*HEADER    METAL BINDING PROTEIN                   23-JAN-08   2K02              
*TITLE     SOLUTION STRUCTURE OF PUTATIVE FERROUS IRON TRANSPORT                 
*TITLE    2 PROTEIN C (FEOC) OF KLEBSIELLA PNEUMONIAE                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN C;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP.                    
*SOURCE   3 PNEUMONIAE;                                                          
*SOURCE   4 ORGANISM_TAXID: 72407;                                               
*SOURCE   5 GENE: FEOC;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET22B(+)                                  
*KEYWDS    FERROUS IRON TRANSPORT PROTEIN C, FEOC, KLEBSIELLA                    
*KEYWDS   2 PNEUMONIAE, NMR, IRON-SULFUR, METAL-BINDING, METAL BINDING           
*KEYWDS   3 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.HUNG, Y.LIN, J.CHEN, T.HUANG                                        
*REVDAT   1   27-JAN-09 2K02    0                                                


 ASSI {   37}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.400     1.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.55257E-03 ppm1      7.696 ppm2      8.821 CV     1
 OR {   37}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {   38}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.700     2.800     1.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.17779E-03 ppm1      7.696 ppm2      0.808 CV     1
 OR {   38}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   46}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      5.800     4.200     0.200 peak    46 spectrum    1 weight  0.10000E+01 volume  0.53527E-04 ppm1      7.635 ppm2      1.997 CV     1
 OR {   46}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   63}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.13455E-02 ppm1      8.222 ppm2      7.693 CV     1
 OR {   63}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {   76}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.18931E-02 ppm1      7.696 ppm2      4.347 CV     1
 OR {   76}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  141}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      6.000     5.800     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.20084E-04 ppm1      7.636 ppm2      0.869 CV     1
 OR {  141}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  147}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.300     1.400     1.400 peak   147 spectrum    1 weight  0.10000E+01 volume  0.80433E-03 ppm1      8.175 ppm2      4.343 CV     1
 OR {  147}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  203}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.13455E-04 ppm1      9.135 ppm2      1.633 CV     1
 OR {  203}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  222}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      5.800     4.200     0.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.57946E-04 ppm1      7.068 ppm2      0.728 CV     1
 OR {  222}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  223}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.29790E-03 ppm1      7.068 ppm2      3.850 CV     1
 OR {  223}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  236}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.17874E-02 ppm1      7.697 ppm2      1.964 CV     1
 OR {  236}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  237}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      1.600     0.300     0.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.33538E-01 ppm1      7.697 ppm2      2.161 CV     1
 OR {  237}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  254}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.700     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.50741E-04 ppm1      7.905 ppm2      1.531 CV     1
 OR {  254}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI {  285}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.41802E-03 ppm1      7.972 ppm2      4.136 CV     1
 OR {  285}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  313}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HD3 ))
      3.100     1.200     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.49586E-03 ppm1      9.150 ppm2      3.770 CV     1
 OR {  313}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  315}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG3 ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      9.149 ppm2      2.452 CV     1
 OR {  315}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI {  322}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      4.300     2.300     1.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.36229E-03 ppm1      7.050 ppm2      0.864 CV     1
 OR {  322}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI {  346}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.300     2.300     1.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.48145E-03 ppm1      7.232 ppm2      1.426 CV     1
 OR {  346}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG13))
 ASSI {  358}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      4.900     3.000     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.22967E-03 ppm1      9.040 ppm2      1.430 CV     1
 OR {  358}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG13))
 ASSI {  383}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.900     2.900     3.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.49875E-02 ppm1      7.329 ppm2      2.154 CV     1
 OR {  383}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI {  455}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.27195E-03 ppm1      7.650 ppm2      4.240 CV     1
 OR {  455}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  458}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.000     1.100     1.100 peak   458 spectrum    1 weight  0.10000E+01 volume  0.81015E-03 ppm1      7.650 ppm2      8.040 CV     1
 OR {  458}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  460}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      3.400     1.500     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.66393E-03 ppm1      8.036 ppm2      4.222 CV     1
 OR {  460}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  516}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.74283E-03 ppm1      9.049 ppm2      4.724 CV     1
 OR {  516}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  528}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      4.000     2.000     2.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.41899E-03 ppm1      8.721 ppm2      1.758 CV     1
 OR {  528}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI {  596}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      8.322 ppm2      4.382 CV     1
 OR {  596}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  606}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.300     1.400     1.400 peak   606 spectrum    1 weight  0.10000E+01 volume  0.80334E-03 ppm1      8.477 ppm2      4.386 CV     1
 OR {  606}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  649}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      1.600     1.600     4.400 peak   649 spectrum    1 weight  0.10000E+01 volume  0.53623E-01 ppm1      8.445 ppm2      1.709 CV     1
 OR {  649}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI {  726}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      3.500     1.600     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.81690E-03 ppm1      8.580 ppm2      1.746 CV     1
 OR {  726}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI {  727}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.300     1.400     1.400 peak   727 spectrum    1 weight  0.10000E+01 volume  0.85519E-03 ppm1      8.580 ppm2      1.534 CV     1
 OR {  727}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG3 ))
 ASSI {  755}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.66208E-03 ppm1      9.026 ppm2      4.733 CV     1
 OR {  755}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {   39}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.967 ppm2      4.032 CV     1
 OR {   39}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {   42}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak    42 spectrum    1 weight  0.10000E+01 volume  0.43218E-02 ppm1      0.891 ppm2      3.966 CV     1
 OR {   42}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {   68}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.10077E-01 ppm1      1.978 ppm2      7.696 CV     1
 OR {   68}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  121}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 22   and name HD2%)
      3.500     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      2.472 ppm2      0.856 CV     1
 OR {  121}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  173}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.200     0.600     0.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.24298E-01 ppm1      4.170 ppm2      1.751 CV     1
 OR {  173}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  228}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.90803E-03 ppm1      1.737 ppm2      9.137 CV     1
 OR {  228}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  229}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.800     1.800     1.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.12467E-02 ppm1      5.214 ppm2      1.317 CV     1
 OR {  229}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
 ASSI {  277}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      3.100     3.100     2.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.55966E-02 ppm1      1.610 ppm2      2.258 CV     1
 OR {  277}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
 ASSI {  288}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      3.600     1.600     1.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      3.817 ppm2      0.717 CV     1
 OR {  288}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI {  305}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HE3 ))
      2.800     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.42223E-02 ppm1      1.381 ppm2      2.943 CV     1
 OR {  305}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HE2 ))
 OR {  305}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HE2 ))
 OR {  305}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HE2 ))
 ASSI {  344}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.451 ppm2      2.155 CV     1
 OR {  344}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  344}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  405}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.94798E-02 ppm1      4.138 ppm2      7.756 CV     1
 OR {  405}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  443}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG2%)
      2.200     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.18224E-01 ppm1      1.618 ppm2      0.792 CV     1
 OR {  443}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 26   and name HD2%)
 OR {  443}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  444}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 26   and name HD1%)
      6.000     6.000     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.82841E-05 ppm1      1.618 ppm2      0.631 CV     1
 OR {  444}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  444}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI {  458}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HD3 ))
      2.100     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.59151E-02 ppm1      2.064 ppm2      3.761 CV     1
 OR {  458}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  461}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.064 ppm2      2.149 CV     1
 OR {  461}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  479}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      6.000     6.000     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.31469E-05 ppm1      1.212 ppm2      3.954 CV     1
 OR {  479}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  484}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.66122E-02 ppm1      2.166 ppm2      3.752 CV     1
 OR {  484}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HD3 ))
 ASSI {  485}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.90803E-02 ppm1      2.449 ppm2      3.752 CV     1
 OR {  485}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 31   and name HD3 ))
 ASSI {  493}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      2.128 CV     1
 OR {  493}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG3 ))
 ASSI {  542}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.31667E-02 ppm1      4.151 ppm2      1.444 CV     1
 OR {  542}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
 ASSI {  586}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB  ))
      3.300     1.400     1.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.38240E-02 ppm1      0.432 ppm2      2.179 CV     1
 OR {  586}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  655}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
      3.300     1.400     1.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.31867E-02 ppm1      3.407 ppm2      0.862 CV     1
 OR {  655}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  664}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     6.000     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.15814E-05 ppm1      4.014 ppm2      1.952 CV     1
 OR {  664}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
 OR {  664}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
 ASSI {  677}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13384E-01 ppm1      2.279 ppm2      7.790 CV     1
 OR {  677}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  678}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      2.530 ppm2      7.790 CV     1
 OR {  678}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  693}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.94600E-02 ppm1      1.952 ppm2      3.940 CV     1
 OR {  693}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 OR {  693}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  883}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.400     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.89236E-04 ppm1      0.791 ppm2      4.734 CV     1
 OR {  883}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  900}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.945 ppm2      1.751 CV     1
 OR {  900}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI {  930}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.13205E-02 ppm1      4.183 ppm2      8.458 CV     1
 OR {  930}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  935}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.66724E-02 ppm1      1.136 ppm2      4.517 CV     1
 OR {  935}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  939}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.100     0.600     0.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.22904E-01 ppm1      4.450 ppm2      3.882 CV     1
 OR {  939}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  947}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.30273E-02 ppm1      4.450 ppm2      8.490 CV     1
 OR {  947}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  951}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.54771E-02 ppm1      3.843 ppm2      4.426 CV     1
 OR {  951}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  951}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  962}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.912 ppm2      2.246 CV     1
 OR {  962}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  970}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      5.300     3.600     0.700 peak   970 spectrum    1 weight  0.10000E+01 volume  0.12308E-03 ppm1      4.217 ppm2      2.035 CV     1
 OR {  970}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI {  971}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.000     0.500     0.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.29675E-01 ppm1      4.217 ppm2      1.932 CV     1
 OR {  971}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1030}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.97192E-03 ppm1      3.869 ppm2      4.373 CV     1
 OR { 1030}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1031}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      3.818 CV     1
 OR { 1031}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR { 1031}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 1031}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1034}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.61539E-04 ppm1      3.869 ppm2      8.464 CV     1
 OR { 1034}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1038}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.57758E-03 ppm1      3.826 ppm2      4.373 CV     1
 OR { 1038}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.100     0.600     0.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.24895E-01 ppm1      3.825 ppm2      8.230 CV     1
 OR { 1040}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1057}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.63139E-03 ppm1      3.825 ppm2      4.427 CV     1
 OR { 1057}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR { 1057}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1058}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.12627E-01 ppm1      3.869 ppm2      4.427 CV     1
 OR { 1058}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1058}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1061}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.428 ppm2      4.377 CV     1
 OR { 1061}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1083}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     6.000     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.13285E-06 ppm1      4.504 ppm2      8.428 CV     1
 OR { 1083}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1091}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      1.900     0.400     0.400 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.36646E-01 ppm1      4.274 ppm2      1.711 CV     1
 OR { 1091}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1093}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG3 ))
      2.500     0.800     0.800 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.12747E-01 ppm1      4.274 ppm2      1.395 CV     1
 OR { 1093}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1093}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1095}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD3 ))
      6.000     6.000     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.53975E-06 ppm1      4.274 ppm2      1.627 CV     1
 OR { 1095}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
 OR { 1095}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI { 1125}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.000     0.500     0.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.30671E-01 ppm1      4.396 ppm2      3.824 CV     1
 OR { 1125}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1126}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      5.600     3.900     0.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.81267E-04 ppm1      4.396 ppm2      3.871 CV     1
 OR { 1126}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI { 1132}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      1.900     0.500     0.500 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.44215E-01 ppm1      4.396 ppm2      8.254 CV     1
 OR { 1132}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 1132}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1155}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.000     0.500     0.500 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.38240E-01 ppm1      1.877 ppm2      4.351 CV     1
 OR { 1155}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1226}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      2.800     1.000     1.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.45011E-02 ppm1      4.244 ppm2      1.342 CV     1
 OR { 1226}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HB% )
 ASSI { 1230}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.55569E-02 ppm1      4.244 ppm2      8.251 CV     1
 OR { 1230}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1238}
   (  segid "    " and resid 69   and name HB% )
   (( segid "    " and resid 70   and name HN  ))
      1.700     0.400     0.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.10077E+00 ppm1      1.338 ppm2      8.251 CV     1
 OR { 1238}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1254}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      4.600     2.700     1.400 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.13443E-03 ppm1      4.486 ppm2      8.433 CV     1
 OR { 1254}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1301}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.44613E-02 ppm1      1.735 ppm2      4.359 CV     1
 OR { 1301}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1321}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.700     1.300 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.29875E-03 ppm1      1.735 ppm2      8.404 CV     1
 OR { 1321}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1429}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.784 ppm2      1.976 CV     1
 OR { 1429}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1491}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      5.900     4.400     0.100 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.37046E-04 ppm1      4.513 ppm2      7.658 CV     1
 OR { 1491}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1576}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 32   and name HD1%)
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.714 ppm2      0.816 CV     1
 OR { 1576}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1586}
   (  segid "    " and resid 7    and name HG1%)
   (( segid "    " and resid 10   and name HB3 ))
      5.300     3.500     0.700 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.12109E-03 ppm1      0.639 ppm2      2.171 CV     1
 OR { 1586}
   (  segid "    " and resid 7    and name HG1%)
   (( segid "    " and resid 36   and name HB3 ))
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /usrtmp1/kuowei/KP5112V0/KP5112V0-TALOS.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   1 and name C)
       (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       1.0 -108  65 2

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -110  36 2

! Talos derived phi restraint:
assign (resid   3 and name C)
       (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -128  49 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -69  26 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -99  33 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -114  49 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -82  65 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -71  20 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -91  37 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -130  24 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -109  49 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -106  40 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -104  32 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -103  35 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -99  28 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -100  24 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -98  43 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -90  44 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -106  49 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -103  23 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -108  41 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -92  43 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -94  34 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -97  41 2

! Talos derived psi restraint:
assign (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       (resid   3 and name N)
       1.0 133  58 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 154  46 2

! Talos derived psi restraint:
assign (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       (resid   5 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -41  24 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 155  20 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -31  20 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0   0  25 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 142  48 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 132  32 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -29  25 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -36  25 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 -36  21 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -24  26 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0   1  30 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 140  33 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 124  38 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 129  36 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 131  33 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 135  36 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 132  37 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0   0  36 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 122  56 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 134  42 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 135  30 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 139  21 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 141  37 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 128  53 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 133  47 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 143  46 2

#helixe01
assign (resid 8 and name N) (resid 4 and name O) 3.2 1 0
assign (resid 8 and name HN) (resid 4 and name O) 2.2 1 0
assign (resid 9 and name N) (resid 5 and name O) 3.2 1 0
assign (resid 9 and name HN) (resid 5 and name O) 2.2 1 0
assign (resid 10 and name N) (resid 6 and name O) 3.2 1 0
assign (resid 10 and name HN) (resid 6 and name O) 2.2 1 0
assign (resid 11 and name N) (resid 7 and name O) 3.2 1 0
assign (resid 11 and name HN) (resid 7 and name O) 2.2 1 0
assign (resid 12 and name N) (resid 8 and name O) 3.2 1 0
assign (resid 12 and name HN) (resid 8 and name O) 2.2 1 0
assign (resid 13 and name N) (resid 9 and name O) 3.2 1 0
assign (resid 13 and name HN) (resid 9 and name O) 2.2 1 0
#helixe02
assign (resid 23 and name N) (resid 19 and name O) 3.2 1 0
assign (resid 23 and name HN) (resid 19 and name O) 2.2 1 0
assign (resid 24 and name N) (resid 20 and name O) 3.2 1 0
assign (resid 24 and name HN) (resid 20 and name O) 2.2 1 0
assign (resid 25 and name N) (resid 21 and name O) 3.2 1 0
assign (resid 25 and name HN) (resid 21 and name O) 2.2 1 0
#helixe03
assign (resid 37 and name N) (resid 33 and name O) 3.2 1 0
assign (resid 37 and name HN) (resid 33 and name O) 2.2 1 0
assign (resid 38 and name N) (resid 34 and name O) 3.2 1 0
assign (resid 38 and name HN) (resid 34 and name O) 2.2 1 0
assign (resid 39 and name N) (resid 35 and name O) 3.2 1 0
assign (resid 39 and name HN) (resid 35 and name O) 2.2 1 0
assign (resid 40 and name N) (resid 36 and name O) 3.2 1 0
assign (resid 40 and name HN) (resid 36 and name O) 2.2 1 0
assign (resid 41 and name N) (resid 37 and name O) 3.2 1 0
assign (resid 41 and name HN) (resid 37 and name O) 2.2 1 0
assign (resid 42 and name N) (resid 38 and name O) 3.2 1 0
assign (resid 42 and name HN) (resid 38 and name O) 2.2 1 0
#strand02-03
assign (resid 51 and name N) (resid 73 and name O) 3.2 1 0
assign (resid 51 and name HN) (resid 73 and name O) 2.2 1 0
assign (resid 73 and name N) (resid 51 and name O) 3.2 1 0
assign (resid 73 and name HN) (resid 51 and name O) 2.2 1 0
assign (resid 77 and name N) (resid 47 and name O) 3.2 1 0
assign (resid 77 and name HN) (resid 47 and name O) 2.2 1 0
assign (resid 47 and name N) (resid 77 and name O) 3.2 1 0
assign (resid 47 and name HN) (resid 77 and name O) 2.2 1 0
assign (resid 49 and name N) (resid 75 and name O) 3.2 1 0
assign (resid 49 and name HN) (resid 75 and name O) 2.2 1 0
assign (resid 75 and name N) (resid 49 and name O) 3.2 1 0
assign (resid 75 and name HN) (resid 49 and name O) 2.2 1 0
#strand01-03
assign (resid 17 and name N) (resid 76 and name O) 3.2 1 0
assign (resid 17 and name HN) (resid 76 and name O) 2.2 1 0
assign (resid 76 and name N) (resid 17 and name O) 3.2 1 0
assign (resid 76 and name HN) (resid 17 and name O) 2.2 1 0

MET 
 ALA 
 SER 
 LEU 
 MET 
 GLU 
 VAL 
 ARG 
 ASP 
 MET 
 LEU 
 ALA 
 LEU 
 GLN 
 GLY 
 ARG 
 MET 
 GLU 
 ALA 
 LYS 
 GLN 
 LEU 
 SER 
 ALA 
 ARG 
 LEU 
 GLN 
 THR 
 PRO 
 GLN 
 PRO 
 LEU 
 ILE 
 ASP 
 ALA 
 MET 
 LEU 
 GLU 
 ARG 
 MET 
 GLU 
 ALA 
 MET 
 GLY 
 LYS 
 VAL 
 VAL 
 ARG 
 ILE 
 SER 
 GLU 
 THR 
 SER 
 GLU 
 GLY 
 CYS 
 LEU 
 SER 
 GLY 
 SER 
 CYS 
 LYS 
 SER 
 CYS 
 PRO 
 GLU 
 GLY 
 LYS 
 ALA 
 ALA 
 CYS 
 ARG 
 GLN 
 GLU 
 TRP 
 TRP 
 ALA 
 LEU 
 ARG 
  
 ASSI {    3}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      4.100     2.100     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.42571E-03 ppm1      8.811 ppm2      2.275 CV     1
 ASSI {    4}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.700     1.700     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.25178E-03 ppm1      8.809 ppm2      3.938 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.10570E-02 ppm1      8.809 ppm2      4.715 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     2.400     3.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.44014E-02 ppm1      8.809 ppm2      7.684 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.400     3.400     2.600 peak     9 spectrum    1 weight  0.10000E+01 volume  0.63135E-03 ppm1      8.809 ppm2      1.936 CV     1
 ASSI {   11}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      3.300     1.400     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.43244E-03 ppm1      8.646 ppm2      4.287 CV     1
 ASSI {   13}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      5.200     3.300     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.33635E-03 ppm1      8.753 ppm2      1.288 CV     1
 ASSI {   14}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.58139E-03 ppm1      8.647 ppm2      3.968 CV     1
 ASSI {   15}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     6.000     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.35076E-06 ppm1      8.647 ppm2      3.915 CV     1
 ASSI {   16}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.400     1.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.40841E-03 ppm1      8.646 ppm2      4.715 CV     1
 ASSI {   17}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.400     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.40456E-03 ppm1      8.182 ppm2      7.698 CV     1
 ASSI {   19}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.300     1.400     1.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.35269E-03 ppm1      8.183 ppm2      8.643 CV     1
 ASSI {   20}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      3.100     1.200     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      8.183 ppm2      4.289 CV     1
 ASSI {   21}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.22390E-03 ppm1      8.183 ppm2      4.028 CV     1
 ASSI {   22}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.38246E-03 ppm1      8.183 ppm2      2.576 CV     1
 OR {   22}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {   24}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      3.500     1.600     1.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.35557E-03 ppm1      8.183 ppm2      1.771 CV     1
 ASSI {   25}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.000     2.000     2.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.32577E-03 ppm1      8.183 ppm2      1.574 CV     1
 ASSI {   26}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     2.300     3.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.47568E-02 ppm1      8.183 ppm2      3.968 CV     1
 ASSI {   27}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      2.700     2.700     3.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.88396E-03 ppm1      8.182 ppm2      0.868 CV     1
 ASSI {   28}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.700     1.700     1.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.77074E-03 ppm1      7.696 ppm2      2.279 CV     1
 ASSI {   30}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      3.300     1.300     1.300 peak    30 spectrum    1 weight  0.10000E+01 volume  0.61789E-03 ppm1      7.696 ppm2      1.977 CV     1
 OR {   30}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {   31}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG3 ))
      6.000     4.800     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.26906E-04 ppm1      7.696 ppm2      2.564 CV     1
 OR {   31}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {   32}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.700     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.37863E-04 ppm1      7.696 ppm2      4.324 CV     1
 ASSI {   40}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      3.300     1.400     1.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.43052E-03 ppm1      7.636 ppm2      2.134 CV     1
 ASSI {   42}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.59387E-03 ppm1      7.638 ppm2      0.815 CV     1
 ASSI {   43}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.500     2.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.33826E-03 ppm1      7.636 ppm2      1.830 CV     1
 ASSI {   44}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      4.400     2.400     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.27293E-03 ppm1      7.636 ppm2      2.270 CV     1
 ASSI {   48}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.700     1.700     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.47955E-03 ppm1      7.636 ppm2      4.027 CV     1
 ASSI {   49}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      5.000     3.200     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.75050E-04 ppm1      8.476 ppm2      1.947 CV     1
 ASSI {   50}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak    50 spectrum    1 weight  0.10000E+01 volume  0.40073E-03 ppm1      7.636 ppm2      8.211 CV     1
 ASSI {   51}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.800     1.800     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.44014E-03 ppm1      7.636 ppm2      8.815 CV     1
 ASSI {   52}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak    52 spectrum    1 weight  0.10000E+01 volume  0.82464E-03 ppm1      8.222 ppm2      1.820 CV     1
 ASSI {   53}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.21045E-02 ppm1      8.222 ppm2      2.043 CV     1
 ASSI {   54}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      4.400     2.400     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.12974E-03 ppm1      8.222 ppm2      2.130 CV     1
 ASSI {   55}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.13069E-02 ppm1      8.222 ppm2      0.821 CV     1
 ASSI {   57}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      3.800     1.800     1.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.90817E-03 ppm1      8.222 ppm2      1.455 CV     1
 ASSI {   58}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.222 ppm2      3.348 CV     1
 ASSI {   59}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.22006E-02 ppm1      8.222 ppm2      3.606 CV     1
 ASSI {   60}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      1.900     1.900     4.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.25178E-01 ppm1      8.222 ppm2      4.026 CV     1
 ASSI {   64}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      6.000     6.000     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14607E-06 ppm1      8.222 ppm2      0.867 CV     1
 ASSI {   65}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.300     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.56987E-03 ppm1      8.222 ppm2      8.801 CV     1
 ASSI {   66}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.600     2.600     1.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.31424E-03 ppm1      8.814 ppm2      1.825 CV     1
 OR {   66}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG3 ))
 ASSI {   67}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.200     1.300     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.33057E-03 ppm1      8.814 ppm2      2.035 CV     1
 ASSI {   68}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.100     3.100     2.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.23639E-02 ppm1      8.814 ppm2      1.474 CV     1
 ASSI {   69}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.25754E-03 ppm1      8.814 ppm2      2.569 CV     1
 ASSI {   70}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.700     1.700     1.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.40456E-03 ppm1      8.814 ppm2      2.670 CV     1
 ASSI {   71}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     2.400     3.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.50932E-02 ppm1      8.814 ppm2      3.595 CV     1
 ASSI {   73}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.600     1.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.35941E-03 ppm1      8.814 ppm2      4.336 CV     1
 ASSI {   74}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.37095E-03 ppm1      8.814 ppm2      7.702 CV     1
 ASSI {   77}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak    77 spectrum    1 weight  0.10000E+01 volume  0.50836E-03 ppm1      7.705 ppm2      4.352 CV     1
 ASSI {   79}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.300     1.400     1.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.48818E-03 ppm1      7.705 ppm2      2.660 CV     1
 ASSI {   81}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.700     1.700     1.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.71690E-03 ppm1      7.705 ppm2      2.196 CV     1
 ASSI {   82}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.11051E-02 ppm1      7.705 ppm2      1.989 CV     1
 ASSI {   86}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak    86 spectrum    1 weight  0.10000E+01 volume  0.61691E-03 ppm1      7.705 ppm2      8.086 CV     1
 ASSI {   88}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     2.500     3.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.33730E-02 ppm1      7.705 ppm2      9.147 CV     1
 ASSI {   89}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG1%)
      4.200     2.200     1.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.20661E-03 ppm1      8.086 ppm2      0.621 CV     1
 ASSI {   90}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      3.800     1.800     1.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.48434E-03 ppm1      8.087 ppm2      0.903 CV     1
 OR {   90}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {   91}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.31135E-03 ppm1      8.087 ppm2      1.300 CV     1
 ASSI {   92}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.800     2.900     1.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.23159E-03 ppm1      8.087 ppm2      1.477 CV     1
 ASSI {   93}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.900     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.41994E-04 ppm1      8.087 ppm2      1.668 CV     1
 ASSI {   94}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      3.800     1.900     1.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.49491E-03 ppm1      8.087 ppm2      1.798 CV     1
 ASSI {   95}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.55064E-03 ppm1      8.087 ppm2      1.982 CV     1
 ASSI {   96}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.91670E-03 ppm1      8.087 ppm2      2.202 CV     1
 ASSI {   99}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.500     1.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.48145E-03 ppm1      8.087 ppm2      3.604 CV     1
 ASSI {  101}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.98006E-03 ppm1      8.087 ppm2      4.349 CV     1
 ASSI {  105}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      3.400     3.400     2.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.74078E-03 ppm1      8.561 ppm2      0.956 CV     1
 ASSI {  108}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.100     2.100     3.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.16528E-01 ppm1      8.561 ppm2      1.952 CV     1
 ASSI {  109}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      1.800     1.800     4.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15568E-01 ppm1      8.561 ppm2      1.294 CV     1
 ASSI {  110}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      1.600     1.600     4.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.54969E-01 ppm1      8.561 ppm2      4.045 CV     1
 ASSI {  111}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.35171E-03 ppm1      8.561 ppm2      4.349 CV     1
 ASSI {  115}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.67643E-03 ppm1      8.561 ppm2      7.581 CV     1
 ASSI {  116}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.52758E-03 ppm1      8.561 ppm2      8.086 CV     1
 ASSI {  117}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      4.600     2.700     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.98006E-04 ppm1      7.696 ppm2      2.264 CV     1
 ASSI {  119}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.400     1.400     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.56121E-03 ppm1      7.585 ppm2      1.479 CV     1
 ASSI {  120}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.16624E-02 ppm1      7.585 ppm2      1.726 CV     1
 ASSI {  122}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     3.300     2.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.26426E-03 ppm1      7.585 ppm2      2.003 CV     1
 ASSI {  123}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.900     1.900     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.43436E-03 ppm1      7.585 ppm2      2.464 CV     1
 OR {  123}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI {  124}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.65342E-03 ppm1      7.585 ppm2      4.030 CV     1
 ASSI {  125}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.42571E-03 ppm1      7.585 ppm2      4.203 CV     1
 ASSI {  126}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.29790E-03 ppm1      7.585 ppm2      4.374 CV     1
 ASSI {  127}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      5.000     3.100     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.12493E-03 ppm1      7.695 ppm2      0.810 CV     1
 ASSI {  130}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.56313E-03 ppm1      7.585 ppm2      8.364 CV     1
 ASSI {  133}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.600     1.600     1.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.55449E-03 ppm1      8.362 ppm2      2.471 CV     1
 OR {  133}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI {  134}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      4.400     2.400     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.36710E-03 ppm1      8.362 ppm2      2.244 CV     1
 ASSI {  135}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.000     2.000     4.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.13455E-01 ppm1      8.362 ppm2      1.767 CV     1
 ASSI {  136}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      4.000     2.000     2.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.39497E-03 ppm1      8.362 ppm2      0.905 CV     1
 ASSI {  137}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      1.800     1.800     4.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.21141E-01 ppm1      8.362 ppm2      4.197 CV     1
 ASSI {  138}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.22487E-03 ppm1      8.362 ppm2      4.344 CV     1
 ASSI {  145}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.400     1.500     1.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.72762E-03 ppm1      8.175 ppm2      2.252 CV     1
 ASSI {  146}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak   146 spectrum    1 weight  0.10000E+01 volume  0.48626E-03 ppm1      8.175 ppm2      2.049 CV     1
 ASSI {  148}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.500     2.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.24217E-03 ppm1      8.175 ppm2      7.585 CV     1
 ASSI {  151}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.61789E-03 ppm1      8.175 ppm2      8.366 CV     1
 ASSI {  153}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      4.500     2.600     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.40265E-03 ppm1      7.842 ppm2      1.328 CV     1
 ASSI {  154}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      5.300     3.500     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.46608E-04 ppm1      7.842 ppm2      0.904 CV     1
 ASSI {  155}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      4.000     2.000     2.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.44973E-03 ppm1      7.842 ppm2      1.752 CV     1
 ASSI {  156}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      3.600     1.600     1.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.66307E-03 ppm1      7.842 ppm2      2.320 CV     1
 ASSI {  157}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD3 ))
      2.000     0.500     0.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.49491E-02 ppm1      7.842 ppm2      2.560 CV     1
 ASSI {  158}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.800     1.800     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.48434E-03 ppm1      7.842 ppm2      3.622 CV     1
 ASSI {  159}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.000     1.200     1.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.59869E-03 ppm1      7.842 ppm2      4.343 CV     1
 ASSI {  160}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.41514E-03 ppm1      7.842 ppm2      5.238 CV     1
 ASSI {  162}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.28254E-03 ppm1      7.842 ppm2      8.180 CV     1
 ASSI {  163}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.54391E-03 ppm1      7.842 ppm2      9.115 CV     1
 ASSI {  165}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.000     2.000     2.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.19989E-03 ppm1      9.105 ppm2      2.904 CV     1
 OR {  165}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  167}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      4.600     2.600     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.16816E-03 ppm1      9.105 ppm2      2.253 CV     1
 ASSI {  168}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.15759E-02 ppm1      9.105 ppm2      1.589 CV     1
 ASSI {  170}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      3.500     1.500     1.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.76981E-03 ppm1      9.105 ppm2      1.332 CV     1
 ASSI {  171}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.200     2.200     1.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.31328E-03 ppm1      9.105 ppm2      0.881 CV     1
 ASSI {  172}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.16337E-03 ppm1      9.105 ppm2      5.132 CV     1
 ASSI {  179}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      3.400     1.500     1.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.56794E-03 ppm1      9.003 ppm2      2.443 CV     1
 OR {  179}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  185}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.800     1.800     1.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.66012E-03 ppm1      8.646 ppm2      1.552 CV     1
 ASSI {  186}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.800     1.800     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.32289E-03 ppm1      9.003 ppm2      7.061 CV     1
 ASSI {  190}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      2.700     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.13646E-02 ppm1     10.079 ppm2      1.424 CV     1
 ASSI {  191}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      5.400     3.700     0.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.76598E-04 ppm1     10.079 ppm2      0.727 CV     1
 ASSI {  193}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      4.300     2.300     1.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.25082E-03 ppm1     10.079 ppm2      1.800 CV     1
 ASSI {  196}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.300     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.24985E-02 ppm1     10.079 ppm2      4.711 CV     1
 ASSI {  197}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.77841E-03 ppm1     10.079 ppm2      7.066 CV     1
 ASSI {  199}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     6.000     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.14896E-04 ppm1     10.079 ppm2      9.026 CV     1
 ASSI {  201}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.85718E-03 ppm1      8.646 ppm2      1.780 CV     1
 ASSI {  202}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      3.200     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.67266E-03 ppm1      9.135 ppm2      1.403 CV     1
 ASSI {  204}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.200     1.300     1.300 peak   204 spectrum    1 weight  0.10000E+01 volume  0.11916E-02 ppm1      9.135 ppm2      1.764 CV     1
 ASSI {  206}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      4.100     2.100     1.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.26139E-03 ppm1      9.135 ppm2      2.233 CV     1
 ASSI {  207}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.000     2.000     4.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.12493E-01 ppm1      9.135 ppm2      3.821 CV     1
 ASSI {  208}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.35557E-03 ppm1      9.135 ppm2      4.384 CV     1
 ASSI {  214}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.25658E-03 ppm1      9.135 ppm2     10.062 CV     1
 ASSI {  215}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     3.300     2.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.14222E-02 ppm1      9.135 ppm2      0.799 CV     1
 ASSI {  216}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak   216 spectrum    1 weight  0.10000E+01 volume  0.91471E-03 ppm1      9.135 ppm2      4.725 CV     1
 ASSI {  217}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.200     1.300     1.300 peak   217 spectrum    1 weight  0.10000E+01 volume  0.79951E-03 ppm1      7.068 ppm2      2.448 CV     1
 OR {  217}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  218}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.800     1.800     1.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.53143E-03 ppm1      7.068 ppm2      2.205 CV     1
 ASSI {  219}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      4.500     2.600     1.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.50644E-03 ppm1      7.068 ppm2      1.944 CV     1
 ASSI {  220}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     2.900     3.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.83992E-03 ppm1      7.068 ppm2      1.592 CV     1
 ASSI {  225}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      3.900     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.35171E-03 ppm1      7.734 ppm2      1.780 CV     1
 ASSI {  226}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.62946E-03 ppm1      7.068 ppm2      7.700 CV     1
 ASSI {  230}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   230 spectrum    1 weight  0.10000E+01 volume  0.88396E-03 ppm1      7.068 ppm2      9.133 CV     1
 ASSI {  232}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      2.900     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.50741E-03 ppm1      7.696 ppm2      1.534 CV     1
 ASSI {  233}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.35653E-03 ppm1      7.697 ppm2      1.237 CV     1
 ASSI {  234}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      2.500     0.800     0.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.65634E-02 ppm1      7.698 ppm2      0.862 CV     1
 ASSI {  238}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      2.000     0.500     0.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.80136E-02 ppm1      7.697 ppm2      2.463 CV     1
 OR {  238}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG3 ))
 ASSI {  239}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.50452E-03 ppm1      7.697 ppm2      3.860 CV     1
 ASSI {  241}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.700     2.800     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.39497E-04 ppm1      7.734 ppm2      1.740 CV     1
 ASSI {  242}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.200     1.200 peak   242 spectrum    1 weight  0.10000E+01 volume  0.51316E-03 ppm1      7.697 ppm2      7.904 CV     1
 ASSI {  243}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.100     2.100     1.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.18644E-03 ppm1      7.905 ppm2      3.811 CV     1
 ASSI {  244}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.400     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.45839E-03 ppm1      7.905 ppm2      3.909 CV     1
 ASSI {  247}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.30848E-03 ppm1      7.905 ppm2      4.385 CV     1
 ASSI {  249}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     2.000     2.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.22198E-03 ppm1      7.905 ppm2      7.072 CV     1
 ASSI {  252}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.56699E-03 ppm1      7.734 ppm2      0.824 CV     1
 ASSI {  253}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      4.100     2.100     1.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.40169E-03 ppm1      7.905 ppm2      1.973 CV     1
 ASSI {  256}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.600     1.600     1.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.20852E-03 ppm1      7.905 ppm2      1.239 CV     1
 ASSI {  259}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.600     3.900     0.400 peak   259 spectrum    1 weight  0.10000E+01 volume  0.47472E-04 ppm1      7.905 ppm2      0.442 CV     1
 ASSI {  262}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   262 spectrum    1 weight  0.10000E+01 volume  0.22295E-02 ppm1      7.523 ppm2      1.863 CV     1
 OR {  262}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {  263}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.900     1.900     1.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.30848E-03 ppm1      7.524 ppm2      3.769 CV     1
 ASSI {  264}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.200     1.300     1.300 peak   264 spectrum    1 weight  0.10000E+01 volume  0.51509E-03 ppm1      7.523 ppm2      3.917 CV     1
 ASSI {  265}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.67557E-03 ppm1      7.523 ppm2      4.151 CV     1
 ASSI {  266}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.34979E-03 ppm1      7.523 ppm2      4.336 CV     1
 ASSI {  268}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.67458E-03 ppm1      7.523 ppm2      7.910 CV     1
 ASSI {  269}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.52854E-03 ppm1      7.523 ppm2      8.473 CV     1
 ASSI {  270}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      3.300     1.300     1.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.68800E-03 ppm1      8.476 ppm2      1.533 CV     1
