  -8.271  11.199  -3.349
  827   1HD   PRO 101          2HD       PRO 101  -7.554   8.392  -3.238
  828   2HD   PRO 101          1HD       PRO 101  -7.428   9.619  -1.968
  829    H    LYS 102           H        LYS 102 -10.484   7.104  -3.445
  830    HA   LYS 102           HA       LYS 102 -13.054   6.691  -4.327
  831   1HB   LYS 102          2HB       LYS 102 -11.067   5.192  -4.674
  832   2HB   LYS 102          1HB       LYS 102 -11.293   4.613  -3.020
  833   1HG   LYS 102          2HG       LYS 102 -12.882   3.190  -3.685
  834   2HG   LYS 102          1HG       LYS 102 -13.807   4.508  -4.409
  835   1HD   LYS 102          2HD       LYS 102 -12.781   4.245  -6.506
  836   2HD   LYS 102          1HD       LYS 102 -11.402   3.379  -5.826
  837   1HE   LYS 102          2HE       LYS 102 -13.703   1.876  -5.143
  838   2HE   LYS 102          1HE       LYS 102 -13.873   2.304  -6.846
  839   1HZ   LYS 102          1HZ       LYS 102 -11.730   1.401  -7.238
  840   2HZ   LYS 102          2HZ       LYS 102 -12.601   0.286  -6.491
  841   3HZ   LYS 102          3HZ       LYS 102 -11.484   1.100  -5.685
  842    H    PHE 103           H        PHE 103 -11.813   6.276  -1.024
  843    HA   PHE 103           HA       PHE 103 -14.577   5.615  -0.217
  844   1HB   PHE 103          2HB       PHE 103 -13.040   4.808   1.888
  845   2HB   PHE 103          1HB       PHE 103 -13.531   3.736   0.583
  846    HD1  PHE 103           HD1      PHE 103 -12.017   3.509  -1.443
  847    HD2  PHE 103           HD2      PHE 103 -10.736   5.373   2.209
  848    HE1  PHE 103           HE1      PHE 103  -9.659   3.264  -2.150
  849    HE2  PHE 103           HE2      PHE 103  -8.371   5.126   1.509
  850    HZ   PHE 103           HZ       PHE 103  -7.830   4.072  -0.674
  851    H    LYS 104           H        LYS 104 -12.282   8.014  -0.238
  852    HA   LYS 104           HA       LYS 104 -13.590   9.342   2.032
  853   1HB   LYS 104          2HB       LYS 104 -10.606   9.526   1.732
  854   2HB   LYS 104          1HB       LYS 104 -11.606   9.859   3.145
  855   1HG   LYS 104          2HG       LYS 104 -11.469   7.075   2.005
  856   2HG   LYS 104          1HG       LYS 104 -10.218   7.654   3.097
  857   1HD   LYS 104          2HD       LYS 104 -11.749   7.987   4.861
  858   2HD   LYS 104          1HD       LYS 104 -13.141   7.913   3.789
  859   1HE   LYS 104          2HE       LYS 104 -13.209   5.790   4.728
  860   2HE   LYS 104          1HE       LYS 104 -12.231   5.488   3.298
  861   1HZ   LYS 104          1HZ       LYS 104 -10.460   6.247   5.137
  862   2HZ   LYS 104          2HZ       LYS 104 -10.758   4.732   4.724
  863   3HZ   LYS 104          3HZ       LYS 104 -11.479   5.367   6.003
  864    H    ARG 105           H        ARG 105 -14.585  10.685   0.382
  865    HA   ARG 105           HA       ARG 105 -12.643  12.467  -0.965
  866   1HB   ARG 105          2HB       ARG 105 -13.920  11.105  -2.566
  867   2HB   ARG 105          1HB       ARG 105 -15.431  11.651  -1.837
  868   1HG   ARG 105          2HG       ARG 105 -14.748  14.016  -2.384
  869   2HG   ARG 105          1HG       ARG 105 -13.386  13.351  -3.287
  870   1HD   ARG 105          2HD       ARG 105 -15.356  11.878  -4.370
  871   2HD   ARG 105          1HD       ARG 105 -16.293  13.307  -3.936
  872    HE   ARG 105           HE       ARG 105 -14.090  14.333  -5.181
  873   1HH1  ARG 105          1HH2      ARG 105 -16.464  11.924  -5.894
  874   2HH1  ARG 105          2HH2      ARG 105 -16.408  12.193  -7.603
  875   1HH2  ARG 105          1HH1      ARG 105 -14.011  14.689  -7.409
  876   2HH2  ARG 105          2HH1      ARG 105 -15.022  13.754  -8.460
  877    H    LYS 106           H        LYS 106 -16.027  12.380   0.221
  878    HA   LYS 106           HA       LYS 106 -15.777  15.251   0.821
  879   1HB   LYS 106          2HB       LYS 106 -17.902  13.547  -0.096
  880   2HB   LYS 106          1HB       LYS 106 -18.370  14.276   1.442
  881   1HG   LYS 106          2HG       LYS 106 -18.609  16.313   0.503
  882   2HG   LYS 106          1HG       LYS 106 -17.043  16.198  -0.301
  883   1HD   LYS 106          2HD       LYS 106 -18.061  14.793  -2.067
  884   2HD   LYS 106          1HD       LYS 106 -19.629  14.948  -1.274
  885   1HE   LYS 106          2HE       LYS 106 -19.915  17.114  -1.959
  886   2HE   LYS 106          1HE       LYS 106 -18.195  17.487  -1.836
  887   1HZ   LYS 106          1HZ       LYS 106 -17.824  16.639  -3.891
  888   2HZ   LYS 106          2HZ       LYS 106 -19.289  17.241  -4.121
  889   3HZ   LYS 106          3HZ       LYS 106 -19.098  15.669  -3.888
  890    H    ALA 107           H        ALA 107 -17.627  15.431   2.895
  891    HA   ALA 107           HA       ALA 107 -16.587  13.646   4.993
  892   1HB   ALA 107          1HB       ALA 107 -16.279  16.612   4.805
  893   2HB   ALA 107          2HB       ALA 107 -15.180  15.411   5.484
  894   3HB   ALA 107          3HB       ALA 107 -16.605  15.916   6.392
  895    H    ASN 108           H        ASN 108 -18.374  16.605   5.580
  896    HA   ASN 108           HA       ASN 108 -20.487  15.116   6.836
  897   1HB   ASN 108          2HB       ASN 108 -19.556  17.558   7.291
  898   2HB   ASN 108          1HB       ASN 108 -20.778  18.003   6.099
  899   1HD2  ASN 108          1HD2      ASN 108 -21.576  19.080   8.315
  900   2HD2  ASN 108          2HD2      ASN 108 -22.671  18.142   9.211