 ASSI {  271}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.12013E-02 ppm1      8.476 ppm2      1.847 CV     1
 OR {  271}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {  273}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD2 ))
      4.100     2.100     1.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.40841E-03 ppm1      8.476 ppm2      3.204 CV     1
 OR {  273}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI {  274}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.600     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.33249E-03 ppm1      8.476 ppm2      3.860 CV     1
 ASSI {  275}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.53623E-03 ppm1      8.476 ppm2      4.145 CV     1
 ASSI {  277}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.48722E-03 ppm1      8.476 ppm2      7.971 CV     1
 ASSI {  280}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.73225E-03 ppm1      7.972 ppm2      1.628 CV     1
 OR {  280}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
 ASSI {  281}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.400     2.500     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.27773E-03 ppm1      7.972 ppm2      0.635 CV     1
 ASSI {  282}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.30751E-03 ppm1      7.972 ppm2      0.802 CV     1
 ASSI {  283}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.41514E-03 ppm1      7.972 ppm2      1.844 CV     1
 OR {  283}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {  286}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.39305E-03 ppm1      7.972 ppm2      4.474 CV     1
 ASSI {  287}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      1.800     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.14509E-01 ppm1      7.972 ppm2      7.768 CV     1
 ASSI {  288}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.37863E-03 ppm1      7.972 ppm2      7.506 CV     1
 ASSI {  291}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      2.200     2.200     3.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.13455E-01 ppm1      7.972 ppm2      3.402 CV     1
 ASSI {  292}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.600     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.41131E-03 ppm1      7.972 ppm2      1.583 CV     1
 ASSI {  294}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.200     0.600     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.49586E-02 ppm1      9.028 ppm2      5.138 CV     1
 ASSI {  295}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.21911E-03 ppm1      7.766 ppm2      4.473 CV     1
 ASSI {  296}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      1.700     1.700     4.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.31522E-01 ppm1      7.766 ppm2      4.148 CV     1
 ASSI {  297}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.11148E-02 ppm1      7.766 ppm2      3.950 CV     1
 ASSI {  298}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.500     2.500     1.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.10379E-03 ppm1      7.766 ppm2      2.271 CV     1
 OR {  298}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {  300}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.200     2.200     1.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.20469E-03 ppm1      7.766 ppm2      2.054 CV     1
 ASSI {  301}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      2.900     2.900     3.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.51797E-03 ppm1      7.766 ppm2      1.531 CV     1
 ASSI {  307}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.500     1.500 peak   307 spectrum    1 weight  0.10000E+01 volume  0.37767E-03 ppm1      8.041 ppm2      4.891 CV     1
 ASSI {  309}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      1.800     1.800     4.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.31904E-01 ppm1      8.041 ppm2      7.776 CV     1
 ASSI {  311}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      4.300     2.300     1.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.35653E-03 ppm1      8.041 ppm2      1.225 CV     1
 ASSI {  316}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.100     2.100     1.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.40938E-03 ppm1      9.149 ppm2      2.157 CV     1
 OR {  316}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
 ASSI {  317}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      9.149 ppm2      2.060 CV     1
 ASSI {  318}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      6.000     6.000     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.47955E-06 ppm1      9.149 ppm2      1.909 CV     1
 ASSI {  319}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.72649E-03 ppm1      9.149 ppm2      4.220 CV     1
 ASSI {  321}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.100     1.200     1.200 peak   321 spectrum    1 weight  0.10000E+01 volume  0.58044E-03 ppm1      8.844 ppm2      0.921 CV     1
 ASSI {  324}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.56313E-03 ppm1      7.050 ppm2      1.442 CV     1
 ASSI {  325}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.16913E-02 ppm1      7.052 ppm2      1.723 CV     1
 ASSI {  326}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      5.800     4.300     0.200 peak   326 spectrum    1 weight  0.10000E+01 volume  0.67458E-04 ppm1      7.050 ppm2      1.992 CV     1
 ASSI {  327}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      4.000     2.000     2.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.58908E-03 ppm1      7.050 ppm2      2.156 CV     1
 ASSI {  329}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.200     1.300     1.300 peak   329 spectrum    1 weight  0.10000E+01 volume  0.11723E-02 ppm1      7.050 ppm2      2.421 CV     1
 ASSI {  330}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     5.000     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.36229E-04 ppm1      7.050 ppm2      2.351 CV     1
 ASSI {  331}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HD2 ))
      2.800     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.87748E-03 ppm1      7.050 ppm2      3.404 CV     1
 ASSI {  332}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HD3 ))
      3.800     1.800     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.52085E-03 ppm1      7.050 ppm2      3.766 CV     1
 ASSI {  334}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.92258E-03 ppm1      7.050 ppm2      4.383 CV     1
 ASSI {  336}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83707E-03 ppm1      7.050 ppm2      7.227 CV     1
 ASSI {  337}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     2.700     3.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.30367E-02 ppm1      7.050 ppm2      9.029 CV     1
 ASSI {  340}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.26139E-03 ppm1      7.232 ppm2      3.766 CV     1
 ASSI {  341}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.19700E-03 ppm1      7.232 ppm2      4.166 CV     1
 ASSI {  342}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.500     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.27293E-03 ppm1      7.232 ppm2      3.593 CV     1
 ASSI {  344}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.200     1.300     1.300 peak   344 spectrum    1 weight  0.10000E+01 volume  0.49875E-03 ppm1      7.232 ppm2      2.177 CV     1
 ASSI {  345}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.100     1.200     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.36516E-03 ppm1      7.232 ppm2      1.785 CV     1
 ASSI {  347}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.700     1.700     1.700 peak   347 spectrum    1 weight  0.10000E+01 volume  0.44109E-03 ppm1      7.232 ppm2      1.228 CV     1
 ASSI {  349}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      5.200     3.400     0.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.13839E-03 ppm1      7.231 ppm2      0.735 CV     1
 ASSI {  350}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.300     2.300     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.21622E-03 ppm1      7.232 ppm2      0.450 CV     1
 ASSI {  355}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.43916E-03 ppm1      9.040 ppm2      2.179 CV     1
 ASSI {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak   356 spectrum    1 weight  0.10000E+01 volume  0.66393E-03 ppm1      9.040 ppm2      2.597 CV     1
 OR {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  357}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.100     2.100     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.24600E-03 ppm1      9.040 ppm2      0.724 CV     1
 ASSI {  359}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     2.600     3.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.56409E-02 ppm1      9.040 ppm2      3.774 CV     1
 ASSI {  360}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.44878E-03 ppm1      9.040 ppm2      4.016 CV     1
 ASSI {  362}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     2.600     3.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.21718E-02 ppm1      9.040 ppm2      4.386 CV     1
 ASSI {  363}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   363 spectrum    1 weight  0.10000E+01 volume  0.67167E-03 ppm1      9.040 ppm2      7.247 CV     1
 ASSI {  366}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.900     4.400     0.100 peak   366 spectrum    1 weight  0.10000E+01 volume  0.41514E-04 ppm1      9.040 ppm2      8.414 CV     1
 ASSI {  369}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.600     1.600     1.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.46224E-03 ppm1      7.734 ppm2      2.187 CV     1
 ASSI {  370}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.600     2.700     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.16144E-03 ppm1      7.734 ppm2      2.308 CV     1
 ASSI {  371}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG3 ))
      3.900     1.900     1.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.36326E-03 ppm1      7.734 ppm2      2.684 CV     1
 ASSI {  373}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.100     2.100     1.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.20661E-03 ppm1      7.734 ppm2      4.162 CV     1
 ASSI {  376}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.36805E-03 ppm1      7.734 ppm2      8.416 CV     1
 ASSI {  377}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.20758E-03 ppm1      7.734 ppm2      9.064 CV     1
 ASSI {  378}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.70540E-03 ppm1      7.329 ppm2      2.595 CV     1
 OR {  378}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  379}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.22582E-03 ppm1      7.329 ppm2      3.992 CV     1
 ASSI {  380}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   380 spectrum    1 weight  0.10000E+01 volume  0.57850E-03 ppm1      7.329 ppm2      4.142 CV     1
 ASSI {  381}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     2.700     3.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.75050E-03 ppm1      7.329 ppm2      4.374 CV     1
 ASSI {  384}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.900     1.100     1.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10763E-02 ppm1      7.329 ppm2      1.442 CV     1
 ASSI {  385}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      2.300     2.300     3.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.22006E-02 ppm1      7.329 ppm2      0.843 CV     1
 ASSI {  387}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.56699E-03 ppm1      7.329 ppm2      7.742 CV     1
 ASSI {  389}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.37671E-03 ppm1      7.329 ppm2      9.040 CV     1
 ASSI {  390}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.400     2.400     1.600 peak   390 spectrum    1 weight  0.10000E+01 volume  0.34499E-03 ppm1      7.329 ppm2      8.406 CV     1
 ASSI {  391}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.10091E-02 ppm1      7.783 ppm2     -0.832 CV     1
 ASSI {  392}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      4.000     2.000     2.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.54871E-03 ppm1      7.783 ppm2      0.035 CV     1
 ASSI {  393}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      4.000     2.000     2.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.35557E-03 ppm1      7.783 ppm2      0.957 CV     1
 ASSI {  394}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.000     1.100     1.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.74475E-03 ppm1      7.783 ppm2      2.091 CV     1
 OR {  394}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  395}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      4.100     2.100     1.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.75156E-03 ppm1      7.783 ppm2      2.291 CV     1
 ASSI {  396}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      4.300     2.300     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.51797E-03 ppm1      7.783 ppm2      2.553 CV     1
 ASSI {  397}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.87841E-03 ppm1      7.783 ppm2      4.040 CV     1
 ASSI {  398}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     6.000     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.23353E-05 ppm1      7.783 ppm2      4.138 CV     1
 ASSI {  400}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.600     2.700     1.400 peak   400 spectrum    1 weight  0.10000E+01 volume  0.33347E-03 ppm1      7.783 ppm2      8.402 CV     1
 ASSI {  403}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
      3.800     1.800     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.10187E-02 ppm1      7.815 ppm2      1.772 CV     1
 ASSI {  404}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.500     1.600     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.99950E-03 ppm1      7.815 ppm2      1.645 CV     1
 ASSI {  405}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.100     0.500     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.68509E-02 ppm1      7.815 ppm2      2.076 CV     1
 OR {  405}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  406}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     6.000     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.40841E-05 ppm1      7.815 ppm2      2.322 CV     1
 ASSI {  408}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.22871E-02 ppm1      7.815 ppm2      4.172 CV     1
 ASSI {  410}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak   410 spectrum    1 weight  0.10000E+01 volume  0.44492E-03 ppm1      7.815 ppm2      8.570 CV     1
 ASSI {  412}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.700     1.700     1.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.15280E-02 ppm1      8.575 ppm2      2.147 CV     1
 ASSI {  413}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      4.400     2.400     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.41610E-03 ppm1      8.575 ppm2      2.855 CV     1
 ASSI {  414}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.200     1.300     1.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.46896E-03 ppm1      8.574 ppm2      1.970 CV     1
 OR {  414}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  415}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
      4.100     2.100     1.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.53527E-03 ppm1      8.575 ppm2      1.773 CV     1
 ASSI {  422}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.58428E-03 ppm1      8.575 ppm2      9.142 CV     1
 ASSI {  423}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.900     1.900     1.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.47666E-03 ppm1      9.128 ppm2      0.851 CV     1
 ASSI {  425}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.34692E-03 ppm1      9.128 ppm2      2.318 CV     1
 ASSI {  426}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.800     1.800     1.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.19891E-03 ppm1      9.128 ppm2      2.602 CV     1
 ASSI {  427}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      5.000     3.100     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.20084E-03 ppm1      9.128 ppm2      2.448 CV     1
 OR {  427}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  428}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.42571E-03 ppm1      9.128 ppm2      4.018 CV     1
 ASSI {  429}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.300     1.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.46799E-03 ppm1      9.128 ppm2      4.241 CV     1
 ASSI {  430}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     2.600     3.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      9.128 ppm2      7.818 CV     1
 ASSI {  431}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   431 spectrum    1 weight  0.10000E+01 volume  0.40073E-03 ppm1      9.128 ppm2      8.028 CV     1
 ASSI {  436}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.61886E-03 ppm1      8.039 ppm2      4.261 CV     1
 ASSI {  437}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.21622E-03 ppm1      8.039 ppm2      4.017 CV     1
 ASSI {  438}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.44781E-03 ppm1      8.039 ppm2      7.660 CV     1
 ASSI {  439}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      5.200     3.400     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.46128E-04 ppm1      8.039 ppm2      7.811 CV     1
 ASSI {  441}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.200     1.200 peak   441 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      8.039 ppm2      8.596 CV     1
 ASSI {  443}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.700     1.700     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.24696E-03 ppm1      8.039 ppm2      2.605 CV     1
 ASSI {  444}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      4.200     2.200     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.31904E-03 ppm1      8.039 ppm2      2.823 CV     1
 ASSI {  445}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.500     2.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.23831E-03 ppm1      8.039 ppm2      2.324 CV     1
 ASSI {  446}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      4.300     2.300     1.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.39112E-03 ppm1      8.039 ppm2      2.441 CV     1
 OR {  446}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  447}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.77735E-03 ppm1      8.039 ppm2      2.015 CV     1
 ASSI {  448}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      3.000     1.100     1.100 peak   448 spectrum    1 weight  0.10000E+01 volume  0.92721E-03 ppm1      8.039 ppm2      1.613 CV     1
 ASSI {  449}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      3.500     1.600     1.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.41994E-03 ppm1      7.650 ppm2      1.613 CV     1
 ASSI {  450}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.200     1.300     1.300 peak   450 spectrum    1 weight  0.10000E+01 volume  0.52566E-03 ppm1      7.650 ppm2      2.056 CV     1
 ASSI {  451}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      4.000     2.000     2.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.34595E-03 ppm1      7.650 ppm2      2.382 CV     1
 ASSI {  453}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.600     1.600     1.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.42762E-03 ppm1      7.650 ppm2      2.821 CV     1
 ASSI {  456}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.42762E-03 ppm1      7.650 ppm2      4.411 CV     1
 ASSI {  459}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.94745E-03 ppm1      7.650 ppm2      9.150 CV     1
 ASSI {  461}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      2.600     0.900     0.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.15953E-02 ppm1      8.036 ppm2      4.060 CV     1
 ASSI {  462}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.800     1.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.31328E-03 ppm1      8.036 ppm2      4.422 CV     1
 ASSI {  464}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      2.900     2.900     3.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.48529E-03 ppm1      8.036 ppm2      1.615 CV     1
 ASSI {  466}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.41225E-03 ppm1      8.036 ppm2      7.656 CV     1
 ASSI {  467}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      4.600     2.600     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.24025E-03 ppm1      7.667 ppm2      1.449 CV     1
 ASSI {  468}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.48722E-03 ppm1      8.036 ppm2      8.306 CV     1
 ASSI {  471}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.500     1.500     1.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.97066E-03 ppm1      8.036 ppm2      2.366 CV     1
 ASSI {  472}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      6.000     5.200     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.27195E-04 ppm1      8.036 ppm2      2.836 CV     1
 ASSI {  478}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.000     1.100     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      7.096 ppm2      2.316 CV     1
 ASSI {  479}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      2.700     2.700     3.300 peak   479 spectrum    1 weight  0.10000E+01 volume  0.78707E-02 ppm1      7.096 ppm2      1.437 CV     1
 ASSI {  481}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.28060E-03 ppm1      7.096 ppm2      4.513 CV     1
 ASSI {  482}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.500     1.500     1.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.38824E-03 ppm1      7.096 ppm2      5.287 CV     1
 ASSI {  483}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.69290E-03 ppm1      7.667 ppm2      1.619 CV     1
 ASSI {  484}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.200     2.200     3.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1      7.096 ppm2      8.042 CV     1
 ASSI {  485}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak   485 spectrum    1 weight  0.10000E+01 volume  0.87364E-03 ppm1      7.096 ppm2      8.299 CV     1
 ASSI {  487}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      3.100     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.72934E-03 ppm1      9.365 ppm2      1.898 CV     1
 ASSI {  488}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.900     1.100     1.100 peak   488 spectrum    1 weight  0.10000E+01 volume  0.47761E-03 ppm1      9.365 ppm2      2.326 CV     1
 ASSI {  491}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.300     1.300 peak   491 spectrum    1 weight  0.10000E+01 volume  0.43148E-03 ppm1      9.365 ppm2      4.753 CV     1
 ASSI {  492}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.65537E-03 ppm1      9.365 ppm2      5.301 CV     1
 ASSI {  496}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      4.100     2.100     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.20661E-03 ppm1      7.667 ppm2      1.716 CV     1
 ASSI {  499}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      3.700     1.700     1.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.92258E-03 ppm1      8.263 ppm2      0.795 CV     1
 ASSI {  500}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      5.200     3.400     0.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.68999E-04 ppm1      8.263 ppm2      0.745 CV     1
 ASSI {  501}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.400     1.400     1.400 peak   501 spectrum    1 weight  0.10000E+01 volume  0.39399E-03 ppm1      8.263 ppm2      0.855 CV     1
 ASSI {  502}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      3.100     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.71208E-03 ppm1      8.263 ppm2      0.348 CV     1
 OR {  502}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG3 ))
 ASSI {  503}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     1.700     1.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.21813E-03 ppm1      8.263 ppm2      4.144 CV     1
 ASSI {  504}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.94653E-03 ppm1      8.263 ppm2      4.755 CV     1
 ASSI {  505}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.29406E-03 ppm1      7.667 ppm2      4.197 CV     1
 ASSI {  507}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     2.800     3.200 peak   507 spectrum    1 weight  0.10000E+01 volume  0.25082E-02 ppm1      8.263 ppm2      9.360 CV     1
 ASSI {  509}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG13))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.28158E-03 ppm1      9.048 ppm2      1.280 CV     1
 ASSI {  510}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.400     1.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.33441E-03 ppm1      9.049 ppm2      1.628 CV     1
 ASSI {  512}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG12))
      5.600     3.900     0.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.34979E-04 ppm1      9.049 ppm2      0.954 CV     1
 ASSI {  513}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      3.200     1.300     1.300 peak   513 spectrum    1 weight  0.10000E+01 volume  0.15855E-02 ppm1      9.049 ppm2      0.353 CV     1
 OR {  513}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG3 ))
 ASSI {  514}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak   514 spectrum    1 weight  0.10000E+01 volume  0.10282E-02 ppm1      9.049 ppm2      2.901 CV     1
 OR {  514}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
 ASSI {  517}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.000     2.000     2.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.32673E-03 ppm1      9.049 ppm2      5.341 CV     1
 ASSI {  520}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.300     1.300     1.300 peak   520 spectrum    1 weight  0.10000E+01 volume  0.54007E-03 ppm1      8.555 ppm2      3.744 CV     1
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  523}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      4.300     2.300     1.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.51894E-03 ppm1      7.667 ppm2      5.302 CV     1
 ASSI {  524}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.34979E-03 ppm1      8.555 ppm2      9.020 CV     1
 ASSI {  525}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.600     1.600     1.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.95228E-03 ppm1      8.555 ppm2      1.618 CV     1
 ASSI {  526}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      3.700     1.700     1.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.44205E-03 ppm1      8.555 ppm2      0.800 CV     1
 ASSI {  530}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      3.600     1.600     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.22487E-03 ppm1      8.721 ppm2      2.092 CV     1
 ASSI {  531}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG3 ))
      4.500     2.500     1.500 peak   531 spectrum    1 weight  0.10000E+01 volume  0.31810E-03 ppm1      8.721 ppm2      2.189 CV     1
 OR {  531}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  532}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.200     2.300     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.34979E-03 ppm1      8.721 ppm2      3.735 CV     1
 OR {  532}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  533}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.500     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.36998E-03 ppm1      8.721 ppm2      4.539 CV     1
 ASSI {  534}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.63810E-03 ppm1      8.721 ppm2      4.720 CV     1
 ASSI {  538}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     2.400     3.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.16241E-02 ppm1      7.667 ppm2      9.379 CV     1
 ASSI {  543}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.700     1.700     1.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.32193E-03 ppm1      8.453 ppm2      4.201 CV     1
 ASSI {  547}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.600     1.600 peak   547 spectrum    1 weight  0.10000E+01 volume  0.90327E-03 ppm1      8.453 ppm2      8.727 CV     1
 ASSI {  548}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.600     1.600     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.46512E-03 ppm1      8.469 ppm2      3.870 CV     1
 ASSI {  550}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      4.100     2.100     1.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.40362E-03 ppm1      8.469 ppm2      4.206 CV     1
 ASSI {  551}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      8.469 ppm2      4.520 CV     1
 ASSI {  552}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      4.600     2.600     1.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.20084E-03 ppm1      8.302 ppm2      0.847 CV     1
 ASSI {  554}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.100     2.100     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.27581E-03 ppm1      8.469 ppm2      1.144 CV     1
 ASSI {  555}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      1.900     0.500     0.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.12686E-01 ppm1      8.548 ppm2      4.469 CV     1
 ASSI {  560}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      4.000     2.000     2.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.35653E-03 ppm1      8.548 ppm2      2.257 CV     1
 OR {  560}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  561}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      1.700     1.700     4.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.24217E-01 ppm1      8.548 ppm2      2.037 CV     1
 ASSI {  562}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.000     2.000     2.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.25851E-03 ppm1      8.548 ppm2      1.920 CV     1
 ASSI {  563}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      2.900     2.900     3.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.58331E-03 ppm1      8.548 ppm2      1.155 CV     1
 ASSI {  567}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      3.000     1.100     1.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.12974E-02 ppm1      8.462 ppm2      3.928 CV     1
 OR {  567}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
 ASSI {  573}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.38535E-03 ppm1      8.462 ppm2      2.244 CV     1
 OR {  573}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  578}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      4.600     2.600     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.11821E-03 ppm1      8.462 ppm2      0.782 CV     1
 ASSI {  579}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.87060E-03 ppm1      8.210 ppm2      3.932 CV     1
 OR {  579}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
 ASSI {  582}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
      4.500     2.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.81214E-04 ppm1      8.210 ppm2      2.246 CV     1
 ASSI {  584}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      1.600     1.600     4.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.26715E-01 ppm1      8.302 ppm2      1.728 CV     1
 ASSI {  585}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.500     1.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.54871E-03 ppm1      8.210 ppm2      8.454 CV     1
 ASSI {  586}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      1.600     0.300     0.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.33249E-01 ppm1      8.466 ppm2      2.892 CV     1
 OR {  586}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
 ASSI {  587}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.200     1.300     1.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.10763E-02 ppm1      8.465 ppm2      1.630 CV     1
 OR {  587}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
 ASSI {  588}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.400     1.500     1.500 peak   588 spectrum    1 weight  0.10000E+01 volume  0.99950E-03 ppm1      8.465 ppm2      0.845 CV     1
 ASSI {  595}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      4.700     2.700     1.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.72649E-04 ppm1      8.302 ppm2      1.912 CV     1
 ASSI {  597}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      3.400     1.500     1.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.54871E-03 ppm1      8.322 ppm2      3.858 CV     1
 ASSI {  598}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.500     1.600     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.40362E-03 ppm1      8.323 ppm2      1.613 CV     1
 ASSI {  599}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.000     3.000     3.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.45070E-03 ppm1      8.323 ppm2      0.808 CV     1
 ASSI {  603}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      1.800     1.800     4.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.95320E-02 ppm1      8.302 ppm2      2.032 CV     1
 ASSI {  604}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.77543E-05 ppm1      8.323 ppm2      8.486 CV     1
 ASSI {  607}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      3.000     1.100     1.100 peak   607 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      8.477 ppm2      3.970 CV     1
 OR {  607}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
 ASSI {  608}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.34116E-04 ppm1      8.477 ppm2      3.880 CV     1
 ASSI {  611}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.20277E-02 ppm1      8.477 ppm2      8.229 CV     1
 ASSI {  613}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      4.000     2.000     2.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.23159E-03 ppm1      8.229 ppm2      3.963 CV     1
 OR {  613}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
 ASSI {  614}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.500     2.500     3.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.54391E-02 ppm1      8.230 ppm2      3.866 CV     1
 ASSI {  619}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      1.800     0.400     0.400 peak   619 spectrum    1 weight  0.10000E+01 volume  0.10860E-01 ppm1      8.302 ppm2      4.242 CV     1
 ASSI {  621}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      1.500     1.500     4.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.61502E-01 ppm1      8.230 ppm2      4.438 CV     1
 ASSI {  623}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.40650E-03 ppm1      8.302 ppm2      4.520 CV     1
 ASSI {  629}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.100     1.200     1.200 peak   629 spectrum    1 weight  0.10000E+01 volume  0.11340E-02 ppm1      8.413 ppm2      2.927 CV     1
 OR {  629}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  642}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      1.700     1.700     4.300 peak   642 spectrum    1 weight  0.10000E+01 volume  0.48722E-01 ppm1      8.446 ppm2      4.508 CV     1
 ASSI {  647}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HE3 ))
      5.100     3.300     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.12108E-03 ppm1      8.446 ppm2      2.952 CV     1
 OR {  647}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HE2 ))
 ASSI {  650}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.800     1.800     1.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.27293E-03 ppm1      8.445 ppm2      1.816 CV     1
 ASSI {  652}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      1.900     0.500     0.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.16528E-01 ppm1      8.445 ppm2      2.913 CV     1
 OR {  652}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  654}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.18450E-03 ppm1      8.445 ppm2      4.288 CV     1
 ASSI {  660}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.500     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.41899E-03 ppm1      8.249 ppm2      4.285 CV     1
 ASSI {  663}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      1.900     1.900     4.100 peak   663 spectrum    1 weight  0.10000E+01 volume  0.29696E-01 ppm1      8.249 ppm2      3.840 CV     1
 ASSI {  664}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.58812E-03 ppm1      8.249 ppm2      1.821 CV     1
 ASSI {  666}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.900     3.000     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.67081E-04 ppm1      8.249 ppm2      8.462 CV     1
 ASSI {  668}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.600     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.36516E-03 ppm1      8.259 ppm2      4.801 CV     1
 ASSI {  669}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.98006E-03 ppm1      8.258 ppm2      4.418 CV     1
 ASSI {  673}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.45839E-03 ppm1      8.682 ppm2      4.225 CV     1
 ASSI {  674}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      2.900     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.11916E-02 ppm1      8.682 ppm2      3.724 CV     1
 OR {  674}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD3 ))
 ASSI {  676}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     2.700     3.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.47472E-02 ppm1      8.682 ppm2      4.794 CV     1
 ASSI {  677}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.400     1.400     1.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.39497E-03 ppm1      8.682 ppm2      8.333 CV     1
 ASSI {  680}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      3.200     1.300     1.300 peak   680 spectrum    1 weight  0.10000E+01 volume  0.66012E-03 ppm1      8.682 ppm2      1.977 CV     1
 OR {  680}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI {  681}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.600     2.700     1.400 peak   681 spectrum    1 weight  0.10000E+01 volume  0.84481E-04 ppm1      8.682 ppm2      1.930 CV     1
 ASSI {  682}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      6.000     6.000     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.31616E-05 ppm1      8.680 ppm2      2.037 CV     1
 ASSI {  683}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.400     1.400     1.400 peak   683 spectrum    1 weight  0.10000E+01 volume  0.82080E-03 ppm1      8.320 ppm2      4.220 CV     1
 ASSI {  685}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
      3.400     1.400     1.400 peak   685 spectrum    1 weight  0.10000E+01 volume  0.91207E-03 ppm1      8.320 ppm2      3.967 CV     1
 ASSI {  686}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.300     3.300     2.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.98991E-03 ppm1      8.320 ppm2      1.978 CV     1
 ASSI {  688}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG3 ))
      4.600     2.600     1.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.18354E-03 ppm1      8.320 ppm2      2.250 CV     1
 OR {  688}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI {  690}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.15665E-02 ppm1      8.320 ppm2      8.086 CV     1
 ASSI {  693}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG3 ))
      3.900     1.900     1.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.33923E-03 ppm1      8.101 ppm2      1.378 CV     1
 OR {  693}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {  694}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.500     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.53429E-03 ppm1      8.101 ppm2      1.710 CV     1
 ASSI {  697}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
      3.600     1.600     1.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.42762E-03 ppm1      8.101 ppm2      3.856 CV     1
 ASSI {  698}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
      3.300     1.300     1.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.68404E-03 ppm1      8.101 ppm2      3.964 CV     1
 ASSI {  699}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.600     1.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.39977E-03 ppm1      8.101 ppm2      4.296 CV     1
 ASSI {  704}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      4.400     2.500     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.30559E-03 ppm1      8.301 ppm2      1.811 CV     1
 ASSI {  705}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.900     1.900     1.900 peak   705 spectrum    1 weight  0.10000E+01 volume  0.63135E-03 ppm1      8.301 ppm2      1.687 CV     1
 ASSI {  711}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak   711 spectrum    1 weight  0.10000E+01 volume  0.45935E-03 ppm1      8.277 ppm2      4.471 CV     1
 ASSI {  712}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      8.277 ppm2      4.267 CV     1
 ASSI {  713}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      3.300     1.400     1.400 peak   713 spectrum    1 weight  0.10000E+01 volume  0.70156E-03 ppm1      8.277 ppm2      2.887 CV     1
 OR {  713}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  714}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      3.500     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.44878E-03 ppm1      8.277 ppm2      1.350 CV     1
 ASSI {  718}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.600     0.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.30464E-02 ppm1      8.422 ppm2      4.460 CV     1
 ASSI {  721}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     6.000     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.82365E-05 ppm1      8.424 ppm2      1.669 CV     1
 ASSI {  722}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      1.600     1.600     4.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.49491E-01 ppm1      8.422 ppm2      1.733 CV     1
 ASSI {  725}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG3 ))
      6.000     5.900     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.68040E-05 ppm1      8.423 ppm2      1.539 CV     1
 ASSI {  728}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
      1.600     0.300     0.600 peak   728 spectrum    1 weight  0.10000E+01 volume  0.35076E-01 ppm1      8.580 ppm2      1.971 CV     1
 OR {  728}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {  729}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      1.500     1.500     4.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.41322E-01 ppm1      8.580 ppm2      4.269 CV     1
 ASSI {  730}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      1.900     0.500     0.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.10187E-01 ppm1      8.580 ppm2      4.469 CV     1
 ASSI {  734}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      1.300     0.200     0.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.78615E-01 ppm1      8.396 ppm2      4.278 CV     1
 ASSI {  735}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   735 spectrum    1 weight  0.10000E+01 volume  0.61691E-03 ppm1      8.396 ppm2      4.748 CV     1
 ASSI {  736}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      1.700     1.700     4.300 peak   736 spectrum    1 weight  0.10000E+01 volume  0.27869E-01 ppm1      8.396 ppm2      1.523 CV     1
 ASSI {  737}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.600     0.800     0.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.29696E-02 ppm1      8.396 ppm2      1.666 CV     1
 OR {  737}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  738}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      1.400     0.200     0.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.32673E-01 ppm1      8.396 ppm2      1.806 CV     1
 ASSI {  739}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      4.600     2.600     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.21334E-03 ppm1      8.396 ppm2      1.880 CV     1
 ASSI {  740}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
      4.300     2.300     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.22102E-03 ppm1      8.396 ppm2      1.980 CV     1
 ASSI {  743}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.600     1.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.78509E-03 ppm1      8.396 ppm2      9.014 CV     1
 ASSI {  747}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.000     1.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.71115E-03 ppm1      8.994 ppm2      4.748 CV     1
 ASSI {  750}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      4.200     2.200     1.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.18644E-03 ppm1      8.994 ppm2      1.856 CV     1
 ASSI {  751}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.100     1.200     1.200 peak   751 spectrum    1 weight  0.10000E+01 volume  0.72835E-03 ppm1      9.027 ppm2      2.903 CV     1
 OR {  751}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  753}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.100     0.500     0.500 peak   753 spectrum    1 weight  0.10000E+01 volume  0.98006E-02 ppm1      9.026 ppm2      1.595 CV     1
 OR {  753}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG3 ))
 ASSI {  754}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.100     0.600     0.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.49779E-02 ppm1      9.026 ppm2      2.252 CV     1
 ASSI {  756}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.43436E-03 ppm1      9.026 ppm2      5.354 CV     1
 ASSI {  760}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.500     1.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.34787E-03 ppm1      8.753 ppm2      9.361 CV     1
 ASSI {  762}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.300     2.300     3.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.13166E-01 ppm1      8.753 ppm2      9.037 CV     1
 ASSI {  763}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.74078E-04 ppm1      8.753 ppm2      7.102 CV     1
 ASSI {  766}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     1.700     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.33249E-03 ppm1      8.753 ppm2      4.147 CV     1
 ASSI {  767}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.400     2.400     1.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.37382E-03 ppm1      8.753 ppm2      2.893 CV     1
 OR {  767}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  768}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      4.100     2.100     1.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.26042E-03 ppm1      8.749 ppm2      2.310 CV     1
 ASSI {  769}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      3.600     1.600     1.600 peak   769 spectrum    1 weight  0.10000E+01 volume  0.33826E-03 ppm1      8.753 ppm2      1.339 CV     1
 ASSI {  770}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.400     2.400     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.25946E-03 ppm1      8.753 ppm2      0.799 CV     1
 ASSI {  772}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      3.000     3.000     3.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.40841E-03 ppm1      8.753 ppm2      0.639 CV     1
 ASSI {  773}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      3.600     1.600     1.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      8.844 ppm2      1.330 CV     1
 ASSI {  775}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
      2.700     2.700     3.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.93032E-03 ppm1      8.844 ppm2      1.501 CV     1
 ASSI {  776}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.400     2.400     1.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.21718E-03 ppm1      8.844 ppm2      0.611 CV     1
 ASSI {  778}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak   778 spectrum    1 weight  0.10000E+01 volume  0.50741E-03 ppm1      8.844 ppm2      4.906 CV     1
 ASSI {  779}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.800     2.900     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.16048E-03 ppm1      8.844 ppm2      7.685 CV     1
 ASSI {    4}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      4.500     2.500     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.66724E-03 ppm1      4.308 ppm2      2.262 CV     1
 ASSI {    8}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.28281E-02 ppm1      4.308 ppm2      8.807 CV     1
 ASSI {   10}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      3.300     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.15814E-02 ppm1      1.344 ppm2      4.331 CV     1
 ASSI {   14}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 32   and name HD1%)
      2.200     2.200     3.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19916E-01 ppm1      1.344 ppm2      0.805 CV     1
 ASSI {   15}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      3.800     1.800     1.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.16571E-02 ppm1      1.344 ppm2      8.805 CV     1
 ASSI {   18}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10914E-01 ppm1      3.916 ppm2      4.696 CV     1
 ASSI {   19}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      4.600     2.700     1.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.41824E-03 ppm1      1.344 ppm2      7.683 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.000     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.10377E-01 ppm1      4.291 ppm2      3.908 CV     1
 ASSI {   24}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.699 ppm2      4.285 CV     1
 ASSI {   26}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      3.300     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.99375E-03 ppm1      1.735 ppm2      8.634 CV     1
 ASSI {   27}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HA  ))
      4.100     2.100     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.28878E-03 ppm1      1.735 ppm2      3.965 CV     1
 ASSI {   30}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     2.900     3.100 peak    30 spectrum    1 weight  0.10000E+01 volume  0.84640E-03 ppm1      1.735 ppm2      1.561 CV     1
 ASSI {   32}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 4    and name HD2%)
      3.000     1.100     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.18145E-02 ppm1      1.735 ppm2      0.890 CV     1
 ASSI {   35}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.96590E-03 ppm1      1.549 ppm2      3.965 CV     1
 ASSI {   43}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      6.000     6.000     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13642E-05 ppm1      0.833 ppm2      3.966 CV     1
 ASSI {   47}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      1.900     0.500     0.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.29875E-01 ppm1      0.833 ppm2      4.033 CV     1
 ASSI {   51}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.833 ppm2      1.732 CV     1
 ASSI {   52}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.833 ppm2      1.782 CV     1
 ASSI {   53}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 40   and name HG3 ))
      4.700     2.800     1.300 peak    53 spectrum    1 weight  0.10000E+01 volume  0.49991E-03 ppm1      0.891 ppm2      2.854 CV     1
 ASSI {   56}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.24298E-02 ppm1      1.779 ppm2      0.890 CV     1
 ASSI {   61}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB3 ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.566 ppm2      1.978 CV     1
 OR {   61}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {   61}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {   61}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HB3 ))
 ASSI {   67}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.28679E-02 ppm1      1.978 ppm2      8.174 CV     1
 OR {   67}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   70}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.11213E-01 ppm1      1.978 ppm2      4.043 CV     1
 OR {   70}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {   72}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.19637E-04 ppm1      4.021 ppm2      8.176 CV     1
 ASSI {   73}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.13742E-01 ppm1      4.021 ppm2      7.698 CV     1
 ASSI {   75}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.800     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.34058E-02 ppm1      4.021 ppm2      2.286 CV     1
 ASSI {   76}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.300     2.300     3.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.13364E-01 ppm1      4.021 ppm2      2.563 CV     1
 ASSI {   77}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG1%)
      3.500     1.500     1.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.14458E-02 ppm1      3.350 ppm2      0.639 CV     1
 ASSI {   78}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak    78 spectrum    1 weight  0.10000E+01 volume  0.17846E-02 ppm1      3.350 ppm2      0.810 CV     1
 ASSI {   81}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.600     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.77867E-03 ppm1      3.350 ppm2      7.645 CV     1
 ASSI {   83}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.24895E-02 ppm1      2.121 ppm2      0.810 CV     1
 ASSI {   84}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG1%)
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.47400E-02 ppm1      2.121 ppm2      0.639 CV     1
 ASSI {   88}
   (  segid "    " and resid 7    and name HG1%)
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.29675E-02 ppm1      0.639 ppm2      0.816 CV     1
 ASSI {   89}
   (  segid "    " and resid 7    and name HG1%)
   (  segid "    " and resid 37   and name HD2%)
      3.600     1.700     1.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      0.639 ppm2      0.052 CV     1
 ASSI {   90}
   (  segid "    " and resid 7    and name HG1%)
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.57561E-02 ppm1      0.639 ppm2      7.636 CV     1
 ASSI {   99}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      6.000     6.000     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.28878E-05 ppm1      0.798 ppm2      8.817 CV     1
 ASSI {  100}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.20315E-01 ppm1      4.308 ppm2      2.571 CV     1
 ASSI {  101}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     6.000     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.33857E-06 ppm1      4.308 ppm2      2.668 CV     1
 ASSI {  102}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HD2 ))
      2.300     2.300     3.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.54572E-02 ppm1      4.308 ppm2      3.075 CV     1
 ASSI {  105}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      3.600     1.600     1.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.92014E-03 ppm1      4.308 ppm2      1.466 CV     1
 ASSI {  107}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      4.700     4.700     1.300 peak   107 spectrum    1 weight  0.10000E+01 volume  0.79475E-04 ppm1      2.579 ppm2      2.671 CV     1
 ASSI {  111}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG3 ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2      2.480 CV     1
 OR {  111}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  114}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2      1.986 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      1.975 CV     1
 OR {  115}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  119}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      4.369 CV     1
 OR {  119}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  123}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
      2.100     0.500     0.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.20714E-01 ppm1      4.102 ppm2      0.880 CV     1
 ASSI {  124}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.56764E-02 ppm1      4.102 ppm2      8.092 CV     1
 ASSI {  126}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.100     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.60150E-02 ppm1      1.943 ppm2      1.284 CV     1
 ASSI {  129}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
      3.200     1.300     1.300 peak   129 spectrum    1 weight  0.10000E+01 volume  0.17408E-02 ppm1      1.288 ppm2      0.873 CV     1
 ASSI {  132}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 11   and name HD2%)
      3.900     1.900     1.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.57958E-03 ppm1      0.591 ppm2      0.872 CV     1
 ASSI {  133}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      2.700     0.900     0.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.33260E-02 ppm1      0.591 ppm2      1.787 CV     1
 ASSI {  134}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 78   and name HD2%)
      3.400     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.12886E-02 ppm1      4.022 ppm2      0.953 CV     1
 ASSI {  135}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.000     0.500     0.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.32263E-01 ppm1      4.022 ppm2      1.474 CV     1
 ASSI {  139}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 78   and name HD2%)
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.460 ppm2      0.943 CV     1
 ASSI {  144}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.12548E-01 ppm1      1.460 ppm2      8.553 CV     1
 ASSI {  145}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.11632E-01 ppm1      1.646 ppm2      4.173 CV     1
 ASSI {  147}
   (( segid "    " and resid 13   and name HG  ))
   (  segid "    " and resid 13   and name HD2%)
      2.000     0.500     0.500 peak   147 spectrum    1 weight  0.10000E+01 volume  0.30074E-01 ppm1      1.646 ppm2      0.903 CV     1
 OR {  147}
   (( segid "    " and resid 13   and name HG  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {  156}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.31070E-01 ppm1      0.890 ppm2      4.177 CV     1
 ASSI {  157}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      6.000     6.000     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.87834E-06 ppm1      0.890 ppm2      4.020 CV     1
 ASSI {  159}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG  ))
      6.000     5.000     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.39834E-04 ppm1      1.749 ppm2      1.669 CV     1
 ASSI {  162}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.600     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.65929E-02 ppm1      1.749 ppm2      0.904 CV     1
 OR {  162}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI {  163}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 13   and name HD2%)
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.64930E-02 ppm1      1.829 ppm2      0.904 CV     1
 OR {  163}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {  164}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HG  ))
      5.500     3.800     0.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.54572E-04 ppm1      1.829 ppm2      1.672 CV     1
 ASSI {  165}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.000     3.000     3.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.88237E-03 ppm1      1.829 ppm2      1.749 CV     1
 ASSI {  167}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.48596E-02 ppm1      1.829 ppm2      4.176 CV     1
 ASSI {  168}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.57958E-02 ppm1      1.829 ppm2      7.576 CV     1
 ASSI {  170}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD2%)
      2.200     0.600     0.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.12787E-01 ppm1      4.170 ppm2      0.893 CV     1
 ASSI {  179}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG3 ))
      2.200     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.18503E-01 ppm1      4.331 ppm2      2.466 CV     1
 OR {  179}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  191}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HG3 ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      2.241 CV     1
 OR {  191}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI {  200}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG3 ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.238 ppm2      2.455 CV     1
 OR {  200}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  201}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.99791E-02 ppm1      2.238 ppm2      4.324 CV     1
 ASSI {  203}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 15   and name HA1 ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.31469E-02 ppm1      4.327 ppm2      3.608 CV     1
 ASSI {  206}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.22108E-02 ppm1      3.591 ppm2      8.169 CV     1
 ASSI {  208}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.292 ppm2      1.521 CV     1
 ASSI {  212}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.400     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.26090E-02 ppm1      2.554 ppm2      2.325 CV     1
 ASSI {  215}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      1.747 CV     1
 ASSI {  218}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      1.497 CV     1
 ASSI {  222}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.900     1.100     1.100 peak   222 spectrum    1 weight  0.10000E+01 volume  0.84249E-02 ppm1      1.737 ppm2      2.325 CV     1
 ASSI {  226}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      5.600     3.900     0.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.15137E-03 ppm1      1.737 ppm2      8.405 CV     1
 ASSI {  231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.800     1.000     1.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.24298E-02 ppm1      5.214 ppm2      1.744 CV     1
 ASSI {  232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
      5.300     3.500     0.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.12964E-03 ppm1      5.214 ppm2      2.559 CV     1
 ASSI {  235}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.22904E-02 ppm1      5.214 ppm2      9.100 CV     1
 ASSI {  236}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.32263E-02 ppm1      5.122 ppm2      2.262 CV     1
 ASSI {  238}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.100     0.600     0.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.16412E-01 ppm1      5.122 ppm2      2.573 CV     1
 ASSI {  243}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.18482E-02 ppm1      2.255 ppm2      1.688 CV     1
 ASSI {  246}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
      4.000     2.000     2.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.31867E-03 ppm1      1.680 ppm2      0.858 CV     1
 ASSI {  247}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 11   and name HD2%)
      3.800     1.900     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.14897E-02 ppm1      2.655 ppm2      0.859 CV     1
 ASSI {  248}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.655 ppm2      2.251 CV     1
 ASSI {  249}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.656 ppm2      2.565 CV     1
 ASSI {  251}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.000     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.45011E-02 ppm1      2.566 ppm2      1.687 CV     1
 ASSI {  256}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.400     1.400 peak   256 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      1.581 ppm2      1.620 CV     1
 OR {  256}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  257}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.40033E-02 ppm1      1.581 ppm2      2.217 CV     1
 OR {  257}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  258}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   258 spectrum    1 weight  0.10000E+01 volume  0.40033E-02 ppm1      1.581 ppm2      4.715 CV     1
 OR {  258}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  260}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.711 ppm2      2.888 CV     1
 OR {  260}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 75   and name HB3 ))
 ASSI {  261}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.600     1.600     1.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.52182E-03 ppm1      4.711 ppm2      2.217 CV     1
 ASSI {  263}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.710 ppm2      1.619 CV     1
 ASSI {  264}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.711 ppm2      1.402 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 37   and name HD1%)
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.10655E-01 ppm1      4.711 ppm2     -0.497 CV     1
 ASSI {  275}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.900     3.900     2.100 peak   275 spectrum    1 weight  0.10000E+01 volume  0.16829E-03 ppm1      2.224 ppm2      1.620 CV     1
 ASSI {  276}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.224 ppm2      2.258 CV     1
 ASSI {  278}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 33   and name HG2%)
      1.700     0.400     0.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.42820E-01 ppm1      1.407 ppm2      0.717 CV     1
 ASSI {  289}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      3.100     1.200     1.200 peak   289 spectrum    1 weight  0.10000E+01 volume  0.15855E-02 ppm1      3.817 ppm2      1.421 CV     1
 ASSI {  291}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      5.600     3.900     0.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.35052E-03 ppm1      3.817 ppm2      1.960 CV     1
 ASSI {  293}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.47400E-03 ppm1      3.817 ppm2     10.075 CV     1
 ASSI {  294}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 37   and name HD1%)
      5.400     3.700     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.26489E-03 ppm1      3.817 ppm2     -0.495 CV     1
 ASSI {  295}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HD3 ))
      2.800     1.000     1.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.33061E-02 ppm1      2.934 ppm2      1.651 CV     1
 OR {  295}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HD2 ))
 OR {  295}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HD3 ))
 OR {  295}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  296}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.900     1.100     1.100 peak   296 spectrum    1 weight  0.10000E+01 volume  0.37842E-02 ppm1      2.934 ppm2      1.366 CV     1
 OR {  296}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG3 ))
 OR {  296}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  298}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HA  ))
      4.700     2.800     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.82457E-03 ppm1      2.934 ppm2      4.382 CV     1
 OR {  298}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  301}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HE2 ))
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.34454E-02 ppm1      1.629 ppm2      2.944 CV     1
 OR {  301}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HE3 ))
 OR {  301}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HE3 ))
 OR {  301}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HE2 ))
 ASSI {  306}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.88628E-02 ppm1      1.381 ppm2      4.320 CV     1
 OR {  306}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  307}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.865 ppm2      1.366 CV     1
 OR {  307}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  308}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.865 ppm2      1.748 CV     1
 ASSI {  311}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
      3.000     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.34058E-02 ppm1      4.362 ppm2      1.366 CV     1
 OR {  311}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  312}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
      6.000     6.000     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.10716E-05 ppm1      4.362 ppm2      1.654 CV     1
 OR {  312}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  313}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      4.362 ppm2      1.748 CV     1
 ASSI {  314}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.300     0.700     0.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12846E-01 ppm1      4.362 ppm2      1.869 CV     1
 ASSI {  316}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.100     3.100     2.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.91809E-02 ppm1      4.362 ppm2      2.207 CV     1
 ASSI {  322}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     2.200     3.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.24496E-01 ppm1      4.362 ppm2      7.685 CV     1
 ASSI {  329}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      2.457 CV     1
 OR {  329}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  331}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.700     0.900     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.63332E-02 ppm1      4.308 ppm2      2.456 CV     1
 OR {  331}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  333}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      2.401 ppm2      2.152 CV     1
 ASSI {  336}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
      3.200     1.300     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.18024E-02 ppm1      2.401 ppm2      2.457 CV     1
 OR {  336}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  338}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      4.200     2.200     1.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.27883E-03 ppm1      2.401 ppm2      4.316 CV     1
 ASSI {  339}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.81657E-03 ppm1      2.149 ppm2      4.316 CV     1
 ASSI {  348}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      4.000     2.000     2.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.37642E-03 ppm1      3.841 ppm2      0.860 CV     1
 ASSI {  352}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     1.500     1.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      1.958 ppm2      0.729 CV     1
 ASSI {  353}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      1.800     0.400     0.400 peak   353 spectrum    1 weight  0.10000E+01 volume  0.14240E-01 ppm1      1.233 ppm2      1.962 CV     1
 ASSI {  355}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     6.000     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.28083E-04 ppm1      1.233 ppm2      0.860 CV     1
 ASSI {  356}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.600     0.900     0.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.51782E-02 ppm1      1.233 ppm2      0.729 CV     1
 ASSI {  358}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.19439E-02 ppm1      1.958 ppm2      3.852 CV     1
 ASSI {  359}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.600     2.700     1.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.31867E-03 ppm1      1.233 ppm2      3.852 CV     1
 ASSI {  361}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      4.200     2.200     1.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      1.958 ppm2      7.694 CV     1
 ASSI {  363}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 37   and name HD2%)
      3.300     3.300     2.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.70712E-03 ppm1      0.722 ppm2      0.039 CV     1
 ASSI {  364}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 37   and name HD1%)
      3.100     3.100     2.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.98402E-03 ppm1      0.722 ppm2     -0.508 CV     1
 ASSI {  365}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.42422E-04 ppm1      0.722 ppm2      0.859 CV     1
 ASSI {  366}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
      3.100     1.200     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.15197E-02 ppm1      0.722 ppm2      1.533 CV     1
 ASSI {  369}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.10037E-01 ppm1      0.722 ppm2      3.369 CV     1
 ASSI {  370}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      4.700     2.700     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.10596E-02 ppm1      0.722 ppm2      3.848 CV     1
 ASSI {  372}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   372 spectrum    1 weight  0.10000E+01 volume  0.11890E-01 ppm1      0.722 ppm2      7.691 CV     1
 ASSI {  375}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB3 ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      1.963 CV     1
 ASSI {  377}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD2%)
      1.800     0.400     0.400 peak   377 spectrum    1 weight  0.10000E+01 volume  0.39635E-01 ppm1      1.529 ppm2      0.858 CV     1
 ASSI {  383}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.764 ppm2      4.036 CV     1
 ASSI {  386}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.12050E-01 ppm1      3.764 ppm2      7.896 CV     1
 ASSI {  391}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.036 ppm2      3.909 CV     1
 ASSI {  393}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.55368E-02 ppm1      4.036 ppm2      7.892 CV     1
 ASSI {  395}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      4.500     2.600     1.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.31469E-03 ppm1      4.036 ppm2      0.441 CV     1
 ASSI {  396}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.80850E-03 ppm1      1.515 ppm2      4.332 CV     1
 ASSI {  397}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HA  ))
      1.900     0.500     0.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.39236E-01 ppm1      1.516 ppm2      4.141 CV     1
 ASSI {  398}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HB2 ))
      3.400     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.44017E-02 ppm1      1.515 ppm2      1.823 CV     1
 OR {  398}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {  400}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 20   and name HG3 ))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.515 ppm2      1.354 CV     1
 ASSI {  407}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      2.100     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.20117E-01 ppm1      1.515 ppm2      7.518 CV     1
 ASSI {  410}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HD3 ))
      5.600     3.900     0.400 peak   410 spectrum    1 weight  0.10000E+01 volume  0.56959E-04 ppm1      1.794 ppm2      3.202 CV     1
 OR {  410}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  410}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  410}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {  412}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      5.600     4.000     0.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.80850E-04 ppm1      1.794 ppm2      4.103 CV     1
 OR {  412}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  416}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
      6.000     4.500     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.842 ppm2      1.812 CV     1
 OR {  416}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  416}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  416}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI {  419}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
      2.700     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.63139E-02 ppm1      1.842 ppm2      3.203 CV     1
 OR {  419}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI {  420}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.100     0.500     0.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.25693E-01 ppm1      1.842 ppm2      4.127 CV     1
 OR {  420}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  426}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      6.000     5.600     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.27285E-04 ppm1      4.104 ppm2      2.259 CV     1
 OR {  426}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {  430}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.68906E-02 ppm1      4.104 ppm2      8.493 CV     1
 ASSI {  433}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 22   and name HD2%)
      1.800     1.800     4.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.26687E-01 ppm1      1.597 ppm2      0.857 CV     1
 ASSI {  437}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 26   and name HD2%)
      2.600     0.800     0.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.85036E-02 ppm1      0.634 ppm2      0.789 CV     1
 ASSI {  438}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      3.100     1.200     1.200 peak   438 spectrum    1 weight  0.10000E+01 volume  0.20912E-02 ppm1      0.634 ppm2      1.595 CV     1
 OR {  438}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB3 ))
 ASSI {  442}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      1.900     0.500     0.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.36845E-01 ppm1      0.776 ppm2      4.461 CV     1
 ASSI {  455}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HG3 ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.137 ppm2      2.260 CV     1
 OR {  455}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  459}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.137 ppm2      2.055 CV     1
 ASSI {  462}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG2 ))
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.064 ppm2      2.256 CV     1
 OR {  462}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {  467}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.61740E-02 ppm1      2.273 ppm2      3.925 CV     1
 OR {  467}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  471}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      3.000     1.200     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.18841E-02 ppm1      3.376 ppm2      1.215 CV     1
 ASSI {  474}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.376 ppm2      4.895 CV     1
 ASSI {  475}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.97192E-02 ppm1      3.376 ppm2      8.028 CV     1
 ASSI {  487}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     6.000     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.77867E-06 ppm1      3.751 ppm2      2.069 CV     1
 ASSI {  488}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.900     1.000     1.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      3.751 ppm2      2.146 CV     1
 OR {  488}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  491}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.30472E-03 ppm1      3.751 ppm2      9.151 CV     1
 ASSI {  492}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      2.071 CV     1
 ASSI {  496}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      1.967 CV     1
 ASSI {  498}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HG3 ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      2.454 CV     1
 ASSI {  499}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      2.071 CV     1
 ASSI {  503}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
      4.500     2.500     1.500 peak   503 spectrum    1 weight  0.10000E+01 volume  0.29277E-03 ppm1      2.166 ppm2      2.443 CV     1
 ASSI {  506}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.13484E-02 ppm1      4.379 ppm2      2.565 CV     1
 OR {  506}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  507}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.000     0.500     0.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.16809E-01 ppm1      4.379 ppm2      2.350 CV     1
 ASSI {  509}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.80050E-02 ppm1      4.379 ppm2      1.710 CV     1
 ASSI {  513}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.000     0.500     0.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.80050E-02 ppm1      1.685 ppm2      2.353 CV     1
 ASSI {  516}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.300     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.26090E-02 ppm1      3.752 ppm2      3.398 CV     1
 ASSI {  522}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.895 ppm2      1.711 CV     1
 ASSI {  524}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD1%)
      6.000     6.000     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.94401E-06 ppm1      1.640 ppm2      0.813 CV     1
 ASSI {  525}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD2%)
      2.000     0.500     0.500 peak   525 spectrum    1 weight  0.10000E+01 volume  0.26090E-01 ppm1      1.640 ppm2      0.890 CV     1
 ASSI {  527}
   (( segid "    " and resid 32   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.200     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.16908E-03 ppm1      1.640 ppm2      7.045 CV     1
 ASSI {  528}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.811 ppm2      1.770 CV     1
 ASSI {  529}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.811 ppm2      1.451 CV     1
 ASSI {  531}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.700     2.700     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.85447E-03 ppm1      0.811 ppm2      7.046 CV     1
 ASSI {  533}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG  ))
      4.200     2.200     1.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.22904E-03 ppm1      1.447 ppm2      1.640 CV     1
 ASSI {  535}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HG12))
      3.000     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.14381E-01 ppm1      1.447 ppm2      0.852 CV     1
 ASSI {  537}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 32   and name HD2%)
      2.700     0.900     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.15335E-01 ppm1      1.765 ppm2      0.892 CV     1
 ASSI {  538}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.92014E-03 ppm1      1.765 ppm2      1.442 CV     1
 ASSI {  539}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HG  ))
      4.000     2.000     2.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.38638E-03 ppm1      1.765 ppm2      1.640 CV     1
 ASSI {  540}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.24697E-03 ppm1      1.765 ppm2      4.186 CV     1
 ASSI {  541}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.800     1.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.54371E-03 ppm1      1.765 ppm2      7.047 CV     1
 ASSI {  543}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD1%)
      5.400     3.600     0.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.14240E-03 ppm1      4.151 ppm2      0.814 CV     1
 ASSI {  545}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.100     0.600     0.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.28878E-01 ppm1      4.151 ppm2      1.763 CV     1
 ASSI {  546}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     6.000     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.12687E-05 ppm1      4.151 ppm2      2.360 CV     1
 ASSI {  550}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.83052E-02 ppm1      4.151 ppm2      7.049 CV     1
 ASSI {  551}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.46207E-03 ppm1      4.151 ppm2      7.321 CV     1
 ASSI {  558}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.200     2.200     3.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.15276E-01 ppm1      3.587 ppm2      1.781 CV     1
 ASSI {  559}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 32   and name HD1%)
      6.000     6.000     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.21511E-07 ppm1      3.587 ppm2      0.822 CV     1
 ASSI {  560}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.300     3.300     2.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.70910E-02 ppm1      3.587 ppm2      0.960 CV     1
 ASSI {  561}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      2.100     0.500     0.500 peak   561 spectrum    1 weight  0.10000E+01 volume  0.14381E-01 ppm1      3.588 ppm2      0.430 CV     1
 ASSI {  563}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 32   and name HD1%)
      4.900     3.000     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.41426E-03 ppm1      2.161 ppm2      0.819 CV     1
 ASSI {  564}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 73   and name HG2 ))
      6.000     5.300     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.79666E-04 ppm1      2.161 ppm2      1.976 CV     1
 OR {  564}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 73   and name HG3 ))
 ASSI {  569}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.19559E-02 ppm1      0.714 ppm2      4.004 CV     1
 ASSI {  570}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      5.600     3.900     0.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.29079E-03 ppm1      0.714 ppm2      3.816 CV     1
 ASSI {  571}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.400     1.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.20513E-03 ppm1      0.714 ppm2      3.598 CV     1
 ASSI {  572}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
      3.100     1.200     1.200 peak   572 spectrum    1 weight  0.10000E+01 volume  0.13384E-02 ppm1      0.714 ppm2      2.166 CV     1
 ASSI {  573}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 73   and name HG2 ))
      3.700     1.700     1.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.21311E-02 ppm1      0.714 ppm2      1.975 CV     1
 OR {  573}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 73   and name HG3 ))
 ASSI {  581}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 33   and name HG2%)
      2.400     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.72094E-02 ppm1      0.432 ppm2      0.710 CV     1
 ASSI {  582}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      6.000     6.000     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.75493E-06 ppm1      0.432 ppm2      0.851 CV     1
 ASSI {  583}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 28   and name HG2%)
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.13722E-02 ppm1      0.432 ppm2      1.230 CV     1
 ASSI {  584}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG13))
      3.000     1.200     1.200 peak   584 spectrum    1 weight  0.10000E+01 volume  0.14480E-02 ppm1      0.432 ppm2      1.401 CV     1
 ASSI {  587}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 28   and name HB  ))
      3.100     1.200     1.200 peak   587 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      0.432 ppm2      3.387 CV     1
 ASSI {  589}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      5.000     3.100     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.16710E-03 ppm1      0.432 ppm2      3.957 CV     1
 ASSI {  591}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      0.710 CV     1
 ASSI {  593}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.32263E-02 ppm1      4.004 ppm2      2.580 CV     1
 OR {  593}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  600}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.700     0.900     0.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.33857E-02 ppm1      4.118 ppm2      2.076 CV     1
 OR {  600}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  601}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 32   and name HD1%)
      3.800     1.800     1.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.22306E-02 ppm1      4.118 ppm2      0.798 CV     1
 ASSI {  606}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     3.600     2.400 peak   606 spectrum    1 weight  0.10000E+01 volume  0.27486E-02 ppm1      4.118 ppm2      9.028 CV     1
 ASSI {  609}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 32   and name HD2%)
      2.100     0.500     0.500 peak   609 spectrum    1 weight  0.10000E+01 volume  0.23900E-01 ppm1      1.428 ppm2      0.895 CV     1
 ASSI {  611}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.40033E-02 ppm1      1.428 ppm2      2.595 CV     1
 OR {  611}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  612}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
      1.900     0.400     0.400 peak   612 spectrum    1 weight  0.10000E+01 volume  0.39434E-01 ppm1      1.428 ppm2      4.122 CV     1
 ASSI {  614}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak   614 spectrum    1 weight  0.10000E+01 volume  0.20912E-01 ppm1      1.428 ppm2      7.738 CV     1
 ASSI {  619}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.900     1.900     1.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.59548E-03 ppm1      3.926 ppm2      2.173 CV     1
 ASSI {  620}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.400     2.400     1.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.37842E-03 ppm1      3.926 ppm2      2.323 CV     1
 ASSI {  621}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.300     3.300     2.700 peak   621 spectrum    1 weight  0.10000E+01 volume  0.48996E-02 ppm1      3.926 ppm2      0.848 CV     1
 ASSI {  622}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.22506E-02 ppm1      2.174 ppm2      1.766 CV     1
 ASSI {  623}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.500     0.800     0.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.28481E-02 ppm1      2.317 ppm2      2.681 CV     1
 ASSI {  625}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      1.792 CV     1
 ASSI {  627}
   (( segid "    " and resid 36   and name HG2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.300     2.300     1.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.10795E-02 ppm1      2.317 ppm2      0.847 CV     1
 ASSI {  629}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.67709E-02 ppm1      0.032 ppm2     -0.829 CV     1
 ASSI {  634}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 74   and name HG2 ))
      4.900     3.100     1.100 peak   634 spectrum    1 weight  0.10000E+01 volume  0.15714E-03 ppm1      0.032 ppm2      1.780 CV     1
 ASSI {  635}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 76   and name HB3 ))
      4.600     2.700     1.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.19776E-03 ppm1      0.032 ppm2      2.891 CV     1
 OR {  635}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  636}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
      4.700     2.800     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.36249E-03 ppm1      0.032 ppm2      3.415 CV     1
 ASSI {  637}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.13027E-02 ppm1      0.032 ppm2      8.397 CV     1
 ASSI {  639}
   (( segid "    " and resid 37   and name HG  ))
   (  segid "    " and resid 37   and name HD2%)
      3.100     1.200     1.200 peak   639 spectrum    1 weight  0.10000E+01 volume  0.16292E-02 ppm1      1.088 ppm2      0.033 CV     1
 ASSI {  640}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.500     1.600     1.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.85447E-03 ppm1      1.088 ppm2     -0.827 CV     1
 ASSI {  642}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   642 spectrum    1 weight  0.10000E+01 volume  0.14200E-02 ppm1     -0.504 ppm2     -0.831 CV     1
 ASSI {  644}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 37   and name HD2%)
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.18005E-02 ppm1     -0.504 ppm2      0.033 CV     1
 ASSI {  645}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 33   and name HG2%)
      2.900     1.000     1.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.58159E-02 ppm1     -0.504 ppm2      0.716 CV     1
 ASSI {  646}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 48   and name HB3 ))
      4.900     3.000     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.32263E-03 ppm1     -0.504 ppm2      0.857 CV     1
 ASSI {  647}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HG  ))
      2.000     0.500     0.500 peak   647 spectrum    1 weight  0.10000E+01 volume  0.18542E-01 ppm1     -0.504 ppm2      1.089 CV     1
 ASSI {  648}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
      2.400     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.75883E-02 ppm1     -0.504 ppm2      1.416 CV     1
 ASSI {  649}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12329E-02 ppm1     -0.504 ppm2      4.015 CV     1
 ASSI {  651}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.76075E-02 ppm1     -0.504 ppm2     10.067 CV     1
 ASSI {  653}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB3 ))
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.28481E-02 ppm1     -0.840 ppm2      0.947 CV     1
 ASSI {  657}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HD1%)
      6.000     5.100     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.25294E-04 ppm1      3.407 ppm2     -0.498 CV     1
 ASSI {  658}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.600     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.46207E-04 ppm1      3.407 ppm2     -0.832 CV     1
 ASSI {  660}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.100     0.500     0.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.20912E-01 ppm1      4.014 ppm2      2.076 CV     1
 OR {  660}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  662}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
      5.000     3.200     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.10893E-03 ppm1      4.014 ppm2      2.531 CV     1
 ASSI {  663}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.800     2.800     3.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.27086E-02 ppm1      4.014 ppm2      2.603 CV     1
 ASSI {  673}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      2.074 CV     1
 OR {  673}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  674}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     4.500     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      2.535 CV     1
 ASSI {  676}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   676 spectrum    1 weight  0.10000E+01 volume  0.54371E-02 ppm1      2.279 ppm2      4.029 CV     1
 ASSI {  682}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.300     1.400     1.400 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14639E-02 ppm1      2.530 ppm2      2.078 CV     1
 OR {  682}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  685}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.83244E-03 ppm1      4.160 ppm2      8.027 CV     1
 ASSI {  687}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      3.500     1.500     1.500 peak   687 spectrum    1 weight  0.10000E+01 volume  0.98793E-03 ppm1      4.160 ppm2      1.612 CV     1
 ASSI {  688}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD3 ))
      4.900     3.000     1.100 peak   688 spectrum    1 weight  0.10000E+01 volume  0.40631E-03 ppm1      4.160 ppm2      3.198 CV     1
 OR {  688}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD2 ))
 ASSI {  690}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.100     1.100 peak   690 spectrum    1 weight  0.10000E+01 volume  0.24298E-02 ppm1      1.952 ppm2      7.817 CV     1
 OR {  690}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  691}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      2.100     0.600     0.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.17346E-01 ppm1      1.952 ppm2      8.576 CV     1
 OR {  691}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  692}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.000     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.22904E-01 ppm1      1.952 ppm2      4.172 CV     1
 OR {  692}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  694}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HD3 ))
      3.500     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      1.952 ppm2      3.171 CV     1
 OR {  694}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HD3 ))
 OR {  694}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  694}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
 ASSI {  695}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     4.500     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.952 ppm2      2.269 CV     1
 OR {  695}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  697}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.952 ppm2      1.612 CV     1
 OR {  697}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI {  698}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG3 ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.952 ppm2      1.749 CV     1
 OR {  698}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI {  699}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
      5.000     3.200     1.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.37842E-03 ppm1      1.952 ppm2      0.843 CV     1
 OR {  699}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  701}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 4    and name HD2%)
      2.600     0.900     0.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.56959E-02 ppm1      3.182 ppm2      0.901 CV     1
 OR {  701}
   (( segid "    " and resid 39   and name HD3 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  702}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG3 ))
      2.100     0.500     0.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.26090E-01 ppm1      3.182 ppm2      1.757 CV     1
 OR {  702}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI {  708}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.754 ppm2      1.628 CV     1
 ASSI {  716}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HD2 ))
      2.800     1.000     1.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.28878E-02 ppm1      1.630 ppm2      3.185 CV     1
 OR {  716}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HD3 ))
 ASSI {  719}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.200     0.600     0.600 peak   719 spectrum    1 weight  0.10000E+01 volume  0.11711E-01 ppm1      1.953 ppm2      2.146 CV     1
 OR {  719}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI {  721}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.145 ppm2      2.451 CV     1
 OR {  721}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  722}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.000     2.000     4.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.11890E-01 ppm1      2.145 ppm2      1.757 CV     1
 OR {  722}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 4    and name HG  ))
 ASSI {  723}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.700     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.16869E-02 ppm1      2.843 ppm2      2.151 CV     1
 ASSI {  725}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.600     0.800     0.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.17486E-01 ppm1      3.957 ppm2      2.125 CV     1
 ASSI {  726}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.200     2.200     1.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.89236E-03 ppm1      3.957 ppm2      1.561 CV     1
 ASSI {  727}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.400     1.500     1.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      3.957 ppm2      1.968 CV     1
 OR {  727}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  729}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG3 ))
      4.400     2.400     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.25294E-03 ppm1      3.957 ppm2      2.847 CV     1
 ASSI {  731}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak   731 spectrum    1 weight  0.10000E+01 volume  0.13843E-02 ppm1      3.957 ppm2      8.593 CV     1
 ASSI {  733}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.200     0.600     0.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.17466E-01 ppm1      2.437 ppm2      4.243 CV     1
 OR {  733}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  734}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      2.330 CV     1
 OR {  734}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  735}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      2.604 CV     1
 OR {  735}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI {  737}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.70507E-03 ppm1      4.236 ppm2      2.316 CV     1
 ASSI {  739}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.71492E-02 ppm1      2.568 ppm2      2.316 CV     1
 ASSI {  742}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      3.800     3.800     2.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.22108E-02 ppm1      4.236 ppm2      0.850 CV     1
 ASSI {  744}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak   744 spectrum    1 weight  0.10000E+01 volume  0.54771E-02 ppm1      4.236 ppm2      7.087 CV     1
 ASSI {  746}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      5.100     3.300     0.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.10995E-03 ppm1      4.236 ppm2      8.029 CV     1
 ASSI {  749}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 35   and name HB% )
      6.000     6.000     0.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.12787E-05 ppm1      1.602 ppm2      1.417 CV     1
 ASSI {  750}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HG3 ))
      5.600     3.900     0.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.11771E-03 ppm1      1.602 ppm2      2.825 CV     1
 ASSI {  753}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.000     1.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.35052E-02 ppm1      1.602 ppm2      4.244 CV     1
 ASSI {  762}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB2 ))
      2.800     2.800     3.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.11312E-01 ppm1      1.602 ppm2      2.014 CV     1
 ASSI {  764}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13802E-02 ppm1      2.813 ppm2      2.624 CV     1
 ASSI {  765}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.45410E-02 ppm1      2.813 ppm2      2.040 CV     1
 ASSI {  766}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB3 ))
      3.200     1.300     1.300 peak   766 spectrum    1 weight  0.10000E+01 volume  0.21708E-02 ppm1      2.813 ppm2      2.369 CV     1
 ASSI {  767}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     2.600     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.48796E-03 ppm1      2.813 ppm2      4.401 CV     1
 ASSI {  769}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.626 ppm2      2.040 CV     1
 ASSI {  770}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.626 ppm2      2.369 CV     1
 ASSI {  773}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12070E-02 ppm1      2.626 ppm2      4.401 CV     1
 ASSI {  774}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.32663E-02 ppm1      2.626 ppm2      7.645 CV     1
 ASSI {  776}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.029 ppm2      2.365 CV     1
 ASSI {  781}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.600     1.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.85645E-03 ppm1      2.368 ppm2      4.408 CV     1
 ASSI {  783}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.24895E-02 ppm1      4.399 ppm2      2.036 CV     1
 ASSI {  796}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.19259E-02 ppm1      4.195 ppm2      4.065 CV     1
 ASSI {  800}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak   800 spectrum    1 weight  0.10000E+01 volume  0.19479E-02 ppm1      4.195 ppm2      8.023 CV     1
 ASSI {  802}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      3.200     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      5.276 ppm2      0.812 CV     1
 OR {  802}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  803}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      2.700     0.900     0.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.30671E-02 ppm1      2.312 ppm2      0.841 CV     1
 OR {  803}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  806}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     3.600     2.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.22108E-02 ppm1      2.312 ppm2      4.223 CV     1
 ASSI {  807}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.27883E-02 ppm1      2.312 ppm2      5.301 CV     1
 ASSI {  810}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.600     1.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.56959E-02 ppm1      5.276 ppm2      4.511 CV     1
 ASSI {  814}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     6.000     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.43418E-05 ppm1      5.276 ppm2      8.314 CV     1
 ASSI {  817}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.839 ppm2      2.314 CV     1
 ASSI {  819}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.839 ppm2      5.292 CV     1
 ASSI {  820}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.79263E-02 ppm1      0.839 ppm2      7.108 CV     1
 ASSI {  822}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
      3.000     1.100     1.100 peak   822 spectrum    1 weight  0.10000E+01 volume  0.25294E-02 ppm1      1.883 ppm2      0.802 CV     1
 ASSI {  826}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     2.300     3.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.13663E-01 ppm1      1.883 ppm2      4.756 CV     1
 ASSI {  827}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.89236E-03 ppm1      1.883 ppm2      8.265 CV     1
 ASSI {  829}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 47   and name HG1%)
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.800 ppm2      0.756 CV     1
 ASSI {  834}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 79   and name HD2 ))
      2.200     2.200     3.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.83846E-02 ppm1      0.800 ppm2      3.043 CV     1
 OR {  834}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 79   and name HD3 ))
 ASSI {  841}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HB  ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.760 ppm2      1.885 CV     1
 ASSI {  842}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.15534E-01 ppm1      0.760 ppm2      4.753 CV     1
 ASSI {  848}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
      1.700     0.400     0.500 peak   848 spectrum    1 weight  0.10000E+01 volume  0.19637E-01 ppm1      0.749 ppm2      0.855 CV     1
 ASSI {  849}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG3 ))
      3.300     1.400     1.400 peak   849 spectrum    1 weight  0.10000E+01 volume  0.13982E-02 ppm1      0.749 ppm2      0.336 CV     1
 OR {  849}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  850}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HG3 ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.13982E-02 ppm1      0.861 ppm2      0.334 CV     1
 OR {  850}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  854}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.500     1.600 peak   854 spectrum    1 weight  0.10000E+01 volume  0.17169E-03 ppm1      0.749 ppm2      4.140 CV     1
 ASSI {  855}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.200     0.600     0.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.13941E-01 ppm1      4.131 ppm2      0.850 CV     1
 ASSI {  856}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      2.300     0.700     0.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.92014E-02 ppm1      4.131 ppm2      5.341 CV     1
 ASSI {  857}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.38439E-02 ppm1      4.131 ppm2      9.040 CV     1
 ASSI {  859}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      4.300     2.300     1.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.29875E-03 ppm1      4.150 ppm2      1.623 CV     1
 ASSI {  866}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.31469E-02 ppm1      1.618 ppm2      9.016 CV     1
 ASSI {  868}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 49   and name HG2%)
      3.400     1.500     1.500 peak   868 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      0.645 ppm2      0.807 CV     1
 ASSI {  871}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 49   and name HB  ))
      3.200     1.300     1.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.23502E-02 ppm1      0.645 ppm2      1.602 CV     1
 ASSI {  874}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HG13))
      2.600     0.800     0.800 peak   874 spectrum    1 weight  0.10000E+01 volume  0.13364E-01 ppm1      0.791 ppm2      1.265 CV     1
 ASSI {  875}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 75   and name HB3 ))
      2.800     1.000     1.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.12109E-01 ppm1      0.791 ppm2      2.894 CV     1
 OR {  875}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  876}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.200     1.200 peak   876 spectrum    1 weight  0.10000E+01 volume  0.23303E-02 ppm1      0.791 ppm2      4.177 CV     1
 ASSI {  877}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   877 spectrum    1 weight  0.10000E+01 volume  0.35052E-02 ppm1      0.645 ppm2      4.163 CV     1
 ASSI {  878}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      3.900     1.900     1.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      0.645 ppm2      2.884 CV     1
 OR {  878}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 75   and name HB3 ))
 ASSI {  879}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.16869E-02 ppm1      0.645 ppm2      9.018 CV     1
 ASSI {  880}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      2.600     2.600     3.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.13663E-01 ppm1      0.791 ppm2      9.018 CV     1
 ASSI {  884}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HB  ))
      3.100     1.200     1.200 peak   884 spectrum    1 weight  0.10000E+01 volume  0.17587E-02 ppm1      0.791 ppm2      1.619 CV     1
 ASSI {  885}
   (( segid "    " and resid 49   and name HG13))
   (( segid "    " and resid 49   and name HG12))
      2.400     0.700     0.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.31667E-02 ppm1      1.263 ppm2      0.939 CV     1
 ASSI {  891}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.000     0.500     0.500 peak   891 spectrum    1 weight  0.10000E+01 volume  0.17068E-01 ppm1      3.728 ppm2      4.964 CV     1
 OR {  891}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  892}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 49   and name HG2%)
      3.000     3.000     3.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.85036E-02 ppm1      3.728 ppm2      0.796 CV     1
 OR {  892}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI {  894}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.76075E-04 ppm1      3.728 ppm2      7.798 CV     1
 OR {  894}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  896}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     5.000     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.12548E-03 ppm1      3.728 ppm2      2.085 CV     1
 OR {  896}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI {  898}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.945 ppm2      8.727 CV     1
 ASSI {  903}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.896 ppm2      2.174 CV     1
 OR {  903}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  904}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 49   and name HB  ))
      6.000     4.500     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.896 ppm2      1.600 CV     1
 ASSI {  906}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   906 spectrum    1 weight  0.10000E+01 volume  0.21909E-02 ppm1      1.896 ppm2      4.542 CV     1
 ASSI {  914}
   (( segid "    " and resid 51   and name HG3 ))
   (( segid "    " and resid 52   and name HN  ))
      2.200     0.600     0.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.17068E-01 ppm1      2.178 ppm2      8.461 CV     1
 OR {  914}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  915}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      1.900     0.500     0.500 peak   915 spectrum    1 weight  0.10000E+01 volume  0.25693E-01 ppm1      4.521 ppm2      8.448 CV     1
 ASSI {  925}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      2.700     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.41426E-02 ppm1      4.514 ppm2      4.197 CV     1
 ASSI {  934}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.300     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.12587E-01 ppm1      1.136 ppm2      4.197 CV     1
 ASSI {  936}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.000     0.500     0.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.24298E-01 ppm1      1.136 ppm2      8.457 CV     1
 ASSI {  941}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
      2.700     0.900     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.27883E-01 ppm1      4.450 ppm2      1.968 CV     1
 ASSI {  949}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.43617E-02 ppm1      3.843 ppm2      8.490 CV     1
 OR {  949}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  956}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak   956 spectrum    1 weight  0.10000E+01 volume  0.30870E-02 ppm1      2.246 ppm2      4.212 CV     1
 OR {  956}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  960}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB3 ))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.912 ppm2      2.029 CV     1
 ASSI {  963}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.912 ppm2      0.806 CV     1
 ASSI {  964}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.500     0.500 peak   964 spectrum    1 weight  0.10000E+01 volume  0.22306E-01 ppm1      1.912 ppm2      4.212 CV     1
 ASSI {  969}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.100     3.100     2.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.35253E-02 ppm1      2.028 ppm2      8.226 CV     1
 ASSI {  972}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      4.900     3.000     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.21511E-03 ppm1      4.217 ppm2      2.249 CV     1
 OR {  972}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  982}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 54   and name HB3 ))
      4.200     2.200     1.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.77266E-03 ppm1      3.914 ppm2      2.015 CV     1
 OR {  982}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  985}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     1.300     1.300 peak   985 spectrum    1 weight  0.10000E+01 volume  0.24697E-02 ppm1      2.875 ppm2      8.218 CV     1
 OR {  985}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  989}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.40828E-02 ppm1      2.875 ppm2      4.468 CV     1
 OR {  989}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  992}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.84249E-02 ppm1      4.471 ppm2      8.217 CV     1
 ASSI {  998}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HA1 ))
      4.900     3.000     1.100 peak   998 spectrum    1 weight  0.10000E+01 volume  0.34256E-03 ppm1      4.471 ppm2      3.909 CV     1
 OR {  998}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HA2 ))
 ASSI { 1010}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HD1%)
      3.100     1.200     1.200 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.37842E-02 ppm1      4.359 ppm2      0.795 CV     1
 ASSI { 1011}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HD2%)
      6.000     6.000     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.17726E-05 ppm1      4.359 ppm2      0.862 CV     1
 ASSI { 1015}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 57   and name HD2%)
      2.100     0.600     0.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.20315E-01 ppm1      1.632 ppm2      0.883 CV     1
 ASSI { 1016}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HD2%)
      2.300     2.300     3.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.19100E-01 ppm1      1.550 ppm2      0.853 CV     1
 ASSI { 1018}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      1.400     0.200     0.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.86630E-01 ppm1      1.550 ppm2      1.618 CV     1
 ASSI { 1020}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.12151E-01 ppm1      1.550 ppm2      4.362 CV     1
 ASSI { 1028}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HB2 ))
      6.000     4.500     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.798 ppm2      1.551 CV     1
 ASSI { 1041}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     6.000     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.14021E-04 ppm1      3.825 ppm2      8.491 CV     1
 ASSI { 1043}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      6.000     5.100     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.40033E-04 ppm1      4.371 ppm2      3.819 CV     1
 ASSI { 1045}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.000     0.500     0.500 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.24298E-01 ppm1      4.371 ppm2      3.879 CV     1
 ASSI { 1052}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.22904E-02 ppm1      4.371 ppm2      8.469 CV     1
 ASSI { 1069}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.900     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.33260E-04 ppm1      4.428 ppm2      8.402 CV     1
 ASSI { 1076}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.500     0.800     0.800 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.86835E-02 ppm1      4.504 ppm2      2.912 CV     1
 OR { 1076}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1094}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.100     3.100     2.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.86835E-03 ppm1      4.274 ppm2      1.137 CV     1
 ASSI { 1096}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HD3 ))
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2      1.630 CV     1
 OR { 1096}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI { 1098}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HG3 ))
      6.000     4.500     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2      1.395 CV     1
 OR { 1098}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI { 1100}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     4.500     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2      1.821 CV     1
 ASSI { 1101}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.46803E-03 ppm1      1.709 ppm2      4.280 CV     1
 ASSI { 1102}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      1.900     0.400     0.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.34854E-01 ppm1      4.274 ppm2      8.295 CV     1
 ASSI { 1109}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HG3 ))
      6.000     4.500     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.629 ppm2      1.405 CV     1
 OR { 1109}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1109}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1109}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI { 1111}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HG3 ))
      3.100     1.200     1.200 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.26090E-02 ppm1      2.940 ppm2      1.405 CV     1
 OR { 1111}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1111}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1111}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI { 1113}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HB2 ))
      5.800     4.200     0.200 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.10037E-03 ppm1      2.940 ppm2      1.707 CV     1
 OR { 1113}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1114}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     3.000     3.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.12647E-02 ppm1      2.940 ppm2      4.380 CV     1
 OR { 1114}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1119}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.396 ppm2      1.827 CV     1
 OR { 1119}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 1121}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 51   and name HN  ))
      5.000     3.100     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.17408E-03 ppm1      1.629 ppm2      8.734 CV     1
 OR { 1121}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1127}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     6.000     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.14279E-05 ppm1      4.396 ppm2      2.851 CV     1
 OR { 1127}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI { 1136}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.782 ppm2      2.852 CV     1
 OR { 1136}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI { 1146}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.17408E-02 ppm1      4.347 ppm2      8.687 CV     1
 ASSI { 1149}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.900     3.000     1.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.23900E-03 ppm1      4.347 ppm2      1.878 CV     1
 ASSI { 1150}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.700     1.700     1.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.26090E-02 ppm1      4.347 ppm2      1.972 CV     1
 OR { 1150}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG3 ))
 ASSI { 1151}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      1.880 CV     1
 ASSI { 1152}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG2 ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      1.973 CV     1
 OR { 1152}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG3 ))
 ASSI { 1154}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.66505E-02 ppm1      2.271 ppm2      4.355 CV     1
 ASSI { 1158}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
      6.000     4.500     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      2.044 CV     1
 ASSI { 1159}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      2.218 CV     1
 ASSI { 1160}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     6.000     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.13642E-05 ppm1      1.877 ppm2      8.685 CV     1
 ASSI { 1161}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.700     1.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.44813E-03 ppm1      1.877 ppm2      9.148 CV     1
 ASSI { 1163}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HG3 ))
      2.600     0.800     0.800 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.52580E-02 ppm1      3.717 ppm2      1.987 CV     1
 OR { 1163}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 65   and name HG2 ))
 OR { 1163}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HG2 ))
 OR { 1163}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 65   and name HG3 ))
 ASSI { 1166}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.22108E-02 ppm1      3.717 ppm2      4.798 CV     1
 OR { 1166}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1170}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      1.933 CV     1
 OR { 1170}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1171}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
      6.000     4.500     0.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.248 ppm2      2.037 CV     1
 OR { 1171}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 1173}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     6.000     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.28083E-05 ppm1      2.248 ppm2      1.695 CV     1
 OR { 1173}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1178}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     2.300     3.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.17187E-01 ppm1      2.248 ppm2      4.267 CV     1
 OR { 1178}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1179}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
      6.000     4.500     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.913 ppm2      2.037 CV     1
 ASSI { 1184}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.000     0.500     0.500 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.23502E-01 ppm1      1.913 ppm2      4.217 CV     1
 ASSI { 1190}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 10   and name HG2 ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.030 ppm2      2.470 CV     1
 OR { 1190}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 10   and name HG3 ))
 ASSI { 1192}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      2.300     2.300     3.700 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.24298E-01 ppm1      2.030 ppm2      4.220 CV     1
 ASSI { 1195}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      2.100     0.600     0.600 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.12229E-01 ppm1      2.030 ppm2      8.332 CV     1
 ASSI { 1197}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 67   and name HA2 ))
      1.600     0.300     0.600 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.57758E-01 ppm1      3.849 ppm2      3.968 CV     1
 ASSI { 1198}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.000     0.500     0.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.24298E-01 ppm1      3.849 ppm2      8.305 CV     1
 ASSI { 1203}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.96590E-03 ppm1      1.696 ppm2      4.284 CV     1
 ASSI { 1204}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD3 ))
      6.000     4.500     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      1.631 CV     1
 OR { 1204}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD2 ))
 ASSI { 1206}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB3 ))
      6.000     4.500     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      1.805 CV     1
 ASSI { 1207}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      1.379 CV     1
 OR { 1207}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG3 ))
 ASSI { 1213}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 68   and name HD3 ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.366 ppm2      1.628 CV     1
 OR { 1213}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HD2 ))
 OR { 1213}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 68   and name HD2 ))
 OR { 1213}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HD3 ))
 ASSI { 1217}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HB3 ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.621 ppm2      1.802 CV     1
 OR { 1217}
   (( segid "    " and resid 68   and name HD3 ))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI { 1221}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     2.300     3.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.15874E-01 ppm1      1.812 ppm2      4.280 CV     1
 ASSI { 1240}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HD3 ))
      3.700     1.800     1.800 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.85036E-03 ppm1      2.870 ppm2      3.768 CV     1
 OR { 1240}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 31   and name HD3 ))
 ASSI { 1241}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.51584E-02 ppm1      2.870 ppm2      4.458 CV     1
 OR { 1241}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1244}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.49991E-02 ppm1      2.870 ppm2      8.439 CV     1
 OR { 1244}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1257}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.57758E-03 ppm1      3.091 ppm2      4.455 CV     1
 ASSI { 1259}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HG3 ))
      1.600     0.300     0.600 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.62343E-01 ppm1      3.091 ppm2      1.542 CV     1
 OR { 1259}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG3 ))
 ASSI { 1260}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.76075E-02 ppm1      3.091 ppm2      1.664 CV     1
 OR { 1260}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1261}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB3 ))
      2.000     2.000     4.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.30273E-01 ppm1      3.091 ppm2      1.739 CV     1
 OR { 1261}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 1263}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     5.200     0.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.11711E-04 ppm1      3.091 ppm2      1.786 CV     1
 ASSI { 1265}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HG3 ))
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.463 ppm2      1.542 CV     1
 ASSI { 1266}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.463 ppm2      1.739 CV     1
 ASSI { 1270}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.100     0.600     0.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.17745E-01 ppm1      1.463 ppm2      3.099 CV     1
 OR { 1270}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD3 ))
 ASSI { 1271}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.100     0.600     0.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.10934E-01 ppm1      1.463 ppm2      8.423 CV     1
 ASSI { 1274}
   (( segid "    " and resid 72   and name HG3 ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     4.500     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      1.743 CV     1
 ASSI { 1275}
   (( segid "    " and resid 72   and name HG3 ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      1.661 CV     1
 ASSI { 1277}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.449 ppm2      1.467 CV     1
 ASSI { 1280}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HG3 ))
      3.200     1.300     1.300 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.42223E-02 ppm1      4.449 ppm2      1.960 CV     1
 OR { 1280}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI { 1286}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     4.500     0.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.664 ppm2      1.738 CV     1
 ASSI { 1288}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.71492E-02 ppm1      1.664 ppm2      4.457 CV     1
 ASSI { 1289}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     3.100     2.900 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.37243E-02 ppm1      1.664 ppm2      8.398 CV     1
 ASSI { 1294}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.735 ppm2      1.789 CV     1
 ASSI { 1297}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.700     2.700     3.300 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.96795E-02 ppm1      1.735 ppm2      2.343 CV     1
 ASSI { 1299}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
      1.900     1.900     4.100 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.44813E-01 ppm1      1.735 ppm2      4.199 CV     1
 ASSI { 1303}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB3 ))
      6.000     4.500     0.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.510 ppm2      1.737 CV     1
 ASSI { 1305}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      4.100     2.100     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.31270E-03 ppm1      1.510 ppm2      4.271 CV     1
 ASSI { 1306}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.14200E-02 ppm1      1.978 ppm2      4.265 CV     1
 OR { 1306}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1307}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.46604E-02 ppm1      1.978 ppm2      1.513 CV     1
 OR { 1307}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 1308}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB3 ))
      2.900     1.000     1.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.25094E-02 ppm1      1.977 ppm2      1.743 CV     1
 OR { 1308}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HB3 ))
 ASSI { 1318}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.900     0.900 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.45609E-02 ppm1      1.745 ppm2      4.448 CV     1
 ASSI { 1319}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
      1.900     1.900     4.100 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.15394E-01 ppm1      1.745 ppm2      4.245 CV     1
 ASSI { 1324}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
      5.700     4.100     0.300 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.33061E-04 ppm1      4.284 ppm2      1.733 CV     1
 ASSI { 1332}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.665 ppm2      1.789 CV     1
 OR { 1332}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1333}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG3 ))
      6.000     4.500     0.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.665 ppm2      1.879 CV     1
 OR { 1333}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI { 1337}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.867 ppm2      1.789 CV     1
 ASSI { 1343}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      1.867 ppm2      4.735 CV     1
 ASSI { 1344}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HA  ))
      4.500     2.500     1.500 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.17446E-03 ppm1      1.665 ppm2      4.744 CV     1
 OR { 1344}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1346}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.99990E-02 ppm1      1.665 ppm2      8.996 CV     1
 OR { 1346}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1351}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.20912E-02 ppm1      2.890 ppm2      9.011 CV     1
 OR { 1351}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1354}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.712 ppm2      9.011 CV     1
 ASSI { 1356}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.712 ppm2     10.072 CV     1
 ASSI { 1361}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB3 ))
      6.000     4.500     0.000 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.712 ppm2      2.887 CV     1
 OR { 1361}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1363}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.900     1.100     1.100 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.26290E-02 ppm1      4.712 ppm2      2.234 CV     1
 ASSI { 1365}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.712 ppm2      1.663 CV     1
 ASSI { 1366}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.712 ppm2      1.800 CV     1
 ASSI { 1368}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.400     0.700     0.700 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.78271E-02 ppm1      5.338 ppm2      2.887 CV     1
 OR { 1368}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1373}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.30671E-02 ppm1      5.338 ppm2      8.754 CV     1
 ASSI { 1374}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 77   and name HA  ))
      5.000     3.100     1.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.93601E-04 ppm1      1.326 ppm2      4.889 CV     1
 ASSI { 1376}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      6.000     6.000     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.23900E-04 ppm1      1.326 ppm2      5.236 CV     1
 ASSI { 1380}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 49   and name HD1%)
      2.600     2.600     3.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.26687E-02 ppm1      1.326 ppm2      0.653 CV     1
 ASSI { 1381}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.326 ppm2      1.680 CV     1
 ASSI { 1386}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
      2.400     0.700     0.700 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.26290E-02 ppm1      1.472 ppm2      1.619 CV     1
 ASSI { 1389}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.499 ppm2      1.453 CV     1
 ASSI { 1390}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      6.000     4.500     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.499 ppm2      1.626 CV     1
 ASSI { 1393}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.100     0.600     0.600 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.12429E-01 ppm1      4.499 ppm2      7.650 CV     1
 ASSI { 1396}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      5.100     3.200     0.900 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.12269E-03 ppm1      4.499 ppm2      8.761 CV     1
 ASSI { 1426}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 19   and name HB% )
      6.000     4.500     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.784 ppm2      1.412 CV     1
 ASSI { 1451}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 78   and name HD2%)
      6.000     4.500     0.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      0.958 CV     1
 ASSI { 1453}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
      1.600     0.300     0.600 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.70712E-01 ppm1      1.472 ppm2      0.910 CV     1
 ASSI { 1454}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD2%)
      1.900     0.500     0.500 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.42820E-01 ppm1      1.472 ppm2      0.953 CV     1
 ASSI { 1456}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 78   and name HD2%)
      1.900     0.500     0.500 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.34058E-01 ppm1      1.618 ppm2      0.953 CV     1
 ASSI { 1457}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     6.000     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19458E-05 ppm1      4.499 ppm2      0.907 CV     1
 ASSI { 1458}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     6.000     0.000 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.47400E-06 ppm1      4.499 ppm2      0.954 CV     1
 ASSI { 1460}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
      3.000     1.100     1.100 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.44414E-02 ppm1      1.618 ppm2      0.843 CV     1
 ASSI { 1461}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
      6.000     6.000     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.62536E-05 ppm1      1.472 ppm2      0.843 CV     1
 ASSI { 1462}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 46   and name HG2%)
      6.000     4.500     0.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      0.844 CV     1
 ASSI { 1463}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.20714E-02 ppm1      1.425 ppm2      4.514 CV     1
 ASSI { 1464}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      5.700     4.000     0.300 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.16869E-03 ppm1      1.425 ppm2      4.884 CV     1
 ASSI { 1466}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HB3 ))
      6.000     4.500     0.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      1.625 CV     1
 ASSI { 1467}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      1.455 CV     1
 ASSI { 1471}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      5.200     3.400     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.42223E-04 ppm1      0.954 ppm2      1.281 CV     1
 ASSI { 1474}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      7.659 CV     1
 ASSI { 1479}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 15   and name HA1 ))
      2.500     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.55368E-02 ppm1      0.910 ppm2      3.609 CV     1
 ASSI { 1481}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB3 ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      1.622 CV     1
 ASSI { 1483}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      1.796 CV     1
 ASSI { 1484}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 11   and name HB3 ))
      6.000     4.500     0.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      1.936 CV     1
 ASSI { 1495}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.800     1.800     1.800 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.22506E-02 ppm1      4.513 ppm2      2.132 CV     1
 ASSI { 1498}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      1.915 CV     1
 ASSI { 1499}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      1.701 CV     1
 ASSI { 1500}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.900     1.000     1.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.45211E-02 ppm1      4.512 ppm2      0.847 CV     1
 ASSI { 1504}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      2.500     0.800     0.800 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.20315E-02 ppm1      1.714 ppm2      1.902 CV     1
 ASSI { 1509}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG3 ))
      3.300     1.300     1.300 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.14222E-02 ppm1      4.197 ppm2      2.115 CV     1
 ASSI { 1511}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     4.500     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.433 ppm2      2.114 CV     1
 ASSI { 1514}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      2.000     0.500     0.500 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.14738E-01 ppm1      2.433 ppm2      4.214 CV     1
 ASSI { 1516}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 31   and name HD3 ))
      3.200     1.300     1.300 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.68906E-02 ppm1      2.433 ppm2      3.743 CV     1
 ASSI { 1519}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.879 ppm2      2.445 CV     1
 ASSI { 1521}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HG3 ))
      6.000     4.500     0.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      1.787 CV     1
 ASSI { 1526}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HG3 ))
      6.000     4.500     0.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.187 ppm2      1.814 CV     1
 OR { 1526}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1528}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
      6.000     4.500     0.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.027 ppm2      1.736 CV     1
 ASSI { 1530}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.027 ppm2      2.267 CV     1
 ASSI { 1531}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.027 ppm2      2.571 CV     1
 ASSI { 1545}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 49   and name HB  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.665 ppm2      1.620 CV     1
 OR { 1545}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 49   and name HB  ))
 ASSI { 1547}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 47   and name HG1%)
      5.400     3.600     0.600 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.84058E-04 ppm1      1.326 ppm2      0.757 CV     1
 ASSI { 1551}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      4.000     2.000     2.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.40232E-03 ppm1      3.912 ppm2      1.961 CV     1
 OR { 1551}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1553}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.400     3.600     0.600 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.71300E-04 ppm1      3.912 ppm2      1.738 CV     1
 ASSI { 1555}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      3.967 CV     1
 ASSI { 1556}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.13941E-01 ppm1      3.912 ppm2      7.738 CV     1
 ASSI { 1557}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG3 ))
      6.000     4.500     0.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      2.687 CV     1
 ASSI { 1560}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      5.500     3.800     0.500 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.24496E-03 ppm1      3.957 ppm2      1.744 CV     1
 ASSI { 1561}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      3.100     3.100     2.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.96398E-03 ppm1      3.957 ppm2      1.784 CV     1
 ASSI { 1563}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.41426E-02 ppm1      2.689 ppm2      1.744 CV     1
 ASSI { 1565}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.800     2.900     1.200 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.99990E-04 ppm1      1.549 ppm2      0.825 CV     1
 ASSI { 1566}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      2.200     0.600     0.600 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.19637E-01 ppm1      1.549 ppm2      0.885 CV     1
 ASSI { 1567}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG  ))
      3.500     1.500     1.500 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.14261E-02 ppm1      1.549 ppm2      1.784 CV     1
 ASSI { 1568}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 4    and name HD2%)
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.833 ppm2      0.882 CV     1
 ASSI { 1570}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.891 ppm2      3.916 CV     1
 ASSI { 1571}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB3 ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      1.746 CV     1
 ASSI { 1575}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 32   and name HD1%)
      3.300     1.300     1.300 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      0.432 ppm2      0.813 CV     1
 ASSI { 1580}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      4.000     2.000     2.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.58555E-03 ppm1      4.021 ppm2      2.034 CV     1
 ASSI { 1581}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.44215E-02 ppm1      4.021 ppm2      1.923 CV     1
 ASSI { 1582}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.100     2.100     3.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.35850E-01 ppm1      4.021 ppm2      1.983 CV     1
 OR { 1582}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 1584}
   (  segid "    " and resid 7    and name HG1%)
   (  segid "    " and resid 11   and name HD2%)
      3.900     1.900     1.900 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.63332E-03 ppm1      0.639 ppm2      0.880 CV     1
 ASSI { 1585}
   (  segid "    " and resid 7    and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     5.300     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.33061E-04 ppm1      0.639 ppm2      0.733 CV     1
 ASSI { 1587}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 36   and name HB3 ))
      6.000     4.500     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.798 ppm2      2.167 CV     1
 ASSI { 1590}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 48   and name HB3 ))
      6.000     5.800     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.40631E-04 ppm1      0.032 ppm2      0.870 CV     1
 ASSI { 1592}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     3.300     2.700 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.22904E-02 ppm1      1.234 ppm2      0.814 CV     1
 ASSI { 1593}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      0.722 ppm2      0.807 CV     1
 ASSI { 1594}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 7    and name HG2%)
      2.800     2.800     3.200 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.85235E-02 ppm1      1.528 ppm2      0.809 CV     1
 ASSI { 1599}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 46   and name HG1%)
      3.400     1.400     1.400 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.18981E-02 ppm1      1.211 ppm2      0.806 CV     1
 ASSI { 1601}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
      2.600     0.900     0.900 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.20714E-02 ppm1      1.211 ppm2      1.722 CV     1
 ASSI { 1602}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
      3.800     1.800     1.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.89825E-03 ppm1      1.211 ppm2      3.036 CV     1
 OR { 1602}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD3 ))
 ASSI { 1603}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.75077E-03 ppm1      1.211 ppm2      4.182 CV     1
 ASSI { 1604}
   (( segid "    " and resid 79   and name HD3 ))
   (( segid "    " and resid 79   and name HG3 ))
      2.000     0.500     0.500 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.28679E-01 ppm1      3.030 ppm2      1.418 CV     1
 OR { 1604}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HG2 ))
 OR { 1604}
   (( segid "    " and resid 79   and name HD3 ))
   (( segid "    " and resid 79   and name HG2 ))
 OR { 1604}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI { 1605}
   (( segid "    " and resid 79   and name HD3 ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     4.500     0.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.030 ppm2      0.810 CV     1
 ASSI { 1608}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.12767E-02 ppm1      1.417 ppm2      4.186 CV     1
 OR { 1608}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1609}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB3 ))
      6.000     4.500     0.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.417 ppm2      1.722 CV     1
 OR { 1609}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI { 1612}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.31469E-02 ppm1      1.417 ppm2      1.211 CV     1
 OR { 1612}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1613}
   (( segid "    " and resid 79   and name HG3 ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     6.000     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.10755E-04 ppm1      1.417 ppm2      0.803 CV     1
 ASSI { 1614}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
      1.800     1.800     4.200 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.23303E-01 ppm1      1.417 ppm2      0.843 CV     1
 OR { 1614}
   (( segid "    " and resid 79   and name HG3 ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1615}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
      4.200     2.200     1.800 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.34454E-03 ppm1      1.417 ppm2      7.646 CV     1
 OR { 1615}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1624}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      1.984 CV     1
 OR { 1624}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 73   and name HG3 ))
 ASSI { 1625}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      1.676 CV     1
 ASSI { 1626}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      1.302 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -10.425  -5.381 -12.517
    2    H2   MET   1           H2       MET   1 -11.143  -6.761 -13.180
    3    H3   MET   1           H3       MET   1 -10.530  -5.556 -14.197
    4    HA   MET   1           HA       MET   1  -9.050  -7.441 -14.139
    5    HB2  MET   1           HB3      MET   1  -7.960  -5.022 -12.685
    6    HG2  MET   1           HG3      MET   1  -8.969  -4.353 -14.775
    7    HE1  MET   1           HE1      MET   1  -6.442  -7.585 -16.887
    8    HE2  MET   1           HE2      MET   1  -5.744  -6.229 -16.001
    9    HE3  MET   1           HE3      MET   1  -6.625  -7.488 -15.136
   10    H    ALA   2           H        ALA   2  -8.978  -5.839 -10.947
   11    HA   ALA   2           HA       ALA   2  -8.962  -8.457  -9.663
   12    HB1  ALA   2           HB1      ALA   2  -6.810  -6.414  -9.124
   13    HB2  ALA   2           HB2      ALA   2  -7.007  -7.967  -8.312
   14    HB3  ALA   2           HB3      ALA   2  -6.593  -7.914 -10.027
   15    H    SER   3           H        SER   3 -10.655  -8.300  -8.345
   16    HA   SER   3           HA       SER   3 -11.269  -5.761  -7.046
   17    HB2  SER   3           HB3      SER   3 -13.386  -6.849  -6.399
   18    HG   SER   3           HG       SER   3 -12.702  -9.082  -7.950
   19    H    LEU   4           H        LEU   4 -12.100  -5.977  -4.713
   20    HA   LEU   4           HA       LEU   4  -9.953  -6.842  -3.098
   21    HB2  LEU   4           HB3      LEU   4 -11.400  -6.241  -1.198
   22    HG   LEU   4           HG       LEU   4 -13.529  -5.939  -3.300
   23   HD11  LEU   4          HD11      LEU   4 -13.338  -7.276  -0.617
   24   HD12  LEU   4          HD12      LEU   4 -14.884  -6.942  -1.400
   25   HD13  LEU   4          HD13      LEU   4 -13.710  -7.998  -2.181
   26   HD21  LEU   4          HD21      LEU   4 -13.429  -4.577  -0.613
   27   HD22  LEU   4          HD22      LEU   4 -13.314  -3.782  -2.181
   28   HD23  LEU   4          HD23      LEU   4 -14.807  -4.595  -1.714
   29    H    MET   5           H        MET   5 -12.617  -8.541  -4.380
   30    HA   MET   5           HA       MET   5 -13.181 -10.402  -2.393
   31    HB2  MET   5           HB3      MET   5 -13.125 -10.852  -5.384
   32    HG2  MET   5           HG3      MET   5 -15.358  -9.928  -3.590
   33    HE1  MET   5           HE1      MET   5 -15.671 -11.151  -8.031
   34    HE2  MET   5           HE2      MET   5 -14.758  -9.743  -7.489
   35    HE3  MET   5           HE3      MET   5 -14.220 -11.364  -7.051
   36    H    GLU   6           H        GLU   6 -10.434 -10.108  -4.494
   37    HA   GLU   6           HA       GLU   6  -9.438 -12.729  -4.358
   38    HB2  GLU   6           HB3      GLU   6  -7.936 -10.120  -4.599
   39    HG2  GLU   6           HG3      GLU   6  -9.513 -10.401  -6.424
   40    H    VAL   7           H        VAL   7  -8.269  -9.887  -2.538
   41    HA   VAL   7           HA       VAL   7  -6.716 -11.324  -0.713
   42    HB   VAL   7           HB       VAL   7  -8.086  -8.665  -0.272
   43   HG11  VAL   7          HG11      VAL   7  -5.724  -9.914   1.132
   44   HG12  VAL   7          HG12      VAL   7  -6.321  -8.274   1.388
   45   HG13  VAL   7          HG13      VAL   7  -7.328  -9.656   1.818
   46   HG21  VAL   7          HG21      VAL   7  -5.959  -7.684  -0.988
   47   HG22  VAL   7          HG22      VAL   7  -5.332  -9.296  -1.328
   48   HG23  VAL   7          HG23      VAL   7  -6.683  -8.660  -2.266
   49    H    ARG   8           H        ARG   8 -10.118 -10.612  -0.794
   50    HA   ARG   8           HA       ARG   8 -10.832 -11.065   1.852
   51    HB2  ARG   8           HB3      ARG   8 -12.433 -10.187   0.296
   52    HG2  ARG   8           HG3      ARG   8 -13.332 -12.953   1.078
   53    HD2  ARG   8           HD3      ARG   8 -14.910 -10.469   0.415
   54    HE   ARG   8           HE       ARG   8 -15.707 -12.670   1.943
   55   HH11  ARG   8          HH12      ARG   8 -16.766 -10.836  -0.823
   56   HH12  ARG   8          HH11      ARG   8 -18.446 -11.163  -0.560
   57   HH21  ARG   8          HH21      ARG   8 -17.919 -13.109   2.297
   58   HH22  ARG   8          HH22      ARG   8 -19.102 -12.457   1.212
   59    H    ASP   9           H        ASP   9 -10.798 -13.413  -0.838
   60    HA   ASP   9           HA       ASP   9 -11.395 -15.653   0.766
   61    HB2  ASP   9           HB3      ASP   9 -10.578 -16.984  -1.173
   62    H    MET  10           H        MET  10  -8.302 -14.413  -0.480
   63    HA   MET  10           HA       MET  10  -6.590 -16.344   0.482
   64    HB2  MET  10           HB3      MET  10  -6.107 -13.360   0.406
   65    HG2  MET  10           HG3      MET  10  -6.738 -14.185  -1.787
   66    HE1  MET  10           HE1      MET  10  -6.397 -15.612  -4.051
   67    HE2  MET  10           HE2      MET  10  -4.740 -15.011  -4.009
   68    HE3  MET  10           HE3      MET  10  -5.048 -16.729  -4.252
   69    H    LEU  11           H        LEU  11  -7.760 -13.452   2.187
   70    HA   LEU  11           HA       LEU  11  -6.438 -14.133   4.631
   71    HB2  LEU  11           HB3      LEU  11  -8.436 -12.065   3.804
   72    HG   LEU  11           HG       LEU  11  -6.826 -10.456   4.432
   73   HD11  LEU  11          HD11      LEU  11  -5.255 -12.695   5.702
   74   HD12  LEU  11          HD12      LEU  11  -4.750 -11.008   5.599
   75   HD13  LEU  11          HD13      LEU  11  -6.164 -11.450   6.556
   76   HD21  LEU  11          HD21      LEU  11  -4.802 -11.131   3.176
   77   HD22  LEU  11          HD22      LEU  11  -5.427 -12.778   3.114
   78   HD23  LEU  11          HD23      LEU  11  -6.300 -11.473   2.314
   79    H    ALA  12           H        ALA  12  -9.486 -14.889   3.182
   80    HA   ALA  12           HA       ALA  12 -10.909 -15.566   5.537
   81    HB1  ALA  12           HB1      ALA  12 -11.316 -16.590   2.732
   82    HB2  ALA  12           HB2      ALA  12 -12.477 -16.680   4.055
   83    HB3  ALA  12           HB3      ALA  12 -12.015 -15.111   3.395
   84    H    LEU  13           H        LEU  13  -8.522 -17.203   3.648
   85    HA   LEU  13           HA       LEU  13  -9.037 -19.715   5.084
   86    HB2  LEU  13           HB3      LEU  13  -7.321 -19.191   2.657
   87    HG   LEU  13           HG       LEU  13  -9.843 -19.101   2.281
   88   HD11  LEU  13          HD11      LEU  13  -8.218 -21.217   0.883
   89   HD12  LEU  13          HD12      LEU  13  -9.704 -20.491   0.272
   90   HD13  LEU  13          HD13      LEU  13  -8.262 -19.500   0.486
   91   HD21  LEU  13          HD21      LEU  13 -10.981 -21.273   2.208
   92   HD22  LEU  13          HD22      LEU  13  -9.560 -22.033   2.926
   93   HD23  LEU  13          HD23      LEU  13 -10.484 -20.846   3.845
   94    H    GLN  14           H        GLN  14  -6.720 -17.160   4.637
   95    HA   GLN  14           HA       GLN  14  -4.631 -18.577   6.071
   96    HB2  GLN  14           HB3      GLN  14  -4.746 -15.761   4.977
   97    HG2  GLN  14           HG3      GLN  14  -3.201 -18.148   3.993
   98   HE21  GLN  14          HE22      GLN  14  -3.591 -17.095   1.315
   99   HE22  GLN  14          HE21      GLN  14  -2.485 -15.778   1.146
  100    H    GLY  15           H        GLY  15  -6.028 -15.321   6.530
  101    HA2  GLY  15           HA2      GLY  15  -7.231 -14.934   8.677
  102    HA3  GLY  15           HA3      GLY  15  -5.929 -15.833   9.441
  103    H    ARG  16           H        ARG  16  -4.435 -14.634  10.406
  104    HA   ARG  16           HA       ARG  16  -4.386 -11.799  10.090
  105    HB2  ARG  16           HB3      ARG  16  -2.606 -13.704  11.609
  106    HG2  ARG  16           HG3      ARG  16  -3.577 -12.498  13.580
  107    HD2  ARG  16           HD3      ARG  16  -5.652 -13.748  13.608
  108    HE   ARG  16           HE       ARG  16  -3.224 -14.996  12.937
  109   HH11  ARG  16          HH12      ARG  16  -6.645 -15.644  13.047
  110   HH12  ARG  16          HH11      ARG  16  -6.445 -17.342  13.323
  111   HH21  ARG  16          HH21      ARG  16  -2.950 -17.231  13.299
  112   HH22  ARG  16          HH22      ARG  16  -4.346 -18.244  13.465
  113    H    MET  17           H        MET  17  -3.711 -11.061   8.159
  114    HA   MET  17           HA       MET  17  -0.919 -11.432   7.483
  115    HB2  MET  17           HB3      MET  17  -3.167 -12.423   5.771
  116    HG2  MET  17           HG3      MET  17  -1.778 -13.998   7.111
  117    HE1  MET  17           HE1      MET  17   0.383 -15.637   7.259
  118    HE2  MET  17           HE2      MET  17   0.327 -15.833   5.507
  119    HE3  MET  17           HE3      MET  17   1.838 -15.382   6.297
  120    H    GLU  18           H        GLU  18  -0.348 -10.051   5.519
  121    HA   GLU  18           HA       GLU  18  -1.904  -7.551   5.638
  122    HB2  GLU  18           HB3      GLU  18   0.244  -6.418   5.037
  123    HG2  GLU  18           HG3      GLU  18   1.471  -9.100   5.635
  124    H    ALA  19           H        ALA  19  -2.342  -6.438   3.745
  125    HA   ALA  19           HA       ALA  19  -2.442  -8.071   1.374
  126    HB1  ALA  19           HB1      ALA  19  -4.326  -6.645   1.986
  127    HB2  ALA  19           HB2      ALA  19  -3.313  -5.215   1.800
  128    HB3  ALA  19           HB3      ALA  19  -3.692  -6.217   0.398
  129    H    LYS  20           H        LYS  20  -0.511  -5.414   2.562
  130    HA   LYS  20           HA       LYS  20   0.565  -4.442   0.191
  131    HB2  LYS  20           HB3      LYS  20   2.456  -3.672   1.518
  132    HG2  LYS  20           HG3      LYS  20   1.374  -5.332   3.784
  133    HD2  LYS  20           HD3      LYS  20   2.376  -3.205   4.477
  134    HE2  LYS  20           HE3      LYS  20   4.794  -4.208   2.979
  135    HZ1  LYS  20           HZ1      LYS  20   5.838  -2.167   3.747
  136    HZ2  LYS  20           HZ2      LYS  20   5.430  -3.162   5.054
  137    HZ3  LYS  20           HZ3      LYS  20   4.487  -1.805   4.695
  138    H    GLN  21           H        GLN  21   1.297  -7.347   1.986
  139    HA   GLN  21           HA       GLN  21   3.748  -8.011   0.802
  140    HB2  GLN  21           HB3      GLN  21   2.775  -9.100   2.820
  141    HG2  GLN  21           HG3      GLN  21   3.434 -11.394   2.349
  142   HE21  GLN  21          HE22      GLN  21   5.054 -10.523   3.648
  143   HE22  GLN  21          HE21      GLN  21   6.527  -9.909   2.985
  144    H    LEU  22           H        LEU  22   0.436  -8.963  -0.082
  145    HA   LEU  22           HA       LEU  22   1.158 -10.494  -2.339
  146    HB2  LEU  22           HB3      LEU  22  -1.431  -9.028  -1.821
  147    HG   LEU  22           HG       LEU  22  -1.056 -10.545   0.033
  148   HD11  LEU  22          HD11      LEU  22  -2.981 -11.692  -1.983
  149   HD12  LEU  22          HD12      LEU  22  -2.994 -12.012  -0.250
  150   HD13  LEU  22          HD13      LEU  22  -3.319 -10.385  -0.848
  151   HD21  LEU  22          HD21      LEU  22   0.618 -11.985  -1.005
  152   HD22  LEU  22          HD22      LEU  22  -0.704 -12.937  -0.328
  153   HD23  LEU  22          HD23      LEU  22  -0.613 -12.663  -2.069
  154    H    SER  23           H        SER  23  -0.105  -7.173  -2.094
  155    HA   SER  23           HA       SER  23  -0.056  -6.501  -4.775
  156    HB2  SER  23           HB3      SER  23   0.079  -4.158  -4.032
  157    HG   SER  23           HG       SER  23   0.961  -5.378  -1.664
  158    H    ALA  24           H        ALA  24   2.559  -6.359  -2.400
  159    HA   ALA  24           HA       ALA  24   4.460  -5.058  -4.003
  160    HB1  ALA  24           HB1      ALA  24   4.718  -5.305  -1.589
  161    HB2  ALA  24           HB2      ALA  24   4.918  -7.046  -1.779
  162    HB3  ALA  24           HB3      ALA  24   6.124  -5.943  -2.443
  163    H    ARG  25           H        ARG  25   3.839  -8.518  -3.485
  164    HA   ARG  25           HA       ARG  25   5.903  -9.513  -5.083
  165    HB2  ARG  25           HB3      ARG  25   3.191 -10.679  -4.445
  166    HG2  ARG  25           HG3      ARG  25   5.914 -11.243  -3.291
  167    HD2  ARG  25           HD3      ARG  25   4.736 -12.747  -1.776
  168    HE   ARG  25           HE       ARG  25   4.993 -13.341  -4.533
  169   HH11  ARG  25          HH12      ARG  25   3.609 -14.543  -1.573
  170   HH12  ARG  25          HH11      ARG  25   3.658 -16.202  -2.070
  171   HH21  ARG  25          HH21      ARG  25   5.064 -15.524  -5.199
  172   HH22  ARG  25          HH22      ARG  25   4.486 -16.759  -4.131
  173    H    LEU  26           H        LEU  26   3.027  -7.889  -5.987
  174    HA   LEU  26           HA       LEU  26   3.383  -8.770  -8.774
  175    HB2  LEU  26           HB3      LEU  26   0.893  -7.666  -7.478
  176    HG   LEU  26           HG       LEU  26   1.240  -9.954  -6.704
  177   HD11  LEU  26          HD11      LEU  26  -0.830 -10.933  -7.523
  178   HD12  LEU  26          HD12      LEU  26  -1.033  -9.211  -7.208
  179   HD13  LEU  26          HD13      LEU  26  -0.854  -9.788  -8.865
  180   HD21  LEU  26          HD21      LEU  26   2.739 -10.702  -8.486
  181   HD22  LEU  26          HD22      LEU  26   1.382 -11.808  -8.279
  182   HD23  LEU  26          HD23      LEU  26   1.394 -10.673  -9.629
  183    H    GLN  27           H        GLN  27   4.336  -6.351  -6.909
  184    HA   GLN  27           HA       GLN  27   4.954  -4.192  -7.246
  185    HB2  GLN  27           HB3      GLN  27   4.405  -4.828 -10.151
  186    HG2  GLN  27           HG3      GLN  27   6.985  -4.984  -8.610
  187   HE21  GLN  27          HE22      GLN  27   8.138  -3.701 -10.037
  188   HE22  GLN  27          HE21      GLN  27   8.472  -4.193 -11.659
  189    H    THR  28           H        THR  28   2.027  -5.009  -7.003
  190    HA   THR  28           HA       THR  28   0.534  -3.047  -8.450
  191    HB   THR  28           HB       THR  28  -0.256  -4.646  -6.004
  192    HG1  THR  28           HG1      THR  28  -0.940  -6.164  -7.409
  193   HG21  THR  28          HG21      THR  28  -2.551  -4.155  -6.654
  194   HG22  THR  28          HG22      THR  28  -1.979  -3.197  -8.019
  195   HG23  THR  28          HG23      THR  28  -1.663  -2.657  -6.369
  196    HA   PRO  29           HA       PRO  29   1.285   0.650  -6.128
  197    HB2  PRO  29           HB3      PRO  29  -1.691   0.904  -6.323
  198    HG2  PRO  29           HG3      PRO  29  -1.664   0.843  -8.650
  199    HD2  PRO  29           HD3      PRO  29  -1.300  -1.389  -8.274
  200    H    GLN  30           H        GLN  30   1.565   0.845  -3.999
  201    HA   GLN  30           HA       GLN  30   0.135  -0.846  -2.176
  202    HB2  GLN  30           HB3      GLN  30   2.200   1.296  -1.652
  203    HG2  GLN  30           HG3      GLN  30   2.503  -1.695  -1.644
  204   HE21  GLN  30          HE22      GLN  30   4.581  -2.427  -1.228
  205   HE22  GLN  30          HE21      GLN  30   5.761  -1.446  -0.433
  206    HA   PRO  31           HA       PRO  31  -1.308   3.679  -0.662
  207    HB2  PRO  31           HB3      PRO  31  -1.750   4.644  -3.453
  208    HG2  PRO  31           HG3      PRO  31   0.517   4.972  -3.870
  209    HD2  PRO  31           HD3      PRO  31   0.424   2.679  -4.052
  210    H    LEU  32           H        LEU  32  -2.328   1.929  -3.537
  211    HA   LEU  32           HA       LEU  32  -5.105   2.511  -3.257
  212    HB2  LEU  32           HB3      LEU  32  -4.070   1.868  -5.399
  213    HG   LEU  32           HG       LEU  32  -5.726   0.443  -6.288
  214   HD11  LEU  32          HD11      LEU  32  -6.565  -0.525  -3.585
  215   HD12  LEU  32          HD12      LEU  32  -6.884  -1.223  -5.170
  216   HD13  LEU  32          HD13      LEU  32  -5.269  -1.328  -4.470
  217   HD21  LEU  32          HD21      LEU  32  -7.810   1.285  -5.307
  218   HD22  LEU  32          HD22      LEU  32  -6.909   1.856  -3.901
  219   HD23  LEU  32          HD23      LEU  32  -6.607   2.564  -5.488
  220    H    ILE  33           H        ILE  33  -3.041  -0.225  -2.361
  221    HA   ILE  33           HA       ILE  33  -4.896  -2.045  -1.482
  222    HB   ILE  33           HB       ILE  33  -2.265  -1.415  -0.139
  223   HG12  ILE  33          HG13      ILE  33  -2.037  -1.879  -2.540
  224   HG21  ILE  33          HG21      ILE  33  -3.947  -3.918  -0.070
  225   HG22  ILE  33          HG22      ILE  33  -2.350  -3.730   0.654
  226   HG23  ILE  33          HG23      ILE  33  -3.711  -2.787   1.262
  227   HD11  ILE  33          HD11      ILE  33  -4.074  -3.231  -2.855
  228   HD12  ILE  33          HD12      ILE  33  -2.624  -3.993  -3.507
  229   HD13  ILE  33          HD13      ILE  33  -3.299  -4.547  -1.975
  230    H    ASP  34           H        ASP  34  -3.618   0.754   0.279
  231    HA   ASP  34           HA       ASP  34  -4.687   0.335   2.777
  232    HB2  ASP  34           HB3      ASP  34  -3.234   2.232   2.272
  233    H    ALA  35           H        ALA  35  -6.273   1.644  -0.091
  234    HA   ALA  35           HA       ALA  35  -8.781   2.061   1.272
  235    HB1  ALA  35           HB1      ALA  35  -8.152   2.114  -1.678
  236    HB2  ALA  35           HB2      ALA  35  -9.634   2.694  -0.919
  237    HB3  ALA  35           HB3      ALA  35  -8.101   3.502  -0.592
  238    H    MET  36           H        MET  36  -7.243  -0.460  -0.537
  239    HA   MET  36           HA       MET  36  -9.458  -1.937  -1.386
  240    HB2  MET  36           HB3      MET  36  -7.052  -2.330  -2.014
  241    HG2  MET  36           HG3      MET  36  -8.429  -4.794  -0.973
  242    HE1  MET  36           HE1      MET  36  -8.272  -6.221  -3.883
  243    HE2  MET  36           HE2      MET  36  -6.839  -7.226  -3.669
  244    HE3  MET  36           HE3      MET  36  -8.026  -7.093  -2.372
  245    H    LEU  37           H        LEU  37  -7.494  -2.381   1.552
  246    HA   LEU  37           HA       LEU  37  -9.341  -4.227   2.706
  247    HB2  LEU  37           HB3      LEU  37  -6.959  -2.738   3.786
  248    HG   LEU  37           HG       LEU  37  -7.320  -5.719   3.542
  249   HD11  LEU  37          HD11      LEU  37  -5.963  -3.842   1.619
  250   HD12  LEU  37          HD12      LEU  37  -5.902  -5.602   1.554
  251   HD13  LEU  37          HD13      LEU  37  -7.435  -4.763   1.314
  252   HD21  LEU  37          HD21      LEU  37  -5.665  -4.800   5.175
  253   HD22  LEU  37          HD22      LEU  37  -4.961  -5.811   3.913
  254   HD23  LEU  37          HD23      LEU  37  -4.824  -4.055   3.819
  255    H    GLU  38           H        GLU  38  -8.558  -0.804   3.275
  256    HA   GLU  38           HA       GLU  38 -10.249  -0.287   5.398
  257    HB2  GLU  38           HB3      GLU  38  -8.661   1.361   4.506
  258    HG2  GLU  38           HG3      GLU  38 -11.468   2.435   4.353
  259    H    ARG  39           H        ARG  39 -10.975  -0.232   1.931
  260    HA   ARG  39           HA       ARG  39 -13.693   0.504   2.223
  261    HB2  ARG  39           HB3      ARG  39 -12.412   0.776   0.121
  262    HG2  ARG  39           HG3      ARG  39 -14.748  -1.067  -0.326
  263    HD2  ARG  39           HD3      ARG  39 -13.562   1.169  -1.964
  264    HE   ARG  39           HE       ARG  39 -16.149  -0.057  -2.154
  265   HH11  ARG  39          HH12      ARG  39 -13.550   1.420  -3.941
  266   HH12  ARG  39          HH11      ARG  39 -14.559   1.904  -5.263
  267   HH21  ARG  39          HH21      ARG  39 -17.489   0.576  -3.890
  268   HH22  ARG  39          HH22      ARG  39 -16.798   1.425  -5.233
  269    H    MET  40           H        MET  40 -12.008  -2.586   2.078
  270    HA   MET  40           HA       MET  40 -14.277  -4.239   1.845
  271    HB2  MET  40           HB3      MET  40 -12.026  -5.080   1.427
  272    HG2  MET  40           HG3      MET  40 -13.320  -6.460   3.767
  273    HE1  MET  40           HE1      MET  40 -11.685  -7.740   0.413
  274    HE2  MET  40           HE2      MET  40 -10.585  -6.477   0.965
  275    HE3  MET  40           HE3      MET  40 -10.066  -8.163   0.973
  276    H    GLU  41           H        GLU  41 -12.428  -3.204   4.706
  277    HA   GLU  41           HA       GLU  41 -14.271  -4.431   6.530
  278    HB2  GLU  41           HB3      GLU  41 -11.919  -4.181   7.131
  279    HG2  GLU  41           HG3      GLU  41 -13.763  -2.531   8.838
  280    H    ALA  42           H        ALA  42 -14.177  -1.461   4.838
  281    HA   ALA  42           HA       ALA  42 -15.325   0.366   6.530
  282    HB1  ALA  42           HB1      ALA  42 -14.585   0.887   4.255
  283    HB2  ALA  42           HB2      ALA  42 -15.963  -0.002   3.605
  284    HB3  ALA  42           HB3      ALA  42 -16.226   1.464   4.551
  285    H    MET  43           H        MET  43 -16.787  -2.459   5.130
  286    HA   MET  43           HA       MET  43 -19.484  -1.592   5.758
  287    HB2  MET  43           HB3      MET  43 -20.212  -3.678   4.817
  288    HG2  MET  43           HG3      MET  43 -17.322  -4.509   4.708
  289    HE1  MET  43           HE1      MET  43 -18.671  -5.626   1.198
  290    HE2  MET  43           HE2      MET  43 -19.095  -4.125   2.020
  291    HE3  MET  43           HE3      MET  43 -17.433  -4.716   2.064
  292    H    GLY  44           H        GLY  44 -16.941  -3.475   7.178
  293    HA2  GLY  44           HA2      GLY  44 -17.067  -3.642   9.640
  294    HA3  GLY  44           HA3      GLY  44 -18.747  -4.125   9.428
  295    H    LYS  45           H        LYS  45 -15.553  -5.130   8.173
  296    HA   LYS  45           HA       LYS  45 -16.395  -7.872   8.028
  297    HB2  LYS  45           HB3      LYS  45 -13.905  -6.369   7.380
  298    HG2  LYS  45           HG3      LYS  45 -15.627  -6.773   5.659
  299    HD2  LYS  45           HD3      LYS  45 -14.897  -9.664   6.116
  300    HE2  LYS  45           HE3      LYS  45 -15.078  -9.148   3.727
  301    HZ1  LYS  45           HZ1      LYS  45 -16.542  -7.232   3.858
  302    HZ2  LYS  45           HZ2      LYS  45 -17.815  -8.212   4.392
  303    HZ3  LYS  45           HZ3      LYS  45 -17.192  -8.410   2.832
  304    H    VAL  46           H        VAL  46 -13.382  -6.755   9.544
  305    HA   VAL  46           HA       VAL  46 -14.182  -7.832  12.102
  306    HB   VAL  46           HB       VAL  46 -11.872  -9.103  10.631
  307   HG11  VAL  46          HG11      VAL  46 -12.941  -9.395  13.420
  308   HG12  VAL  46          HG12      VAL  46 -11.990 -10.660  12.646
  309   HG13  VAL  46          HG13      VAL  46 -11.288  -9.064  12.900
  310   HG21  VAL  46          HG21      VAL  46 -13.251 -11.154  10.753
  311   HG22  VAL  46          HG22      VAL  46 -14.588 -10.183  11.369
  312   HG23  VAL  46          HG23      VAL  46 -13.968  -9.898   9.743
  313    H    VAL  47           H        VAL  47 -10.890  -7.480  10.763
  314    HA   VAL  47           HA       VAL  47 -10.562  -4.984  12.231
  315    HB   VAL  47           HB       VAL  47  -8.825  -7.397  12.777
  316   HG11  VAL  47          HG11      VAL  47  -8.630  -4.568  13.808
  317   HG12  VAL  47          HG12      VAL  47  -7.677  -5.932  14.392
  318   HG13  VAL  47          HG13      VAL  47  -7.490  -5.373  12.730
  319   HG21  VAL  47          HG21      VAL  47 -11.022  -7.433  13.903
  320   HG22  VAL  47          HG22      VAL  47  -9.680  -7.277  15.037
  321   HG23  VAL  47          HG23      VAL  47 -10.654  -5.866  14.623
  322    H    ARG  48           H        ARG  48  -8.726  -3.773  11.625
  323    HA   ARG  48           HA       ARG  48  -7.086  -4.756   9.427
  324    HB2  ARG  48           HB3      ARG  48  -7.601  -2.915   7.958
  325    HG2  ARG  48           HG3      ARG  48  -9.568  -1.979  10.033
  326    HD2  ARG  48           HD3      ARG  48  -8.850  -0.827   7.343
  327    HE   ARG  48           HE       ARG  48 -11.132   0.191   8.772
  328   HH11  ARG  48          HH12      ARG  48  -7.722   0.540   8.162
  329   HH12  ARG  48          HH11      ARG  48  -7.680   2.211   8.617
  330   HH21  ARG  48          HH21      ARG  48 -11.088   2.391   9.372
  331   HH22  ARG  48          HH22      ARG  48  -9.594   3.263   9.305
  332    H    ILE  49           H        ILE  49  -5.057  -3.904   9.445
  333    HA   ILE  49           HA       ILE  49  -4.526  -1.794  11.435
  334    HB   ILE  49           HB       ILE  49  -2.653  -3.968  10.489
  335   HG12  ILE  49          HG13      ILE  49  -4.015  -3.614  13.169
  336   HG21  ILE  49          HG21      ILE  49  -2.303  -1.856  12.613
  337   HG22  ILE  49          HG22      ILE  49  -1.173  -3.166  12.270
  338   HG23  ILE  49          HG23      ILE  49  -1.472  -1.921  11.057
  339   HD11  ILE  49          HD11      ILE  49  -2.337  -5.884  12.136
  340   HD12  ILE  49          HD12      ILE  49  -1.859  -4.724  13.376
  341   HD13  ILE  49          HD13      ILE  49  -3.192  -5.838  13.678
  342    H    SER  50           H        SER  50  -4.271   0.088  10.397
  343    HA   SER  50           HA       SER  50  -3.032   0.155   7.764
  344    HB2  SER  50           HB3      SER  50  -3.700   2.533   7.752
  345    HG   SER  50           HG       SER  50  -5.083   3.174   9.554
  346    H    GLU  51           H        GLU  51  -1.051   0.909   7.322
  347    HA   GLU  51           HA       GLU  51   0.450   2.283   9.432
  348    HB2  GLU  51           HB3      GLU  51   1.043  -0.097   9.557
  349    HG2  GLU  51           HG3      GLU  51   3.462   0.024   9.197
  350    H    THR  52           H        THR  52   2.024   3.715   8.703
  351    HA   THR  52           HA       THR  52   2.117   4.128   5.787
  352    HB   THR  52           HB       THR  52   0.743   5.871   6.841
  353    HG1  THR  52           HG1      THR  52   2.170   7.682   6.126
  354   HG21  THR  52          HG21      THR  52   3.248   6.569   8.377
  355   HG22  THR  52          HG22      THR  52   1.800   5.835   9.065
  356   HG23  THR  52          HG23      THR  52   1.729   7.466   8.396
  357    H    SER  53           H        SER  53   4.057   4.967   4.928
  358    HA   SER  53           HA       SER  53   6.365   5.037   6.735
  359    HB2  SER  53           HB3      SER  53   7.689   3.680   5.159
  360    HG   SER  53           HG       SER  53   5.354   2.877   3.847
  361    H    GLU  54           H        GLU  54   7.574   6.782   6.404
  362    HA   GLU  54           HA       GLU  54   7.874   7.888   3.733
  363    HB2  GLU  54           HB3      GLU  54   7.219  10.144   4.393
  364    HG2  GLU  54           HG3      GLU  54   6.284   8.941   6.988
  365    H    GLY  55           H        GLY  55   9.245  10.090   4.078
  366    HA2  GLY  55           HA2      GLY  55  11.126   9.982   6.241
  367    HA3  GLY  55           HA3      GLY  55  11.799   9.370   4.739
  368    H    CYS  56           H        CYS  56   9.581  12.074   5.395
  369    HA   CYS  56           HA       CYS  56  11.624  13.907   4.345
  370    HB2  CYS  56           HB3      CYS  56  10.064  13.439   2.523
  371    HG   CYS  56           HG       CYS  56   9.085  15.935   1.728
  372    H    LEU  57           H        LEU  57   8.275  14.119   5.562
  373    HA   LEU  57           HA       LEU  57   8.834  16.512   7.020
  374    HB2  LEU  57           HB3      LEU  57   6.460  14.652   7.001
  375    HG   LEU  57           HG       LEU  57   6.792  17.437   5.875
  376   HD11  LEU  57          HD11      LEU  57   7.796  15.835   4.416
  377   HD12  LEU  57          HD12      LEU  57   6.416  14.748   4.573
  378   HD13  LEU  57          HD13      LEU  57   6.234  16.287   3.734
  379   HD21  LEU  57          HD21      LEU  57   4.478  17.169   5.102
  380   HD22  LEU  57          HD22      LEU  57   4.368  15.645   5.982
  381   HD23  LEU  57          HD23      LEU  57   4.589  17.157   6.863
  382    H    SER  58           H        SER  58   9.747  16.674   8.948
  383    HA   SER  58           HA       SER  58  10.196  14.313  10.555
  384    HB2  SER  58           HB3      SER  58  11.565  15.784  11.966
  385    HG   SER  58           HG       SER  58  10.319  17.778  10.433
  386    H    GLY  59           H        GLY  59   8.236  17.221  10.670
  387    HA2  GLY  59           HA2      GLY  59   7.410  17.004  13.371
  388    HA3  GLY  59           HA3      GLY  59   6.574  17.898  12.107
  389    H    SER  60           H        SER  60   5.673  16.138  10.376
  390    HA   SER  60           HA       SER  60   3.827  14.516  11.960
  391    HB2  SER  60           HB3      SER  60   2.838  16.056  10.325
  392    HG   SER  60           HG       SER  60   1.387  14.616   9.859
  393    H    CYS  61           H        CYS  61   4.769  12.601  12.422
  394    HA   CYS  61           HA       CYS  61   5.436  10.877  10.159
  395    HB2  CYS  61           HB3      CYS  61   7.586  11.757  10.884
  396    HG   CYS  61           HG       CYS  61   8.206   9.357   9.959
  397    H    LYS  62           H        LYS  62   5.150  11.019  13.708
  398    HA   LYS  62           HA       LYS  62   4.037   8.305  13.682
  399    HB2  LYS  62           HB3      LYS  62   5.905   8.730  15.230
  400    HG2  LYS  62           HG3      LYS  62   4.887   7.998  17.341
  401    HD2  LYS  62           HD3      LYS  62   3.797   6.680  14.858
  402    HE2  LYS  62           HE3      LYS  62   2.535   5.919  16.770
  403    HZ1  LYS  62           HZ1      LYS  62   5.154   5.305  18.025
  404    HZ2  LYS  62           HZ2      LYS  62   3.638   4.891  18.653
  405    HZ3  LYS  62           HZ3      LYS  62   4.085   6.517  18.524
  406    H    SER  63           H        SER  63   3.388  11.493  15.138
  407    HA   SER  63           HA       SER  63   0.715  10.748  15.890
  408    HB2  SER  63           HB3      SER  63   2.001  12.364  17.228
  409    HG   SER  63           HG       SER  63  -0.341  13.341  15.972
  410    H    CYS  64           H        CYS  64  -1.198  11.313  14.935
  411    HA   CYS  64           HA       CYS  64  -0.988  12.430  12.220
  412    HB2  CYS  64           HB3      CYS  64  -3.117  10.633  13.401
  413    HG   CYS  64           HG       CYS  64  -0.897   9.025  13.089
  414    HA   PRO  65           HA       PRO  65  -3.166  15.782  14.430
  415    HB2  PRO  65           HB3      PRO  65  -2.394  17.746  12.736
  416    HG2  PRO  65           HG3      PRO  65  -1.337  16.462  11.114
  417    HD2  PRO  65           HD3      PRO  65  -0.711  14.281  11.509
  418    H    GLU  66           H        GLU  66  -3.102  15.120  10.952
  419    HA   GLU  66           HA       GLU  66  -5.841  16.172  10.742
  420    HB2  GLU  66           HB3      GLU  66  -4.240  17.249   9.245
  421    HG2  GLU  66           HG3      GLU  66  -6.048  15.392   7.715
  422    H    GLY  67           H        GLY  67  -3.776  13.487   9.653
  423    HA2  GLY  67           HA2      GLY  67  -4.727  11.228  10.067
  424    HA3  GLY  67           HA3      GLY  67  -6.230  11.857   9.407
  425    H    LYS  68           H        LYS  68  -5.291  13.244   7.198
  426    HA   LYS  68           HA       LYS  68  -5.048  11.186   5.298
  427    HB2  LYS  68           HB3      LYS  68  -5.982  13.452   4.845
  428    HG2  LYS  68           HG3      LYS  68  -3.703  12.646   3.048
  429    HD2  LYS  68           HD3      LYS  68  -6.036  14.494   2.558
  430    HE2  LYS  68           HE3      LYS  68  -3.926  13.444   0.678
  431    HZ1  LYS  68           HZ1      LYS  68  -6.045  15.472   0.210
  432    HZ2  LYS  68           HZ2      LYS  68  -5.037  14.810  -0.979
  433    HZ3  LYS  68           HZ3      LYS  68  -4.381  15.770   0.248
  434    H    ALA  69           H        ALA  69  -3.323  10.470   4.062
  435    HA   ALA  69           HA       ALA  69  -0.657  11.489   4.603
  436    HB1  ALA  69           HB1      ALA  69  -1.016   9.818   6.367
  437    HB2  ALA  69           HB2      ALA  69  -1.344   8.601   5.134
  438    HB3  ALA  69           HB3      ALA  69   0.256   9.333   5.246
  439    H    ALA  70           H        ALA  70   0.777  11.130   2.952
  440    HA   ALA  70           HA       ALA  70  -0.371  10.240   0.452
  441    HB1  ALA  70           HB1      ALA  70   2.377  11.329   1.054
  442    HB2  ALA  70           HB2      ALA  70   1.699  11.058  -0.550
  443    HB3  ALA  70           HB3      ALA  70   0.985  12.268   0.514
  444    H    CYS  71           H        CYS  71  -0.240   8.235  -0.284
  445    HA   CYS  71           HA       CYS  71   0.468   6.112  -0.685
  446    HB2  CYS  71           HB3      CYS  71   3.159   7.136   0.248
  447    HG   CYS  71           HG       CYS  71   3.138   6.698  -2.962
  448    H    ARG  72           H        ARG  72  -0.620   4.902   0.767
  449    HA   ARG  72           HA       ARG  72   0.828   4.116   3.176
  450    HB2  ARG  72           HB3      ARG  72  -1.203   4.313   4.562
  451    HG2  ARG  72           HG3      ARG  72  -2.391   5.962   2.351
  452    HD2  ARG  72           HD3      ARG  72  -3.702   4.775   4.774
  453    HE   ARG  72           HE       ARG  72  -4.704   6.297   2.627
  454   HH11  ARG  72          HH12      ARG  72  -4.880   6.050   6.094
  455   HH12  ARG  72          HH11      ARG  72  -6.474   6.723   6.192
  456   HH21  ARG  72          HH21      ARG  72  -6.802   7.184   2.741
  457   HH22  ARG  72          HH22      ARG  72  -7.567   7.366   4.284
  458    H    GLN  73           H        GLN  73  -0.074   2.158   4.178
  459    HA   GLN  73           HA       GLN  73  -1.848   0.549   2.529
  460    HB2  GLN  73           HB3      GLN  73  -0.204  -1.327   2.457
  461    HG2  GLN  73           HG3      GLN  73   1.616   0.775   3.567
  462   HE21  GLN  73          HE22      GLN  73   3.847   0.477   3.420
  463   HE22  GLN  73          HE21      GLN  73   4.565  -0.425   2.134
  464    H    GLU  74           H        GLU  74  -2.970  -0.953   3.702
  465    HA   GLU  74           HA       GLU  74  -2.258  -1.162   6.558
  466    HB2  GLU  74           HB3      GLU  74  -4.629  -1.432   7.044
  467    HG2  GLU  74           HG3      GLU  74  -5.045  -1.052   4.091
  468    H    TRP  75           H        TRP  75  -3.333  -3.156   7.589
  469    HA   TRP  75           HA       TRP  75  -2.883  -5.476   5.829
  470    HB2  TRP  75           HB3      TRP  75  -2.511  -5.461   8.826
  471    HD1  TRP  75           HD1      TRP  75  -0.537  -4.707   5.594
  472    HE1  TRP  75           HE1      TRP  75   1.694  -3.607   6.258
  473    HE3  TRP  75           HE3      TRP  75  -0.896  -5.143  10.676
  474    HZ2  TRP  75           HZ2      TRP  75   3.113  -3.004   8.623
  475    HZ3  TRP  75           HZ3      TRP  75   0.941  -4.281  12.067
  476    HH2  TRP  75           HH2      TRP  75   2.904  -3.234  11.061
  477    H    TRP  76           H        TRP  76  -4.154  -7.386   6.301
  478    HA   TRP  76           HA       TRP  76  -6.779  -6.687   7.432
  479    HB2  TRP  76           HB3      TRP  76  -6.648  -7.331   4.996
  480    HD1  TRP  76           HD1      TRP  76  -8.038 -10.574   6.323
  481    HE1  TRP  76           HE1      TRP  76 -10.607 -10.430   6.408
  482    HE3  TRP  76           HE3      TRP  76  -8.597  -5.577   5.412
  483    HZ2  TRP  76           HZ2      TRP  76 -12.605  -8.455   6.123
  484    HZ3  TRP  76           HZ3      TRP  76 -10.869  -4.638   5.334
  485    HH2  TRP  76           HH2      TRP  76 -12.832  -6.048   5.683
  486    H    ALA  77           H        ALA  77  -7.620  -7.846   9.085
  487    HA   ALA  77           HA       ALA  77  -6.442 -10.409   9.802
  488    HB1  ALA  77           HB1      ALA  77  -6.028  -9.741  12.122
  489    HB2  ALA  77           HB2      ALA  77  -5.040  -8.819  10.990
  490    HB3  ALA  77           HB3      ALA  77  -6.466  -8.081  11.717
  491    H    LEU  78           H        LEU  78  -7.758 -11.727  11.013
  492    HA   LEU  78           HA       LEU  78 -10.518 -10.770  11.359
  493    HB2  LEU  78           HB3      LEU  78  -9.466 -13.569  10.945
  494    HG   LEU  78           HG       LEU  78 -11.115 -11.815   9.128
  495   HD11  LEU  78          HD11      LEU  78  -9.246 -12.476   7.538
  496   HD12  LEU  78          HD12      LEU  78  -8.838 -11.327   8.812
  497   HD13  LEU  78          HD13      LEU  78  -8.370 -13.020   8.970
  498   HD21  LEU  78          HD21      LEU  78 -10.462 -14.752   8.927
  499   HD22  LEU  78          HD22      LEU  78 -12.060 -14.043   9.155
  500   HD23  LEU  78          HD23      LEU  78 -11.187 -13.783   7.645
  501    H    ARG  79           H        ARG  79 -11.603 -12.556  13.022
  502    HA   ARG  79           HA       ARG  79 -10.226 -12.002  15.531
  503    HB2  ARG  79           HB3      ARG  79 -12.626 -11.439  15.294
  504    HG2  ARG  79           HG3      ARG  79 -13.462 -12.398  17.338
  505    HD2  ARG  79           HD3      ARG  79 -11.613 -11.896  18.856
  506    HE   ARG  79           HE       ARG  79 -12.641 -10.066  17.193
  507   HH11  ARG  79          HH12      ARG  79  -9.390 -10.597  18.332
  508   HH12  ARG  79          HH11      ARG  79  -8.948  -8.925  18.237
  509   HH21  ARG  79          HH21      ARG  79 -12.067  -7.863  17.067
  510   HH22  ARG  79          HH22      ARG  79 -10.468  -7.371  17.519
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -5.820  -6.077 -13.484
    2    H2   MET   1           H2       MET   1  -6.965  -5.561 -14.617
    3    H3   MET   1           H3       MET   1  -7.039  -7.131 -13.995
    4    HA   MET   1           HA       MET   1  -7.443  -4.635 -12.455
    5    HB2  MET   1           HB3      MET   1  -9.777  -5.360 -12.288
    6    HG2  MET   1           HG3      MET   1  -9.009  -7.543 -14.210
    7    HE1  MET   1           HE1      MET   1 -11.803  -5.522 -12.327
    8    HE2  MET   1           HE2      MET   1 -13.233  -6.495 -12.672
    9    HE3  MET   1           HE3      MET   1 -11.956  -7.138 -11.640
   10    H    ALA   2           H        ALA   2  -7.375  -4.824 -10.297
   11    HA   ALA   2           HA       ALA   2  -7.371  -7.516  -9.119
   12    HB1  ALA   2           HB1      ALA   2  -5.398  -5.339  -8.431
   13    HB2  ALA   2           HB2      ALA   2  -5.507  -6.926  -7.666
   14    HB3  ALA   2           HB3      ALA   2  -5.043  -6.794  -9.363
   15    H    SER   3           H        SER   3  -9.287  -7.420  -8.077
   16    HA   SER   3           HA       SER   3  -9.979  -5.049  -6.525
   17    HB2  SER   3           HB3      SER   3 -11.556  -7.570  -7.098
   18    HG   SER   3           HG       SER   3 -11.688  -6.508  -8.940
   19    H    LEU   4           H        LEU   4 -11.278  -5.788  -4.392
   20    HA   LEU   4           HA       LEU   4  -9.245  -6.874  -2.683
   21    HB2  LEU   4           HB3      LEU   4 -10.834  -6.427  -0.863
   22    HG   LEU   4           HG       LEU   4 -12.747  -5.770  -3.082
   23   HD11  LEU   4          HD11      LEU   4 -14.315  -6.868  -1.422
   24   HD12  LEU   4          HD12      LEU   4 -13.111  -7.914  -2.174
   25   HD13  LEU   4          HD13      LEU   4 -12.874  -7.341  -0.523
   26   HD21  LEU   4          HD21      LEU   4 -14.092  -4.516  -1.458
   27   HD22  LEU   4          HD22      LEU   4 -12.786  -4.654  -0.280
   28   HD23  LEU   4          HD23      LEU   4 -12.538  -3.738  -1.766
   29    H    MET   5           H        MET   5 -11.913  -8.173  -4.390
   30    HA   MET   5           HA       MET   5 -12.776 -10.247  -2.786
   31    HB2  MET   5           HB3      MET   5 -12.363 -10.266  -5.782
   32    HG2  MET   5           HG3      MET   5 -14.822  -9.647  -4.161
   33    HE1  MET   5           HE1      MET   5 -13.165 -10.307  -7.682
   34    HE2  MET   5           HE2      MET   5 -14.443  -9.741  -8.759
   35    HE3  MET   5           HE3      MET   5 -13.592  -8.596  -7.721
   36    H    GLU   6           H        GLU   6  -9.864 -10.010  -4.744
   37    HA   GLU   6           HA       GLU   6  -9.041 -12.694  -4.571
   38    HB2  GLU   6           HB3      GLU   6  -7.436 -10.157  -4.869
   39    HG2  GLU   6           HG3      GLU   6  -8.260 -12.199  -6.919
   40    H    VAL   7           H        VAL   7  -7.736  -9.902  -2.767
   41    HA   VAL   7           HA       VAL   7  -6.266 -11.355  -0.909
   42    HB   VAL   7           HB       VAL   7  -6.051  -8.918  -1.185
   43   HG11  VAL   7          HG11      VAL   7  -7.679  -7.422  -0.085
   44   HG12  VAL   7          HG12      VAL   7  -8.375  -8.312  -1.438
   45   HG13  VAL   7          HG13      VAL   7  -8.719  -8.815   0.217
   46   HG21  VAL   7          HG21      VAL   7  -5.179  -9.948   0.833
   47   HG22  VAL   7          HG22      VAL   7  -5.819  -8.346   1.195
   48   HG23  VAL   7          HG23      VAL   7  -6.750  -9.782   1.620
   49    H    ARG   8           H        ARG   8  -9.656 -10.545  -1.012
   50    HA   ARG   8           HA       ARG   8 -10.397 -11.115   1.615
   51    HB2  ARG   8           HB3      ARG   8 -11.935 -10.044   0.108
   52    HG2  ARG   8           HG3      ARG   8 -12.981 -12.790   0.766
   53    HD2  ARG   8           HD3      ARG   8 -14.397 -10.227   0.054
   54    HE   ARG   8           HE       ARG   8 -15.370 -12.098   1.798
   55   HH11  ARG   8          HH12      ARG   8 -16.254 -10.962  -1.372
   56   HH12  ARG   8          HH11      ARG   8 -17.946 -11.256  -1.147
   57   HH21  ARG   8          HH21      ARG   8 -17.599 -12.486   2.106
   58   HH22  ARG   8          HH22      ARG   8 -18.712 -12.120   0.830
   59    H    ASP   9           H        ASP   9 -10.303 -13.256  -1.227
   60    HA   ASP   9           HA       ASP   9 -11.155 -15.583   0.118
   61    HB2  ASP   9           HB3      ASP   9 -11.225 -15.395  -2.319
   62    H    MET  10           H        MET  10  -7.917 -14.346  -0.649
   63    HA   MET  10           HA       MET  10  -6.369 -16.443   0.254
   64    HB2  MET  10           HB3      MET  10  -5.777 -13.498   0.577
   65    HG2  MET  10           HG3      MET  10  -6.281 -14.077  -1.752
   66    HE1  MET  10           HE1      MET  10  -5.636 -15.037  -4.100
   67    HE2  MET  10           HE2      MET  10  -3.913 -14.725  -3.895
   68    HE3  MET  10           HE3      MET  10  -4.469 -16.330  -4.371
   69    H    LEU  11           H        LEU  11  -7.212 -13.555   2.172
   70    HA   LEU  11           HA       LEU  11  -6.297 -14.583   4.620
   71    HB2  LEU  11           HB3      LEU  11  -8.216 -12.393   3.890
   72    HG   LEU  11           HG       LEU  11  -6.592 -10.873   4.740
   73   HD11  LEU  11          HD11      LEU  11  -5.888 -12.142   6.689
   74   HD12  LEU  11          HD12      LEU  11  -5.031 -13.284   5.655
   75   HD13  LEU  11          HD13      LEU  11  -4.493 -11.608   5.756
   76   HD21  LEU  11          HD21      LEU  11  -4.649 -11.334   3.323
   77   HD22  LEU  11          HD22      LEU  11  -5.201 -12.994   3.109
   78   HD23  LEU  11          HD23      LEU  11  -6.162 -11.658   2.477
   79    H    ALA  12           H        ALA  12  -9.561 -14.462   3.223
   80    HA   ALA  12           HA       ALA  12 -11.018 -15.543   5.292
   81    HB1  ALA  12           HB1      ALA  12 -12.012 -14.663   3.234
   82    HB2  ALA  12           HB2      ALA  12 -11.420 -16.071   2.351
   83    HB3  ALA  12           HB3      ALA  12 -12.631 -16.269   3.618
   84    H    LEU  13           H        LEU  13  -8.720 -17.102   3.234
   85    HA   LEU  13           HA       LEU  13  -9.525 -19.737   4.254
   86    HB2  LEU  13           HB3      LEU  13  -7.680 -19.051   1.966
   87    HG   LEU  13           HG       LEU  13 -10.157 -18.580   1.554
   88   HD11  LEU  13          HD11      LEU  13  -8.549 -18.891  -0.242
   89   HD12  LEU  13          HD12      LEU  13  -8.753 -20.640  -0.139
   90   HD13  LEU  13          HD13      LEU  13 -10.100 -19.624  -0.654
   91   HD21  LEU  13          HD21      LEU  13 -11.096 -20.441   2.784
   92   HD22  LEU  13          HD22      LEU  13 -11.531 -20.569   1.080
   93   HD23  LEU  13          HD23      LEU  13 -10.252 -21.587   1.741
   94    H    GLN  14           H        GLN  14  -6.995 -17.366   4.286
   95    HA   GLN  14           HA       GLN  14  -5.086 -19.194   5.507
   96    HB2  GLN  14           HB3      GLN  14  -4.898 -16.277   4.753
   97    HG2  GLN  14           HG3      GLN  14  -4.816 -17.908   2.886
   98   HE21  GLN  14          HE22      GLN  14  -1.479 -17.954   3.860
   99   HE22  GLN  14          HE21      GLN  14  -1.291 -19.672   3.852
  100    H    GLY  15           H        GLY  15  -5.915 -15.856   6.412
  101    HA2  GLY  15           HA2      GLY  15  -7.206 -16.165   8.774
  102    HA3  GLY  15           HA3      GLY  15  -5.533 -16.490   9.202
  103    H    ARG  16           H        ARG  16  -4.341 -14.809   9.810
  104    HA   ARG  16           HA       ARG  16  -5.313 -12.111   9.140
  105    HB2  ARG  16           HB3      ARG  16  -3.600 -12.995  11.470
  106    HG2  ARG  16           HG3      ARG  16  -5.577 -12.112  12.802
  107    HD2  ARG  16           HD3      ARG  16  -6.112 -14.613  11.213
  108    HE   ARG  16           HE       ARG  16  -7.584 -13.608  13.244
  109   HH11  ARG  16          HH12      ARG  16  -5.528 -16.403  12.931
  110   HH12  ARG  16          HH11      ARG  16  -6.426 -17.352  14.069
  111   HH21  ARG  16          HH21      ARG  16  -8.774 -14.851  14.745
  112   HH22  ARG  16          HH22      ARG  16  -8.267 -16.468  15.102
  113    H    MET  17           H        MET  17  -4.117 -10.972   7.757
  114    HA   MET  17           HA       MET  17  -1.245 -11.017   7.864
  115    HB2  MET  17           HB3      MET  17  -2.644 -12.090   5.411
  116    HG2  MET  17           HG3      MET  17  -0.692 -13.393   7.294
  117    HE1  MET  17           HE1      MET  17   1.176 -13.711   5.441
  118    HE2  MET  17           HE2      MET  17   0.869 -14.388   3.841
  119    HE3  MET  17           HE3      MET  17   0.212 -12.810   4.271
  120    H    GLU  18           H        GLU  18  -0.366  -9.673   5.906
  121    HA   GLU  18           HA       GLU  18  -2.113  -7.320   5.665
  122    HB2  GLU  18           HB3      GLU  18  -0.044  -6.027   5.305
  123    HG2  GLU  18           HG3      GLU  18   1.240  -8.127   4.471
  124    H    ALA  19           H        ALA  19  -2.340  -6.271   3.679
  125    HA   ALA  19           HA       ALA  19  -2.080  -8.008   1.385
  126    HB1  ALA  19           HB1      ALA  19  -4.132  -6.737   1.736
  127    HB2  ALA  19           HB2      ALA  19  -3.228  -5.229   1.593
  128    HB3  ALA  19           HB3      ALA  19  -3.368  -6.309   0.206
  129    H    LYS  20           H        LYS  20  -0.361  -5.342   2.746
  130    HA   LYS  20           HA       LYS  20   0.777  -4.118   0.561
  131    HB2  LYS  20           HB3      LYS  20   2.593  -3.451   1.981
  132    HG2  LYS  20           HG3      LYS  20   1.741  -5.508   4.003
  133    HD2  LYS  20           HD3      LYS  20   4.089  -3.619   3.837
  134    HE2  LYS  20           HE3      LYS  20   3.390  -5.586   6.011
  135    HZ1  LYS  20           HZ1      LYS  20   4.554  -3.634   6.798
  136    HZ2  LYS  20           HZ2      LYS  20   5.758  -3.837   5.628
  137    HZ3  LYS  20           HZ3      LYS  20   5.574  -4.981   6.858
  138    H    GLN  21           H        GLN  21   1.706  -7.170   2.075
  139    HA   GLN  21           HA       GLN  21   4.038  -7.593   0.528
  140    HB2  GLN  21           HB3      GLN  21   2.234  -9.559   1.948
  141    HG2  GLN  21           HG3      GLN  21   4.876  -8.365   2.761
  142   HE21  GLN  21          HE22      GLN  21   5.863 -10.351   3.128
  143   HE22  GLN  21          HE21      GLN  21   5.373 -11.396   4.414
  144    H    LEU  22           H        LEU  22   0.733  -8.873   0.220
  145    HA   LEU  22           HA       LEU  22   1.113 -10.371  -2.095
  146    HB2  LEU  22           HB3      LEU  22  -1.378  -8.872  -1.282
  147    HG   LEU  22           HG       LEU  22  -0.728 -10.336   0.552
  148   HD11  LEU  22          HD11      LEU  22  -3.098 -10.139   0.007
  149   HD12  LEU  22          HD12      LEU  22  -2.964 -11.509  -1.096
  150   HD13  LEU  22          HD13      LEU  22  -2.715 -11.743   0.633
  151   HD21  LEU  22          HD21      LEU  22  -0.500 -12.751   0.206
  152   HD22  LEU  22          HD22      LEU  22  -0.653 -12.513  -1.536
  153   HD23  LEU  22          HD23      LEU  22   0.734 -11.848  -0.674
  154    H    SER  23           H        SER  23   0.182  -6.973  -1.717
  155    HA   SER  23           HA       SER  23  -0.217  -6.379  -4.423
  156    HB2  SER  23           HB3      SER  23   0.133  -4.021  -3.759
  157    HG   SER  23           HG       SER  23   1.781  -4.148  -2.290
  158    H    ALA  24           H        ALA  24   2.700  -6.398  -2.447
  159    HA   ALA  24           HA       ALA  24   4.376  -5.288  -4.492
  160    HB1  ALA  24           HB1      ALA  24   6.217  -5.815  -2.992
  161    HB2  ALA  24           HB2      ALA  24   4.903  -5.041  -2.108
  162    HB3  ALA  24           HB3      ALA  24   5.141  -6.784  -1.986
  163    H    ARG  25           H        ARG  25   3.684  -8.540  -3.283
  164    HA   ARG  25           HA       ARG  25   5.610  -9.979  -4.666
  165    HB2  ARG  25           HB3      ARG  25   4.116 -10.936  -2.948
  166    HG2  ARG  25           HG3      ARG  25   3.585 -13.084  -4.008
  167    HD2  ARG  25           HD3      ARG  25   6.233 -11.937  -4.890
  168    HE   ARG  25           HE       ARG  25   5.256 -14.529  -5.253
  169   HH11  ARG  25          HH12      ARG  25   8.030 -12.914  -3.907
  170   HH12  ARG  25          HH11      ARG  25   9.114 -14.225  -4.230
  171   HH21  ARG  25          HH21      ARG  25   6.673 -16.263  -5.686
  172   HH22  ARG  25          HH22      ARG  25   8.343 -16.130  -5.244
  173    H    LEU  26           H        LEU  26   2.627  -8.564  -5.790
  174    HA   LEU  26           HA       LEU  26   3.222  -9.558  -8.498
  175    HB2  LEU  26           HB3      LEU  26   0.516  -8.935  -7.315
  176    HG   LEU  26           HG       LEU  26   1.280 -11.095  -6.490
  177   HD11  LEU  26          HD11      LEU  26  -1.071 -10.860  -7.071
  178   HD12  LEU  26          HD12      LEU  26  -0.723 -11.358  -8.728
  179   HD13  LEU  26          HD13      LEU  26  -0.504 -12.497  -7.399
  180   HD21  LEU  26          HD21      LEU  26   1.839 -12.903  -8.039
  181   HD22  LEU  26          HD22      LEU  26   1.717 -11.782  -9.394
  182   HD23  LEU  26          HD23      LEU  26   2.973 -11.561  -8.177
  183    H    GLN  27           H        GLN  27   3.729  -6.946  -6.816
  184    HA   GLN  27           HA       GLN  27   3.890  -4.718  -7.225
  185    HB2  GLN  27           HB3      GLN  27   3.608  -5.658 -10.083
  186    HG2  GLN  27           HG3      GLN  27   5.563  -6.610  -8.993
  187   HE21  GLN  27          HE22      GLN  27   5.851  -6.132  -6.813
  188   HE22  GLN  27          HE21      GLN  27   6.873  -4.845  -6.283
  189    H    THR  28           H        THR  28   2.253  -3.552  -6.468
  190    HA   THR  28           HA       THR  28   0.057  -2.875  -8.211
  191    HB   THR  28           HB       THR  28  -0.514  -4.254  -5.580
  192    HG1  THR  28           HG1      THR  28  -1.224  -5.039  -8.226
  193   HG21  THR  28          HG21      THR  28  -2.427  -3.114  -7.621
  194   HG22  THR  28          HG22      THR  28  -2.058  -2.390  -6.055
  195   HG23  THR  28          HG23      THR  28  -2.865  -3.957  -6.136
  196    HA   PRO  29           HA       PRO  29   0.647   1.079  -6.313
  197    HB2  PRO  29           HB3      PRO  29  -2.333   1.206  -6.512
  198    HG2  PRO  29           HG3      PRO  29  -2.328   0.857  -8.817
  199    HD2  PRO  29           HD3      PRO  29  -1.924  -1.295  -8.105
  200    H    GLN  30           H        GLN  30   1.199   0.879  -4.209
  201    HA   GLN  30           HA       GLN  30  -0.184  -0.438  -2.209
  202    HB2  GLN  30           HB3      GLN  30   1.673   1.932  -1.992
  203    HG2  GLN  30           HG3      GLN  30   2.159  -1.008  -1.580
  204   HE21  GLN  30          HE22      GLN  30   4.387   1.497  -2.511
  205   HE22  GLN  30          HE21      GLN  30   5.377   1.422  -1.097
  206    HA   PRO  31           HA       PRO  31  -2.027   4.117  -1.171
  207    HB2  PRO  31           HB3      PRO  31  -2.717   4.514  -4.055
  208    HG2  PRO  31           HG3      PRO  31  -0.537   5.073  -4.635
  209    HD2  PRO  31           HD3      PRO  31  -0.203   2.823  -4.406
  210    H    LEU  32           H        LEU  32  -3.085   2.051  -3.854
  211    HA   LEU  32           HA       LEU  32  -5.859   2.240  -3.209
  212    HB2  LEU  32           HB3      LEU  32  -4.861   1.694  -5.471
  213    HG   LEU  32           HG       LEU  32  -6.564   0.183  -6.219
  214   HD11  LEU  32          HD11      LEU  32  -6.111  -1.354  -4.141
  215   HD12  LEU  32          HD12      LEU  32  -7.459  -0.449  -3.453
  216   HD13  LEU  32          HD13      LEU  32  -7.679  -1.358  -4.947
  217   HD21  LEU  32          HD21      LEU  32  -7.288   2.437  -5.581
  218   HD22  LEU  32          HD22      LEU  32  -8.562   1.242  -5.328
  219   HD23  LEU  32          HD23      LEU  32  -7.642   1.856  -3.953
  220    H    ILE  33           H        ILE  33  -3.291  -0.083  -2.530
  221    HA   ILE  33           HA       ILE  33  -4.685  -2.213  -1.519
  222    HB   ILE  33           HB       ILE  33  -2.155  -1.091  -0.311
  223   HG12  ILE  33          HG13      ILE  33  -1.841  -1.368  -2.689
  224   HG21  ILE  33          HG21      ILE  33  -1.725  -3.414   0.348
  225   HG22  ILE  33          HG22      ILE  33  -3.200  -2.785   1.080
  226   HG23  ILE  33          HG23      ILE  33  -3.297  -3.880  -0.298
  227   HD11  ILE  33          HD11      ILE  33  -2.171  -3.493  -3.824
  228   HD12  ILE  33          HD12      ILE  33  -2.905  -4.162  -2.367
  229   HD13  ILE  33          HD13      ILE  33  -3.695  -2.840  -3.225
  230    H    ASP  34           H        ASP  34  -3.505   0.552   0.414
  231    HA   ASP  34           HA       ASP  34  -4.630  -0.146   2.837
  232    HB2  ASP  34           HB3      ASP  34  -3.069   1.730   2.571
  233    H    ALA  35           H        ALA  35  -6.067   1.774   0.223
  234    HA   ALA  35           HA       ALA  35  -8.550   2.176   1.553
  235    HB1  ALA  35           HB1      ALA  35  -9.351   3.009  -0.581
  236    HB2  ALA  35           HB2      ALA  35  -7.748   3.656  -0.233
  237    HB3  ALA  35           HB3      ALA  35  -7.934   2.341  -1.393
  238    H    MET  36           H        MET  36  -7.224  -0.362  -0.396
  239    HA   MET  36           HA       MET  36  -9.624  -1.579  -1.245
  240    HB2  MET  36           HB3      MET  36  -7.430  -2.129  -2.214
  241    HG2  MET  36           HG3      MET  36  -8.763  -4.493  -0.912
  242    HE1  MET  36           HE1      MET  36  -6.484  -5.662  -0.283
  243    HE2  MET  36           HE2      MET  36  -5.156  -5.921  -1.416
  244    HE3  MET  36           HE3      MET  36  -5.549  -4.288  -0.875
  245    H    LEU  37           H        LEU  37  -7.454  -2.357   1.453
  246    HA   LEU  37           HA       LEU  37  -9.143  -4.285   2.634
  247    HB2  LEU  37           HB3      LEU  37  -7.059  -2.582   3.986
  248    HG   LEU  37           HG       LEU  37  -6.065  -3.712   2.020
  249   HD11  LEU  37          HD11      LEU  37  -4.625  -3.319   3.868
  250   HD12  LEU  37          HD12      LEU  37  -5.278  -4.700   4.751
  251   HD13  LEU  37          HD13      LEU  37  -4.311  -4.957   3.300
  252   HD21  LEU  37          HD21      LEU  37  -6.885  -6.252   3.414
  253   HD22  LEU  37          HD22      LEU  37  -7.643  -5.607   1.957
  254   HD23  LEU  37          HD23      LEU  37  -5.955  -6.115   1.923
  255    H    GLU  38           H        GLU  38  -8.490  -0.888   3.471
  256    HA   GLU  38           HA       GLU  38 -10.183  -0.574   5.608
  257    HB2  GLU  38           HB3      GLU  38  -8.656   1.175   4.828
  258    HG2  GLU  38           HG3      GLU  38 -11.508   2.129   4.825
  259    H    ARG  39           H        ARG  39 -10.993  -0.363   2.162
  260    HA   ARG  39           HA       ARG  39 -13.683   0.398   2.494
  261    HB2  ARG  39           HB3      ARG  39 -12.464   0.584   0.356
  262    HG2  ARG  39           HG3      ARG  39 -14.834  -1.243   0.044
  263    HD2  ARG  39           HD3      ARG  39 -13.681   0.882  -1.756
  264    HE   ARG  39           HE       ARG  39 -16.263  -0.176  -1.765
  265   HH11  ARG  39          HH12      ARG  39 -13.584   0.261  -3.946
  266   HH12  ARG  39          HH11      ARG  39 -14.583   0.377  -5.356
  267   HH21  ARG  39          HH21      ARG  39 -17.588  -0.028  -3.615
  268   HH22  ARG  39          HH22      ARG  39 -16.860   0.212  -5.168
  269    H    MET  40           H        MET  40 -12.158  -2.783   2.141
  270    HA   MET  40           HA       MET  40 -14.473  -4.340   2.095
  271    HB2  MET  40           HB3      MET  40 -12.295  -5.271   1.565
  272    HG2  MET  40           HG3      MET  40 -13.364  -6.593   4.050
  273    HE1  MET  40           HE1      MET  40 -13.605  -9.456   2.765
  274    HE2  MET  40           HE2      MET  40 -12.078 -10.211   3.220
  275    HE3  MET  40           HE3      MET  40 -12.956  -9.223   4.388
  276    H    GLU  41           H        GLU  41 -12.575  -3.139   4.828
  277    HA   GLU  41           HA       GLU  41 -14.338  -4.388   6.754
  278    HB2  GLU  41           HB3      GLU  41 -11.864  -4.135   7.103
  279    HG2  GLU  41           HG3      GLU  41 -13.484  -4.396   9.024
  280    H    ALA  42           H        ALA  42 -14.043  -1.358   5.131
  281    HA   ALA  42           HA       ALA  42 -15.181   0.445   6.870
  282    HB1  ALA  42           HB1      ALA  42 -15.693   0.263   3.901
  283    HB2  ALA  42           HB2      ALA  42 -15.914   1.690   4.911
  284    HB3  ALA  42           HB3      ALA  42 -14.297   1.033   4.656
  285    H    MET  43           H        MET  43 -16.661  -2.237   5.262
  286    HA   MET  43           HA       MET  43 -19.365  -1.323   5.737
  287    HB2  MET  43           HB3      MET  43 -18.421  -4.056   4.853
  288    HG2  MET  43           HG3      MET  43 -17.645  -2.425   3.239
  289    HE1  MET  43           HE1      MET  43 -21.525  -2.061   3.962
  290    HE2  MET  43           HE2      MET  43 -21.959  -0.872   2.736
  291    HE3  MET  43           HE3      MET  43 -21.415  -2.478   2.252
  292    H    GLY  44           H        GLY  44 -16.956  -3.215   7.339
  293    HA2  GLY  44           HA2      GLY  44 -17.259  -3.437   9.767
  294    HA3  GLY  44           HA3      GLY  44 -18.927  -3.890   9.432
  295    H    LYS  45           H        LYS  45 -15.663  -4.914   8.396
  296    HA   LYS  45           HA       LYS  45 -16.576  -7.660   8.239
  297    HB2  LYS  45           HB3      LYS  45 -14.959  -6.542   6.599
  298    HG2  LYS  45           HG3      LYS  45 -13.541  -8.536   6.319
  299    HD2  LYS  45           HD3      LYS  45 -16.418  -9.166   6.980
  300    HE2  LYS  45           HE3      LYS  45 -16.182 -10.923   5.293
  301    HZ1  LYS  45           HZ1      LYS  45 -15.783 -11.533   7.589
  302    HZ2  LYS  45           HZ2      LYS  45 -14.146 -11.128   7.445
  303    HZ3  LYS  45           HZ3      LYS  45 -14.776 -12.427   6.564
  304    H    VAL  46           H        VAL  46 -13.626  -6.297   9.732
  305    HA   VAL  46           HA       VAL  46 -14.281  -7.476  12.276
  306    HB   VAL  46           HB       VAL  46 -11.871  -8.627  12.174
  307   HG11  VAL  46          HG11      VAL  46 -13.025 -10.756  11.791
  308   HG12  VAL  46          HG12      VAL  46 -13.942  -9.702  12.868
  309   HG13  VAL  46          HG13      VAL  46 -14.429  -9.882  11.183
  310   HG21  VAL  46          HG21      VAL  46 -11.672  -7.953   9.728
  311   HG22  VAL  46          HG22      VAL  46 -11.373  -9.649  10.100
  312   HG23  VAL  46          HG23      VAL  46 -12.914  -9.158   9.400
  313    H    VAL  47           H        VAL  47 -10.933  -7.057  11.256
  314    HA   VAL  47           HA       VAL  47 -10.832  -4.362  12.341
  315    HB   VAL  47           HB       VAL  47 -10.566  -5.718  14.349
  316   HG11  VAL  47          HG11      VAL  47  -9.770  -7.773  13.315
  317   HG12  VAL  47          HG12      VAL  47  -8.243  -6.992  12.903
  318   HG13  VAL  47          HG13      VAL  47  -8.672  -7.253  14.593
  319   HG21  VAL  47          HG21      VAL  47  -9.297  -3.634  14.165
  320   HG22  VAL  47          HG22      VAL  47  -8.422  -4.834  15.116
  321   HG23  VAL  47          HG23      VAL  47  -7.948  -4.514  13.447
  322    H    ARG  48           H        ARG  48  -8.838  -3.270  11.901
  323    HA   ARG  48           HA       ARG  48  -6.900  -4.628  10.223
  324    HB2  ARG  48           HB3      ARG  48  -7.097  -2.694   8.529
  325    HG2  ARG  48           HG3      ARG  48  -9.314  -1.803   8.178
  326    HD2  ARG  48           HD3      ARG  48  -8.564  -1.258  11.038
  327    HE   ARG  48           HE       ARG  48 -10.289   0.082   9.217
  328   HH11  ARG  48          HH12      ARG  48  -7.983   0.594  11.778
  329   HH12  ARG  48          HH11      ARG  48  -8.661   2.114  12.260
  330   HH21  ARG  48          HH21      ARG  48 -11.189   2.082   9.845
  331   HH22  ARG  48          HH22      ARG  48 -10.486   2.959  11.163
  332    H    ILE  49           H        ILE  49  -5.024  -3.245   9.707
  333    HA   ILE  49           HA       ILE  49  -4.657  -1.031  11.608
  334    HB   ILE  49           HB       ILE  49  -2.547  -3.128  11.100
  335   HG12  ILE  49          HG13      ILE  49  -4.345  -2.835  13.518
  336   HG21  ILE  49          HG21      ILE  49  -1.704  -0.932  11.741
  337   HG22  ILE  49          HG22      ILE  49  -2.755  -0.931  13.157
  338   HG23  ILE  49          HG23      ILE  49  -1.446  -2.107  13.030
  339   HD11  ILE  49          HD11      ILE  49  -3.406  -4.971  14.226
  340   HD12  ILE  49          HD12      ILE  49  -2.287  -4.928  12.862
  341   HD13  ILE  49          HD13      ILE  49  -2.174  -3.713  14.135
  342    H    SER  50           H        SER  50  -4.277   0.710  10.395
  343    HA   SER  50           HA       SER  50  -3.066   0.445   7.776
  344    HB2  SER  50           HB3      SER  50  -3.578   2.849   7.542
  345    HG   SER  50           HG       SER  50  -3.405   3.635   9.595
  346    H    GLU  51           H        GLU  51  -1.030   0.801   7.286
  347    HA   GLU  51           HA       GLU  51   0.628   2.455   9.046
  348    HB2  GLU  51           HB3      GLU  51   1.069   0.185   9.759
  349    HG2  GLU  51           HG3      GLU  51   3.288   1.136   7.960
  350    H    THR  52           H        THR  52   2.511   3.333   8.018
  351    HA   THR  52           HA       THR  52   2.228   3.458   5.093
  352    HB   THR  52           HB       THR  52   1.962   5.617   6.229
  353    HG1  THR  52           HG1      THR  52   2.934   5.606   4.156
  354   HG21  THR  52          HG21      THR  52   3.368   5.180   8.187
  355   HG22  THR  52          HG22      THR  52   3.865   6.661   7.367
  356   HG23  THR  52          HG23      THR  52   4.803   5.181   7.162
  357    H    SER  53           H        SER  53   4.311   3.897   3.904
  358    HA   SER  53           HA       SER  53   6.129   1.788   4.399
  359    HB2  SER  53           HB3      SER  53   7.406   2.715   2.506
  360    HG   SER  53           HG       SER  53   7.272   4.758   2.100
  361    H    GLU  54           H        GLU  54   7.941   1.706   5.556
  362    HA   GLU  54           HA       GLU  54   9.432   4.116   6.176
  363    HB2  GLU  54           HB3      GLU  54   7.834   4.104   7.991
  364    HG2  GLU  54           HG3      GLU  54   9.235   3.874   9.949
  365    H    GLY  55           H        GLY  55  11.447   3.574   5.656
  366    HA2  GLY  55           HA2      GLY  55  13.318   2.181   6.693
  367    HA3  GLY  55           HA3      GLY  55  12.334   0.813   6.192
  368    H    CYS  56           H        CYS  56  11.499   2.103   3.698
  369    HA   CYS  56           HA       CYS  56  13.844   1.406   2.139
  370    HB2  CYS  56           HB3      CYS  56  11.677   0.504   1.469
  371    HG   CYS  56           HG       CYS  56  13.233   2.580  -0.709
  372    H    LEU  57           H        LEU  57  11.516   4.115   2.046
  373    HA   LEU  57           HA       LEU  57  13.395   5.769   0.620
  374    HB2  LEU  57           HB3      LEU  57  10.668   6.335   1.778
  375    HG   LEU  57           HG       LEU  57  11.564   5.996  -1.087
  376   HD11  LEU  57          HD11      LEU  57  11.239   3.867  -0.083
  377   HD12  LEU  57          HD12      LEU  57   9.750   4.393   0.702
  378   HD13  LEU  57          HD13      LEU  57   9.807   4.210  -1.051
  379   HD21  LEU  57          HD21      LEU  57   8.868   6.791   0.010
  380   HD22  LEU  57          HD22      LEU  57   9.977   7.838  -0.877
  381   HD23  LEU  57          HD23      LEU  57   9.241   6.451  -1.680
  382    H    SER  58           H        SER  58  14.525   7.519   1.376
  383    HA   SER  58           HA       SER  58  14.786   7.681   4.290
  384    HB2  SER  58           HB3      SER  58  16.855   7.246   3.061
  385    HG   SER  58           HG       SER  58  17.946   9.332   3.696
  386    H    GLY  59           H        GLY  59  13.856   9.527   1.492
  387    HA2  GLY  59           HA2      GLY  59  13.996  12.109   2.660
  388    HA3  GLY  59           HA3      GLY  59  13.047  11.665   1.248
  389    H    SER  60           H        SER  60  10.919  10.809   1.567
  390    HA   SER  60           HA       SER  60   9.616  12.008   3.864
  391    HB2  SER  60           HB3      SER  60   8.628  12.336   1.649
  392    HG   SER  60           HG       SER  60   7.182  12.187   3.414
  393    H    CYS  61           H        CYS  61   9.047  10.935   5.637
  394    HA   CYS  61           HA       CYS  61   8.758   8.010   5.475
  395    HB2  CYS  61           HB3      CYS  61  10.067   9.590   7.699
  396    HG   CYS  61           HG       CYS  61  12.441   8.089   7.282
  397    H    LYS  62           H        LYS  62   8.317  10.433   8.043
  398    HA   LYS  62           HA       LYS  62   5.640   9.341   8.519
  399    HB2  LYS  62           HB3      LYS  62   7.135   9.408  10.449
  400    HG2  LYS  62           HG3      LYS  62   5.823  10.718  12.034
  401    HD2  LYS  62           HD3      LYS  62   4.134   9.334   9.951
  402    HE2  LYS  62           HE3      LYS  62   3.590   9.917  12.861
  403    HZ1  LYS  62           HZ1      LYS  62   2.707   7.778  12.201
  404    HZ2  LYS  62           HZ2      LYS  62   1.951   8.466  10.853
  405    HZ3  LYS  62           HZ3      LYS  62   1.446   8.884  12.412
  406    H    SER  63           H        SER  63   7.319  12.443   8.110
  407    HA   SER  63           HA       SER  63   4.993  13.558   6.806
  408    HB2  SER  63           HB3      SER  63   4.826  15.504   8.319
  409    HG   SER  63           HG       SER  63   5.873  15.338  10.361
  410    H    CYS  64           H        CYS  64   5.702  14.700   5.133
  411    HA   CYS  64           HA       CYS  64   8.208  16.202   5.396
  412    HB2  CYS  64           HB3      CYS  64   8.768  14.119   4.249
  413    HG   CYS  64           HG       CYS  64  10.476  16.006   3.370
  414    HA   PRO  65           HA       PRO  65   5.828  19.581   3.806
  415    HB2  PRO  65           HB3      PRO  65   8.375  20.359   2.478
  416    HG2  PRO  65           HG3      PRO  65   9.643  20.310   4.426
  417    HD2  PRO  65           HD3      PRO  65   9.446  18.049   3.999
  418    H    GLU  66           H        GLU  66   8.294  18.496   1.459
  419    HA   GLU  66           HA       GLU  66   6.677  19.098  -0.797
  420    HB2  GLU  66           HB3      GLU  66   9.115  19.072  -0.934
  421    HG2  GLU  66           HG3      GLU  66   9.468  17.776  -2.939
  422    H    GLY  67           H        GLY  67   7.396  16.117   0.966
  423    HA2  GLY  67           HA2      GLY  67   6.226  14.136   1.063
  424    HA3  GLY  67           HA3      GLY  67   4.926  14.928   0.186
  425    H    LYS  68           H        LYS  68   7.923  13.132  -0.119
  426    HA   LYS  68           HA       LYS  68   7.872  13.002  -2.972
  427    HB2  LYS  68           HB3      LYS  68   9.312  11.208  -1.010
  428    HG2  LYS  68           HG3      LYS  68  10.004  13.506  -0.657
  429    HD2  LYS  68           HD3      LYS  68  10.648  13.523  -3.604
  430    HE2  LYS  68           HE3      LYS  68  11.281  15.860  -3.209
  431    HZ1  LYS  68           HZ1      LYS  68  13.352  15.443  -2.049
  432    HZ2  LYS  68           HZ2      LYS  68  13.016  14.176  -3.119
  433    HZ3  LYS  68           HZ3      LYS  68  12.762  13.971  -1.460
  434    H    ALA  69           H        ALA  69   6.300  11.987  -4.036
  435    HA   ALA  69           HA       ALA  69   4.735  10.446  -4.641
  436    HB1  ALA  69           HB1      ALA  69   5.378   8.119  -4.464
  437    HB2  ALA  69           HB2      ALA  69   6.776   9.096  -4.915
  438    HB3  ALA  69           HB3      ALA  69   6.598   8.523  -3.256
  439    H    ALA  70           H        ALA  70   3.638   8.241  -3.564
  440    HA   ALA  70           HA       ALA  70   3.017   8.637  -0.770
  441    HB1  ALA  70           HB1      ALA  70   1.568  10.297  -1.838
  442    HB2  ALA  70           HB2      ALA  70   0.855   9.030  -2.836
  443    HB3  ALA  70           HB3      ALA  70   0.632   9.003  -1.087
  444    H    CYS  71           H        CYS  71   2.747   6.704   0.119
  445    HA   CYS  71           HA       CYS  71   1.353   4.593  -1.317
  446    HB2  CYS  71           HB3      CYS  71   4.179   4.238  -0.293
  447    HG   CYS  71           HG       CYS  71   2.962   4.338  -3.478
  448    H    ARG  72           H        ARG  72  -0.019   3.653   0.045
  449    HA   ARG  72           HA       ARG  72   0.734   3.367   2.863
  450    HB2  ARG  72           HB3      ARG  72  -1.479   4.114   3.595
  451    HG2  ARG  72           HG3      ARG  72  -1.988   5.114   0.812
  452    HD2  ARG  72           HD3      ARG  72  -3.883   4.656   3.094
  453    HE   ARG  72           HE       ARG  72  -4.376   5.385   0.472
  454   HH11  ARG  72          HH12      ARG  72  -5.006   6.653   3.652
  455   HH12  ARG  72          HH11      ARG  72  -6.475   7.445   3.188
  456   HH21  ARG  72          HH21      ARG  72  -6.310   6.424  -0.152
  457   HH22  ARG  72          HH22      ARG  72  -7.217   7.314   1.025
  458    H    GLN  73           H        GLN  73  -0.017   1.553   3.865
  459    HA   GLN  73           HA       GLN  73  -2.000  -0.129   2.546
  460    HB2  GLN  73           HB3      GLN  73  -0.461  -2.120   2.783
  461    HG2  GLN  73           HG3      GLN  73   1.986  -1.534   2.588
  462   HE21  GLN  73          HE22      GLN  73   2.765  -0.178   5.062
  463   HE22  GLN  73          HE21      GLN  73   2.295  -1.232   6.347
  464    H    GLU  74           H        GLU  74  -3.141  -1.424   3.964
  465    HA   GLU  74           HA       GLU  74  -2.326  -1.188   6.792
  466    HB2  GLU  74           HB3      GLU  74  -4.715  -1.338   7.378
  467    HG2  GLU  74           HG3      GLU  74  -5.235  -1.055   4.433
  468    H    TRP  75           H        TRP  75  -3.434  -2.941   8.173
  469    HA   TRP  75           HA       TRP  75  -2.881  -5.522   6.886
  470    HB2  TRP  75           HB3      TRP  75  -1.534  -4.925   8.883
  471    HD1  TRP  75           HD1      TRP  75  -4.505  -7.382   9.430
  472    HE1  TRP  75           HE1      TRP  75  -3.513  -9.709   9.904
  473    HE3  TRP  75           HE3      TRP  75   0.463  -6.213   9.164
  474    HZ2  TRP  75           HZ2      TRP  75  -0.960 -10.891  10.138
  475    HZ3  TRP  75           HZ3      TRP  75   2.117  -7.999   9.528
  476    HH2  TRP  75           HH2      TRP  75   1.418 -10.289  10.006
  477    H    TRP  76           H        TRP  76  -4.368  -7.157   6.866
  478    HA   TRP  76           HA       TRP  76  -7.052  -6.478   7.875
  479    HB2  TRP  76           HB3      TRP  76  -6.808  -6.707   5.385
  480    HD1  TRP  76           HD1      TRP  76  -9.335  -6.092   5.374
  481    HE1  TRP  76           HE1      TRP  76 -11.511  -7.446   5.616
  482    HE3  TRP  76           HE3      TRP  76  -7.355 -10.541   6.928
  483    HZ2  TRP  76           HZ2      TRP  76 -12.286 -10.054   6.368
  484    HZ3  TRP  76           HZ3      TRP  76  -8.882 -12.414   7.388
  485    HH2  TRP  76           HH2      TRP  76 -11.296 -12.174   7.116
  486    H    ALA  77           H        ALA  77  -7.759  -7.646   9.536
  487    HA   ALA  77           HA       ALA  77  -7.140 -10.476   9.709
  488    HB1  ALA  77           HB1      ALA  77  -5.225  -9.558  10.830
  489    HB2  ALA  77           HB2      ALA  77  -6.253  -8.538  11.839
  490    HB3  ALA  77           HB3      ALA  77  -6.290 -10.291  12.029
  491    H    LEU  78           H        LEU  78  -8.285 -11.520  11.551
  492    HA   LEU  78           HA       LEU  78 -10.915 -10.277  11.877
  493    HB2  LEU  78           HB3      LEU  78 -10.045 -13.125  12.366
  494    HG   LEU  78           HG       LEU  78 -11.554 -11.935  10.040
  495   HD11  LEU  78          HD11      LEU  78  -9.780 -13.347   8.828
  496   HD12  LEU  78          HD12      LEU  78  -9.283 -11.814   9.550
  497   HD13  LEU  78          HD13      LEU  78  -8.927 -13.333  10.374
  498   HD21  LEU  78          HD21      LEU  78 -11.814 -14.288   9.294
  499   HD22  LEU  78          HD22      LEU  78 -11.239 -14.812  10.878
  500   HD23  LEU  78          HD23      LEU  78 -12.742 -13.900  10.744
  501    H    ARG  79           H        ARG  79 -12.023 -11.038  14.021
  502    HA   ARG  79           HA       ARG  79 -10.752  -9.715  16.136
  503    HB2  ARG  79           HB3      ARG  79 -12.986 -11.748  16.289
  504    HG2  ARG  79           HG3      ARG  79 -13.545  -9.888  14.780
  505    HD2  ARG  79           HD3      ARG  79 -12.072  -8.193  15.809
  506    HE   ARG  79           HE       ARG  79 -13.285  -8.758  18.193
  507   HH11  ARG  79          HH12      ARG  79 -12.824  -5.899  16.261
  508   HH12  ARG  79          HH11      ARG  79 -12.805  -4.826  17.620
  509   HH21  ARG  79          HH21      ARG  79 -13.265  -7.356  19.991
  510   HH22  ARG  79          HH22      ARG  79 -13.058  -5.654  19.743
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -7.604  -7.302 -13.232
    2    H2   MET   1           H2       MET   1  -6.004  -6.766 -13.100
    3    H3   MET   1           H3       MET   1  -7.039  -6.066 -14.240
    4    HA   MET   1           HA       MET   1  -6.701  -4.638 -12.310
    5    HB2  MET   1           HB3      MET   1  -8.810  -4.580 -13.632
    6    HG2  MET   1           HG3      MET   1  -9.235  -4.127 -10.687
    7    HE1  MET   1           HE1      MET   1 -11.519  -5.495 -12.311
    8    HE2  MET   1           HE2      MET   1 -11.788  -4.893 -10.675
    9    HE3  MET   1           HE3      MET   1 -12.915  -4.476 -11.965
   10    H    ALA   2           H        ALA   2  -6.440  -4.447 -10.166
   11    HA   ALA   2           HA       ALA   2  -6.585  -6.840  -8.556
   12    HB1  ALA   2           HB1      ALA   2  -4.667  -5.328  -8.379
   13    HB2  ALA   2           HB2      ALA   2  -5.732  -4.049  -7.797
   14    HB3  ALA   2           HB3      ALA   2  -5.498  -5.508  -6.834
   15    H    SER   3           H        SER   3  -8.011  -7.296  -6.965
   16    HA   SER   3           HA       SER   3  -9.952  -5.253  -6.165
   17    HB2  SER   3           HB3      SER   3 -10.688  -8.028  -7.130
   18    HG   SER   3           HG       SER   3 -12.051  -6.215  -8.389
   19    H    LEU   4           H        LEU   4 -10.998  -5.676  -4.148
   20    HA   LEU   4           HA       LEU   4  -9.309  -6.809  -2.204
   21    HB2  LEU   4           HB3      LEU   4 -11.178  -6.426  -0.642
   22    HG   LEU   4           HG       LEU   4 -12.746  -5.951  -3.144
   23   HD11  LEU   4          HD11      LEU   4 -13.110  -8.025  -1.972
   24   HD12  LEU   4          HD12      LEU   4 -13.373  -7.162  -0.457
   25   HD13  LEU   4          HD13      LEU   4 -14.522  -6.990  -1.783
   26   HD21  LEU   4          HD21      LEU   4 -12.766  -3.792  -2.035
   27   HD22  LEU   4          HD22      LEU   4 -14.336  -4.579  -1.875
   28   HD23  LEU   4          HD23      LEU   4 -13.217  -4.557  -0.511
   29    H    MET   5           H        MET   5 -11.796  -8.172  -4.168
   30    HA   MET   5           HA       MET   5 -12.637 -10.330  -2.629
   31    HB2  MET   5           HB3      MET   5 -12.217 -10.228  -5.621
   32    HG2  MET   5           HG3      MET   5 -13.740  -8.478  -4.885
   33    HE1  MET   5           HE1      MET   5 -16.110  -7.630  -4.174
   34    HE2  MET   5           HE2      MET   5 -17.015  -8.985  -4.847
   35    HE3  MET   5           HE3      MET   5 -17.240  -8.528  -3.159
   36    H    GLU   6           H        GLU   6  -9.764  -9.967  -4.644
   37    HA   GLU   6           HA       GLU   6  -8.879 -12.617  -4.616
   38    HB2  GLU   6           HB3      GLU   6  -7.915 -10.907  -6.073
   39    HG2  GLU   6           HG3      GLU   6  -5.560 -11.366  -5.851
   40    H    VAL   7           H        VAL   7  -7.615  -9.952  -2.604
   41    HA   VAL   7           HA       VAL   7  -6.202 -11.619  -0.837
   42    HB   VAL   7           HB       VAL   7  -6.066  -9.677   0.652
   43   HG11  VAL   7          HG11      VAL   7  -4.983  -8.127  -0.909
   44   HG12  VAL   7          HG12      VAL   7  -4.557  -9.804  -1.256
   45   HG13  VAL   7          HG13      VAL   7  -5.739  -8.969  -2.263
   46   HG21  VAL   7          HG21      VAL   7  -8.026  -8.396  -1.252
   47   HG22  VAL   7          HG22      VAL   7  -8.353  -8.861   0.416
   48   HG23  VAL   7          HG23      VAL   7  -7.193  -7.578   0.069
   49    H    ARG   8           H        ARG   8  -9.521 -10.608  -0.948
   50    HA   ARG   8           HA       ARG   8 -10.337 -11.003   1.667
   51    HB2  ARG   8           HB3      ARG   8 -11.841 -10.057   0.051
   52    HG2  ARG   8           HG3      ARG   8 -12.924 -12.750   0.851
   53    HD2  ARG   8           HD3      ARG   8 -14.332 -10.192   0.106
   54    HE   ARG   8           HE       ARG   8 -15.293 -12.307   1.658
   55   HH11  ARG   8          HH12      ARG   8 -16.181 -10.500  -1.185
   56   HH12  ARG   8          HH11      ARG   8 -17.882 -10.723  -0.953
   57   HH21  ARG   8          HH21      ARG   8 -17.531 -12.604   1.971
   58   HH22  ARG   8          HH22      ARG   8 -18.650 -11.915   0.844
   59    H    ASP   9           H        ASP   9 -10.562 -13.393  -0.976
   60    HA   ASP   9           HA       ASP   9 -11.190 -15.547   0.760
   61    HB2  ASP   9           HB3      ASP   9 -11.823 -15.568  -1.604
   62    H    MET  10           H        MET  10  -8.195 -14.621  -0.920
   63    HA   MET  10           HA       MET  10  -6.520 -16.661  -0.244
   64    HB2  MET  10           HB3      MET  10  -5.937 -13.701  -0.333
   65    HG2  MET  10           HG3      MET  10  -6.664 -14.755  -2.456
   66    HE1  MET  10           HE1      MET  10  -2.881 -17.372  -2.121
   67    HE2  MET  10           HE2      MET  10  -2.833 -15.619  -2.299
   68    HE3  MET  10           HE3      MET  10  -3.470 -16.338  -0.820
   69    H    LEU  11           H        LEU  11  -7.202 -13.810   1.785
   70    HA   LEU  11           HA       LEU  11  -5.674 -14.894   3.981
   71    HB2  LEU  11           HB3      LEU  11  -7.329 -12.415   3.607
   72    HG   LEU  11           HG       LEU  11  -4.422 -12.741   4.366
   73   HD11  LEU  11          HD11      LEU  11  -4.837 -13.392   2.046
   74   HD12  LEU  11          HD12      LEU  11  -5.655 -11.854   1.761
   75   HD13  LEU  11          HD13      LEU  11  -3.934 -11.881   2.143
   76   HD21  LEU  11          HD21      LEU  11  -4.308 -10.325   4.041
   77   HD22  LEU  11          HD22      LEU  11  -6.040 -10.280   3.714
   78   HD23  LEU  11          HD23      LEU  11  -5.456 -10.742   5.313
   79    H    ALA  12           H        ALA  12  -9.046 -14.666   3.051
   80    HA   ALA  12           HA       ALA  12 -10.303 -15.199   5.457
   81    HB1  ALA  12           HB1      ALA  12 -11.080 -16.152   2.707
   82    HB2  ALA  12           HB2      ALA  12 -12.134 -16.157   4.121
   83    HB3  ALA  12           HB3      ALA  12 -11.549 -14.630   3.464
   84    H    LEU  13           H        LEU  13  -8.453 -17.294   3.419
   85    HA   LEU  13           HA       LEU  13  -9.379 -19.741   4.599
   86    HB2  LEU  13           HB3      LEU  13  -6.927 -19.186   2.928
   87    HG   LEU  13           HG       LEU  13  -9.281 -18.788   1.874
   88   HD11  LEU  13          HD11      LEU  13  -7.201 -18.845   0.623
   89   HD12  LEU  13          HD12      LEU  13  -7.243 -20.607   0.605
   90   HD13  LEU  13          HD13      LEU  13  -8.479 -19.688  -0.253
   91   HD21  LEU  13          HD21      LEU  13  -9.126 -21.800   1.873
   92   HD22  LEU  13          HD22      LEU  13 -10.310 -20.821   2.738
   93   HD23  LEU  13          HD23      LEU  13 -10.290 -20.825   0.974
   94    H    GLN  14           H        GLN  14  -6.956 -17.387   5.328
   95    HA   GLN  14           HA       GLN  14  -5.863 -19.163   7.411
   96    HB2  GLN  14           HB3      GLN  14  -4.501 -16.845   6.027
   97    HG2  GLN  14           HG3      GLN  14  -3.974 -19.803   5.837
   98   HE21  GLN  14          HE22      GLN  14  -3.209 -17.326   3.531
   99   HE22  GLN  14          HE21      GLN  14  -1.490 -17.449   3.662
  100    H    GLY  15           H        GLY  15  -5.848 -15.643   6.835
  101    HA2  GLY  15           HA2      GLY  15  -7.183 -14.125   8.160
  102    HA3  GLY  15           HA3      GLY  15  -7.132 -15.297   9.467
  103    H    ARG  16           H        ARG  16  -6.431 -12.487   9.568
  104    HA   ARG  16           HA       ARG  16  -4.827 -11.106  10.401
  105    HB2  ARG  16           HB3      ARG  16  -3.855 -13.762  11.448
  106    HG2  ARG  16           HG3      ARG  16  -4.551 -12.801  13.633
  107    HD2  ARG  16           HD3      ARG  16  -6.936 -13.147  13.330
  108    HE   ARG  16           HE       ARG  16  -5.056 -15.016  12.331
  109   HH11  ARG  16          HH12      ARG  16  -8.473 -14.365  12.493
  110   HH12  ARG  16          HH11      ARG  16  -8.926 -16.035  12.416
  111   HH21  ARG  16          HH21      ARG  16  -5.639 -17.217  12.226
  112   HH22  ARG  16          HH22      ARG  16  -7.314 -17.658  12.263
  113    H    MET  17           H        MET  17  -4.065 -10.457   8.352
  114    HA   MET  17           HA       MET  17  -1.292 -11.087   7.898
  115    HB2  MET  17           HB3      MET  17  -3.366 -11.766   5.803
  116    HG2  MET  17           HG3      MET  17  -1.285 -13.498   7.119
  117    HE1  MET  17           HE1      MET  17  -1.082 -14.613   3.353
  118    HE2  MET  17           HE2      MET  17  -1.187 -12.970   3.984
  119    HE3  MET  17           HE3      MET  17  -0.150 -14.154   4.778
  120    H    GLU  18           H        GLU  18  -0.556  -9.844   5.807
  121    HA   GLU  18           HA       GLU  18  -1.951  -7.251   5.776
  122    HB2  GLU  18           HB3      GLU  18   0.292  -6.216   5.389
  123    HG2  GLU  18           HG3      GLU  18   1.387  -8.403   4.676
  124    H    ALA  19           H        ALA  19  -2.465  -6.416   3.841
  125    HA   ALA  19           HA       ALA  19  -2.228  -8.028   1.512
  126    HB1  ALA  19           HB1      ALA  19  -3.117  -5.158   1.769
  127    HB2  ALA  19           HB2      ALA  19  -3.362  -6.198   0.365
  128    HB3  ALA  19           HB3      ALA  19  -4.153  -6.580   1.894
  129    H    LYS  20           H        LYS  20  -0.170  -5.674   2.917
  130    HA   LYS  20           HA       LYS  20   1.034  -4.464   0.753
  131    HB2  LYS  20           HB3      LYS  20   3.033  -4.231   2.151
  132    HG2  LYS  20           HG3      LYS  20   1.665  -6.149   4.023
  133    HD2  LYS  20           HD3      LYS  20   2.727  -4.196   5.150
  134    HE2  LYS  20           HE3      LYS  20   4.500  -3.800   3.487
  135    HZ1  LYS  20           HZ1      LYS  20   5.117  -6.102   3.055
  136    HZ2  LYS  20           HZ2      LYS  20   5.746  -6.245   4.620
  137    HZ3  LYS  20           HZ3      LYS  20   6.464  -5.188   3.514
  138    H    GLN  21           H        GLN  21   1.713  -7.656   2.134
  139    HA   GLN  21           HA       GLN  21   3.888  -8.261   0.433
  140    HB2  GLN  21           HB3      GLN  21   1.986 -10.111   1.885
  141    HG2  GLN  21           HG3      GLN  21   3.223  -8.718   3.435
  142   HE21  GLN  21          HE22      GLN  21   5.821 -10.901   2.670
  143   HE22  GLN  21          HE21      GLN  21   7.022  -9.692   2.388
  144    H    LEU  22           H        LEU  22   0.468  -9.261   0.293
  145    HA   LEU  22           HA       LEU  22   0.643 -10.651  -2.134
  146    HB2  LEU  22           HB3      LEU  22  -1.718  -9.214  -0.923
  147    HG   LEU  22           HG       LEU  22  -0.972 -10.969   0.578
  148   HD11  LEU  22          HD11      LEU  22  -3.395 -11.725  -1.046
  149   HD12  LEU  22          HD12      LEU  22  -2.987 -12.406   0.530
  150   HD13  LEU  22          HD13      LEU  22  -3.351 -10.686   0.380
  151   HD21  LEU  22          HD21      LEU  22  -0.882 -13.311  -0.188
  152   HD22  LEU  22          HD22      LEU  22  -1.116 -12.758  -1.847
  153   HD23  LEU  22          HD23      LEU  22   0.340 -12.300  -0.963
  154    H    SER  23           H        SER  23  -0.113  -7.261  -1.451
  155    HA   SER  23           HA       SER  23  -0.712  -6.536  -4.116
  156    HB2  SER  23           HB3      SER  23  -0.408  -4.213  -3.336
  157    HG   SER  23           HG       SER  23   0.886  -3.853  -1.738
  158    H    ALA  24           H        ALA  24   2.267  -6.803  -2.312
  159    HA   ALA  24           HA       ALA  24   3.847  -5.484  -4.340
  160    HB1  ALA  24           HB1      ALA  24   5.755  -6.049  -2.928
  161    HB2  ALA  24           HB2      ALA  24   4.468  -5.305  -1.981
  162    HB3  ALA  24           HB3      ALA  24   4.717  -7.050  -1.911
  163    H    ARG  25           H        ARG  25   3.025  -8.760  -3.395
  164    HA   ARG  25           HA       ARG  25   4.986 -10.168  -4.797
  165    HB2  ARG  25           HB3      ARG  25   3.489 -11.244  -3.195
  166    HG2  ARG  25           HG3      ARG  25   2.859 -13.255  -4.396
  167    HD2  ARG  25           HD3      ARG  25   5.440 -12.103  -5.445
  168    HE   ARG  25           HE       ARG  25   4.345 -14.702  -5.773
  169   HH11  ARG  25          HH12      ARG  25   7.314 -13.008  -5.109
  170   HH12  ARG  25          HH11      ARG  25   8.324 -14.259  -5.755
  171   HH21  ARG  25          HH21      ARG  25   5.667 -16.356  -6.628
  172   HH22  ARG  25          HH22      ARG  25   7.387 -16.159  -6.622
  173    H    LEU  26           H        LEU  26   2.173  -8.484  -5.908
  174    HA   LEU  26           HA       LEU  26   2.740  -9.401  -8.649
  175    HB2  LEU  26           HB3      LEU  26   0.061  -8.557  -7.546
  176    HG   LEU  26           HG       LEU  26   0.532 -10.759  -6.664
  177   HD11  LEU  26          HD11      LEU  26  -1.292 -12.004  -7.666
  178   HD12  LEU  26          HD12      LEU  26  -1.727 -10.304  -7.497
  179   HD13  LEU  26          HD13      LEU  26  -1.268 -10.944  -9.074
  180   HD21  LEU  26          HD21      LEU  26   1.044 -12.640  -8.165
  181   HD22  LEU  26          HD22      LEU  26   1.188 -11.511  -9.512
  182   HD23  LEU  26          HD23      LEU  26   2.319 -11.423  -8.161
  183    H    GLN  27           H        GLN  27   3.434  -6.930  -6.824
  184    HA   GLN  27           HA       GLN  27   3.821  -4.713  -7.125
  185    HB2  GLN  27           HB3      GLN  27   3.368  -5.332 -10.050
  186    HG2  GLN  27           HG3      GLN  27   5.095  -6.797  -9.035
  187   HE21  GLN  27          HE22      GLN  27   7.805  -5.852  -9.502
  188   HE22  GLN  27          HE21      GLN  27   8.300  -5.066  -8.046
  189    H    THR  28           H        THR  28   2.329  -3.392  -6.326
  190    HA   THR  28           HA       THR  28   0.185  -2.441  -7.999
  191    HB   THR  28           HB       THR  28  -0.504  -3.877  -5.427
  192    HG1  THR  28           HG1      THR  28  -1.301  -5.451  -6.701
  193   HG21  THR  28          HG21      THR  28  -2.306  -2.509  -7.427
  194   HG22  THR  28          HG22      THR  28  -1.878  -1.869  -5.840
  195   HG23  THR  28          HG23      THR  28  -2.814  -3.358  -5.969
  196    HA   PRO  29           HA       PRO  29   1.118   1.340  -5.892
  197    HB2  PRO  29           HB3      PRO  29  -1.844   1.724  -6.041
  198    HG2  PRO  29           HG3      PRO  29  -1.882   1.513  -8.365
  199    HD2  PRO  29           HD3      PRO  29  -1.677  -0.699  -7.751
  200    H    GLN  30           H        GLN  30   1.332   1.847  -3.800
  201    HA   GLN  30           HA       GLN  30   0.127   0.210  -1.804
  202    HB2  GLN  30           HB3      GLN  30   1.709   2.747  -1.383
  203    HG2  GLN  30           HG3      GLN  30   2.699  -0.080  -1.675
  204   HE21  GLN  30          HE22      GLN  30   4.877  -0.420  -1.253
  205   HE22  GLN  30          HE21      GLN  30   5.794   0.636  -0.239
  206    HA   PRO  31           HA       PRO  31  -2.105   4.467  -0.716
  207    HB2  PRO  31           HB3      PRO  31  -2.546   5.417  -3.486
  208    HG2  PRO  31           HG3      PRO  31  -0.330   5.889  -3.956
  209    HD2  PRO  31           HD3      PRO  31  -0.251   3.586  -4.072
  210    H    LEU  32           H        LEU  32  -2.621   2.244  -3.309
  211    HA   LEU  32           HA       LEU  32  -5.501   2.596  -3.323
  212    HB2  LEU  32           HB3      LEU  32  -4.158   2.083  -5.381
  213    HG   LEU  32           HG       LEU  32  -5.679   0.588  -6.428
  214   HD11  LEU  32          HD11      LEU  32  -7.042  -0.989  -5.348
  215   HD12  LEU  32          HD12      LEU  32  -5.455  -1.159  -4.598
  216   HD13  LEU  32          HD13      LEU  32  -6.741  -0.288  -3.759
  217   HD21  LEU  32          HD21      LEU  32  -6.617   2.753  -5.768
  218   HD22  LEU  32          HD22      LEU  32  -7.842   1.484  -5.775
  219   HD23  LEU  32          HD23      LEU  32  -7.164   2.048  -4.246
  220    H    ILE  33           H        ILE  33  -3.187   0.034  -2.465
  221    HA   ILE  33           HA       ILE  33  -4.892  -1.946  -1.643
  222    HB   ILE  33           HB       ILE  33  -2.329  -1.175  -0.246
  223   HG12  ILE  33          HG13      ILE  33  -1.922  -1.457  -2.613
  224   HG21  ILE  33          HG21      ILE  33  -3.706  -2.756   1.023
  225   HG22  ILE  33          HG22      ILE  33  -3.764  -3.825  -0.379
  226   HG23  ILE  33          HG23      ILE  33  -2.226  -3.510   0.428
  227   HD11  ILE  33          HD11      ILE  33  -3.910  -2.706  -3.259
  228   HD12  ILE  33          HD12      ILE  33  -2.436  -3.503  -3.809
  229   HD13  ILE  33          HD13      ILE  33  -3.300  -4.121  -2.401
  230    H    ASP  34           H        ASP  34  -3.722   0.779   0.331
  231    HA   ASP  34           HA       ASP  34  -4.859   0.136   2.752
  232    HB2  ASP  34           HB3      ASP  34  -4.939   2.577   3.204
  233    H    ALA  35           H        ALA  35  -6.392   1.538  -0.083
  234    HA   ALA  35           HA       ALA  35  -8.911   1.973   1.238
  235    HB1  ALA  35           HB1      ALA  35  -8.210   3.382  -0.639
  236    HB2  ALA  35           HB2      ALA  35  -8.250   1.977  -1.705
  237    HB3  ALA  35           HB3      ALA  35  -9.741   2.570  -0.972
  238    H    MET  36           H        MET  36  -7.369  -0.587  -0.515
  239    HA   MET  36           HA       MET  36  -9.617  -2.059  -1.323
  240    HB2  MET  36           HB3      MET  36  -7.277  -2.499  -2.059
  241    HG2  MET  36           HG3      MET  36  -8.644  -4.872  -0.813
  242    HE1  MET  36           HE1      MET  36  -5.345  -4.912  -4.042
  243    HE2  MET  36           HE2      MET  36  -6.956  -4.255  -4.322
  244    HE3  MET  36           HE3      MET  36  -5.863  -3.456  -3.192
  245    H    LEU  37           H        LEU  37  -7.554  -2.511   1.543
  246    HA   LEU  37           HA       LEU  37  -9.332  -4.353   2.778
  247    HB2  LEU  37           HB3      LEU  37  -7.010  -2.747   3.831
  248    HG   LEU  37           HG       LEU  37  -7.205  -5.734   3.457
  249   HD11  LEU  37          HD11      LEU  37  -5.638  -5.369   1.560
  250   HD12  LEU  37          HD12      LEU  37  -7.267  -4.755   1.278
  251   HD13  LEU  37          HD13      LEU  37  -5.966  -3.640   1.686
  252   HD21  LEU  37          HD21      LEU  37  -5.654  -4.958   5.198
  253   HD22  LEU  37          HD22      LEU  37  -4.806  -5.684   3.830
  254   HD23  LEU  37          HD23      LEU  37  -4.852  -3.930   4.010
  255    H    GLU  38           H        GLU  38  -8.617  -0.906   3.306
  256    HA   GLU  38           HA       GLU  38 -10.336  -0.411   5.416
  257    HB2  GLU  38           HB3      GLU  38  -8.759   1.259   4.554
  258    HG2  GLU  38           HG3      GLU  38 -11.571   2.304   4.321
  259    H    ARG  39           H        ARG  39 -11.004  -0.473   1.947
  260    HA   ARG  39           HA       ARG  39 -13.685   0.334   2.039
  261    HB2  ARG  39           HB3      ARG  39 -12.433   0.222  -0.051
  262    HG2  ARG  39           HG3      ARG  39 -14.709  -1.744  -0.140
  263    HD2  ARG  39           HD3      ARG  39 -13.342  -1.758  -2.166
  264    HE   ARG  39           HE       ARG  39 -13.334   1.091  -1.889
  265   HH11  ARG  39          HH12      ARG  39 -13.151  -1.534  -4.172
  266   HH12  ARG  39          HH11      ARG  39 -12.297  -0.610  -5.362
  267   HH21  ARG  39          HH21      ARG  39 -12.210   2.315  -3.448
  268   HH22  ARG  39          HH22      ARG  39 -11.763   1.579  -4.952
  269    H    MET  40           H        MET  40 -12.239  -2.912   2.100
  270    HA   MET  40           HA       MET  40 -14.634  -4.358   2.302
  271    HB2  MET  40           HB3      MET  40 -12.475  -5.402   1.756
  272    HG2  MET  40           HG3      MET  40 -13.704  -6.503   4.272
  273    HE1  MET  40           HE1      MET  40 -12.426  -8.148   0.929
  274    HE2  MET  40           HE2      MET  40 -11.184  -6.951   1.300
  275    HE3  MET  40           HE3      MET  40 -10.810  -8.672   1.404
  276    H    GLU  41           H        GLU  41 -12.768  -2.591   4.630
  277    HA   GLU  41           HA       GLU  41 -14.182  -3.700   6.905
  278    HB2  GLU  41           HB3      GLU  41 -12.139  -1.482   6.702
  279    HG2  GLU  41           HG3      GLU  41 -11.304  -3.793   6.260
  280    H    ALA  42           H        ALA  42 -14.458  -1.046   4.726
  281    HA   ALA  42           HA       ALA  42 -15.721   0.906   6.191
  282    HB1  ALA  42           HB1      ALA  42 -16.426   0.056   3.384
  283    HB2  ALA  42           HB2      ALA  42 -16.762   1.624   4.118
  284    HB3  ALA  42           HB3      ALA  42 -15.095   1.128   3.823
  285    H    MET  43           H        MET  43 -16.894  -2.222   5.296
  286    HA   MET  43           HA       MET  43 -19.641  -1.555   6.014
  287    HB2  MET  43           HB3      MET  43 -20.142  -3.877   5.323
  288    HG2  MET  43           HG3      MET  43 -17.231  -4.034   4.581
  289    HE1  MET  43           HE1      MET  43 -20.842  -5.634   4.538
  290    HE2  MET  43           HE2      MET  43 -20.481  -7.241   3.906
  291    HE3  MET  43           HE3      MET  43 -19.884  -6.762   5.495
  292    H    GLY  44           H        GLY  44 -16.810  -3.056   7.318
  293    HA2  GLY  44           HA2      GLY  44 -16.558  -3.304   9.684
  294    HA3  GLY  44           HA3      GLY  44 -18.293  -3.580   9.804
  295    H    LYS  45           H        LYS  45 -15.548  -5.033   8.030
  296    HA   LYS  45           HA       LYS  45 -16.706  -7.647   8.191
  297    HB2  LYS  45           HB3      LYS  45 -15.212  -6.821   6.331
  298    HG2  LYS  45           HG3      LYS  45 -13.984  -8.896   6.003
  299    HD2  LYS  45           HD3      LYS  45 -16.703  -9.332   7.234
  300    HE2  LYS  45           HE3      LYS  45 -15.186 -11.020   5.252
  301    HZ1  LYS  45           HZ1      LYS  45 -17.790 -11.478   6.603
  302    HZ2  LYS  45           HZ2      LYS  45 -17.006 -12.568   5.575
  303    HZ3  LYS  45           HZ3      LYS  45 -17.585 -11.100   4.967
  304    H    VAL  46           H        VAL  46 -13.629  -6.357   9.480
  305    HA   VAL  46           HA       VAL  46 -14.094  -7.673  12.002
  306    HB   VAL  46           HB       VAL  46 -11.640  -8.713  11.700
  307   HG11  VAL  46          HG11      VAL  46 -12.748 -10.874  11.293
  308   HG12  VAL  46          HG12      VAL  46 -13.588  -9.907  12.506
  309   HG13  VAL  46          HG13      VAL  46 -14.230 -10.017  10.869
  310   HG21  VAL  46          HG21      VAL  46 -12.887  -9.047   8.972
  311   HG22  VAL  46          HG22      VAL  46 -11.517  -7.995   9.318
  312   HG23  VAL  46          HG23      VAL  46 -11.366  -9.739   9.534
  313    H    VAL  47           H        VAL  47 -10.827  -7.070  10.837
  314    HA   VAL  47           HA       VAL  47 -10.773  -4.410  11.987
  315    HB   VAL  47           HB       VAL  47 -10.421  -5.875  13.943
  316   HG11  VAL  47          HG11      VAL  47  -9.416  -7.781  12.807
  317   HG12  VAL  47          HG12      VAL  47  -7.983  -6.821  12.439
  318   HG13  VAL  47          HG13      VAL  47  -8.376  -7.212  14.113
  319   HG21  VAL  47          HG21      VAL  47  -9.395  -3.673  13.903
  320   HG22  VAL  47          HG22      VAL  47  -8.344  -4.822  14.730
  321   HG23  VAL  47          HG23      VAL  47  -7.980  -4.324  13.078
  322    H    ARG  48           H        ARG  48  -8.928  -3.207  11.411
  323    HA   ARG  48           HA       ARG  48  -7.083  -4.498   9.526
  324    HB2  ARG  48           HB3      ARG  48  -7.214  -2.426   8.107
  325    HG2  ARG  48           HG3      ARG  48  -9.552  -1.318   8.300
  326    HD2  ARG  48           HD3      ARG  48  -7.334  -0.589  10.210
  327    HE   ARG  48           HE       ARG  48  -9.759   0.802   9.575
  328   HH11  ARG  48          HH12      ARG  48  -6.407   1.167  10.440
  329   HH12  ARG  48          HH11      ARG  48  -6.625   2.736  11.143
  330   HH21  ARG  48          HH21      ARG  48 -10.059   2.864  10.501
  331   HH22  ARG  48          HH22      ARG  48  -8.702   3.699  11.181
  332    H    ILE  49           H        ILE  49  -5.099  -3.261   9.148
  333    HA   ILE  49           HA       ILE  49  -4.452  -1.372  11.302
  334    HB   ILE  49           HB       ILE  49  -2.685  -3.676  10.468
  335   HG12  ILE  49          HG13      ILE  49  -4.159  -3.164  13.061
  336   HG21  ILE  49          HG21      ILE  49  -1.207  -2.916  12.267
  337   HG22  ILE  49          HG22      ILE  49  -1.408  -1.680  11.025
  338   HG23  ILE  49          HG23      ILE  49  -2.273  -1.539  12.555
  339   HD11  ILE  49          HD11      ILE  49  -2.461  -5.515  12.267
  340   HD12  ILE  49          HD12      ILE  49  -2.038  -4.292  13.465
  341   HD13  ILE  49          HD13      ILE  49  -3.409  -5.365  13.746
  342    H    SER  50           H        SER  50  -4.333   0.408  10.011
  343    HA   SER  50           HA       SER  50  -2.927   0.351   7.495
  344    HB2  SER  50           HB3      SER  50  -3.520   2.726   7.345
  345    HG   SER  50           HG       SER  50  -4.188   2.338  10.046
  346    H    GLU  51           H        GLU  51  -0.814   0.499   7.312
  347    HA   GLU  51           HA       GLU  51   0.655   2.181   9.228
  348    HB2  GLU  51           HB3      GLU  51   1.010  -0.183   9.788
  349    HG2  GLU  51           HG3      GLU  51   3.435  -0.316   9.649
  350    H    THR  52           H        THR  52   2.593   3.132   8.429
  351    HA   THR  52           HA       THR  52   2.813   3.172   5.492
  352    HB   THR  52           HB       THR  52   1.745   5.240   6.158
  353    HG1  THR  52           HG1      THR  52   4.506   5.671   5.590
  354   HG21  THR  52          HG21      THR  52   4.106   5.612   8.004
  355   HG22  THR  52          HG22      THR  52   2.434   5.328   8.488
  356   HG23  THR  52          HG23      THR  52   2.873   6.827   7.670
  357    H    SER  53           H        SER  53   4.885   3.490   4.633
  358    HA   SER  53           HA       SER  53   7.028   2.634   6.403
  359    HB2  SER  53           HB3      SER  53   6.791   1.501   4.249
  360    HG   SER  53           HG       SER  53   8.944   1.911   3.463
  361    H    GLU  54           H        GLU  54   8.289   4.053   7.389
  362    HA   GLU  54           HA       GLU  54   8.553   6.749   6.262
  363    HB2  GLU  54           HB3      GLU  54   7.742   6.707   8.540
  364    HG2  GLU  54           HG3      GLU  54   9.421   7.987   9.739
  365    H    GLY  55           H        GLY  55  10.445   4.023   7.482
  366    HA2  GLY  55           HA2      GLY  55  12.490   3.782   5.908
  367    HA3  GLY  55           HA3      GLY  55  12.909   5.351   6.581
  368    H    CYS  56           H        CYS  56  13.674   5.495   8.683
  369    HA   CYS  56           HA       CYS  56  15.104   3.292   9.667
  370    HB2  CYS  56           HB3      CYS  56  15.740   5.608  10.159
  371    HG   CYS  56           HG       CYS  56  15.928   3.225  12.258
  372    H    LEU  57           H        LEU  57  12.248   4.895  11.076
  373    HA   LEU  57           HA       LEU  57  10.591   4.145  12.434
  374    HB2  LEU  57           HB3      LEU  57  10.120   2.652  10.574
  375    HG   LEU  57           HG       LEU  57   9.943   1.062  13.137
  376   HD11  LEU  57          HD11      LEU  57   7.700   2.028  13.340
  377   HD12  LEU  57          HD12      LEU  57   8.956   3.263  13.422
  378   HD13  LEU  57          HD13      LEU  57   8.020   3.052  11.942
  379   HD21  LEU  57          HD21      LEU  57   8.051  -0.026  12.035
  380   HD22  LEU  57          HD22      LEU  57   8.366   0.909  10.573
  381   HD23  LEU  57          HD23      LEU  57   9.549  -0.270  11.137
  382    H    SER  58           H        SER  58  11.044   4.324  14.525
  383    HA   SER  58           HA       SER  58  13.014   2.540  15.745
  384    HB2  SER  58           HB3      SER  58  12.888   4.074  17.678
  385    HG   SER  58           HG       SER  58  11.344   5.489  17.835
  386    H    GLY  59           H        GLY  59  10.184   1.799  14.960
  387    HA2  GLY  59           HA2      GLY  59   8.808   0.143  15.859
  388    HA3  GLY  59           HA3      GLY  59   9.577   0.386  17.420
  389    H    SER  60           H        SER  60   8.391   3.150  15.715
  390    HA   SER  60           HA       SER  60   6.724   3.953  17.832
  391    HB2  SER  60           HB3      SER  60   6.716   4.863  14.944
  392    HG   SER  60           HG       SER  60   8.235   6.257  15.532
  393    H    CYS  61           H        CYS  61   6.086   2.187  14.865
  394    HA   CYS  61           HA       CYS  61   4.286   0.991  14.156
  395    HB2  CYS  61           HB3      CYS  61   4.355  -0.073  16.338
  396    HG   CYS  61           HG       CYS  61   1.053   0.528  16.305
  397    H    LYS  62           H        LYS  62   2.623   2.963  16.598
  398    HA   LYS  62           HA       LYS  62   0.752   3.863  14.568
  399    HB2  LYS  62           HB3      LYS  62  -0.168   3.114  16.679
  400    HG2  LYS  62           HG3      LYS  62  -0.378   6.114  16.532
  401    HD2  LYS  62           HD3      LYS  62  -2.278   4.080  17.689
  402    HE2  LYS  62           HE3      LYS  62  -3.452   6.056  18.544
  403    HZ1  LYS  62           HZ1      LYS  62  -4.377   6.815  16.460
  404    HZ2  LYS  62           HZ2      LYS  62  -4.138   5.141  16.403
  405    HZ3  LYS  62           HZ3      LYS  62  -3.068   6.177  15.602
  406    H    SER  63           H        SER  63   0.767   5.809  13.640
  407    HA   SER  63           HA       SER  63   2.477   7.898  14.820
  408    HB2  SER  63           HB3      SER  63   2.067   7.314  11.877
  409    HG   SER  63           HG       SER  63   4.551   7.183  12.338
  410    H    CYS  64           H        CYS  64   1.903  10.122  13.877
  411    HA   CYS  64           HA       CYS  64  -0.815  10.653  14.502
  412    HB2  CYS  64           HB3      CYS  64   1.267  12.449  13.241
  413    HG   CYS  64           HG       CYS  64   1.808  11.276  15.958
  414    HA   PRO  65           HA       PRO  65  -2.971  10.380  10.681
  415    HB2  PRO  65           HB3      PRO  65  -3.965  13.146  11.080
  416    HG2  PRO  65           HG3      PRO  65  -4.675  12.845  13.269
  417    HD2  PRO  65           HD3      PRO  65  -2.383  12.981  13.569
  418    H    GLU  66           H        GLU  66  -1.007  13.205  11.284
  419    HA   GLU  66           HA       GLU  66   0.359  14.425   9.934
  420    HB2  GLU  66           HB3      GLU  66   0.962  12.210   8.970
  421    HG2  GLU  66           HG3      GLU  66   1.856  12.958   6.852
  422    H    GLY  67           H        GLY  67  -2.262  13.266   7.791
  423    HA2  GLY  67           HA2      GLY  67  -4.101  14.951   7.462
  424    HA3  GLY  67           HA3      GLY  67  -2.806  16.097   7.145
  425    H    LYS  68           H        LYS  68  -1.204  14.147   5.670
  426    HA   LYS  68           HA       LYS  68  -2.711  14.251   3.155
  427    HB2  LYS  68           HB3      LYS  68   0.261  13.903   3.594
  428    HG2  LYS  68           HG3      LYS  68  -0.492  16.144   4.264
  429    HD2  LYS  68           HD3      LYS  68  -1.460  16.353   1.415
  430    HE2  LYS  68           HE3      LYS  68  -1.528  18.354   3.670
  431    HZ1  LYS  68           HZ1      LYS  68  -3.412  18.521   2.149
  432    HZ2  LYS  68           HZ2      LYS  68  -2.357  18.628   0.831
  433    HZ3  LYS  68           HZ3      LYS  68  -2.380  19.853   1.997
  434    H    ALA  69           H        ALA  69  -3.028  12.467   1.890
  435    HA   ALA  69           HA       ALA  69  -3.284   9.972   3.067
  436    HB1  ALA  69           HB1      ALA  69  -4.451  10.641   1.020
  437    HB2  ALA  69           HB2      ALA  69  -2.929  10.570   0.133
  438    HB3  ALA  69           HB3      ALA  69  -3.617   9.099   0.819
  439    H    ALA  70           H        ALA  70  -0.954  10.648   0.457
  440    HA   ALA  70           HA       ALA  70   1.138   9.857   0.036
  441    HB1  ALA  70           HB1      ALA  70   2.632   9.491   1.928
  442    HB2  ALA  70           HB2      ALA  70   1.683  10.960   2.149
  443    HB3  ALA  70           HB3      ALA  70   1.253   9.494   3.029
  444    H    CYS  71           H        CYS  71   2.467   7.893  -0.011
  445    HA   CYS  71           HA       CYS  71   1.034   5.603  -0.561
  446    HB2  CYS  71           HB3      CYS  71   3.182   4.405  -0.468
  447    HG   CYS  71           HG       CYS  71   5.582   5.211   0.401
  448    H    ARG  72           H        ARG  72  -0.264   4.536   0.789
  449    HA   ARG  72           HA       ARG  72   0.833   3.667   3.362
  450    HB2  ARG  72           HB3      ARG  72  -1.155   4.255   4.576
  451    HG2  ARG  72           HG3      ARG  72  -2.285   5.592   2.140
  452    HD2  ARG  72           HD3      ARG  72  -4.323   5.632   3.434
  453    HE   ARG  72           HE       ARG  72  -2.032   6.997   4.367
  454   HH11  ARG  72          HH12      ARG  72  -5.303   6.213   5.272
  455   HH12  ARG  72          HH11      ARG  72  -5.501   7.618   6.267
  456   HH21  ARG  72          HH21      ARG  72  -2.286   8.852   5.673
  457   HH22  ARG  72          HH22      ARG  72  -3.789   9.119   6.490
  458    H    GLN  73           H        GLN  73   0.159   1.671   4.047
  459    HA   GLN  73           HA       GLN  73  -1.934   0.291   2.541
  460    HB2  GLN  73           HB3      GLN  73  -0.426  -1.723   2.354
  461    HG2  GLN  73           HG3      GLN  73   1.678   0.310   3.046
  462   HE21  GLN  73          HE22      GLN  73   3.440  -1.944   3.597
  463   HE22  GLN  73          HE21      GLN  73   4.038  -2.472   2.065
  464    H    GLU  74           H        GLU  74  -3.197  -0.917   3.832
  465    HA   GLU  74           HA       GLU  74  -2.322  -1.260   6.615
  466    HB2  GLU  74           HB3      GLU  74  -4.687  -1.490   7.170
  467    HG2  GLU  74           HG3      GLU  74  -5.194  -1.068   4.235
  468    H    TRP  75           H        TRP  75  -3.411  -3.208   7.710
  469    HA   TRP  75           HA       TRP  75  -3.004  -5.571   5.997
  470    HB2  TRP  75           HB3      TRP  75  -2.710  -5.567   8.996
  471    HD1  TRP  75           HD1      TRP  75  -0.806  -4.340   5.919
  472    HE1  TRP  75           HE1      TRP  75   1.423  -3.305   6.689
  473    HE3  TRP  75           HE3      TRP  75  -0.950  -5.678  10.851
  474    HZ2  TRP  75           HZ2      TRP  75   2.921  -3.088   9.072
  475    HZ3  TRP  75           HZ3      TRP  75   0.920  -5.019  12.309
  476    HH2  TRP  75           HH2      TRP  75   2.815  -3.751  11.435
  477    H    TRP  76           H        TRP  76  -4.446  -7.296   6.177
  478    HA   TRP  76           HA       TRP  76  -7.007  -6.595   7.423
  479    HB2  TRP  76           HB3      TRP  76  -6.926  -7.158   4.972
  480    HD1  TRP  76           HD1      TRP  76  -9.368  -6.373   6.332
  481    HE1  TRP  76           HE1      TRP  76 -11.541  -7.752   6.421
  482    HE3  TRP  76           HE3      TRP  76  -7.443 -10.994   5.292
  483    HZ2  TRP  76           HZ2      TRP  76 -12.332 -10.441   6.091
  484    HZ3  TRP  76           HZ3      TRP  76  -8.975 -12.917   5.197
  485    HH2  TRP  76           HH2      TRP  76 -11.370 -12.644   5.588
  486    H    ALA  77           H        ALA  77  -7.771  -7.670   9.133
  487    HA   ALA  77           HA       ALA  77  -6.754 -10.340   9.738
  488    HB1  ALA  77           HB1      ALA  77  -6.233  -9.765  12.048
  489    HB2  ALA  77           HB2      ALA  77  -5.260  -8.809  10.929
  490    HB3  ALA  77           HB3      ALA  77  -6.651  -8.081  11.734
  491    H    LEU  78           H        LEU  78  -8.130 -11.605  10.975
  492    HA   LEU  78           HA       LEU  78 -10.841 -10.518  11.282
  493    HB2  LEU  78           HB3      LEU  78  -9.943 -13.397  11.135
  494    HG   LEU  78           HG       LEU  78 -11.263 -11.686   9.032
  495   HD11  LEU  78          HD11      LEU  78  -8.973 -11.409   8.796
  496   HD12  LEU  78          HD12      LEU  78  -8.623 -13.066   9.290
  497   HD13  LEU  78          HD13      LEU  78  -9.323 -12.749   7.705
  498   HD21  LEU  78          HD21      LEU  78 -12.433 -13.789   9.128
  499   HD22  LEU  78          HD22      LEU  78 -11.379 -13.778   7.714
  500   HD23  LEU  78          HD23      LEU  78 -10.908 -14.676   9.158
  501    H    ARG  79           H        ARG  79 -12.040 -12.070  13.030
  502    HA   ARG  79           HA       ARG  79 -11.022 -11.224  15.531
  503    HB2  ARG  79           HB3      ARG  79 -13.157 -13.287  14.963
  504    HG2  ARG  79           HG3      ARG  79 -13.803 -11.215  13.930
  505    HD2  ARG  79           HD3      ARG  79 -13.255  -9.956  16.613
  506    HE   ARG  79           HE       ARG  79 -15.001  -9.068  14.618
  507   HH11  ARG  79          HH12      ARG  79 -12.306  -7.899  16.489
  508   HH12  ARG  79          HH11      ARG  79 -12.829  -6.248  16.450
  509   HH21  ARG  79          HH21      ARG  79 -15.699  -6.896  14.562
  510   HH22  ARG  79          HH22      ARG  79 -14.756  -5.677  15.355
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -4.068  -5.765 -12.575
    2    H2   MET   1           H2       MET   1  -3.497  -4.696 -11.394
    3    H3   MET   1           H3       MET   1  -4.072  -4.098 -12.868
    4    HA   MET   1           HA       MET   1  -5.687  -3.755 -11.120
    5    HB2  MET   1           HB3      MET   1  -7.603  -4.760 -12.245
    6    HG2  MET   1           HG3      MET   1  -5.595  -6.409 -13.765
    7    HE1  MET   1           HE1      MET   1  -7.923  -5.092 -16.631
    8    HE2  MET   1           HE2      MET   1  -7.255  -4.188 -15.272
    9    HE3  MET   1           HE3      MET   1  -6.254  -5.360 -16.127
   10    H    ALA   2           H        ALA   2  -6.633  -4.442  -9.285
   11    HA   ALA   2           HA       ALA   2  -7.036  -7.214  -8.686
   12    HB1  ALA   2           HB1      ALA   2  -5.549  -7.354  -6.763
   13    HB2  ALA   2           HB2      ALA   2  -4.633  -7.042  -8.238
   14    HB3  ALA   2           HB3      ALA   2  -4.943  -5.732  -7.097
   15    H    SER   3           H        SER   3  -8.851  -7.298  -7.551
   16    HA   SER   3           HA       SER   3  -9.698  -4.921  -6.061
   17    HB2  SER   3           HB3      SER   3 -11.278  -7.350  -6.941
   18    HG   SER   3           HG       SER   3 -10.622  -5.839  -8.606
   19    H    LEU   4           H        LEU   4 -11.196  -5.585  -4.107
   20    HA   LEU   4           HA       LEU   4  -9.480  -6.811  -2.199
   21    HB2  LEU   4           HB3      LEU   4 -11.340  -6.448  -0.618
   22    HG   LEU   4           HG       LEU   4 -12.859  -5.608  -3.073
   23   HD11  LEU   4          HD11      LEU   4 -13.394  -7.808  -2.466
   24   HD12  LEU   4          HD12      LEU   4 -13.377  -7.429  -0.745
   25   HD13  LEU   4          HD13      LEU   4 -14.679  -6.825  -1.769
   26   HD21  LEU   4          HD21      LEU   4 -12.856  -3.714  -1.525
   27   HD22  LEU   4          HD22      LEU   4 -14.447  -4.465  -1.625
   28   HD23  LEU   4          HD23      LEU   4 -13.414  -4.773  -0.230
   29    H    MET   5           H        MET   5 -11.790  -8.076  -4.358
   30    HA   MET   5           HA       MET   5 -12.891 -10.188  -2.928
   31    HB2  MET   5           HB3      MET   5 -12.143 -10.060  -5.853
   32    HG2  MET   5           HG3      MET   5 -14.772  -9.545  -4.483
   33    HE1  MET   5           HE1      MET   5 -12.696  -9.819  -7.805
   34    HE2  MET   5           HE2      MET   5 -13.891  -9.329  -9.006
   35    HE3  MET   5           HE3      MET   5 -13.281  -8.155  -7.841
   36    H    GLU   6           H        GLU   6  -9.832 -10.020  -4.710
   37    HA   GLU   6           HA       GLU   6  -9.107 -12.720  -4.406
   38    HB2  GLU   6           HB3      GLU   6  -7.340 -10.288  -4.691
   39    HG2  GLU   6           HG3      GLU   6  -8.315 -12.191  -6.810
   40    H    VAL   7           H        VAL   7  -7.741  -9.914  -2.665
   41    HA   VAL   7           HA       VAL   7  -6.410 -11.402  -0.710
   42    HB   VAL   7           HB       VAL   7  -7.533  -8.613  -0.409
   43   HG11  VAL   7          HG11      VAL   7  -5.768  -8.322   1.259
   44   HG12  VAL   7          HG12      VAL   7  -6.878  -9.617   1.713
   45   HG13  VAL   7          HG13      VAL   7  -5.291 -10.006   1.048
   46   HG21  VAL   7          HG21      VAL   7  -6.131  -8.772  -2.386
   47   HG22  VAL   7          HG22      VAL   7  -5.304  -7.860  -1.123
   48   HG23  VAL   7          HG23      VAL   7  -4.852  -9.535  -1.441
   49    H    ARG   8           H        ARG   8  -9.733 -10.482  -1.004
   50    HA   ARG   8           HA       ARG   8 -10.563 -10.710   1.661
   51    HB2  ARG   8           HB3      ARG   8 -12.037  -9.727   0.064
   52    HG2  ARG   8           HG3      ARG   8 -13.213 -12.408   0.767
   53    HD2  ARG   8           HD3      ARG   8 -14.564  -9.783   0.160
   54    HE   ARG   8           HE       ARG   8 -15.575 -12.098   1.404
   55   HH11  ARG   8          HH12      ARG   8 -16.360  -9.803  -1.092
   56   HH12  ARG   8          HH11      ARG   8 -18.072 -10.006  -0.924
   57   HH21  ARG   8          HH21      ARG   8 -17.828 -12.376   1.636
   58   HH22  ARG   8          HH22      ARG   8 -18.907 -11.469   0.628
   59    H    ASP   9           H        ASP   9 -10.824 -13.134  -0.945
   60    HA   ASP   9           HA       ASP   9 -11.555 -15.228   0.839
   61    HB2  ASP   9           HB3      ASP   9 -12.230 -15.234  -1.521
   62    H    MET  10           H        MET  10  -8.566 -14.550  -0.976
   63    HA   MET  10           HA       MET  10  -7.014 -16.669  -0.258
   64    HB2  MET  10           HB3      MET  10  -6.177 -13.776  -0.480
   65    HG2  MET  10           HG3      MET  10  -7.167 -14.706  -2.530
   66    HE1  MET  10           HE1      MET  10  -5.893 -17.435  -5.034
   67    HE2  MET  10           HE2      MET  10  -7.130 -16.216  -4.730
   68    HE3  MET  10           HE3      MET  10  -5.449 -15.731  -4.942
   69    H    LEU  11           H        LEU  11  -7.446 -13.698   1.658
   70    HA   LEU  11           HA       LEU  11  -5.867 -14.752   3.830
   71    HB2  LEU  11           HB3      LEU  11  -7.430 -12.221   3.421
   72    HG   LEU  11           HG       LEU  11  -4.503 -12.639   4.044
   73   HD11  LEU  11          HD11      LEU  11  -5.836 -11.837   1.462
   74   HD12  LEU  11          HD12      LEU  11  -4.099 -11.901   1.758
   75   HD13  LEU  11          HD13      LEU  11  -5.051 -13.383   1.786
   76   HD21  LEU  11          HD21      LEU  11  -6.089 -10.155   3.407
   77   HD22  LEU  11          HD22      LEU  11  -5.340 -10.561   4.952
   78   HD23  LEU  11          HD23      LEU  11  -4.331 -10.235   3.541
   79    H    ALA  12           H        ALA  12  -9.279 -14.335   3.087
   80    HA   ALA  12           HA       ALA  12 -10.381 -14.767   5.600
   81    HB1  ALA  12           HB1      ALA  12 -12.380 -15.612   4.361
   82    HB2  ALA  12           HB2      ALA  12 -11.776 -14.053   3.801
   83    HB3  ALA  12           HB3      ALA  12 -11.430 -15.517   2.878
   84    H    LEU  13           H        LEU  13  -8.790 -16.978   3.486
   85    HA   LEU  13           HA       LEU  13  -9.901 -19.364   4.622
   86    HB2  LEU  13           HB3      LEU  13  -7.431 -18.956   2.935
   87    HG   LEU  13           HG       LEU  13  -9.802 -18.441   1.934
   88   HD11  LEU  13          HD11      LEU  13  -9.056 -19.336  -0.227
   89   HD12  LEU  13          HD12      LEU  13  -7.762 -18.505   0.638
   90   HD13  LEU  13          HD13      LEU  13  -7.810 -20.268   0.604
   91   HD21  LEU  13          HD21      LEU  13 -10.845 -20.453   0.975
   92   HD22  LEU  13          HD22      LEU  13  -9.727 -21.455   1.899
   93   HD23  LEU  13          HD23      LEU  13 -10.902 -20.442   2.737
   94    H    GLN  14           H        GLN  14  -7.310 -17.226   5.414
   95    HA   GLN  14           HA       GLN  14  -6.296 -19.163   7.388
   96    HB2  GLN  14           HB3      GLN  14  -4.907 -16.767   6.177
   97    HG2  GLN  14           HG3      GLN  14  -4.318 -19.701   5.852
   98   HE21  GLN  14          HE22      GLN  14  -2.146 -19.481   6.350
   99   HE22  GLN  14          HE21      GLN  14  -1.049 -18.614   5.334
  100    H    GLY  15           H        GLY  15  -6.375 -15.607   7.058
  101    HA2  GLY  15           HA2      GLY  15  -8.031 -14.581   8.734
  102    HA3  GLY  15           HA3      GLY  15  -7.079 -15.467   9.916
  103    H    ARG  16           H        ARG  16  -5.540 -14.348  10.899
  104    HA   ARG  16           HA       ARG  16  -4.978 -11.682  10.416
  105    HB2  ARG  16           HB3      ARG  16  -3.413 -13.828  11.830
  106    HG2  ARG  16           HG3      ARG  16  -3.930 -12.488  13.829
  107    HD2  ARG  16           HD3      ARG  16  -6.393 -13.227  12.257
  108    HE   ARG  16           HE       ARG  16  -6.291 -12.218  14.794
  109   HH11  ARG  16          HH12      ARG  16  -7.237 -15.258  13.384
  110   HH12  ARG  16          HH11      ARG  16  -8.423 -15.600  14.599
  111   HH21  ARG  16          HH21      ARG  16  -7.849 -12.660  16.400
  112   HH22  ARG  16          HH22      ARG  16  -8.770 -14.123  16.315
  113    H    MET  17           H        MET  17  -4.225 -10.872   8.568
  114    HA   MET  17           HA       MET  17  -1.619 -11.651   7.629
  115    HB2  MET  17           HB3      MET  17  -4.026 -12.047   5.841
  116    HG2  MET  17           HG3      MET  17  -2.000 -14.020   6.870
  117    HE1  MET  17           HE1      MET  17  -2.143 -14.970   3.067
  118    HE2  MET  17           HE2      MET  17  -2.083 -13.350   3.764
  119    HE3  MET  17           HE3      MET  17  -1.089 -14.640   4.443
  120    H    GLU  18           H        GLU  18  -1.138 -10.356   5.504
  121    HA   GLU  18           HA       GLU  18  -2.494  -7.759   5.547
  122    HB2  GLU  18           HB3      GLU  18  -0.302  -6.599   5.505
  123    HG2  GLU  18           HG3      GLU  18   0.815  -9.305   6.202
  124    H    ALA  19           H        ALA  19  -2.480  -6.648   3.609
  125    HA   ALA  19           HA       ALA  19  -2.007  -8.255   1.268
  126    HB1  ALA  19           HB1      ALA  19  -3.006  -6.402   0.042
  127    HB2  ALA  19           HB2      ALA  19  -3.988  -6.833   1.442
  128    HB3  ALA  19           HB3      ALA  19  -2.956  -5.404   1.494
  129    H    LYS  20           H        LYS  20  -0.232  -5.908   3.029
  130    HA   LYS  20           HA       LYS  20   1.254  -4.553   1.183
  131    HB2  LYS  20           HB3      LYS  20   1.549  -4.097   3.506
  132    HG2  LYS  20           HG3      LYS  20   4.134  -5.338   2.591
  133    HD2  LYS  20           HD3      LYS  20   3.591  -3.081   4.522
  134    HE2  LYS  20           HE3      LYS  20   5.990  -3.257   5.009
  135    HZ1  LYS  20           HZ1      LYS  20   5.425  -2.810   2.127
  136    HZ2  LYS  20           HZ2      LYS  20   6.822  -2.310   2.940
  137    HZ3  LYS  20           HZ3      LYS  20   5.321  -1.648   3.351
  138    H    GLN  21           H        GLN  21   1.773  -7.875   2.290
  139    HA   GLN  21           HA       GLN  21   4.188  -8.289   0.891
  140    HB2  GLN  21           HB3      GLN  21   2.103 -10.259   1.848
  141    HG2  GLN  21           HG3      GLN  21   3.251  -8.974   3.628
  142   HE21  GLN  21          HE22      GLN  21   5.599 -11.487   3.177
  143   HE22  GLN  21          HE21      GLN  21   6.987 -10.461   3.108
  144    H    LEU  22           H        LEU  22   0.889  -9.419   0.119
  145    HA   LEU  22           HA       LEU  22   1.593 -10.345  -2.462
  146    HB2  LEU  22           HB3      LEU  22  -0.849 -10.486  -2.842
  147    HG   LEU  22           HG       LEU  22  -1.020  -9.102  -0.182
  148   HD11  LEU  22          HD11      LEU  22  -1.386  -7.594  -1.926
  149   HD12  LEU  22          HD12      LEU  22  -2.288  -8.772  -2.878
  150   HD13  LEU  22          HD13      LEU  22  -3.006  -8.074  -1.426
  151   HD21  LEU  22          HD21      LEU  22  -3.089 -10.923  -1.405
  152   HD22  LEU  22          HD22      LEU  22  -2.162 -11.246   0.061
  153   HD23  LEU  22          HD23      LEU  22  -3.313  -9.910   0.022
  154    H    SER  23           H        SER  23   0.907  -7.207  -1.255
  155    HA   SER  23           HA       SER  23  -0.084  -6.066  -3.669
  156    HB2  SER  23           HB3      SER  23   0.293  -3.909  -2.589
  157    HG   SER  23           HG       SER  23   2.136  -3.982  -1.492
  158    H    ALA  24           H        ALA  24   3.082  -5.688  -2.054
  159    HA   ALA  24           HA       ALA  24   4.306  -4.478  -4.307
  160    HB1  ALA  24           HB1      ALA  24   6.401  -4.771  -3.090
  161    HB2  ALA  24           HB2      ALA  24   5.136  -4.141  -2.036
  162    HB3  ALA  24           HB3      ALA  24   5.594  -5.840  -1.944
  163    H    ARG  25           H        ARG  25   3.728  -7.761  -3.406
  164    HA   ARG  25           HA       ARG  25   5.767  -9.093  -4.752
  165    HB2  ARG  25           HB3      ARG  25   4.183 -10.203  -3.240
  166    HG2  ARG  25           HG3      ARG  25   3.668 -12.219  -4.525
  167    HD2  ARG  25           HD3      ARG  25   6.352 -11.071  -5.279
  168    HE   ARG  25           HE       ARG  25   5.411 -13.521  -5.947
  169   HH11  ARG  25          HH12      ARG  25   7.871 -12.411  -3.748
  170   HH12  ARG  25          HH11      ARG  25   8.841 -13.836  -3.908
  171   HH21  ARG  25          HH21      ARG  25   6.681 -15.403  -6.166
  172   HH22  ARG  25          HH22      ARG  25   8.166 -15.537  -5.284
  173    H    LEU  26           H        LEU  26   2.916  -7.513  -5.986
  174    HA   LEU  26           HA       LEU  26   3.660  -8.381  -8.701
  175    HB2  LEU  26           HB3      LEU  26   0.933  -7.746  -7.582
  176    HG   LEU  26           HG       LEU  26   0.347  -9.990  -8.568
  177   HD11  LEU  26          HD11      LEU  26   2.142 -11.577  -8.951
  178   HD12  LEU  26          HD12      LEU  26   2.294 -10.198 -10.038
  179   HD13  LEU  26          HD13      LEU  26   3.342 -10.325  -8.627
  180   HD21  LEU  26          HD21      LEU  26   2.405 -10.179  -6.384
  181   HD22  LEU  26          HD22      LEU  26   0.794  -9.513  -6.125
  182   HD23  LEU  26          HD23      LEU  26   0.984 -11.190  -6.635
  183    H    GLN  27           H        GLN  27   4.193  -5.895  -6.842
  184    HA   GLN  27           HA       GLN  27   4.626  -3.687  -7.179
  185    HB2  GLN  27           HB3      GLN  27   4.106  -4.318 -10.088
  186    HG2  GLN  27           HG3      GLN  27   6.729  -4.266  -8.615
  187   HE21  GLN  27          HE22      GLN  27   5.816  -6.161 -11.379
  188   HE22  GLN  27          HE21      GLN  27   6.862  -5.385 -12.512
  189    H    THR  28           H        THR  28   1.766  -4.842  -7.012
  190    HA   THR  28           HA       THR  28   0.051  -3.104  -8.426
  191    HB   THR  28           HB       THR  28  -0.487  -4.543  -5.820
  192    HG1  THR  28           HG1      THR  28  -1.180  -6.223  -7.099
  193   HG21  THR  28          HG21      THR  28  -2.406  -3.494  -7.903
  194   HG22  THR  28          HG22      THR  28  -2.106  -2.753  -6.330
  195   HG23  THR  28          HG23      THR  28  -2.836  -4.356  -6.426
  196    HA   PRO  29           HA       PRO  29   0.483   0.827  -6.449
  197    HB2  PRO  29           HB3      PRO  29  -2.506   0.769  -6.506
  198    HG2  PRO  29           HG3      PRO  29  -2.588   0.486  -8.814
  199    HD2  PRO  29           HD3      PRO  29  -1.980  -1.648  -8.252
  200    H    GLN  30           H        GLN  30   0.981   1.016  -4.368
  201    HA   GLN  30           HA       GLN  30  -0.255  -0.552  -2.338
  202    HB2  GLN  30           HB3      GLN  30   1.628   1.795  -2.055
  203    HG2  GLN  30           HG3      GLN  30   2.223  -1.155  -2.082
  204   HE21  GLN  30          HE22      GLN  30   4.358  -1.718  -1.703
  205   HE22  GLN  30          HE21      GLN  30   5.462  -0.664  -0.893
  206    HA   PRO  31           HA       PRO  31  -1.948   3.960  -1.077
  207    HB2  PRO  31           HB3      PRO  31  -2.653   4.674  -3.884
  208    HG2  PRO  31           HG3      PRO  31  -0.456   5.114  -4.506
  209    HD2  PRO  31           HD3      PRO  31  -0.378   2.815  -4.499
  210    H    LEU  32           H        LEU  32  -2.975   1.800  -3.624
  211    HA   LEU  32           HA       LEU  32  -5.790   2.218  -3.121
  212    HB2  LEU  32           HB3      LEU  32  -4.748   1.638  -5.369
  213    HG   LEU  32           HG       LEU  32  -6.560   0.396  -6.209
  214   HD11  LEU  32          HD11      LEU  32  -7.891  -1.130  -5.013
  215   HD12  LEU  32          HD12      LEU  32  -6.225  -1.497  -4.565
  216   HD13  LEU  32          HD13      LEU  32  -7.259  -0.591  -3.460
  217   HD21  LEU  32          HD21      LEU  32  -7.185   2.579  -5.264
  218   HD22  LEU  32          HD22      LEU  32  -8.508   1.417  -5.196
  219   HD23  LEU  32          HD23      LEU  32  -7.586   1.788  -3.740
  220    H    ILE  33           H        ILE  33  -3.350  -0.248  -2.452
  221    HA   ILE  33           HA       ILE  33  -4.859  -2.307  -1.457
  222    HB   ILE  33           HB       ILE  33  -2.273  -1.310  -0.253
  223   HG12  ILE  33          HG13      ILE  33  -2.067  -1.685  -2.664
  224   HG21  ILE  33          HG21      ILE  33  -3.574  -4.029  -0.163
  225   HG22  ILE  33          HG22      ILE  33  -1.974  -3.638   0.465
  226   HG23  ILE  33          HG23      ILE  33  -3.407  -2.906   1.185
  227   HD11  ILE  33          HD11      ILE  33  -3.900  -3.240  -3.035
  228   HD12  ILE  33          HD12      ILE  33  -2.376  -3.887  -3.642
  229   HD13  ILE  33          HD13      ILE  33  -3.041  -4.477  -2.120
  230    H    ASP  34           H        ASP  34  -3.712   0.531   0.365
  231    HA   ASP  34           HA       ASP  34  -4.783  -0.152   2.839
  232    HB2  ASP  34           HB3      ASP  34  -3.204   1.707   2.516
  233    H    ALA  35           H        ALA  35  -6.249   1.602   0.139
  234    HA   ALA  35           HA       ALA  35  -8.719   2.064   1.513
  235    HB1  ALA  35           HB1      ALA  35  -8.135   2.194  -1.443
  236    HB2  ALA  35           HB2      ALA  35  -9.548   2.860  -0.623
  237    HB3  ALA  35           HB3      ALA  35  -7.947   3.528  -0.302
  238    H    MET  36           H        MET  36  -7.392  -0.483  -0.436
  239    HA   MET  36           HA       MET  36  -9.821  -1.729  -1.180
  240    HB2  MET  36           HB3      MET  36  -7.656  -2.227  -2.265
  241    HG2  MET  36           HG3      MET  36  -8.860  -4.659  -0.960
  242    HE1  MET  36           HE1      MET  36  -6.477  -5.788  -0.671
  243    HE2  MET  36           HE2      MET  36  -5.292  -5.934  -1.968
  244    HE3  MET  36           HE3      MET  36  -5.667  -4.349  -1.292
  245    H    LEU  37           H        LEU  37  -7.508  -2.427   1.421
  246    HA   LEU  37           HA       LEU  37  -9.018  -4.442   2.665
  247    HB2  LEU  37           HB3      LEU  37  -7.092  -2.546   4.000
  248    HG   LEU  37           HG       LEU  37  -5.909  -3.500   2.109
  249   HD11  LEU  37          HD11      LEU  37  -4.513  -3.287   3.971
  250   HD12  LEU  37          HD12      LEU  37  -5.273  -4.644   4.806
  251   HD13  LEU  37          HD13      LEU  37  -4.245  -4.935   3.405
  252   HD21  LEU  37          HD21      LEU  37  -5.676  -5.933   1.873
  253   HD22  LEU  37          HD22      LEU  37  -6.853  -6.158   3.166
  254   HD23  LEU  37          HD23      LEU  37  -7.342  -5.396   1.652
  255    H    GLU  38           H        GLU  38  -8.622  -1.010   3.563
  256    HA   GLU  38           HA       GLU  38 -10.463  -0.924   5.631
  257    HB2  GLU  38           HB3      GLU  38  -8.981   0.942   5.169
  258    HG2  GLU  38           HG3      GLU  38 -11.830   1.823   4.764
  259    H    ARG  39           H        ARG  39 -10.959  -0.651   2.157
  260    HA   ARG  39           HA       ARG  39 -13.615   0.151   2.101
  261    HB2  ARG  39           HB3      ARG  39 -12.370   0.078   0.062
  262    HG2  ARG  39           HG3      ARG  39 -13.759  -1.089  -1.472
  263    HD2  ARG  39           HD3      ARG  39 -16.016  -0.510  -0.702
  264    HE   ARG  39           HE       ARG  39 -13.983   1.326  -0.933
  265   HH11  ARG  39          HH12      ARG  39 -16.987   1.100   0.818
  266   HH12  ARG  39          HH11      ARG  39 -17.262   2.810   0.821
  267   HH21  ARG  39          HH21      ARG  39 -14.337   3.577  -0.935
  268   HH22  ARG  39          HH22      ARG  39 -15.756   4.218  -0.177
  269    H    MET  40           H        MET  40 -12.333  -3.176   2.086
  270    HA   MET  40           HA       MET  40 -14.784  -4.502   2.149
  271    HB2  MET  40           HB3      MET  40 -12.593  -5.590   1.735
  272    HG2  MET  40           HG3      MET  40 -12.934  -7.646   2.997
  273    HE1  MET  40           HE1      MET  40 -16.335  -9.228   1.912
  274    HE2  MET  40           HE2      MET  40 -14.688  -9.544   2.456
  275    HE3  MET  40           HE3      MET  40 -15.839  -8.764   3.539
  276    H    GLU  41           H        GLU  41 -12.734  -3.386   4.820
  277    HA   GLU  41           HA       GLU  41 -14.484  -4.330   6.868
  278    HB2  GLU  41           HB3      GLU  41 -12.113  -4.005   7.312
  279    HG2  GLU  41           HG3      GLU  41 -13.811  -3.570   9.166
  280    H    ALA  42           H        ALA  42 -14.390  -1.512   4.880
  281    HA   ALA  42           HA       ALA  42 -15.598   0.424   6.414
  282    HB1  ALA  42           HB1      ALA  42 -16.408   1.401   4.361
  283    HB2  ALA  42           HB2      ALA  42 -14.794   0.741   4.097
  284    HB3  ALA  42           HB3      ALA  42 -16.210  -0.133   3.514
  285    H    MET  43           H        MET  43 -16.952  -2.521   5.200
  286    HA   MET  43           HA       MET  43 -19.693  -1.701   5.661
  287    HB2  MET  43           HB3      MET  43 -18.548  -4.415   4.971
  288    HG2  MET  43           HG3      MET  43 -19.888  -2.376   3.207
  289    HE1  MET  43           HE1      MET  43 -18.464  -6.606   2.030
  290    HE2  MET  43           HE2      MET  43 -17.364  -5.304   2.483
  291    HE3  MET  43           HE3      MET  43 -18.448  -6.002   3.687
  292    H    GLY  44           H        GLY  44 -17.140  -3.354   7.333
  293    HA2  GLY  44           HA2      GLY  44 -17.315  -3.321   9.782
  294    HA3  GLY  44           HA3      GLY  44 -18.994  -3.812   9.588
  295    H    LYS  45           H        LYS  45 -15.746  -4.934   8.594
  296    HA   LYS  45           HA       LYS  45 -16.646  -7.689   8.786
  297    HB2  LYS  45           HB3      LYS  45 -14.077  -6.407   7.884
  298    HG2  LYS  45           HG3      LYS  45 -15.863  -6.448   6.230
  299    HD2  LYS  45           HD3      LYS  45 -17.160  -8.335   7.029
  300    HE2  LYS  45           HE3      LYS  45 -14.798  -9.998   6.163
  301    HZ1  LYS  45           HZ1      LYS  45 -17.448 -10.844   7.201
  302    HZ2  LYS  45           HZ2      LYS  45 -16.126 -11.868   6.943
  303    HZ3  LYS  45           HZ3      LYS  45 -16.869 -11.098   5.633
  304    H    VAL  46           H        VAL  46 -13.467  -6.530   9.806
  305    HA   VAL  46           HA       VAL  46 -14.060  -7.270  12.564
  306    HB   VAL  46           HB       VAL  46 -11.801  -8.526  10.998
  307   HG11  VAL  46          HG11      VAL  46 -12.493  -8.799  13.922
  308   HG12  VAL  46          HG12      VAL  46 -11.226  -9.677  13.070
  309   HG13  VAL  46          HG13      VAL  46 -11.104  -7.930  13.273
  310   HG21  VAL  46          HG21      VAL  46 -13.963  -9.563  10.583
  311   HG22  VAL  46          HG22      VAL  46 -12.928 -10.633  11.528
  312   HG23  VAL  46          HG23      VAL  46 -14.226  -9.736  12.319
  313    H    VAL  47           H        VAL  47 -10.800  -6.935  11.225
  314    HA   VAL  47           HA       VAL  47 -10.638  -4.159  12.029
  315    HB   VAL  47           HB       VAL  47  -8.867  -4.441  13.652
  316   HG11  VAL  47          HG11      VAL  47 -10.135  -5.443  15.481
  317   HG12  VAL  47          HG12      VAL  47 -11.167  -4.431  14.471
  318   HG13  VAL  47          HG13      VAL  47 -11.235  -6.187  14.320
  319   HG21  VAL  47          HG21      VAL  47  -7.764  -6.407  12.877
  320   HG22  VAL  47          HG22      VAL  47  -8.338  -6.737  14.511
  321   HG23  VAL  47          HG23      VAL  47  -9.209  -7.387  13.123
  322    H    ARG  48           H        ARG  48  -8.447  -3.251  11.643
  323    HA   ARG  48           HA       ARG  48  -6.718  -4.770   9.874
  324    HB2  ARG  48           HB3      ARG  48  -6.782  -2.901   8.159
  325    HG2  ARG  48           HG3      ARG  48  -9.065  -1.803   7.998
  326    HD2  ARG  48           HD3      ARG  48  -7.305  -0.860  10.253
  327    HE   ARG  48           HE       ARG  48  -9.484   0.387   8.929
  328   HH11  ARG  48          HH12      ARG  48  -6.318   0.999  10.243
  329   HH12  ARG  48          HH11      ARG  48  -6.630   2.673  10.559
  330   HH21  ARG  48          HH21      ARG  48  -9.905   2.593   9.339
  331   HH22  ARG  48          HH22      ARG  48  -8.667   3.580  10.044
  332    H    ILE  49           H        ILE  49  -4.714  -3.559   9.352
  333    HA   ILE  49           HA       ILE  49  -4.117  -1.500  11.377
  334    HB   ILE  49           HB       ILE  49  -2.241  -3.685  10.463
  335   HG12  ILE  49          HG13      ILE  49  -3.980  -4.577  11.924
  336   HG21  ILE  49          HG21      ILE  49  -0.754  -2.822  12.219
  337   HG22  ILE  49          HG22      ILE  49  -1.072  -1.621  10.969
  338   HG23  ILE  49          HG23      ILE  49  -1.894  -1.513  12.526
  339   HD11  ILE  49          HD11      ILE  49  -4.671  -2.523  13.056
  340   HD12  ILE  49          HD12      ILE  49  -4.291  -3.818  14.192
  341   HD13  ILE  49          HD13      ILE  49  -3.141  -2.505  13.936
  342    H    SER  50           H        SER  50  -3.955   0.335  10.229
  343    HA   SER  50           HA       SER  50  -2.768   0.315   7.577
  344    HB2  SER  50           HB3      SER  50  -3.454   2.695   7.509
  345    HG   SER  50           HG       SER  50  -3.282   2.819   9.945
  346    H    GLU  51           H        GLU  51  -0.717   0.720   7.181
  347    HA   GLU  51           HA       GLU  51   0.787   2.417   9.049
  348    HB2  GLU  51           HB3      GLU  51   1.289   0.038   9.517
  349    HG2  GLU  51           HG3      GLU  51   3.721   0.089   9.283
  350    H    THR  52           H        THR  52   2.648   3.448   8.129
  351    HA   THR  52           HA       THR  52   2.285   4.025   5.291
  352    HB   THR  52           HB       THR  52   2.440   5.951   6.765
  353    HG1  THR  52           HG1      THR  52   3.629   6.980   5.330
  354   HG21  THR  52          HG21      THR  52   4.533   6.452   7.967
  355   HG22  THR  52          HG22      THR  52   5.166   4.875   7.498
  356   HG23  THR  52          HG23      THR  52   3.765   4.980   8.563
  357    H    SER  53           H        SER  53   3.603   3.288   3.753
  358    HA   SER  53           HA       SER  53   5.894   1.675   4.524
  359    HB2  SER  53           HB3      SER  53   5.943   1.017   2.140
  360    HG   SER  53           HG       SER  53   5.183   2.713   1.016
  361    H    GLU  54           H        GLU  54   7.638   2.881   4.998
  362    HA   GLU  54           HA       GLU  54   8.344   5.124   3.253
  363    HB2  GLU  54           HB3      GLU  54   9.507   4.276   5.912
  364    HG2  GLU  54           HG3      GLU  54   7.710   6.600   5.258
  365    H    GLY  55           H        GLY  55   9.665   4.720   1.610
  366    HA2  GLY  55           HA2      GLY  55  11.395   2.376   1.679
  367    HA3  GLY  55           HA3      GLY  55  11.073   3.392   0.282
  368    H    CYS  56           H        CYS  56  12.219   4.304   3.514
  369    HA   CYS  56           HA       CYS  56  14.914   4.711   2.640
  370    HB2  CYS  56           HB3      CYS  56  13.892   6.678   1.611
  371    HG   CYS  56           HG       CYS  56  16.040   8.025   1.916
  372    H    LEU  57           H        LEU  57  12.704   6.220   5.005
  373    HA   LEU  57           HA       LEU  57  14.641   5.964   7.108
  374    HB2  LEU  57           HB3      LEU  57  11.743   6.805   7.144
  375    HG   LEU  57           HG       LEU  57  14.270   8.449   7.324
  376   HD11  LEU  57          HD11      LEU  57  13.182   9.618   5.369
  377   HD12  LEU  57          HD12      LEU  57  13.804   7.999   5.053
  378   HD13  LEU  57          HD13      LEU  57  12.074   8.250   5.281
  379   HD21  LEU  57          HD21      LEU  57  12.774  10.369   7.583
  380   HD22  LEU  57          HD22      LEU  57  11.391   9.279   7.666
  381   HD23  LEU  57          HD23      LEU  57  12.623   9.239   8.928
  382    H    SER  58           H        SER  58  15.021   4.158   8.187
  383    HA   SER  58           HA       SER  58  13.101   1.988   8.152
  384    HB2  SER  58           HB3      SER  58  15.866   2.165   9.378
  385    HG   SER  58           HG       SER  58  16.511   1.068   7.561
  386    H    GLY  59           H        GLY  59  14.195   4.457  10.324
  387    HA2  GLY  59           HA2      GLY  59  13.218   3.191  12.716
  388    HA3  GLY  59           HA3      GLY  59  13.762   4.855  12.562
  389    H    SER  60           H        SER  60  11.941   5.461  10.366
  390    HA   SER  60           HA       SER  60   9.881   6.375  10.074
  391    HB2  SER  60           HB3      SER  60   9.170   4.032  10.015
  392    HG   SER  60           HG       SER  60   7.010   4.460  11.141
  393    H    CYS  61           H        CYS  61   7.839   7.147  11.343
  394    HA   CYS  61           HA       CYS  61   8.357   7.781  14.123
  395    HB2  CYS  61           HB3      CYS  61   8.114   9.975  12.052
  396    HG   CYS  61           HG       CYS  61  10.756   9.927  14.128
  397    H    LYS  62           H        LYS  62   6.518   9.364  14.889
  398    HA   LYS  62           HA       LYS  62   4.009   8.235  13.858
  399    HB2  LYS  62           HB3      LYS  62   4.388   7.779  16.201
  400    HG2  LYS  62           HG3      LYS  62   2.361   9.991  15.943
  401    HD2  LYS  62           HD3      LYS  62   2.577   7.775  17.977
  402    HE2  LYS  62           HE3      LYS  62   0.675  10.105  17.765
  403    HZ1  LYS  62           HZ1      LYS  62   1.216   9.492  20.055
  404    HZ2  LYS  62           HZ2      LYS  62   0.763   7.891  19.742
  405    HZ3  LYS  62           HZ3      LYS  62  -0.392   9.124  19.676
  406    H    SER  63           H        SER  63   5.084  11.287  15.363
  407    HA   SER  63           HA       SER  63   2.972  12.765  14.094
  408    HB2  SER  63           HB3      SER  63   4.004  14.728  15.185
  409    HG   SER  63           HG       SER  63   5.828  14.281  16.568
  410    H    CYS  64           H        CYS  64   3.065  14.053  12.324
  411    HA   CYS  64           HA       CYS  64   5.654  14.237  10.927
  412    HB2  CYS  64           HB3      CYS  64   2.910  13.879   9.703
  413    HG   CYS  64           HG       CYS  64   4.426  11.567   8.408
  414    HA   PRO  65           HA       PRO  65   4.950  18.606  10.958
  415    HB2  PRO  65           HB3      PRO  65   6.684  19.366   9.040
  416    HG2  PRO  65           HG3      PRO  65   7.037  17.320   7.998
  417    HD2  PRO  65           HD3      PRO  65   6.464  15.334   9.007
  418    H    GLU  66           H        GLU  66   5.083  17.072   7.747
  419    HA   GLU  66           HA       GLU  66   3.260  19.089   6.686
  420    HB2  GLU  66           HB3      GLU  66   4.792  16.851   5.361
  421    HG2  GLU  66           HG3      GLU  66   6.158  18.793   5.953
  422    H    GLY  67           H        GLY  67   3.483  15.538   6.854
  423    HA2  GLY  67           HA2      GLY  67   1.783  14.009   7.251
  424    HA3  GLY  67           HA3      GLY  67   0.643  15.346   7.337
  425    H    LYS  68           H        LYS  68   2.716  15.210   4.593
  426    HA   LYS  68           HA       LYS  68   0.682  15.248   2.721
  427    HB2  LYS  68           HB3      LYS  68   3.508  14.225   2.397
  428    HG2  LYS  68           HG3      LYS  68   2.322  16.939   1.851
  429    HD2  LYS  68           HD3      LYS  68   3.929  16.338   0.126
  430    HE2  LYS  68           HE3      LYS  68   5.816  15.818   2.421
  431    HZ1  LYS  68           HZ1      LYS  68   7.387  15.231   0.676
  432    HZ2  LYS  68           HZ2      LYS  68   6.934  16.858   0.558
  433    HZ3  LYS  68           HZ3      LYS  68   6.283  15.718  -0.510
  434    H    ALA  69           H        ALA  69  -0.692  13.771   1.982
  435    HA   ALA  69           HA       ALA  69  -0.726  11.122   2.968
  436    HB1  ALA  69           HB1      ALA  69  -2.248  12.324   0.656
  437    HB2  ALA  69           HB2      ALA  69  -2.612  10.787   1.441
  438    HB3  ALA  69           HB3      ALA  69  -2.765  12.296   2.343
  439    H    ALA  70           H        ALA  70   1.085   9.957   2.447
  440    HA   ALA  70           HA       ALA  70   1.804   9.687  -0.380
  441    HB1  ALA  70           HB1      ALA  70   3.239   8.927   2.155
  442    HB2  ALA  70           HB2      ALA  70   3.821   8.510   0.542
  443    HB3  ALA  70           HB3      ALA  70   3.666  10.202   1.015
  444    H    CYS  71           H        CYS  71   2.804   7.286  -0.688
  445    HA   CYS  71           HA       CYS  71   0.652   5.574  -0.990
  446    HB2  CYS  71           HB3      CYS  71   2.323   3.786  -1.337
  447    HG   CYS  71           HG       CYS  71   4.145   5.271   0.779
  448    H    ARG  72           H        ARG  72  -0.594   4.670   0.502
  449    HA   ARG  72           HA       ARG  72   0.663   3.771   3.010
  450    HB2  ARG  72           HB3      ARG  72  -1.365   4.315   4.199
  451    HG2  ARG  72           HG3      ARG  72  -2.534   5.573   1.749
  452    HD2  ARG  72           HD3      ARG  72  -4.595   5.415   3.023
  453    HE   ARG  72           HE       ARG  72  -2.402   6.933   4.032
  454   HH11  ARG  72          HH12      ARG  72  -5.714   6.038   4.627
  455   HH12  ARG  72          HH11      ARG  72  -6.065   7.454   5.560
  456   HH21  ARG  72          HH21      ARG  72  -2.852   8.801   5.261
  457   HH22  ARG  72          HH22      ARG  72  -4.439   9.027   5.921
  458    H    GLN  73           H        GLN  73   0.046   1.811   3.856
  459    HA   GLN  73           HA       GLN  73  -1.949   0.215   2.427
  460    HB2  GLN  73           HB3      GLN  73  -0.237  -1.716   2.534
  461    HG2  GLN  73           HG3      GLN  73   1.677   0.605   2.514
  462   HE21  GLN  73          HE22      GLN  73   1.388  -1.559   0.550
  463   HE22  GLN  73          HE21      GLN  73   2.857  -2.462   0.627
  464    H    GLU  74           H        GLU  74  -3.072  -1.166   3.760
  465    HA   GLU  74           HA       GLU  74  -2.155  -1.232   6.563
  466    HB2  GLU  74           HB3      GLU  74  -4.466  -1.341   7.264
  467    HG2  GLU  74           HG3      GLU  74  -5.137  -1.297   4.338
  468    H    TRP  75           H        TRP  75  -3.571  -3.104   7.715
  469    HA   TRP  75           HA       TRP  75  -3.015  -5.557   6.178
  470    HB2  TRP  75           HB3      TRP  75  -2.896  -5.223   9.183
  471    HD1  TRP  75           HD1      TRP  75  -0.879  -4.639   6.041
  472    HE1  TRP  75           HE1      TRP  75   1.510  -3.934   6.687
  473    HE3  TRP  75           HE3      TRP  75  -1.076  -5.601  11.059
  474    HZ2  TRP  75           HZ2      TRP  75   3.101  -3.804   9.014
  475    HZ3  TRP  75           HZ3      TRP  75   0.923  -5.159  12.422
  476    HH2  TRP  75           HH2      TRP  75   2.969  -4.280  11.419
  477    H    TRP  76           H        TRP  76  -4.413  -7.353   6.517
  478    HA   TRP  76           HA       TRP  76  -7.088  -6.566   7.463
  479    HB2  TRP  76           HB3      TRP  76  -6.922  -7.089   5.038
  480    HD1  TRP  76           HD1      TRP  76  -8.190 -10.495   5.979
  481    HE1  TRP  76           HE1      TRP  76 -10.763 -10.467   6.057
  482    HE3  TRP  76           HE3      TRP  76  -8.954  -5.453   5.670
  483    HZ2  TRP  76           HZ2      TRP  76 -12.841  -8.558   5.998
  484    HZ3  TRP  76           HZ3      TRP  76 -11.263  -4.606   5.683
  485    HH2  TRP  76           HH2      TRP  76 -13.166  -6.127   5.844
  486    H    ALA  77           H        ALA  77  -7.701  -7.463   9.309
  487    HA   ALA  77           HA       ALA  77  -6.767 -10.185   9.928
  488    HB1  ALA  77           HB1      ALA  77  -7.026  -7.913  11.891
  489    HB2  ALA  77           HB2      ALA  77  -6.574  -9.574  12.281
  490    HB3  ALA  77           HB3      ALA  77  -5.515  -8.583  11.276
  491    H    LEU  78           H        LEU  78  -8.279 -11.590  10.574
  492    HA   LEU  78           HA       LEU  78 -11.023 -10.583  10.881
  493    HB2  LEU  78           HB3      LEU  78 -10.006 -13.331  10.156
  494    HG   LEU  78           HG       LEU  78 -11.476 -11.294   8.482
  495   HD11  LEU  78          HD11      LEU  78  -9.195 -10.763   8.433
  496   HD12  LEU  78          HD12      LEU  78  -8.713 -12.461   8.416
  497   HD13  LEU  78          HD13      LEU  78  -9.458 -11.741   6.990
  498   HD21  LEU  78          HD21      LEU  78 -10.773 -14.167   7.892
  499   HD22  LEU  78          HD22      LEU  78 -12.394 -13.504   8.096
  500   HD23  LEU  78          HD23      LEU  78 -11.406 -13.010   6.722
  501    H    ARG  79           H        ARG  79 -12.315 -12.498  12.164
  502    HA   ARG  79           HA       ARG  79 -10.894 -12.809  14.725
  503    HB2  ARG  79           HB3      ARG  79 -13.184 -12.653  15.782
  504    HG2  ARG  79           HG3      ARG  79 -13.939 -11.603  13.063
  505    HD2  ARG  79           HD3      ARG  79 -15.532 -11.606  15.622
  506    HE   ARG  79           HE       ARG  79 -16.522 -11.509  13.091
  507   HH11  ARG  79          HH12      ARG  79 -16.362  -9.253  15.737
  508   HH12  ARG  79          HH11      ARG  79 -17.821  -8.431  15.298
  509   HH21  ARG  79          HH21      ARG  79 -18.449 -10.430  12.500
  510   HH22  ARG  79          HH22      ARG  79 -19.006  -9.098  13.457
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -7.926  -6.276 -15.508
    2    H2   MET   1           H2       MET   1  -7.947  -7.730 -14.642
    3    H3   MET   1           H3       MET   1  -6.653  -6.655 -14.464
    4    HA   MET   1           HA       MET   1  -8.098  -5.011 -13.479
    5    HB2  MET   1           HB3      MET   1 -10.404  -5.679 -12.857
    6    HG2  MET   1           HG3      MET   1  -9.986  -8.004 -14.721
    7    HE1  MET   1           HE1      MET   1 -12.305  -7.510 -11.597
    8    HE2  MET   1           HE2      MET   1 -12.332  -5.913 -12.345
    9    HE3  MET   1           HE3      MET   1 -13.786  -6.910 -12.343
   10    H    ALA   2           H        ALA   2  -8.281  -4.916 -11.230
   11    HA   ALA   2           HA       ALA   2  -7.727  -7.403  -9.766
   12    HB1  ALA   2           HB1      ALA   2  -6.267  -4.789  -9.385
   13    HB2  ALA   2           HB2      ALA   2  -6.082  -6.225  -8.375
   14    HB3  ALA   2           HB3      ALA   2  -5.597  -6.270 -10.070
   15    H    SER   3           H        SER   3  -8.926  -7.657  -7.976
   16    HA   SER   3           HA       SER   3 -10.204  -5.300  -6.781
   17    HB2  SER   3           HB3      SER   3 -11.868  -6.319  -8.255
   18    HG   SER   3           HG       SER   3 -13.453  -6.495  -6.753
   19    H    LEU   4           H        LEU   4 -11.254  -5.901  -4.632
   20    HA   LEU   4           HA       LEU   4  -9.287  -6.966  -2.927
   21    HB2  LEU   4           HB3      LEU   4 -10.991  -6.771  -1.161
   22    HG   LEU   4           HG       LEU   4 -12.867  -6.238  -3.447
   23   HD11  LEU   4          HD11      LEU   4 -14.364  -7.601  -1.910
   24   HD12  LEU   4          HD12      LEU   4 -13.030  -8.453  -2.685
   25   HD13  LEU   4          HD13      LEU   4 -12.902  -7.970  -0.994
   26   HD21  LEU   4          HD21      LEU   4 -12.978  -4.273  -2.031
   27   HD22  LEU   4          HD22      LEU   4 -14.426  -5.258  -1.818
   28   HD23  LEU   4          HD23      LEU   4 -13.153  -5.287  -0.598
   29    H    MET   5           H        MET   5 -11.662  -8.529  -4.811
   30    HA   MET   5           HA       MET   5 -12.451 -10.711  -3.362
   31    HB2  MET   5           HB3      MET   5 -12.571 -11.928  -5.507
   32    HG2  MET   5           HG3      MET   5 -10.995  -9.591  -6.544
   33    HE1  MET   5           HE1      MET   5 -12.059 -13.046  -8.103
   34    HE2  MET   5           HE2      MET   5 -13.545 -12.456  -7.357
   35    HE3  MET   5           HE3      MET   5 -13.421 -12.557  -9.113
   36    H    GLU   6           H        GLU   6  -9.318 -10.137  -4.858
   37    HA   GLU   6           HA       GLU   6  -8.257 -12.725  -4.561
   38    HB2  GLU   6           HB3      GLU   6  -6.863 -10.047  -4.579
   39    HG2  GLU   6           HG3      GLU   6  -8.060 -10.463  -6.652
   40    H    VAL   7           H        VAL   7  -7.538  -9.844  -2.570
   41    HA   VAL   7           HA       VAL   7  -6.236 -11.194  -0.512
   42    HB   VAL   7           HB       VAL   7  -6.148  -8.759  -0.727
   43   HG11  VAL   7          HG11      VAL   7  -9.029  -8.830   0.161
   44   HG12  VAL   7          HG12      VAL   7  -8.043  -7.376   0.024
   45   HG13  VAL   7          HG13      VAL   7  -8.427  -8.320  -1.416
   46   HG21  VAL   7          HG21      VAL   7  -5.625  -9.765   1.434
   47   HG22  VAL   7          HG22      VAL   7  -6.372  -8.181   1.638
   48   HG23  VAL   7          HG23      VAL   7  -7.318  -9.643   1.910
   49    H    ARG   8           H        ARG   8  -9.627 -10.773  -1.164
   50    HA   ARG   8           HA       ARG   8 -10.713 -11.353   1.336
   51    HB2  ARG   8           HB3      ARG   8 -12.150 -10.539  -0.378
   52    HG2  ARG   8           HG3      ARG   8 -13.960 -12.133  -0.539
   53    HD2  ARG   8           HD3      ARG   8 -12.515 -12.211   2.103
   54    HE   ARG   8           HE       ARG   8 -14.968 -13.484   1.414
   55   HH11  ARG   8          HH12      ARG   8 -13.355 -11.689   3.924
   56   HH12  ARG   8          HH11      ARG   8 -14.306 -12.369   5.201
   57   HH21  ARG   8          HH21      ARG   8 -16.228 -14.387   3.088
   58   HH22  ARG   8          HH22      ARG   8 -15.942 -13.901   4.726
   59    H    ASP   9           H        ASP   9 -10.122 -13.599  -1.379
   60    HA   ASP   9           HA       ASP   9 -10.805 -15.934   0.014
   61    HB2  ASP   9           HB3      ASP   9  -8.886 -15.597  -2.302
   62    H    MET  10           H        MET  10  -7.650 -14.381  -0.485
   63    HA   MET  10           HA       MET  10  -5.991 -16.239   0.684
   64    HB2  MET  10           HB3      MET  10  -5.806 -13.229   0.898
   65    HG2  MET  10           HG3      MET  10  -5.867 -13.982  -1.425
   66    HE1  MET  10           HE1      MET  10  -3.263 -14.422  -3.155
   67    HE2  MET  10           HE2      MET  10  -3.359 -16.138  -3.551
   68    HE3  MET  10           HE3      MET  10  -4.809 -15.136  -3.608
   69    H    LEU  11           H        LEU  11  -7.405 -13.431   2.375
   70    HA   LEU  11           HA       LEU  11  -6.641 -14.272   4.950
   71    HB2  LEU  11           HB3      LEU  11  -8.651 -12.313   3.904
   72    HG   LEU  11           HG       LEU  11  -7.334 -10.645   5.038
   73   HD11  LEU  11          HD11      LEU  11  -5.604 -12.913   6.010
   74   HD12  LEU  11          HD12      LEU  11  -5.322 -11.195   6.282
   75   HD13  LEU  11          HD13      LEU  11  -6.727 -11.985   7.001
   76   HD21  LEU  11          HD21      LEU  11  -5.209 -10.861   3.830
   77   HD22  LEU  11          HD22      LEU  11  -5.584 -12.550   3.488
   78   HD23  LEU  11          HD23      LEU  11  -6.590 -11.269   2.813
   79    H    ALA  12           H        ALA  12  -9.735 -14.570   3.222
   80    HA   ALA  12           HA       ALA  12 -11.272 -15.727   5.190
   81    HB1  ALA  12           HB1      ALA  12 -12.125 -15.044   2.991
   82    HB2  ALA  12           HB2      ALA  12 -11.317 -16.430   2.257
   83    HB3  ALA  12           HB3      ALA  12 -12.624 -16.682   3.413
   84    H    LEU  13           H        LEU  13  -8.621 -17.107   3.446
   85    HA   LEU  13           HA       LEU  13  -9.212 -19.746   4.611
   86    HB2  LEU  13           HB3      LEU  13  -7.438 -19.064   2.268
   87    HG   LEU  13           HG       LEU  13  -9.934 -18.912   1.817
   88   HD11  LEU  13          HD11      LEU  13  -8.332 -21.003   0.352
   89   HD12  LEU  13          HD12      LEU  13  -9.770 -20.185  -0.263
   90   HD13  LEU  13          HD13      LEU  13  -8.298 -19.265   0.051
   91   HD21  LEU  13          HD21      LEU  13  -9.750 -21.887   2.283
   92   HD22  LEU  13          HD22      LEU  13 -10.641 -20.734   3.278
   93   HD23  LEU  13          HD23      LEU  13 -11.136 -21.029   1.611
   94    H    GLN  14           H        GLN  14  -7.704 -17.250   5.682
   95    HA   GLN  14           HA       GLN  14  -5.442 -18.794   6.712
   96    HB2  GLN  14           HB3      GLN  14  -5.271 -16.003   5.579
   97    HG2  GLN  14           HG3      GLN  14  -5.042 -17.817   3.939
   98   HE21  GLN  14          HE22      GLN  14  -3.922 -19.579   3.119
   99   HE22  GLN  14          HE21      GLN  14  -2.959 -20.606   4.121
  100    H    GLY  15           H        GLY  15  -6.289 -15.374   7.114
  101    HA2  GLY  15           HA2      GLY  15  -7.827 -15.081   9.198
  102    HA3  GLY  15           HA3      GLY  15  -6.473 -15.854  10.005
  103    H    ARG  16           H        ARG  16  -4.422 -14.749  10.024
  104    HA   ARG  16           HA       ARG  16  -4.781 -11.840  10.025
  105    HB2  ARG  16           HB3      ARG  16  -2.705 -13.595  11.336
  106    HG2  ARG  16           HG3      ARG  16  -3.604 -12.625  13.435
  107    HD2  ARG  16           HD3      ARG  16  -5.490 -14.065  13.616
  108    HE   ARG  16           HE       ARG  16  -3.174 -15.073  12.635
  109   HH11  ARG  16          HH12      ARG  16  -6.534 -15.873  12.176
  110   HH12  ARG  16          HH11      ARG  16  -6.232 -17.557  11.915
  111   HH21  ARG  16          HH21      ARG  16  -2.765 -17.292  12.291
  112   HH22  ARG  16          HH22      ARG  16  -4.089 -18.364  11.981
  113    H    MET  17           H        MET  17  -4.239 -10.962   8.119
  114    HA   MET  17           HA       MET  17  -1.525 -11.163   7.208
  115    HB2  MET  17           HB3      MET  17  -3.754 -12.310   5.530
  116    HG2  MET  17           HG3      MET  17  -1.159 -13.458   6.511
  117    HE1  MET  17           HE1      MET  17  -0.128 -13.623   4.036
  118    HE2  MET  17           HE2      MET  17  -0.954 -14.400   2.686
  119    HE3  MET  17           HE3      MET  17  -1.561 -12.874   3.330
  120    H    GLU  18           H        GLU  18  -1.298  -9.879   5.065
  121    HA   GLU  18           HA       GLU  18  -3.269  -7.716   4.902
  122    HB2  GLU  18           HB3      GLU  18  -1.559  -6.002   4.985
  123    HG2  GLU  18           HG3      GLU  18   0.411  -8.219   5.500
  124    H    ALA  19           H        ALA  19  -3.048  -6.415   2.940
  125    HA   ALA  19           HA       ALA  19  -2.400  -8.099   0.690
  126    HB1  ALA  19           HB1      ALA  19  -3.457  -5.279   0.753
  127    HB2  ALA  19           HB2      ALA  19  -3.372  -6.322  -0.665
  128    HB3  ALA  19           HB3      ALA  19  -4.432  -6.745   0.679
  129    H    LYS  20           H        LYS  20  -0.702  -5.808   2.525
  130    HA   LYS  20           HA       LYS  20   0.821  -4.369   0.772
  131    HB2  LYS  20           HB3      LYS  20   0.990  -4.136   3.196
  132    HG2  LYS  20           HG3      LYS  20   3.643  -4.889   1.986
  133    HD2  LYS  20           HD3      LYS  20   2.942  -3.289   4.444
  134    HE2  LYS  20           HE3      LYS  20   5.365  -2.939   4.669
  135    HZ1  LYS  20           HZ1      LYS  20   4.318  -1.922   2.083
  136    HZ2  LYS  20           HZ2      LYS  20   5.600  -1.261   2.968
  137    HZ3  LYS  20           HZ3      LYS  20   4.029  -1.219   3.593
  138    H    GLN  21           H        GLN  21   1.855  -7.509   2.126
  139    HA   GLN  21           HA       GLN  21   4.061  -7.866   0.468
  140    HB2  GLN  21           HB3      GLN  21   2.294 -10.032   1.622
  141    HG2  GLN  21           HG3      GLN  21   3.082  -8.432   3.347
  142   HE21  GLN  21          HE22      GLN  21   5.441  -9.432   4.762
  143   HE22  GLN  21          HE21      GLN  21   6.790  -8.595   4.081
  144    H    LEU  22           H        LEU  22   0.845  -9.364   0.128
  145    HA   LEU  22           HA       LEU  22   1.218 -10.608  -2.307
  146    HB2  LEU  22           HB3      LEU  22  -1.323  -9.273  -1.368
  147    HG   LEU  22           HG       LEU  22  -0.526 -10.805   0.376
  148   HD11  LEU  22          HD11      LEU  22  -2.500 -12.224   0.491
  149   HD12  LEU  22          HD12      LEU  22  -2.926 -10.601  -0.049
  150   HD13  LEU  22          HD13      LEU  22  -2.832 -11.921  -1.215
  151   HD21  LEU  22          HD21      LEU  22   0.879 -12.236  -1.018
  152   HD22  LEU  22          HD22      LEU  22  -0.282 -13.188  -0.093
  153   HD23  LEU  22          HD23      LEU  22  -0.558 -12.885  -1.808
  154    H    SER  23           H        SER  23   0.471  -7.252  -1.617
  155    HA   SER  23           HA       SER  23  -0.212  -6.429  -4.212
  156    HB2  SER  23           HB3      SER  23  -0.643  -5.051  -2.225
  157    HG   SER  23           HG       SER  23  -0.565  -3.829  -4.045
  158    H    ALA  24           H        ALA  24   2.916  -6.300  -2.511
  159    HA   ALA  24           HA       ALA  24   4.415  -5.164  -4.565
  160    HB1  ALA  24           HB1      ALA  24   5.345  -7.163  -2.504
  161    HB2  ALA  24           HB2      ALA  24   6.374  -6.083  -3.444
  162    HB3  ALA  24           HB3      ALA  24   5.236  -5.418  -2.271
  163    H    ARG  25           H        ARG  25   3.519  -8.516  -3.970
  164    HA   ARG  25           HA       ARG  25   5.167  -9.650  -5.982
  165    HB2  ARG  25           HB3      ARG  25   2.658 -10.670  -4.647
  166    HG2  ARG  25           HG3      ARG  25   5.542 -11.423  -4.223
  167    HD2  ARG  25           HD3      ARG  25   4.709 -12.767  -2.388
  168    HE   ARG  25           HE       ARG  25   4.124 -13.441  -5.044
  169   HH11  ARG  25          HH12      ARG  25   3.233 -14.341  -1.800
  170   HH12  ARG  25          HH11      ARG  25   2.843 -15.974  -2.221
  171   HH21  ARG  25          HH21      ARG  25   3.608 -15.590  -5.612
  172   HH22  ARG  25          HH22      ARG  25   3.054 -16.685  -4.389
  173    H    LEU  26           H        LEU  26   2.144  -7.995  -6.070
  174    HA   LEU  26           HA       LEU  26   1.632  -8.934  -8.802
  175    HB2  LEU  26           HB3      LEU  26  -0.159  -7.385  -6.932
  176    HG   LEU  26           HG       LEU  26   0.036  -9.675  -6.135
  177   HD11  LEU  26          HD11      LEU  26  -2.150  -8.612  -6.021
  178   HD12  LEU  26          HD12      LEU  26  -2.537  -9.210  -7.634
  179   HD13  LEU  26          HD13      LEU  26  -2.306 -10.345  -6.305
  180   HD21  LEU  26          HD21      LEU  26  -0.585 -11.561  -7.574
  181   HD22  LEU  26          HD22      LEU  26  -0.716 -10.461  -8.947
  182   HD23  LEU  26          HD23      LEU  26   0.847 -10.722  -8.172
  183    H    GLN  27           H        GLN  27   3.089  -6.371  -7.205
  184    HA   GLN  27           HA       GLN  27   3.895  -4.368  -7.908
  185    HB2  GLN  27           HB3      GLN  27   2.901  -5.232 -10.629
  186    HG2  GLN  27           HG3      GLN  27   5.646  -5.506  -9.430
  187   HE21  GLN  27          HE22      GLN  27   7.203  -6.376 -10.784
  188   HE22  GLN  27          HE21      GLN  27   7.049  -6.351 -12.504
  189    H    THR  28           H        THR  28   0.954  -4.873  -7.229
  190    HA   THR  28           HA       THR  28  -0.457  -2.825  -8.682
  191    HB   THR  28           HB       THR  28  -1.291  -4.280  -6.166
  192    HG1  THR  28           HG1      THR  28  -2.161  -4.857  -8.802
  193   HG21  THR  28          HG21      THR  28  -2.920  -2.764  -8.209
  194   HG22  THR  28          HG22      THR  28  -2.542  -2.207  -6.579
  195   HG23  THR  28          HG23      THR  28  -3.558  -3.631  -6.813
  196    HA   PRO  29           HA       PRO  29   0.763   0.787  -6.443
  197    HB2  PRO  29           HB3      PRO  29  -2.177   1.338  -6.473
  198    HG2  PRO  29           HG3      PRO  29  -2.297   1.249  -8.796
  199    HD2  PRO  29           HD3      PRO  29  -2.151  -1.000  -8.379
  200    H    GLN  30           H        GLN  30   1.160   1.029  -4.337
  201    HA   GLN  30           HA       GLN  30  -0.131  -0.564  -2.379
  202    HB2  GLN  30           HB3      GLN  30   1.870   1.676  -2.214
  203    HG2  GLN  30           HG3      GLN  30   3.366  -0.029  -1.379
  204   HE21  GLN  30          HE22      GLN  30   3.288  -2.515  -2.875
  205   HE22  GLN  30          HE21      GLN  30   3.537  -2.091  -4.531
  206    HA   PRO  31           HA       PRO  31  -1.841   3.957  -1.044
  207    HB2  PRO  31           HB3      PRO  31  -2.530   4.566  -3.889
  208    HG2  PRO  31           HG3      PRO  31  -0.336   5.104  -4.439
  209    HD2  PRO  31           HD3      PRO  31  -0.070   2.831  -4.368
  210    H    LEU  32           H        LEU  32  -2.893   1.863  -3.675
  211    HA   LEU  32           HA       LEU  32  -5.686   2.203  -3.193
  212    HB2  LEU  32           HB3      LEU  32  -4.645   1.459  -5.359
  213    HG   LEU  32           HG       LEU  32  -6.331  -0.082  -6.054
  214   HD11  LEU  32          HD11      LEU  32  -7.344  -1.634  -4.775
  215   HD12  LEU  32          HD12      LEU  32  -5.923  -1.408  -3.755
  216   HD13  LEU  32          HD13      LEU  32  -7.430  -0.578  -3.366
  217   HD21  LEU  32          HD21      LEU  32  -8.357   1.010  -5.259
  218   HD22  LEU  32          HD22      LEU  32  -7.461   1.718  -3.916
  219   HD23  LEU  32          HD23      LEU  32  -7.087   2.192  -5.574
  220    H    ILE  33           H        ILE  33  -3.205   0.019  -2.050
  221    HA   ILE  33           HA       ILE  33  -4.689  -2.045  -0.985
  222    HB   ILE  33           HB       ILE  33  -2.226  -0.762   0.206
  223   HG12  ILE  33          HG13      ILE  33  -1.918  -1.551  -2.099
  224   HG21  ILE  33          HG21      ILE  33  -1.917  -3.084   1.192
  225   HG22  ILE  33          HG22      ILE  33  -3.166  -2.074   1.922
  226   HG23  ILE  33          HG23      ILE  33  -3.614  -3.359   0.803
  227   HD11  ILE  33          HD11      ILE  33  -3.687  -3.264  -2.150
  228   HD12  ILE  33          HD12      ILE  33  -2.125  -3.859  -2.714
  229   HD13  ILE  33          HD13      ILE  33  -2.697  -4.277  -1.098
  230    H    ASP  34           H        ASP  34  -3.759   0.982   0.669
  231    HA   ASP  34           HA       ASP  34  -4.979   0.585   3.096
  232    HB2  ASP  34           HB3      ASP  34  -3.606   2.547   2.625
  233    H    ALA  35           H        ALA  35  -6.429   1.590   0.061
  234    HA   ALA  35           HA       ALA  35  -9.050   1.959   1.204
  235    HB1  ALA  35           HB1      ALA  35  -8.289   3.296  -0.711
  236    HB2  ALA  35           HB2      ALA  35  -8.205   1.830  -1.688
  237    HB3  ALA  35           HB3      ALA  35  -9.762   2.396  -1.078
  238    H    MET  36           H        MET  36  -7.239  -0.601  -0.272
  239    HA   MET  36           HA       MET  36  -9.350  -2.231  -1.161
  240    HB2  MET  36           HB3      MET  36  -7.043  -2.645  -1.825
  241    HG2  MET  36           HG3      MET  36  -8.008  -4.968  -0.173
  242    HE1  MET  36           HE1      MET  36  -5.889  -3.591  -3.196
  243    HE2  MET  36           HE2      MET  36  -5.276  -5.092  -3.890
  244    HE3  MET  36           HE3      MET  36  -7.001  -4.732  -3.949
  245    H    LEU  37           H        LEU  37  -7.541  -2.277   1.903
  246    HA   LEU  37           HA       LEU  37  -9.303  -4.223   3.076
  247    HB2  LEU  37           HB3      LEU  37  -7.192  -2.463   4.315
  248    HG   LEU  37           HG       LEU  37  -5.894  -4.592   4.553
  249   HD11  LEU  37          HD11      LEU  37  -7.817  -5.620   2.476
  250   HD12  LEU  37          HD12      LEU  37  -6.411  -6.460   3.131
  251   HD13  LEU  37          HD13      LEU  37  -7.798  -6.118   4.166
  252   HD21  LEU  37          HD21      LEU  37  -6.400  -3.821   1.691
  253   HD22  LEU  37          HD22      LEU  37  -5.469  -2.838   2.820
  254   HD23  LEU  37          HD23      LEU  37  -4.915  -4.457   2.394
  255    H    GLU  38           H        GLU  38  -8.641  -0.763   3.598
  256    HA   GLU  38           HA       GLU  38 -10.470  -0.195   5.565
  257    HB2  GLU  38           HB3      GLU  38  -8.881   1.450   4.709
  258    HG2  GLU  38           HG3      GLU  38 -10.284   3.439   4.517
  259    H    ARG  39           H        ARG  39 -11.031  -0.368   2.069
  260    HA   ARG  39           HA       ARG  39 -13.766   0.353   2.168
  261    HB2  ARG  39           HB3      ARG  39 -12.497   0.474   0.087
  262    HG2  ARG  39           HG3      ARG  39 -14.702  -1.571  -0.066
  263    HD2  ARG  39           HD3      ARG  39 -13.297  -1.624  -2.072
  264    HE   ARG  39           HE       ARG  39 -12.920   1.040  -1.817
  265   HH11  ARG  39          HH12      ARG  39 -14.329  -0.950  -4.303
  266   HH12  ARG  39          HH11      ARG  39 -13.867   0.108  -5.594
  267   HH21  ARG  39          HH21      ARG  39 -12.306   2.442  -3.511
  268   HH22  ARG  39          HH22      ARG  39 -12.718   2.037  -5.144
  269    H    MET  40           H        MET  40 -12.191  -2.824   1.811
  270    HA   MET  40           HA       MET  40 -14.467  -4.402   1.900
  271    HB2  MET  40           HB3      MET  40 -12.291  -5.320   1.333
  272    HG2  MET  40           HG3      MET  40 -13.333  -6.595   3.851
  273    HE1  MET  40           HE1      MET  40 -12.825  -9.151   4.363
  274    HE2  MET  40           HE2      MET  40 -13.488  -9.511   2.768
  275    HE3  MET  40           HE3      MET  40 -11.933 -10.193   3.254
  276    H    GLU  41           H        GLU  41 -12.589  -3.001   4.525
  277    HA   GLU  41           HA       GLU  41 -14.200  -4.271   6.570
  278    HB2  GLU  41           HB3      GLU  41 -11.713  -3.737   6.754
  279    HG2  GLU  41           HG3      GLU  41 -13.224  -4.229   8.734
  280    H    ALA  42           H        ALA  42 -14.311  -1.403   4.694
  281    HA   ALA  42           HA       ALA  42 -15.442   0.480   6.338
  282    HB1  ALA  42           HB1      ALA  42 -16.477   1.425   4.355
  283    HB2  ALA  42           HB2      ALA  42 -14.846   0.869   3.986
  284    HB3  ALA  42           HB3      ALA  42 -16.238  -0.090   3.484
  285    H    MET  43           H        MET  43 -16.824  -2.484   5.198
  286    HA   MET  43           HA       MET  43 -19.536  -1.731   5.870
  287    HB2  MET  43           HB3      MET  43 -20.145  -3.956   5.168
  288    HG2  MET  43           HG3      MET  43 -17.198  -4.550   5.033
  289    HE1  MET  43           HE1      MET  43 -17.317  -4.941   2.377
  290    HE2  MET  43           HE2      MET  43 -18.544  -5.946   1.603
  291    HE3  MET  43           HE3      MET  43 -19.007  -4.436   2.386
  292    H    GLY  44           H        GLY  44 -16.832  -3.321   7.348
  293    HA2  GLY  44           HA2      GLY  44 -16.769  -3.317   9.786
  294    HA3  GLY  44           HA3      GLY  44 -18.476  -3.750   9.762
  295    H    LYS  45           H        LYS  45 -15.539  -5.038   8.176
  296    HA   LYS  45           HA       LYS  45 -16.440  -7.725   8.387
  297    HB2  LYS  45           HB3      LYS  45 -13.673  -6.643   7.843
  298    HG2  LYS  45           HG3      LYS  45 -15.279  -5.957   6.140
  299    HD2  LYS  45           HD3      LYS  45 -16.910  -7.788   6.476
  300    HE2  LYS  45           HE3      LYS  45 -14.878  -9.431   4.971
  301    HZ1  LYS  45           HZ1      LYS  45 -17.588 -10.162   5.940
  302    HZ2  LYS  45           HZ2      LYS  45 -16.483 -11.209   5.199
  303    HZ3  LYS  45           HZ3      LYS  45 -17.157  -9.929   4.322
  304    H    VAL  46           H        VAL  46 -13.444  -6.404   9.791
  305    HA   VAL  46           HA       VAL  46 -14.134  -7.466  12.392
  306    HB   VAL  46           HB       VAL  46 -11.682  -8.565  12.323
  307   HG11  VAL  46          HG11      VAL  46 -12.799 -10.730  12.097
  308   HG12  VAL  46          HG12      VAL  46 -13.722  -9.633  13.122
  309   HG13  VAL  46          HG13      VAL  46 -14.233  -9.925  11.458
  310   HG21  VAL  46          HG21      VAL  46 -12.790  -9.189   9.589
  311   HG22  VAL  46          HG22      VAL  46 -11.476  -8.052   9.872
  312   HG23  VAL  46          HG23      VAL  46 -11.273  -9.754  10.289
  313    H    VAL  47           H        VAL  47 -10.803  -7.001  11.323
  314    HA   VAL  47           HA       VAL  47 -10.759  -4.304  12.431
  315    HB   VAL  47           HB       VAL  47  -8.900  -4.762  13.934
  316   HG11  VAL  47          HG11      VAL  47 -11.247  -6.592  14.435
  317   HG12  VAL  47          HG12      VAL  47 -10.102  -6.025  15.651
  318   HG13  VAL  47          HG13      VAL  47 -11.161  -4.876  14.834
  319   HG21  VAL  47          HG21      VAL  47  -9.278  -7.648  13.137
  320   HG22  VAL  47          HG22      VAL  47  -7.886  -6.631  12.770
  321   HG23  VAL  47          HG23      VAL  47  -8.235  -7.078  14.440
  322    H    ARG  48           H        ARG  48  -8.721  -3.184  12.024
  323    HA   ARG  48           HA       ARG  48  -6.913  -4.387  10.098
  324    HB2  ARG  48           HB3      ARG  48  -7.226  -2.267   8.626
  325    HG2  ARG  48           HG3      ARG  48  -9.615  -1.591   8.475
  326    HD2  ARG  48           HD3      ARG  48  -8.298  -0.898  11.095
  327    HE   ARG  48           HE       ARG  48 -10.692   0.045  10.061
  328   HH11  ARG  48          HH12      ARG  48  -7.643   1.346  11.127
  329   HH12  ARG  48          HH11      ARG  48  -8.320   2.858  11.638
  330   HH21  ARG  48          HH21      ARG  48 -11.593   2.028  10.728
  331   HH22  ARG  48          HH22      ARG  48 -10.566   3.245  11.409
  332    H    ILE  49           H        ILE  49  -5.059  -2.963   9.595
  333    HA   ILE  49           HA       ILE  49  -4.592  -0.852  11.571
  334    HB   ILE  49           HB       ILE  49  -2.664  -3.133  11.110
  335   HG12  ILE  49          HG13      ILE  49  -4.274  -2.422  13.574
  336   HG21  ILE  49          HG21      ILE  49  -1.369  -2.076  12.924
  337   HG22  ILE  49          HG22      ILE  49  -1.500  -1.053  11.493
  338   HG23  ILE  49          HG23      ILE  49  -2.497  -0.721  12.911
  339   HD11  ILE  49          HD11      ILE  49  -3.497  -4.500  14.506
  340   HD12  ILE  49          HD12      ILE  49  -2.544  -4.827  13.059
  341   HD13  ILE  49          HD13      ILE  49  -2.121  -3.471  14.106
  342    H    SER  50           H        SER  50  -4.303   0.837  10.240
  343    HA   SER  50           HA       SER  50  -2.921   0.559   7.723
  344    HB2  SER  50           HB3      SER  50  -3.398   2.975   7.461
  345    HG   SER  50           HG       SER  50  -3.774   4.093   9.184
  346    H    GLU  51           H        GLU  51  -0.819   0.682   7.474
  347    HA   GLU  51           HA       GLU  51   0.728   2.340   9.349
  348    HB2  GLU  51           HB3      GLU  51   1.130   0.028   9.913
  349    HG2  GLU  51           HG3      GLU  51   3.507  -0.237   9.503
  350    H    THR  52           H        THR  52   2.598   3.337   8.515
  351    HA   THR  52           HA       THR  52   2.715   3.452   5.572
  352    HB   THR  52           HB       THR  52   1.769   5.527   6.390
  353    HG1  THR  52           HG1      THR  52   4.506   6.013   5.773
  354   HG21  THR  52          HG21      THR  52   3.014   6.986   7.923
  355   HG22  THR  52          HG22      THR  52   4.248   5.738   8.104
  356   HG23  THR  52          HG23      THR  52   2.608   5.448   8.684
  357    H    SER  53           H        SER  53   4.830   4.198   4.723
  358    HA   SER  53           HA       SER  53   7.051   3.368   6.471
  359    HB2  SER  53           HB3      SER  53   8.162   2.403   4.492
  360    HG   SER  53           HG       SER  53   6.833   2.120   2.604
  361    H    GLU  54           H        GLU  54   8.452   4.935   6.820
  362    HA   GLU  54           HA       GLU  54   8.887   6.946   4.714
  363    HB2  GLU  54           HB3      GLU  54   7.536   7.802   6.659
  364    HG2  GLU  54           HG3      GLU  54   8.968   9.322   5.292
  365    H    GLY  55           H        GLY  55  10.295   5.936   7.837
  366    HA2  GLY  55           HA2      GLY  55  12.513   4.680   7.400
  367    HA3  GLY  55           HA3      GLY  55  12.960   6.187   6.614
  368    H    CYS  56           H        CYS  56  11.574   7.872   8.528
  369    HA   CYS  56           HA       CYS  56  13.194   7.406  10.937
  370    HB2  CYS  56           HB3      CYS  56  12.792  10.046   9.516
  371    HG   CYS  56           HG       CYS  56  14.971   9.898   8.189
  372    H    LEU  57           H        LEU  57  12.443   8.973  12.741
  373    HA   LEU  57           HA       LEU  57   9.497   9.003  12.751
  374    HB2  LEU  57           HB3      LEU  57  10.632   7.334  14.262
  375    HG   LEU  57           HG       LEU  57   9.024   9.426  15.735
  376   HD11  LEU  57          HD11      LEU  57   7.844   8.616  13.774
  377   HD12  LEU  57          HD12      LEU  57   8.144   6.947  14.265
  378   HD13  LEU  57          HD13      LEU  57   7.109   7.985  15.246
  379   HD21  LEU  57          HD21      LEU  57  10.196   7.926  17.245
  380   HD22  LEU  57          HD22      LEU  57   8.468   7.579  17.247
  381   HD23  LEU  57          HD23      LEU  57   9.576   6.530  16.364
  382    H    SER  58           H        SER  58  11.623  11.107  12.084
  383    HA   SER  58           HA       SER  58  11.214  13.082  14.169
  384    HB2  SER  58           HB3      SER  58  12.669  13.273  11.519
  385    HG   SER  58           HG       SER  58  13.474  12.670  14.149
  386    H    GLY  59           H        GLY  59   9.982  12.295  11.004
  387    HA2  GLY  59           HA2      GLY  59   8.747  14.818  10.492
  388    HA3  GLY  59           HA3      GLY  59   8.407  13.308   9.662
  389    H    SER  60           H        SER  60   7.817  11.998  12.293
  390    HA   SER  60           HA       SER  60   6.032  11.569  13.634
  391    HB2  SER  60           HB3      SER  60   5.364  14.487  13.170
  392    HG   SER  60           HG       SER  60   6.598  13.311  15.428
  393    H    CYS  61           H        CYS  61   4.651  13.944  11.360
  394    HA   CYS  61           HA       CYS  61   2.964  13.792   9.842
  395    HB2  CYS  61           HB3      CYS  61   3.550  10.827   9.964
  396    HG   CYS  61           HG       CYS  61   5.677  12.823   9.052
  397    H    LYS  62           H        LYS  62   0.729  12.761   9.503
  398    HA   LYS  62           HA       LYS  62  -0.531  11.330  11.561
  399    HB2  LYS  62           HB3      LYS  62  -1.951  13.322  12.389
  400    HG2  LYS  62           HG3      LYS  62  -0.745  15.437  12.568
  401    HD2  LYS  62           HD3      LYS  62  -1.061  16.238  10.298
  402    HE2  LYS  62           HE3      LYS  62  -3.339  15.471   9.891
  403    HZ1  LYS  62           HZ1      LYS  62  -2.759  15.675  12.795
  404    HZ2  LYS  62           HZ2      LYS  62  -4.267  15.922  12.068
  405    HZ3  LYS  62           HZ3      LYS  62  -2.989  16.982  11.747
  406    H    SER  63           H        SER  63  -3.005  11.614  11.435
  407    HA   SER  63           HA       SER  63  -3.763  11.230   8.726
  408    HB2  SER  63           HB3      SER  63  -4.880  10.030  10.542
  409    HG   SER  63           HG       SER  63  -7.075  11.406   9.853
  410    H    CYS  64           H        CYS  64  -3.877  12.852   7.321
  411    HA   CYS  64           HA       CYS  64  -4.583  15.527   8.167
  412    HB2  CYS  64           HB3      CYS  64  -3.964  14.430   5.414
  413    HG   CYS  64           HG       CYS  64  -1.429  14.482   5.735
  414    HA   PRO  65           HA       PRO  65  -8.885  15.211   7.206
  415    HB2  PRO  65           HB3      PRO  65  -9.488  17.813   6.820
  416    HG2  PRO  65           HG3      PRO  65  -7.347  18.674   6.541
  417    HD2  PRO  65           HD3      PRO  65  -5.475  17.486   7.159
  418    H    GLU  66           H        GLU  66  -6.765  16.993   5.026
  419    HA   GLU  66           HA       GLU  66  -8.493  17.355   2.874
  420    HB2  GLU  66           HB3      GLU  66  -6.276  18.392   3.004
  421    HG2  GLU  66           HG3      GLU  66  -5.462  18.028   0.733
  422    H    GLY  67           H        GLY  67  -5.986  14.817   3.070
  423    HA2  GLY  67           HA2      GLY  67  -6.762  12.473   2.808
  424    HA3  GLY  67           HA3      GLY  67  -7.814  13.074   1.533
  425    H    LYS  68           H        LYS  68  -4.390  13.706   2.246
  426    HA   LYS  68           HA       LYS  68  -3.685  12.474  -0.327
  427    HB2  LYS  68           HB3      LYS  68  -2.734  15.160   0.684
  428    HG2  LYS  68           HG3      LYS  68  -4.943  15.198  -0.438
  429    HD2  LYS  68           HD3      LYS  68  -3.365  14.210  -2.810
  430    HE2  LYS  68           HE3      LYS  68  -5.457  14.355  -4.028
  431    HZ1  LYS  68           HZ1      LYS  68  -4.037  16.323  -4.030
  432    HZ2  LYS  68           HZ2      LYS  68  -4.859  16.936  -2.684
  433    HZ3  LYS  68           HZ3      LYS  68  -5.670  16.745  -4.155
  434    H    ALA  69           H        ALA  69  -2.061  11.071  -0.164
  435    HA   ALA  69           HA       ALA  69   0.101  11.465   1.707
  436    HB1  ALA  69           HB1      ALA  69  -0.209   9.367   2.907
  437    HB2  ALA  69           HB2      ALA  69  -1.591  10.437   3.145
  438    HB3  ALA  69           HB3      ALA  69  -1.712   9.075   2.031
  439    H    ALA  70           H        ALA  70   1.578   9.417   1.634
  440    HA   ALA  70           HA       ALA  70   1.957   8.801  -1.197
  441    HB1  ALA  70           HB1      ALA  70   4.204   8.214  -0.633
  442    HB2  ALA  70           HB2      ALA  70   3.824   9.734   0.175
  443    HB3  ALA  70           HB3      ALA  70   3.832   8.228   1.092
  444    H    CYS  71           H        CYS  71   3.439   6.459  -0.983
  445    HA   CYS  71           HA       CYS  71   1.538   4.479  -1.167
  446    HB2  CYS  71           HB3      CYS  71   3.392   2.866  -0.939
  447    HG   CYS  71           HG       CYS  71   5.680   5.323  -0.539
  448    H    ARG  72           H        ARG  72   0.088   4.033   0.371
  449    HA   ARG  72           HA       ARG  72   1.095   3.430   3.074
  450    HB2  ARG  72           HB3      ARG  72  -1.057   4.205   3.971
  451    HG2  ARG  72           HG3      ARG  72  -1.671   5.337   1.259
  452    HD2  ARG  72           HD3      ARG  72  -3.496   4.896   3.599
  453    HE   ARG  72           HE       ARG  72  -4.113   5.710   1.099
  454   HH11  ARG  72          HH12      ARG  72  -4.123   7.303   4.194
  455   HH12  ARG  72          HH11      ARG  72  -5.433   8.362   3.792
  456   HH21  ARG  72          HH21      ARG  72  -5.840   7.102   0.556
  457   HH22  ARG  72          HH22      ARG  72  -6.410   8.247   1.724
  458    H    GLN  73           H        GLN  73   0.293   1.613   4.091
  459    HA   GLN  73           HA       GLN  73  -1.721   0.018   2.689
  460    HB2  GLN  73           HB3      GLN  73  -0.259  -2.024   3.025
  461    HG2  GLN  73           HG3      GLN  73   2.202  -1.540   2.942
  462   HE21  GLN  73          HE22      GLN  73   2.961  -0.147   5.387
  463   HE22  GLN  73          HE21      GLN  73   2.381  -1.119   6.693
  464    H    GLU  74           H        GLU  74  -2.985  -1.228   4.012
  465    HA   GLU  74           HA       GLU  74  -2.347  -1.094   6.889
  466    HB2  GLU  74           HB3      GLU  74  -4.761  -1.066   7.327
  467    HG2  GLU  74           HG3      GLU  74  -5.043  -0.893   4.340
  468    H    TRP  75           H        TRP  75  -2.983  -2.851   8.204
  469    HA   TRP  75           HA       TRP  75  -2.861  -5.404   6.808
  470    HB2  TRP  75           HB3      TRP  75  -1.361  -4.922   8.745
  471    HD1  TRP  75           HD1      TRP  75  -4.302  -7.250   9.759
  472    HE1  TRP  75           HE1      TRP  75  -3.389  -9.653   9.887
  473    HE3  TRP  75           HE3      TRP  75   0.509  -6.375   8.267
  474    HZ2  TRP  75           HZ2      TRP  75  -0.951 -11.000   9.423
  475    HZ3  TRP  75           HZ3      TRP  75   2.068  -8.274   8.139
  476    HH2  TRP  75           HH2      TRP  75   1.353 -10.538   8.707
  477    H    TRP  76           H        TRP  76  -4.326  -7.134   7.277
  478    HA   TRP  76           HA       TRP  76  -6.917  -6.276   8.378
  479    HB2  TRP  76           HB3      TRP  76  -6.909  -6.334   5.865
  480    HD1  TRP  76           HD1      TRP  76  -9.371  -5.516   6.252
  481    HE1  TRP  76           HE1      TRP  76 -11.617  -6.736   6.562
  482    HE3  TRP  76           HE3      TRP  76  -7.621 -10.254   7.029
  483    HZ2  TRP  76           HZ2      TRP  76 -12.526  -9.360   7.069
  484    HZ3  TRP  76           HZ3      TRP  76  -9.242 -12.062   7.420
  485    HH2  TRP  76           HH2      TRP  76 -11.644 -11.623   7.439
  486    H    ALA  77           H        ALA  77  -7.614  -7.546   9.963
  487    HA   ALA  77           HA       ALA  77  -7.058 -10.402   9.908
  488    HB1  ALA  77           HB1      ALA  77  -6.209  -8.671  12.227
  489    HB2  ALA  77           HB2      ALA  77  -6.149 -10.433  12.177
  490    HB3  ALA  77           HB3      ALA  77  -5.134  -9.485  11.091
  491    H    LEU  78           H        LEU  78  -8.146 -11.508  11.816
  492    HA   LEU  78           HA       LEU  78 -10.782 -10.271  12.204
  493    HB2  LEU  78           HB3      LEU  78  -9.976 -13.164  12.495
  494    HG   LEU  78           HG       LEU  78 -11.433 -11.813  10.228
  495   HD11  LEU  78          HD11      LEU  78  -8.814 -13.231  10.514
  496   HD12  LEU  78          HD12      LEU  78  -9.652 -13.180   8.961
  497   HD13  LEU  78          HD13      LEU  78  -9.167 -11.679   9.750
  498   HD21  LEU  78          HD21      LEU  78 -11.739 -14.095   9.341
  499   HD22  LEU  78          HD22      LEU  78 -11.128 -14.742  10.864
  500   HD23  LEU  78          HD23      LEU  78 -12.631 -13.820  10.839
  501    H    ARG  79           H        ARG  79 -11.863 -11.256  14.308
  502    HA   ARG  79           HA       ARG  79 -10.224 -10.326  16.500
  503    HB2  ARG  79           HB3      ARG  79 -13.094 -11.232  16.306
  504    HG2  ARG  79           HG3      ARG  79 -12.592  -8.971  15.461
  505    HD2  ARG  79           HD3      ARG  79 -10.686  -8.423  16.862
  506    HE   ARG  79           HE       ARG  79 -12.376  -9.072  19.052
  507   HH11  ARG  79          HH12      ARG  79  -9.777  -6.967  18.080
  508   HH12  ARG  79          HH11      ARG  79  -9.151  -6.784  19.684
  509   HH21  ARG  79          HH21      ARG  79 -11.560  -8.839  21.170
  510   HH22  ARG  79          HH22      ARG  79 -10.166  -7.846  21.442
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -6.752  -6.618 -13.589
    2    H2   MET   1           H2       MET   1  -5.658  -5.502 -12.938
    3    H3   MET   1           H3       MET   1  -6.621  -5.070 -14.259
    4    HA   MET   1           HA       MET   1  -7.454  -4.082 -12.231
    5    HB2  MET   1           HB3      MET   1  -9.036  -4.675 -14.011
    6    HG2  MET   1           HG3      MET   1 -10.187  -5.351 -11.313
    7    HE1  MET   1           HE1      MET   1 -12.793  -6.881 -13.830
    8    HE2  MET   1           HE2      MET   1 -11.034  -6.961 -13.926
    9    HE3  MET   1           HE3      MET   1 -11.842  -7.174 -12.374
   10    H    ALA   2           H        ALA   2  -6.825  -4.334 -10.184
   11    HA   ALA   2           HA       ALA   2  -6.997  -6.957  -8.911
   12    HB1  ALA   2           HB1      ALA   2  -5.839  -4.382  -7.848
   13    HB2  ALA   2           HB2      ALA   2  -5.691  -5.980  -7.116
   14    HB3  ALA   2           HB3      ALA   2  -4.928  -5.647  -8.671
   15    H    SER   3           H        SER   3  -8.594  -7.513  -7.578
   16    HA   SER   3           HA       SER   3 -10.331  -5.377  -6.521
   17    HB2  SER   3           HB3      SER   3 -11.085  -8.213  -7.273
   18    HG   SER   3           HG       SER   3 -10.766  -6.582  -8.990
   19    H    LEU   4           H        LEU   4 -11.273  -5.721  -4.436
   20    HA   LEU   4           HA       LEU   4  -9.459  -6.730  -2.530
   21    HB2  LEU   4           HB3      LEU   4 -11.187  -6.241  -0.880
   22    HG   LEU   4           HG       LEU   4 -13.005  -5.873  -3.250
   23   HD11  LEU   4          HD11      LEU   4 -13.309  -8.015  -2.422
   24   HD12  LEU   4          HD12      LEU   4 -13.033  -7.518  -0.753
   25   HD13  LEU   4          HD13      LEU   4 -14.537  -7.091  -1.564
   26   HD21  LEU   4          HD21      LEU   4 -13.115  -3.831  -1.949
   27   HD22  LEU   4          HD22      LEU   4 -14.580  -4.783  -1.711
   28   HD23  LEU   4          HD23      LEU   4 -13.332  -4.761  -0.466
   29    H    MET   5           H        MET   5 -11.757  -8.341  -4.442
   30    HA   MET   5           HA       MET   5 -12.587 -10.371  -2.668
   31    HB2  MET   5           HB3      MET   5 -12.411 -10.216  -5.670
   32    HG2  MET   5           HG3      MET   5 -14.877 -10.440  -5.506
   33    HE1  MET   5           HE1      MET   5 -16.270  -6.853  -4.757
   34    HE2  MET   5           HE2      MET   5 -16.607  -8.424  -5.484
   35    HE3  MET   5           HE3      MET   5 -16.444  -8.279  -3.734
   36    H    GLU   6           H        GLU   6  -9.747  -9.974  -4.686
   37    HA   GLU   6           HA       GLU   6  -8.772 -12.598  -4.610
   38    HB2  GLU   6           HB3      GLU   6  -7.242  -9.993  -4.703
   39    HG2  GLU   6           HG3      GLU   6  -8.091 -11.821  -6.940
   40    H    VAL   7           H        VAL   7  -7.643  -9.848  -2.634
   41    HA   VAL   7           HA       VAL   7  -6.197 -11.395  -0.800
   42    HB   VAL   7           HB       VAL   7  -7.492  -8.704  -0.331
   43   HG11  VAL   7          HG11      VAL   7  -5.240 -10.098   1.110
   44   HG12  VAL   7          HG12      VAL   7  -5.728  -8.424   1.374
   45   HG13  VAL   7          HG13      VAL   7  -6.842  -9.738   1.754
   46   HG21  VAL   7          HG21      VAL   7  -5.310  -7.772  -0.950
   47   HG22  VAL   7          HG22      VAL   7  -4.731  -9.393  -1.334
   48   HG23  VAL   7          HG23      VAL   7  -6.034  -8.675  -2.280
   49    H    ARG   8           H        ARG   8  -9.562 -10.546  -1.005
   50    HA   ARG   8           HA       ARG   8 -10.419 -11.056   1.591
   51    HB2  ARG   8           HB3      ARG   8 -11.901 -10.053  -0.015
   52    HG2  ARG   8           HG3      ARG   8 -12.963 -12.791   0.643
   53    HD2  ARG   8           HD3      ARG   8 -14.411 -10.223   0.003
   54    HE   ARG   8           HE       ARG   8 -15.361 -12.506   1.324
   55   HH11  ARG   8          HH12      ARG   8 -16.198 -10.420  -1.337
   56   HH12  ARG   8          HH11      ARG   8 -17.901 -10.693  -1.185
   57   HH21  ARG   8          HH21      ARG   8 -17.602 -12.875   1.531
   58   HH22  ARG   8          HH22      ARG   8 -18.701 -12.089   0.446
   59    H    ASP   9           H        ASP   9 -10.024 -13.268  -1.151
   60    HA   ASP   9           HA       ASP   9 -10.910 -15.577   0.259
   61    HB2  ASP   9           HB3      ASP   9 -10.949 -15.446  -2.200
   62    H    MET  10           H        MET  10  -7.749 -14.147  -0.406
   63    HA   MET  10           HA       MET  10  -6.067 -16.140   0.485
   64    HB2  MET  10           HB3      MET  10  -5.781 -13.158   0.905
   65    HG2  MET  10           HG3      MET  10  -5.976 -13.748  -1.455
   66    HE1  MET  10           HE1      MET  10  -5.033 -14.716  -3.756
   67    HE2  MET  10           HE2      MET  10  -3.422 -14.142  -3.329
   68    HE3  MET  10           HE3      MET  10  -3.652 -15.809  -3.856
   69    H    LEU  11           H        LEU  11  -7.465 -13.518   2.456
   70    HA   LEU  11           HA       LEU  11  -6.515 -14.586   4.916
   71    HB2  LEU  11           HB3      LEU  11  -8.537 -12.479   4.210
   72    HG   LEU  11           HG       LEU  11  -7.034 -10.928   5.279
   73   HD11  LEU  11          HD11      LEU  11  -4.907 -11.596   6.216
   74   HD12  LEU  11          HD12      LEU  11  -6.220 -12.437   7.039
   75   HD13  LEU  11          HD13      LEU  11  -5.242 -13.286   5.840
   76   HD21  LEU  11          HD21      LEU  11  -5.109 -11.072   3.781
   77   HD22  LEU  11          HD22      LEU  11  -5.535 -12.739   3.390
   78   HD23  LEU  11          HD23      LEU  11  -6.614 -11.420   2.930
   79    H    ALA  12           H        ALA  12  -9.398 -15.034   3.016
   80    HA   ALA  12           HA       ALA  12 -11.128 -16.063   4.948
   81    HB1  ALA  12           HB1      ALA  12 -10.934 -16.807   2.033
   82    HB2  ALA  12           HB2      ALA  12 -12.311 -17.121   3.090
   83    HB3  ALA  12           HB3      ALA  12 -11.857 -15.461   2.703
   84    H    LEU  13           H        LEU  13  -8.494 -17.562   3.197
   85    HA   LEU  13           HA       LEU  13  -9.135 -20.187   4.301
   86    HB2  LEU  13           HB3      LEU  13  -6.950 -19.310   2.410
   87    HG   LEU  13           HG       LEU  13  -9.401 -19.335   1.563
   88   HD11  LEU  13          HD11      LEU  13  -8.685 -20.264  -0.587
   89   HD12  LEU  13          HD12      LEU  13  -7.472 -19.186   0.103
   90   HD13  LEU  13          HD13      LEU  13  -7.249 -20.933   0.187
   91   HD21  LEU  13          HD21      LEU  13 -10.025 -21.445   2.639
   92   HD22  LEU  13          HD22      LEU  13 -10.214 -21.527   0.888
   93   HD23  LEU  13          HD23      LEU  13  -8.828 -22.296   1.662
   94    H    GLN  14           H        GLN  14  -6.491 -17.815   4.352
   95    HA   GLN  14           HA       GLN  14  -5.173 -19.315   6.480
   96    HB2  GLN  14           HB3      GLN  14  -4.315 -16.845   4.962
   97    HG2  GLN  14           HG3      GLN  14  -3.287 -19.670   4.827
   98   HE21  GLN  14          HE22      GLN  14  -1.144 -19.089   5.125
   99   HE22  GLN  14          HE21      GLN  14  -0.267 -18.166   3.958
  100    H    GLY  15           H        GLY  15  -5.537 -15.804   6.052
  101    HA2  GLY  15           HA2      GLY  15  -6.871 -14.422   7.493
  102    HA3  GLY  15           HA3      GLY  15  -6.752 -15.666   8.728
  103    H    ARG  16           H        ARG  16  -6.184 -12.865   9.039
  104    HA   ARG  16           HA       ARG  16  -4.643 -11.474   9.965
  105    HB2  ARG  16           HB3      ARG  16  -3.522 -14.158  10.752
  106    HG2  ARG  16           HG3      ARG  16  -4.268 -13.568  12.984
  107    HD2  ARG  16           HD3      ARG  16  -6.659 -13.690  12.667
  108    HE   ARG  16           HE       ARG  16  -4.954 -15.409  11.179
  109   HH11  ARG  16          HH12      ARG  16  -8.296 -14.597  11.725
  110   HH12  ARG  16          HH11      ARG  16  -8.884 -16.171  11.300
  111   HH21  ARG  16          HH21      ARG  16  -5.716 -17.489  10.620
  112   HH22  ARG  16          HH22      ARG  16  -7.415 -17.816  10.674
  113    H    MET  17           H        MET  17  -3.924 -10.545   8.036
  114    HA   MET  17           HA       MET  17  -1.141 -10.949   7.473
  115    HB2  MET  17           HB3      MET  17  -3.171 -11.593   5.328
  116    HG2  MET  17           HG3      MET  17  -1.043 -13.262   6.638
  117    HE1  MET  17           HE1      MET  17  -3.383 -12.731   3.527
  118    HE2  MET  17           HE2      MET  17  -3.356 -14.331   2.787
  119    HE3  MET  17           HE3      MET  17  -4.138 -14.095   4.350
  120    H    GLU  18           H        GLU  18  -0.544  -9.521   5.468
  121    HA   GLU  18           HA       GLU  18  -2.036  -6.995   5.726
  122    HB2  GLU  18           HB3      GLU  18   0.127  -5.864   5.202
  123    HG2  GLU  18           HG3      GLU  18   1.168  -7.982   4.199
  124    H    ALA  19           H        ALA  19  -2.195  -5.662   3.851
  125    HA   ALA  19           HA       ALA  19  -2.452  -7.206   1.427
  126    HB1  ALA  19           HB1      ALA  19  -2.980  -4.277   1.890
  127    HB2  ALA  19           HB2      ALA  19  -3.495  -5.234   0.500
  128    HB3  ALA  19           HB3      ALA  19  -4.158  -5.571   2.098
  129    H    LYS  20           H        LYS  20  -0.010  -5.305   2.841
  130    HA   LYS  20           HA       LYS  20   1.149  -4.184   0.519
  131    HB2  LYS  20           HB3      LYS  20   3.148  -3.862   1.907
  132    HG2  LYS  20           HG3      LYS  20   1.692  -5.406   4.044
  133    HD2  LYS  20           HD3      LYS  20   4.399  -4.075   4.021
  134    HE2  LYS  20           HE3      LYS  20   2.982  -5.514   6.257
  135    HZ1  LYS  20           HZ1      LYS  20   5.709  -4.353   6.078
  136    HZ2  LYS  20           HZ2      LYS  20   5.124  -5.272   7.373
  137    HZ3  LYS  20           HZ3      LYS  20   4.437  -3.765   7.026
  138    H    GLN  21           H        GLN  21   1.800  -7.183   2.306
  139    HA   GLN  21           HA       GLN  21   3.945  -8.073   0.737
  140    HB2  GLN  21           HB3      GLN  21   1.910  -9.587   2.372
  141    HG2  GLN  21           HG3      GLN  21   3.532  -8.107   3.578
  142   HE21  GLN  21          HE22      GLN  21   5.675  -9.659   4.798
  143   HE22  GLN  21          HE21      GLN  21   7.040  -9.498   3.752
  144    H    LEU  22           H        LEU  22   0.509  -9.009   0.577
  145    HA   LEU  22           HA       LEU  22   0.746 -10.601  -1.726
  146    HB2  LEU  22           HB3      LEU  22  -1.684  -9.081  -0.778
  147    HG   LEU  22           HG       LEU  22  -0.858 -10.528   1.034
  148   HD11  LEU  22          HD11      LEU  22  -3.313 -11.603  -0.344
  149   HD12  LEU  22          HD12      LEU  22  -2.899 -11.817   1.357
  150   HD13  LEU  22          HD13      LEU  22  -3.261 -10.208   0.733
  151   HD21  LEU  22          HD21      LEU  22  -1.146 -12.754  -0.982
  152   HD22  LEU  22          HD22      LEU  22   0.376 -12.135  -0.338
  153   HD23  LEU  22          HD23      LEU  22  -0.771 -12.944   0.731
  154    H    SER  23           H        SER  23   0.047  -7.168  -1.301
  155    HA   SER  23           HA       SER  23  -0.572  -6.642  -4.018
  156    HB2  SER  23           HB3      SER  23  -0.311  -4.276  -3.412
  157    HG   SER  23           HG       SER  23   1.527  -4.592  -2.013
  158    H    ALA  24           H        ALA  24   2.400  -6.526  -2.131
  159    HA   ALA  24           HA       ALA  24   3.958  -5.467  -4.311
  160    HB1  ALA  24           HB1      ALA  24   4.857  -6.629  -1.676
  161    HB2  ALA  24           HB2      ALA  24   5.859  -5.721  -2.809
  162    HB3  ALA  24           HB3      ALA  24   4.514  -4.927  -1.988
  163    H    ARG  25           H        ARG  25   3.133  -8.601  -3.053
  164    HA   ARG  25           HA       ARG  25   5.238 -10.106  -4.150
  165    HB2  ARG  25           HB3      ARG  25   3.653 -10.968  -2.458
  166    HG2  ARG  25           HG3      ARG  25   3.629 -12.604  -4.988
  167    HD2  ARG  25           HD3      ARG  25   3.412 -14.514  -3.456
  168    HE   ARG  25           HE       ARG  25   1.311 -12.769  -4.025
  169   HH11  ARG  25          HH12      ARG  25   2.103 -15.281  -1.746
  170   HH12  ARG  25          HH11      ARG  25   0.458 -15.775  -1.521
  171   HH21  ARG  25          HH21      ARG  25  -0.860 -13.411  -3.736
  172   HH22  ARG  25          HH22      ARG  25  -1.226 -14.713  -2.654
  173    H    LEU  26           H        LEU  26   2.405  -8.696  -5.565
  174    HA   LEU  26           HA       LEU  26   3.145  -9.897  -8.152
  175    HB2  LEU  26           HB3      LEU  26   0.353  -9.206  -7.238
  176    HG   LEU  26           HG       LEU  26   1.066 -11.251  -6.107
  177   HD11  LEU  26          HD11      LEU  26  -1.242 -11.077  -6.890
  178   HD12  LEU  26          HD12      LEU  26  -0.775 -11.794  -8.432
  179   HD13  LEU  26          HD13      LEU  26  -0.667 -12.745  -6.950
  180   HD21  LEU  26          HD21      LEU  26   1.690 -13.231  -7.435
  181   HD22  LEU  26          HD22      LEU  26   1.725 -12.227  -8.884
  182   HD23  LEU  26          HD23      LEU  26   2.867 -11.925  -7.573
  183    H    GLN  27           H        GLN  27   3.557  -7.187  -6.637
  184    HA   GLN  27           HA       GLN  27   3.712  -4.986  -7.173
  185    HB2  GLN  27           HB3      GLN  27   3.565  -6.090  -9.983
  186    HG2  GLN  27           HG3      GLN  27   5.461  -7.004  -8.782
  187   HE21  GLN  27          HE22      GLN  27   6.801  -3.844  -9.353
  188   HE22  GLN  27          HE21      GLN  27   7.353  -3.566  -7.738
  189    H    THR  28           H        THR  28   1.983  -3.880  -6.510
  190    HA   THR  28           HA       THR  28  -0.142  -3.359  -8.420
  191    HB   THR  28           HB       THR  28  -0.767  -4.421  -5.657
  192    HG1  THR  28           HG1      THR  28  -1.734  -6.139  -6.890
  193   HG21  THR  28          HG21      THR  28  -2.648  -3.615  -7.877
  194   HG22  THR  28          HG22      THR  28  -2.306  -2.642  -6.446
  195   HG23  THR  28          HG23      THR  28  -3.093  -4.210  -6.279
  196    HA   PRO  29           HA       PRO  29   0.346   0.810  -7.033
  197    HB2  PRO  29           HB3      PRO  29  -2.648   0.757  -7.097
  198    HG2  PRO  29           HG3      PRO  29  -2.689   0.200  -9.362
  199    HD2  PRO  29           HD3      PRO  29  -2.118  -1.859  -8.521
  200    H    GLN  30           H        GLN  30   1.023   0.865  -4.966
  201    HA   GLN  30           HA       GLN  30  -0.247  -0.253  -2.753
  202    HB2  GLN  30           HB3      GLN  30   1.594   2.142  -2.754
  203    HG2  GLN  30           HG3      GLN  30   2.294  -0.778  -2.568
  204   HE21  GLN  30          HE22      GLN  30   3.468  -0.518  -0.669
  205   HE22  GLN  30          HE21      GLN  30   4.951   0.368  -0.619
  206    HA   PRO  31           HA       PRO  31  -1.939   4.379  -2.029
  207    HB2  PRO  31           HB3      PRO  31  -2.686   4.730  -4.895
  208    HG2  PRO  31           HG3      PRO  31  -0.499   5.111  -5.589
  209    HD2  PRO  31           HD3      PRO  31  -0.424   2.825  -5.309
  210    H    LEU  32           H        LEU  32  -3.005   1.927  -4.285
  211    HA   LEU  32           HA       LEU  32  -5.812   2.397  -3.753
  212    HB2  LEU  32           HB3      LEU  32  -4.971   1.659  -5.976
  213    HG   LEU  32           HG       LEU  32  -6.679   0.172  -6.556
  214   HD11  LEU  32          HD11      LEU  32  -5.905  -1.584  -4.912
  215   HD12  LEU  32          HD12      LEU  32  -6.932  -0.791  -3.720
  216   HD13  LEU  32          HD13      LEU  32  -7.645  -1.478  -5.177
  217   HD21  LEU  32          HD21      LEU  32  -7.545   2.263  -5.643
  218   HD22  LEU  32          HD22      LEU  32  -8.646   0.924  -5.325
  219   HD23  LEU  32          HD23      LEU  32  -7.614   1.540  -4.037
  220    H    ILE  33           H        ILE  33  -3.343   0.009  -2.931
  221    HA   ILE  33           HA       ILE  33  -4.811  -1.952  -1.715
  222    HB   ILE  33           HB       ILE  33  -2.175  -0.834  -0.748
  223   HG12  ILE  33          HG13      ILE  33  -2.107  -1.524  -3.093
  224   HG21  ILE  33          HG21      ILE  33  -1.870  -3.170   0.141
  225   HG22  ILE  33          HG22      ILE  33  -3.059  -2.180   0.990
  226   HG23  ILE  33          HG23      ILE  33  -3.592  -3.416  -0.149
  227   HD11  ILE  33          HD11      ILE  33  -3.069  -4.209  -2.136
  228   HD12  ILE  33          HD12      ILE  33  -3.970  -3.086  -3.154
  229   HD13  ILE  33          HD13      ILE  33  -2.490  -3.828  -3.759
  230    H    ASP  34           H        ASP  34  -3.552   0.980  -0.113
  231    HA   ASP  34           HA       ASP  34  -4.505   0.581   2.426
  232    HB2  ASP  34           HB3      ASP  34  -3.105   2.475   1.903
  233    H    ALA  35           H        ALA  35  -6.250   1.680  -0.403
  234    HA   ALA  35           HA       ALA  35  -8.679   2.255   1.022
  235    HB1  ALA  35           HB1      ALA  35  -8.202   1.935  -1.937
  236    HB2  ALA  35           HB2      ALA  35  -9.637   2.632  -1.183
  237    HB3  ALA  35           HB3      ALA  35  -8.078   3.447  -1.036
  238    H    MET  36           H        MET  36  -7.240  -0.499  -0.503
  239    HA   MET  36           HA       MET  36  -9.561  -2.005  -1.026
  240    HB2  MET  36           HB3      MET  36  -7.362  -2.572  -1.963
  241    HG2  MET  36           HG3      MET  36  -8.349  -4.801  -0.199
  242    HE1  MET  36           HE1      MET  36  -4.685  -5.849  -1.216
  243    HE2  MET  36           HE2      MET  36  -5.244  -4.238  -0.765
  244    HE3  MET  36           HE3      MET  36  -5.812  -5.650   0.127
  245    H    LEU  37           H        LEU  37  -7.322  -2.114   1.744
  246    HA   LEU  37           HA       LEU  37  -9.005  -3.902   3.218
  247    HB2  LEU  37           HB3      LEU  37  -6.504  -2.373   3.805
  248    HG   LEU  37           HG       LEU  37  -7.056  -5.291   4.302
  249   HD11  LEU  37          HD11      LEU  37  -6.085  -5.807   2.174
  250   HD12  LEU  37          HD12      LEU  37  -7.450  -4.721   1.921
  251   HD13  LEU  37          HD13      LEU  37  -5.804  -4.099   1.837
  252   HD21  LEU  37          HD21      LEU  37  -5.141  -4.267   5.454
  253   HD22  LEU  37          HD22      LEU  37  -4.638  -5.467   4.264
  254   HD23  LEU  37          HD23      LEU  37  -4.497  -3.748   3.897
  255    H    GLU  38           H        GLU  38  -8.299  -0.426   3.390
  256    HA   GLU  38           HA       GLU  38  -9.827   0.158   5.654
  257    HB2  GLU  38           HB3      GLU  38  -8.244   1.743   4.665
  258    HG2  GLU  38           HG3      GLU  38 -11.026   2.889   4.605
  259    H    ARG  39           H        ARG  39 -10.750   0.032   2.235
  260    HA   ARG  39           HA       ARG  39 -13.422   0.912   2.656
  261    HB2  ARG  39           HB3      ARG  39 -12.416   1.125   0.467
  262    HG2  ARG  39           HG3      ARG  39 -14.514  -1.014   0.219
  263    HD2  ARG  39           HD3      ARG  39 -13.345  -0.303  -1.854
  264    HE   ARG  39           HE       ARG  39 -13.465   2.246  -0.920
  265   HH11  ARG  39          HH12      ARG  39 -14.679   0.629  -3.754
  266   HH12  ARG  39          HH11      ARG  39 -14.590   2.038  -4.757
  267   HH21  ARG  39          HH21      ARG  39 -13.345   4.111  -2.231
  268   HH22  ARG  39          HH22      ARG  39 -13.831   4.018  -3.892
  269    H    MET  40           H        MET  40 -11.907  -2.273   2.387
  270    HA   MET  40           HA       MET  40 -14.132  -3.894   2.292
  271    HB2  MET  40           HB3      MET  40 -11.810  -4.707   2.128
  272    HG2  MET  40           HG3      MET  40 -11.979  -6.745   3.465
  273    HE1  MET  40           HE1      MET  40 -14.731  -8.234   3.778
  274    HE2  MET  40           HE2      MET  40 -15.045  -8.805   2.139
  275    HE3  MET  40           HE3      MET  40 -13.419  -8.905   2.810
  276    H    GLU  41           H        GLU  41 -12.431  -2.823   5.235
  277    HA   GLU  41           HA       GLU  41 -14.480  -3.831   6.963
  278    HB2  GLU  41           HB3      GLU  41 -12.169  -3.732   7.718
  279    HG2  GLU  41           HG3      GLU  41 -13.850  -1.769   9.258
  280    H    ALA  42           H        ALA  42 -13.981  -0.895   5.241
  281    HA   ALA  42           HA       ALA  42 -15.209   1.011   6.802
  282    HB1  ALA  42           HB1      ALA  42 -15.755   2.180   4.742
  283    HB2  ALA  42           HB2      ALA  42 -14.138   1.480   4.644
  284    HB3  ALA  42           HB3      ALA  42 -15.486   0.704   3.815
  285    H    MET  43           H        MET  43 -16.615  -1.714   5.201
  286    HA   MET  43           HA       MET  43 -19.324  -0.697   5.642
  287    HB2  MET  43           HB3      MET  43 -18.459  -3.253   4.279
  288    HG2  MET  43           HG3      MET  43 -17.617  -1.402   2.986
  289    HE1  MET  43           HE1      MET  43 -21.470  -1.067   2.254
  290    HE2  MET  43           HE2      MET  43 -21.384  -0.947   4.013
  291    HE3  MET  43           HE3      MET  43 -21.841   0.461   3.053
  292    H    GLY  44           H        GLY  44 -17.008  -2.917   6.920
  293    HA2  GLY  44           HA2      GLY  44 -17.493  -3.483   9.307
  294    HA3  GLY  44           HA3      GLY  44 -19.073  -4.006   8.732
  295    H    LYS  45           H        LYS  45 -15.614  -4.692   8.612
  296    HA   LYS  45           HA       LYS  45 -16.222  -7.390   7.636
  297    HB2  LYS  45           HB3      LYS  45 -14.580  -6.292   6.281
  298    HG2  LYS  45           HG3      LYS  45 -12.643  -7.696   6.449
  299    HD2  LYS  45           HD3      LYS  45 -15.106  -9.195   7.335
  300    HE2  LYS  45           HE3      LYS  45 -12.648 -10.131   5.858
  301    HZ1  LYS  45           HZ1      LYS  45 -13.694 -12.302   5.966
  302    HZ2  LYS  45           HZ2      LYS  45 -14.660 -11.226   5.085
  303    HZ3  LYS  45           HZ3      LYS  45 -15.079 -11.633   6.672
  304    H    VAL  46           H        VAL  46 -13.383  -6.458   9.515
  305    HA   VAL  46           HA       VAL  46 -14.352  -7.705  11.922
  306    HB   VAL  46           HB       VAL  46 -12.144  -9.051  10.352
  307   HG11  VAL  46          HG11      VAL  46 -13.110  -9.468  13.171
  308   HG12  VAL  46          HG12      VAL  46 -12.204 -10.686  12.277
  309   HG13  VAL  46          HG13      VAL  46 -11.471  -9.119  12.621
  310   HG21  VAL  46          HG21      VAL  46 -14.296  -9.695   9.530
  311   HG22  VAL  46          HG22      VAL  46 -13.658 -11.019  10.504
  312   HG23  VAL  46          HG23      VAL  46 -14.898  -9.955  11.167
  313    H    VAL  47           H        VAL  47 -10.987  -7.606  10.802
  314    HA   VAL  47           HA       VAL  47 -10.493  -5.211  12.388
  315    HB   VAL  47           HB       VAL  47  -9.027  -7.810  12.879
  316   HG11  VAL  47          HG11      VAL  47  -7.795  -6.558  14.595
  317   HG12  VAL  47          HG12      VAL  47  -7.509  -5.912  12.979
  318   HG13  VAL  47          HG13      VAL  47  -8.602  -5.076  14.082
  319   HG21  VAL  47          HG21      VAL  47 -10.785  -6.192  14.722
  320   HG22  VAL  47          HG22      VAL  47 -11.255  -7.692  13.923
  321   HG23  VAL  47          HG23      VAL  47  -9.957  -7.698  15.116
  322    H    ARG  48           H        ARG  48  -8.588  -4.119  11.855
  323    HA   ARG  48           HA       ARG  48  -6.837  -5.184   9.805
  324    HB2  ARG  48           HB3      ARG  48  -7.199  -3.184   8.329
  325    HG2  ARG  48           HG3      ARG  48  -9.557  -2.226   8.485
  326    HD2  ARG  48           HD3      ARG  48  -7.663  -1.361  10.660
  327    HE   ARG  48           HE       ARG  48  -9.996  -0.210  10.004
  328   HH11  ARG  48          HH12      ARG  48  -6.688   0.742   9.466
  329   HH12  ARG  48          HH11      ARG  48  -7.033   2.439   9.517
  330   HH21  ARG  48          HH21      ARG  48 -10.460   2.025  10.073
  331   HH22  ARG  48          HH22      ARG  48  -9.176   3.168   9.860
  332    H    ILE  49           H        ILE  49  -5.000  -3.681   9.365
  333    HA   ILE  49           HA       ILE  49  -4.576  -1.743  11.536
  334    HB   ILE  49           HB       ILE  49  -2.357  -3.551  10.614
  335   HG12  ILE  49          HG13      ILE  49  -4.084  -3.968  13.062
  336   HG21  ILE  49          HG21      ILE  49  -1.344  -2.872  12.741
  337   HG22  ILE  49          HG22      ILE  49  -1.711  -1.485  11.718
  338   HG23  ILE  49          HG23      ILE  49  -2.755  -1.871  13.085
  339   HD11  ILE  49          HD11      ILE  49  -1.994  -5.748  11.836
  340   HD12  ILE  49          HD12      ILE  49  -1.799  -4.801  13.310
  341   HD13  ILE  49          HD13      ILE  49  -2.981  -6.108  13.251
  342    H    SER  50           H        SER  50  -4.459   0.144  10.500
  343    HA   SER  50           HA       SER  50  -3.422   0.385   7.835
  344    HB2  SER  50           HB3      SER  50  -3.859   2.804   8.139
  345    HG   SER  50           HG       SER  50  -5.103   2.512  10.554
  346    H    GLU  51           H        GLU  51  -1.304   0.240   7.470
  347    HA   GLU  51           HA       GLU  51   0.518   1.627   9.325
  348    HB2  GLU  51           HB3      GLU  51   0.850  -0.784   9.411
  349    HG2  GLU  51           HG3      GLU  51   3.058   0.501   7.821
  350    H    THR  52           H        THR  52   2.008   3.015   8.500
  351    HA   THR  52           HA       THR  52   1.951   3.434   5.581
  352    HB   THR  52           HB       THR  52   0.927   5.314   6.748
  353    HG1  THR  52           HG1      THR  52   2.073   6.831   5.667
  354   HG21  THR  52          HG21      THR  52   2.009   5.073   8.916
  355   HG22  THR  52          HG22      THR  52   2.253   6.702   8.289
  356   HG23  THR  52          HG23      THR  52   3.562   5.524   8.211
  357    H    SER  53           H        SER  53   3.958   4.561   4.759
  358    HA   SER  53           HA       SER  53   6.385   4.271   6.250
  359    HB2  SER  53           HB3      SER  53   6.051   1.922   5.659
  360    HG   SER  53           HG       SER  53   7.981   1.693   4.306
  361    H    GLU  54           H        GLU  54   7.821   5.711   5.533
  362    HA   GLU  54           HA       GLU  54   8.033   6.393   2.740
  363    HB2  GLU  54           HB3      GLU  54   7.566   8.780   3.025
  364    HG2  GLU  54           HG3      GLU  54   6.561   8.079   5.774
  365    H    GLY  55           H        GLY  55   9.670   5.383   5.024
  366    HA2  GLY  55           HA2      GLY  55  12.143   5.922   4.619
  367    HA3  GLY  55           HA3      GLY  55  11.686   7.528   5.171
  368    H    CYS  56           H        CYS  56   9.800   6.452   7.163
  369    HA   CYS  56           HA       CYS  56  11.555   6.318   9.359
  370    HB2  CYS  56           HB3      CYS  56   8.641   5.528   9.189
  371    HG   CYS  56           HG       CYS  56  10.130   8.528   9.520
  372    H    LEU  57           H        LEU  57  11.003   4.412  11.052
  373    HA   LEU  57           HA       LEU  57  11.890   1.973   9.687
  374    HB2  LEU  57           HB3      LEU  57  11.978   2.661  12.626
  375    HG   LEU  57           HG       LEU  57  13.548   4.114  11.504
  376   HD11  LEU  57          HD11      LEU  57  15.638   3.334  12.499
  377   HD12  LEU  57          HD12      LEU  57  14.277   3.103  13.594
  378   HD13  LEU  57          HD13      LEU  57  14.941   1.728  12.712
  379   HD21  LEU  57          HD21      LEU  57  15.313   3.224  10.059
  380   HD22  LEU  57          HD22      LEU  57  14.593   1.618  10.171
  381   HD23  LEU  57          HD23      LEU  57  13.709   2.926   9.384
  382    H    SER  58           H        SER  58  11.164  -0.111  10.792
  383    HA   SER  58           HA       SER  58   8.263  -0.065  10.899
  384    HB2  SER  58           HB3      SER  58   8.448  -2.531  10.843
  385    HG   SER  58           HG       SER  58  10.284  -3.496  11.198
  386    H    GLY  59           H        GLY  59  10.958  -0.393  13.052
  387    HA2  GLY  59           HA2      GLY  59   9.825  -1.777  15.183
  388    HA3  GLY  59           HA3      GLY  59  11.066  -0.543  15.340
  389    H    SER  60           H        SER  60   9.520   1.623  14.307
  390    HA   SER  60           HA       SER  60   7.981   2.215  16.684
  391    HB2  SER  60           HB3      SER  60   8.619   3.932  14.272
  392    HG   SER  60           HG       SER  60   9.751   3.891  16.876
  393    H    CYS  61           H        CYS  61   5.847   3.330  16.447
  394    HA   CYS  61           HA       CYS  61   4.241   1.961  14.393
  395    HB2  CYS  61           HB3      CYS  61   3.379   2.993  17.103
  396    HG   CYS  61           HG       CYS  61   3.054  -0.274  16.525
  397    H    LYS  62           H        LYS  62   4.323   4.960  16.312
  398    HA   LYS  62           HA       LYS  62   3.055   6.339  14.037
  399    HB2  LYS  62           HB3      LYS  62   2.951   7.075  16.970
  400    HG2  LYS  62           HG3      LYS  62   0.741   6.065  15.190
  401    HD2  LYS  62           HD3      LYS  62   0.010   7.683  16.888
  402    HE2  LYS  62           HE3      LYS  62   1.214   5.728  18.843
  403    HZ1  LYS  62           HZ1      LYS  62   0.438   7.272  20.519
  404    HZ2  LYS  62           HZ2      LYS  62  -0.871   6.673  19.630
  405    HZ3  LYS  62           HZ3      LYS  62  -0.295   8.236  19.339
  406    H    SER  63           H        SER  63   3.515   8.906  14.514
  407    HA   SER  63           HA       SER  63   6.003   9.687  15.477
  408    HB2  SER  63           HB3      SER  63   6.960   8.252  13.742
  409    HG   SER  63           HG       SER  63   7.350  10.736  12.576
  410    H    CYS  64           H        CYS  64   4.105  10.255  12.510
  411    HA   CYS  64           HA       CYS  64   4.332  13.108  12.798
  412    HB2  CYS  64           HB3      CYS  64   2.667  11.445  10.897
  413    HG   CYS  64           HG       CYS  64   4.499  11.193   9.090
  414    HA   PRO  65           HA       PRO  65   0.780  14.093  15.196
  415    HB2  PRO  65           HB3      PRO  65  -0.034  16.020  13.093
  416    HG2  PRO  65           HG3      PRO  65   2.029  17.077  12.920
  417    HD2  PRO  65           HD3      PRO  65   2.440  15.104  11.778
  418    H    GLU  66           H        GLU  66  -0.000  14.137  11.714
  419    HA   GLU  66           HA       GLU  66  -2.552  12.819  12.335
  420    HB2  GLU  66           HB3      GLU  66  -2.745  14.925  11.105
  421    HG2  GLU  66           HG3      GLU  66  -3.314  12.604   9.274
  422    H    GLY  67           H        GLY  67   0.005  12.760   9.844
  423    HA2  GLY  67           HA2      GLY  67   1.129  10.610   9.449
  424    HA3  GLY  67           HA3      GLY  67  -0.444   9.847   9.630
  425    H    LYS  68           H        LYS  68   1.151  12.349   7.654
  426    HA   LYS  68           HA       LYS  68  -0.624  11.784   5.434
  427    HB2  LYS  68           HB3      LYS  68   0.579  13.591   4.289
  428    HG2  LYS  68           HG3      LYS  68   2.239  13.829   6.788
  429    HD2  LYS  68           HD3      LYS  68   2.305  15.361   4.189
  430    HE2  LYS  68           HE3      LYS  68   4.518  15.085   5.193
  431    HZ1  LYS  68           HZ1      LYS  68   4.972  16.036   7.358
  432    HZ2  LYS  68           HZ2      LYS  68   3.847  14.779   7.497
  433    HZ3  LYS  68           HZ3      LYS  68   3.334  16.388   7.585
  434    H    ALA  69           H        ALA  69  -0.095  10.782   3.542
  435    HA   ALA  69           HA       ALA  69   2.566  10.089   2.806
  436    HB1  ALA  69           HB1      ALA  69   2.280   8.481   4.630
  437    HB2  ALA  69           HB2      ALA  69   0.836   7.843   3.841
  438    HB3  ALA  69           HB3      ALA  69   2.413   7.671   3.070
  439    H    ALA  70           H        ALA  70   2.493   8.392   0.962
  440    HA   ALA  70           HA       ALA  70   0.137   8.984  -0.706
  441    HB1  ALA  70           HB1      ALA  70   2.984   8.453  -1.551
  442    HB2  ALA  70           HB2      ALA  70   1.625   8.699  -2.649
  443    HB3  ALA  70           HB3      ALA  70   2.147  10.006  -1.585
  444    H    CYS  71           H        CYS  71   2.682   6.518  -0.279
  445    HA   CYS  71           HA       CYS  71   0.866   4.494  -1.343
  446    HB2  CYS  71           HB3      CYS  71   3.780   4.279  -0.556
  447    HG   CYS  71           HG       CYS  71   4.021   3.742  -3.530
  448    H    ARG  72           H        ARG  72  -0.585   4.429   0.432
  449    HA   ARG  72           HA       ARG  72   0.445   3.595   3.016
  450    HB2  ARG  72           HB3      ARG  72  -2.328   4.228   2.019
  451    HG2  ARG  72           HG3      ARG  72  -0.608   5.581   4.081
  452    HD2  ARG  72           HD3      ARG  72  -3.013   5.622   4.604
  453    HE   ARG  72           HE       ARG  72  -3.482   5.892   1.930
  454   HH11  ARG  72          HH12      ARG  72  -4.287   7.746   4.768
  455   HH12  ARG  72          HH11      ARG  72  -5.776   8.340   4.113
  456   HH21  ARG  72          HH21      ARG  72  -5.439   6.669   1.060
  457   HH22  ARG  72          HH22      ARG  72  -6.432   7.728   2.006
  458    H    GLN  73           H        GLN  73  -0.298   1.695   4.103
  459    HA   GLN  73           HA       GLN  73  -1.569  -0.389   2.534
  460    HB2  GLN  73           HB3      GLN  73   0.297  -1.995   3.052
  461    HG2  GLN  73           HG3      GLN  73   1.642   0.544   3.882
  462   HE21  GLN  73          HE22      GLN  73   3.052   0.843   2.157
  463   HE22  GLN  73          HE21      GLN  73   4.380  -0.222   1.862
  464    H    GLU  74           H        GLU  74  -3.082  -1.163   3.859
  465    HA   GLU  74           HA       GLU  74  -2.653  -1.044   6.753
  466    HB2  GLU  74           HB3      GLU  74  -5.189  -2.095   5.603
  467    HG2  GLU  74           HG3      GLU  74  -4.695  -0.164   4.178
  468    H    TRP  75           H        TRP  75  -4.196  -3.046   7.689
  469    HA   TRP  75           HA       TRP  75  -2.967  -5.487   6.613
  470    HB2  TRP  75           HB3      TRP  75  -1.828  -4.841   8.687
  471    HD1  TRP  75           HD1      TRP  75  -4.748  -7.325   9.352
  472    HE1  TRP  75           HE1      TRP  75  -3.711  -9.616   9.905
  473    HE3  TRP  75           HE3      TRP  75   0.197  -6.127   8.844
  474    HZ2  TRP  75           HZ2      TRP  75  -1.140 -10.762  10.103
  475    HZ3  TRP  75           HZ3      TRP  75   1.881  -7.879   9.234
  476    HH2  TRP  75           HH2      TRP  75   1.223 -10.147   9.852
  477    H    TRP  76           H        TRP  76  -4.204  -7.372   6.713
  478    HA   TRP  76           HA       TRP  76  -7.059  -6.940   7.305
  479    HB2  TRP  76           HB3      TRP  76  -6.416  -7.384   4.896
  480    HD1  TRP  76           HD1      TRP  76  -8.365  -9.699   7.314
  481    HE1  TRP  76           HE1      TRP  76 -10.644 -10.219   6.243
  482    HE3  TRP  76           HE3      TRP  76  -7.683  -7.403   2.795
  483    HZ2  TRP  76           HZ2      TRP  76 -11.976  -9.727   3.806
  484    HZ3  TRP  76           HZ3      TRP  76  -9.510  -7.479   1.148
  485    HH2  TRP  76           HH2      TRP  76 -11.612  -8.617   1.646
  486    H    ALA  77           H        ALA  77  -7.592  -7.860   9.177
  487    HA   ALA  77           HA       ALA  77  -6.625 -10.582   9.710
  488    HB1  ALA  77           HB1      ALA  77  -6.231 -10.065  12.036
  489    HB2  ALA  77           HB2      ALA  77  -5.281  -8.982  11.019
  490    HB3  ALA  77           HB3      ALA  77  -6.758  -8.400  11.786
  491    H    LEU  78           H        LEU  78  -8.100 -11.962  10.558
  492    HA   LEU  78           HA       LEU  78 -10.815 -10.907  10.941
  493    HB2  LEU  78           HB3      LEU  78  -9.831 -13.669  10.234
  494    HG   LEU  78           HG       LEU  78 -11.513 -11.705   8.683
  495   HD11  LEU  78          HD11      LEU  78  -8.796 -12.921   8.258
  496   HD12  LEU  78          HD12      LEU  78  -9.698 -12.089   6.990
  497   HD13  LEU  78          HD13      LEU  78  -9.203 -11.215   8.439
  498   HD21  LEU  78          HD21      LEU  78 -11.616 -13.476   6.969
  499   HD22  LEU  78          HD22      LEU  78 -10.878 -14.597   8.113
  500   HD23  LEU  78          HD23      LEU  78 -12.467 -13.914   8.451
  501    H    ARG  79           H        ARG  79 -12.069 -12.730  12.397
  502    HA   ARG  79           HA       ARG  79 -11.052 -12.296  15.022
  503    HB2  ARG  79           HB3      ARG  79 -13.478 -12.406  14.459
  504    HG2  ARG  79           HG3      ARG  79 -12.576 -14.416  16.510
  505    HD2  ARG  79           HD3      ARG  79 -14.766 -13.984  17.552
  506    HE   ARG  79           HE       ARG  79 -15.037 -15.925  16.334
  507   HH11  ARG  79          HH12      ARG  79 -15.302 -13.155  14.225
  508   HH12  ARG  79          HH11      ARG  79 -15.923 -14.072  12.895
  509   HH21  ARG  79          HH21      ARG  79 -15.846 -17.133  14.581
  510   HH22  ARG  79          HH22      ARG  79 -16.231 -16.329  13.096
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -11.457  -4.747 -13.583
    2    H2   MET   1           H2       MET   1 -10.564  -5.917 -14.414
    3    H3   MET   1           H3       MET   1 -10.249  -4.276 -14.667
    4    HA   MET   1           HA       MET   1  -8.566  -5.298 -13.269
    5    HB2  MET   1           HB3      MET   1  -8.655  -3.657 -11.439
    6    HG2  MET   1           HG3      MET   1 -11.397  -2.945 -12.451
    7    HE1  MET   1           HE1      MET   1  -9.685   0.515 -11.726
    8    HE2  MET   1           HE2      MET   1  -8.895  -0.888 -12.443
    9    HE3  MET   1           HE3      MET   1 -10.541  -0.468 -12.915
   10    H    ALA   2           H        ALA   2  -8.147  -5.788 -10.877
   11    HA   ALA   2           HA       ALA   2  -9.875  -7.999 -10.153
   12    HB1  ALA   2           HB1      ALA   2  -7.448  -8.288 -10.106
   13    HB2  ALA   2           HB2      ALA   2  -7.321  -7.035  -8.871
   14    HB3  ALA   2           HB3      ALA   2  -8.158  -8.544  -8.512
   15    H    SER   3           H        SER   3 -11.055  -8.195  -8.281
   16    HA   SER   3           HA       SER   3 -11.588  -5.680  -6.865
   17    HB2  SER   3           HB3      SER   3 -13.230  -8.219  -7.036
   18    HG   SER   3           HG       SER   3 -13.309  -5.742  -8.365
   19    H    LEU   4           H        LEU   4 -12.196  -5.929  -4.520
   20    HA   LEU   4           HA       LEU   4 -10.038  -6.964  -3.075
   21    HB2  LEU   4           HB3      LEU   4 -11.357  -6.481  -1.076
   22    HG   LEU   4           HG       LEU   4 -13.660  -6.266  -2.982
   23   HD11  LEU   4          HD11      LEU   4 -13.628  -8.293  -1.776
   24   HD12  LEU   4          HD12      LEU   4 -13.206  -7.479  -0.271
   25   HD13  LEU   4          HD13      LEU   4 -14.812  -7.272  -0.966
   26   HD21  LEU   4          HD21      LEU   4 -14.868  -4.936  -1.319
   27   HD22  LEU   4          HD22      LEU   4 -13.391  -4.793  -0.365
   28   HD23  LEU   4          HD23      LEU   4 -13.480  -4.063  -1.969
   29    H    MET   5           H        MET   5 -12.888  -8.504  -4.236
   30    HA   MET   5           HA       MET   5 -13.324 -10.535  -2.427
   31    HB2  MET   5           HB3      MET   5 -14.792 -10.249  -4.302
   32    HG2  MET   5           HG3      MET   5 -15.020 -12.461  -5.224
   33    HE1  MET   5           HE1      MET   5 -16.818 -12.060  -1.762
   34    HE2  MET   5           HE2      MET   5 -16.023 -10.787  -2.689
   35    HE3  MET   5           HE3      MET   5 -17.004 -11.998  -3.515
   36    H    GLU   6           H        GLU   6 -10.971 -10.461  -5.089
   37    HA   GLU   6           HA       GLU   6  -9.959 -13.046  -4.801
   38    HB2  GLU   6           HB3      GLU   6  -8.531 -10.532  -5.664
   39    HG2  GLU   6           HG3      GLU   6 -10.457 -11.012  -7.077
   40    H    VAL   7           H        VAL   7  -8.399 -10.049  -3.650
   41    HA   VAL   7           HA       VAL   7  -6.484 -11.272  -2.044
   42    HB   VAL   7           HB       VAL   7  -7.787  -8.585  -1.563
   43   HG11  VAL   7          HG11      VAL   7  -5.701  -8.015  -0.429
   44   HG12  VAL   7          HG12      VAL   7  -6.495  -9.384   0.347
   45   HG13  VAL   7          HG13      VAL   7  -5.101  -9.651  -0.698
   46   HG21  VAL   7          HG21      VAL   7  -6.930  -8.740  -3.833
   47   HG22  VAL   7          HG22      VAL   7  -5.918  -7.667  -2.866
   48   HG23  VAL   7          HG23      VAL   7  -5.373  -9.305  -3.225
   49    H    ARG   8           H        ARG   8  -9.822 -10.463  -1.412
   50    HA   ARG   8           HA       ARG   8  -9.888 -10.689   1.361
   51    HB2  ARG   8           HB3      ARG   8 -11.785  -9.832   0.172
   52    HG2  ARG   8           HG3      ARG   8 -12.533 -12.489   1.375
   53    HD2  ARG   8           HD3      ARG   8 -14.217 -10.039   0.875
   54    HE   ARG   8           HE       ARG   8 -14.669 -12.252   2.591
   55   HH11  ARG   8          HH12      ARG   8 -16.253 -10.143   0.314
   56   HH12  ARG   8          HH11      ARG   8 -17.822 -10.347   1.021
   57   HH21  ARG   8          HH21      ARG   8 -16.727 -12.525   3.529
   58   HH22  ARG   8          HH22      ARG   8 -18.091 -11.700   2.852
   59    H    ASP   9           H        ASP   9 -10.735 -13.213  -1.021
   60    HA   ASP   9           HA       ASP   9 -11.046 -15.307   0.776
   61    HB2  ASP   9           HB3      ASP   9 -10.072 -15.403  -2.087
   62    H    MET  10           H        MET  10  -8.126 -14.199  -0.899
   63    HA   MET  10           HA       MET  10  -6.351 -16.182  -0.231
   64    HB2  MET  10           HB3      MET  10  -5.853 -13.204  -0.319
   65    HG2  MET  10           HG3      MET  10  -5.398 -15.311  -2.420
   66    HE1  MET  10           HE1      MET  10  -2.215 -13.057  -2.778
   67    HE2  MET  10           HE2      MET  10  -2.960 -13.589  -1.271
   68    HE3  MET  10           HE3      MET  10  -2.825 -14.704  -2.630
   69    H    LEU  11           H        LEU  11  -6.952 -13.236   1.697
   70    HA   LEU  11           HA       LEU  11  -5.455 -14.289   3.922
   71    HB2  LEU  11           HB3      LEU  11  -7.099 -11.792   3.554
   72    HG   LEU  11           HG       LEU  11  -4.124 -12.105   3.979
   73   HD11  LEU  11          HD11      LEU  11  -3.961 -11.217   1.672
   74   HD12  LEU  11          HD12      LEU  11  -4.676 -12.827   1.762
   75   HD13  LEU  11          HD13      LEU  11  -5.704 -11.418   1.515
   76   HD21  LEU  11          HD21      LEU  11  -5.811  -9.664   3.441
   77   HD22  LEU  11          HD22      LEU  11  -5.036 -10.072   4.973
   78   HD23  LEU  11          HD23      LEU  11  -4.051  -9.701   3.556
   79    H    ALA  12           H        ALA  12  -8.829 -13.913   3.045
   80    HA   ALA  12           HA       ALA  12 -10.029 -14.371   5.515
   81    HB1  ALA  12           HB1      ALA  12 -11.045 -15.195   2.800
   82    HB2  ALA  12           HB2      ALA  12 -12.012 -15.021   4.265
   83    HB3  ALA  12           HB3      ALA  12 -11.251 -13.607   3.538
   84    H    LEU  13           H        LEU  13  -8.318 -16.542   3.472
   85    HA   LEU  13           HA       LEU  13  -9.420 -18.872   4.872
   86    HB2  LEU  13           HB3      LEU  13  -7.682 -18.672   2.414
   87    HG   LEU  13           HG       LEU  13 -10.189 -18.108   2.209
   88   HD11  LEU  13          HD11      LEU  13  -8.779 -18.596   0.300
   89   HD12  LEU  13          HD12      LEU  13  -8.971 -20.328   0.574
   90   HD13  LEU  13          HD13      LEU  13 -10.362 -19.350   0.103
   91   HD21  LEU  13          HD21      LEU  13 -10.356 -21.094   2.604
   92   HD22  LEU  13          HD22      LEU  13 -11.015 -19.864   3.683
   93   HD23  LEU  13          HD23      LEU  13 -11.668 -20.050   2.056
   94    H    GLN  14           H        GLN  14  -7.534 -16.939   6.072
   95    HA   GLN  14           HA       GLN  14  -5.610 -18.895   7.032
   96    HB2  GLN  14           HB3      GLN  14  -4.812 -16.284   5.748
   97    HG2  GLN  14           HG3      GLN  14  -4.947 -18.249   4.261
   98   HE21  GLN  14          HE22      GLN  14  -1.761 -18.764   5.545
   99   HE22  GLN  14          HE21      GLN  14  -1.957 -20.443   5.903
  100    H    GLY  15           H        GLY  15  -6.355 -15.406   7.225
  101    HA2  GLY  15           HA2      GLY  15  -7.540 -14.821   9.392
  102    HA3  GLY  15           HA3      GLY  15  -6.196 -15.652  10.163
  103    H    ARG  16           H        ARG  16  -4.633 -14.379  10.893
  104    HA   ARG  16           HA       ARG  16  -4.581 -11.593  10.299
  105    HB2  ARG  16           HB3      ARG  16  -2.695 -13.375  11.837
  106    HG2  ARG  16           HG3      ARG  16  -3.492 -12.079  13.776
  107    HD2  ARG  16           HD3      ARG  16  -5.779 -13.351  12.288
  108    HE   ARG  16           HE       ARG  16  -5.752 -12.347  14.826
  109   HH11  ARG  16          HH12      ARG  16  -6.129 -15.515  13.429
  110   HH12  ARG  16          HH11      ARG  16  -7.129 -16.104  14.714
  111   HH21  ARG  16          HH21      ARG  16  -7.064 -13.111  16.524
  112   HH22  ARG  16          HH22      ARG  16  -7.661 -14.737  16.477
  113    H    MET  17           H        MET  17  -3.924 -10.867   8.392
  114    HA   MET  17           HA       MET  17  -1.257 -11.504   7.479
  115    HB2  MET  17           HB3      MET  17  -3.705 -12.202   5.864
  116    HG2  MET  17           HG3      MET  17  -1.252 -13.797   6.577
  117    HE1  MET  17           HE1      MET  17  -1.848 -14.775   2.815
  118    HE2  MET  17           HE2      MET  17  -1.955 -13.166   3.530
  119    HE3  MET  17           HE3      MET  17  -0.654 -14.258   4.007
  120    H    GLU  18           H        GLU  18  -0.506 -10.066   5.811
  121    HA   GLU  18           HA       GLU  18  -1.954  -7.507   5.851
  122    HB2  GLU  18           HB3      GLU  18   0.941  -7.963   5.129
  123    HG2  GLU  18           HG3      GLU  18  -0.110  -7.037   7.790
  124    H    ALA  19           H        ALA  19  -2.228  -6.304   3.953
  125    HA   ALA  19           HA       ALA  19  -2.513  -7.904   1.571
  126    HB1  ALA  19           HB1      ALA  19  -3.041  -4.964   1.993
  127    HB2  ALA  19           HB2      ALA  19  -3.545  -5.923   0.602
  128    HB3  ALA  19           HB3      ALA  19  -4.218  -6.261   2.198
  129    H    LYS  20           H        LYS  20  -0.157  -5.758   2.870
  130    HA   LYS  20           HA       LYS  20   1.005  -4.811   0.488
  131    HB2  LYS  20           HB3      LYS  20   2.952  -4.279   1.863
  132    HG2  LYS  20           HG3      LYS  20   1.579  -5.817   4.057
  133    HD2  LYS  20           HD3      LYS  20   2.653  -3.785   4.874
  134    HE2  LYS  20           HE3      LYS  20   5.116  -4.879   3.523
  135    HZ1  LYS  20           HZ1      LYS  20   5.671  -3.895   5.642
  136    HZ2  LYS  20           HZ2      LYS  20   4.793  -2.497   5.269
  137    HZ3  LYS  20           HZ3      LYS  20   6.186  -2.882   4.391
  138    H    GLN  21           H        GLN  21   1.221  -7.849   2.147
  139    HA   GLN  21           HA       GLN  21   3.659  -8.798   1.154
  140    HB2  GLN  21           HB3      GLN  21   1.141 -10.329   1.825
  141    HG2  GLN  21           HG3      GLN  21   3.578  -9.693   3.471
  142   HE21  GLN  21          HE22      GLN  21   0.773 -11.755   3.068
  143   HE22  GLN  21          HE21      GLN  21   1.135 -12.820   4.377
  144    H    LEU  22           H        LEU  22   0.380  -9.464  -0.084
  145    HA   LEU  22           HA       LEU  22   1.322 -10.700  -2.459
  146    HB2  LEU  22           HB3      LEU  22  -0.998 -10.645  -3.198
  147    HG   LEU  22           HG       LEU  22  -1.342  -8.342  -1.714
  148   HD11  LEU  22          HD11      LEU  22  -2.590  -9.057  -3.709
  149   HD12  LEU  22          HD12      LEU  22  -3.474 -10.221  -2.721
  150   HD13  LEU  22          HD13      LEU  22  -3.655  -8.492  -2.420
  151   HD21  LEU  22          HD21      LEU  22  -3.070  -8.923  -0.059
  152   HD22  LEU  22          HD22      LEU  22  -2.727 -10.633  -0.324
  153   HD23  LEU  22          HD23      LEU  22  -1.490  -9.582   0.364
  154    H    SER  23           H        SER  23   0.455  -7.413  -1.614
  155    HA   SER  23           HA       SER  23   0.187  -6.357  -4.198
  156    HB2  SER  23           HB3      SER  23   0.446  -4.200  -3.204
  157    HG   SER  23           HG       SER  23   1.542  -3.850  -1.355
  158    H    ALA  24           H        ALA  24   3.024  -6.878  -2.171
  159    HA   ALA  24           HA       ALA  24   4.847  -5.574  -3.941
  160    HB1  ALA  24           HB1      ALA  24   5.419  -7.576  -1.758
  161    HB2  ALA  24           HB2      ALA  24   6.588  -6.502  -2.526
  162    HB3  ALA  24           HB3      ALA  24   5.292  -5.830  -1.537
  163    H    ARG  25           H        ARG  25   4.115  -8.986  -3.246
  164    HA   ARG  25           HA       ARG  25   5.915 -10.098  -5.087
  165    HB2  ARG  25           HB3      ARG  25   3.289 -11.182  -4.051
  166    HG2  ARG  25           HG3      ARG  25   4.991 -10.776  -2.304
  167    HD2  ARG  25           HD3      ARG  25   6.999 -11.084  -3.666
  168    HE   ARG  25           HE       ARG  25   5.898 -13.581  -4.364
  169   HH11  ARG  25          HH12      ARG  25   8.942 -12.096  -3.552
  170   HH12  ARG  25          HH11      ARG  25   9.883 -13.220  -4.473
  171   HH21  ARG  25          HH21      ARG  25   7.128 -15.069  -5.579
  172   HH22  ARG  25          HH22      ARG  25   8.852 -14.910  -5.626
  173    H    LEU  26           H        LEU  26   2.758  -8.701  -5.490
  174    HA   LEU  26           HA       LEU  26   2.648  -9.606  -8.276
  175    HB2  LEU  26           HB3      LEU  26   0.603  -8.495  -6.386
  176    HG   LEU  26           HG       LEU  26  -0.725 -10.408  -6.953
  177   HD11  LEU  26          HD11      LEU  26   0.041 -12.106  -8.542
  178   HD12  LEU  26          HD12      LEU  26  -0.193 -10.541  -9.323
  179   HD13  LEU  26          HD13      LEU  26   1.435 -11.103  -8.939
  180   HD21  LEU  26          HD21      LEU  26   2.143 -11.184  -6.438
  181   HD22  LEU  26          HD22      LEU  26   0.911 -10.811  -5.231
  182   HD23  LEU  26          HD23      LEU  26   0.755 -12.254  -6.231
  183    H    GLN  27           H        GLN  27   3.469  -6.879  -6.400
  184    HA   GLN  27           HA       GLN  27   4.148  -4.782  -6.944
  185    HB2  GLN  27           HB3      GLN  27   4.052  -5.866  -9.764
  186    HG2  GLN  27           HG3      GLN  27   6.395  -5.464  -7.920
  187   HE21  GLN  27          HE22      GLN  27   7.604  -4.347  -9.440
  188   HE22  GLN  27          HE21      GLN  27   8.195  -5.095 -10.880
  189    H    THR  28           H        THR  28   2.106  -4.015  -6.163
  190    HA   THR  28           HA       THR  28   0.540  -2.730  -8.277
  191    HB   THR  28           HB       THR  28  -0.653  -4.790  -7.535
  192    HG1  THR  28           HG1      THR  28  -1.910  -3.094  -8.312
  193   HG21  THR  28          HG21      THR  28  -1.005  -3.349  -4.912
  194   HG22  THR  28          HG22      THR  28   0.134  -4.673  -5.162
  195   HG23  THR  28          HG23      THR  28  -1.598  -4.953  -5.343
  196    HA   PRO  29           HA       PRO  29   0.955   1.069  -6.076
  197    HB2  PRO  29           HB3      PRO  29  -2.036   1.115  -6.255
  198    HG2  PRO  29           HG3      PRO  29  -1.998   1.010  -8.579
  199    HD2  PRO  29           HD3      PRO  29  -1.448  -1.179  -8.216
  200    H    GLN  30           H        GLN  30   1.462   0.968  -3.980
  201    HA   GLN  30           HA       GLN  30   0.163  -0.621  -2.069
  202    HB2  GLN  30           HB3      GLN  30   1.951   1.778  -1.646
  203    HG2  GLN  30           HG3      GLN  30   2.989  -0.114  -2.897
  204   HE21  GLN  30          HE22      GLN  30   4.668  -1.764  -1.183
  205   HE22  GLN  30          HE21      GLN  30   3.733  -3.162  -0.796
  206    HA   PRO  31           HA       PRO  31  -1.831   3.694  -0.650
  207    HB2  PRO  31           HB3      PRO  31  -2.399   4.635  -3.414
  208    HG2  PRO  31           HG3      PRO  31  -0.192   5.163  -3.905
  209    HD2  PRO  31           HD3      PRO  31  -0.078   2.869  -4.076
  210    H    LEU  32           H        LEU  32  -2.785   2.279  -3.777
  211    HA   LEU  32           HA       LEU  32  -5.542   2.425  -3.458
  212    HB2  LEU  32           HB3      LEU  32  -4.307   1.813  -5.545
  213    HG   LEU  32           HG       LEU  32  -5.904   0.351  -6.511
  214   HD11  LEU  32          HD11      LEU  32  -7.257  -1.184  -5.366
  215   HD12  LEU  32          HD12      LEU  32  -5.654  -1.375  -4.658
  216   HD13  LEU  32          HD13      LEU  32  -6.898  -0.466  -3.798
  217   HD21  LEU  32          HD21      LEU  32  -7.286   1.858  -4.294
  218   HD22  LEU  32          HD22      LEU  32  -6.755   2.554  -5.825
  219   HD23  LEU  32          HD23      LEU  32  -8.013   1.317  -5.808
  220    H    ILE  33           H        ILE  33  -3.319  -0.202  -2.573
  221    HA   ILE  33           HA       ILE  33  -5.076  -2.095  -1.654
  222    HB   ILE  33           HB       ILE  33  -2.444  -1.345  -0.370
  223   HG12  ILE  33          HG13      ILE  33  -2.241  -1.833  -2.771
  224   HG21  ILE  33          HG21      ILE  33  -2.404  -3.619   0.485
  225   HG22  ILE  33          HG22      ILE  33  -3.838  -2.769   1.059
  226   HG23  ILE  33          HG23      ILE  33  -3.973  -3.941  -0.250
  227   HD11  ILE  33          HD11      ILE  33  -3.427  -4.521  -2.131
  228   HD12  ILE  33          HD12      ILE  33  -4.211  -3.252  -3.074
  229   HD13  ILE  33          HD13      ILE  33  -2.739  -4.016  -3.674
  230    H    ASP  34           H        ASP  34  -3.823   0.709   0.129
  231    HA   ASP  34           HA       ASP  34  -4.874   0.238   2.625
  232    HB2  ASP  34           HB3      ASP  34  -3.419   2.142   2.139
  233    H    ALA  35           H        ALA  35  -6.502   1.507  -0.229
  234    HA   ALA  35           HA       ALA  35  -8.967   2.029   1.154
  235    HB1  ALA  35           HB1      ALA  35  -8.295   3.327  -0.817
  236    HB2  ALA  35           HB2      ALA  35  -8.423   1.871  -1.805
  237    HB3  ALA  35           HB3      ALA  35  -9.861   2.548  -1.042
  238    H    MET  36           H        MET  36  -7.519  -0.657  -0.484
  239    HA   MET  36           HA       MET  36  -9.855  -2.082  -1.160
  240    HB2  MET  36           HB3      MET  36  -7.648  -2.663  -2.064
  241    HG2  MET  36           HG3      MET  36  -8.625  -4.988  -0.432
  242    HE1  MET  36           HE1      MET  36  -5.554  -4.342  -1.299
  243    HE2  MET  36           HE2      MET  36  -6.035  -5.786  -0.410
  244    HE3  MET  36           HE3      MET  36  -5.061  -5.935  -1.872
  245    H    LEU  37           H        LEU  37  -7.665  -2.504   1.620
  246    HA   LEU  37           HA       LEU  37  -9.447  -4.254   2.986
  247    HB2  LEU  37           HB3      LEU  37  -6.992  -2.732   3.813
  248    HG   LEU  37           HG       LEU  37  -7.456  -5.711   3.724
  249   HD11  LEU  37          HD11      LEU  37  -6.019  -5.691   1.739
  250   HD12  LEU  37          HD12      LEU  37  -7.524  -4.811   1.478
  251   HD13  LEU  37          HD13      LEU  37  -6.026  -3.927   1.766
  252   HD21  LEU  37          HD21      LEU  37  -5.060  -5.862   4.034
  253   HD22  LEU  37          HD22      LEU  37  -4.924  -4.103   4.040
  254   HD23  LEU  37          HD23      LEU  37  -5.777  -4.927   5.345
  255    H    GLU  38           H        GLU  38  -8.711  -0.800   3.207
  256    HA   GLU  38           HA       GLU  38 -10.198  -0.121   5.436
  257    HB2  GLU  38           HB3      GLU  38  -8.771   1.486   4.291
  258    HG2  GLU  38           HG3      GLU  38 -11.624   2.430   4.162
  259    H    ARG  39           H        ARG  39 -11.246  -0.519   2.085
  260    HA   ARG  39           HA       ARG  39 -13.942   0.232   2.510
  261    HB2  ARG  39           HB3      ARG  39 -12.995   0.259   0.282
  262    HG2  ARG  39           HG3      ARG  39 -15.102  -1.882   0.492
  263    HD2  ARG  39           HD3      ARG  39 -14.256  -0.215  -1.873
  264    HE   ARG  39           HE       ARG  39 -16.720  -1.288  -1.498
  265   HH11  ARG  39          HH12      ARG  39 -14.085  -1.967  -3.668
  266   HH12  ARG  39          HH11      ARG  39 -15.111  -2.520  -4.950
  267   HH21  ARG  39          HH21      ARG  39 -18.084  -2.018  -3.177
  268   HH22  ARG  39          HH22      ARG  39 -17.385  -2.549  -4.672
  269    H    MET  40           H        MET  40 -12.304  -2.914   2.390
  270    HA   MET  40           HA       MET  40 -14.531  -4.555   2.700
  271    HB2  MET  40           HB3      MET  40 -12.344  -5.455   2.144
  272    HG2  MET  40           HG3      MET  40 -13.199  -6.509   4.832
  273    HE1  MET  40           HE1      MET  40 -10.710  -8.663   1.594
  274    HE2  MET  40           HE2      MET  40 -12.416  -8.263   1.395
  275    HE3  MET  40           HE3      MET  40 -11.211  -6.976   1.475
  276    H    GLU  41           H        GLU  41 -12.464  -3.047   5.157
  277    HA   GLU  41           HA       GLU  41 -14.012  -4.083   7.344
  278    HB2  GLU  41           HB3      GLU  41 -11.542  -3.478   7.409
  279    HG2  GLU  41           HG3      GLU  41 -12.886  -3.831   9.477
  280    H    ALA  42           H        ALA  42 -14.003  -1.218   5.374
  281    HA   ALA  42           HA       ALA  42 -15.350   0.605   6.952
  282    HB1  ALA  42           HB1      ALA  42 -16.174   1.593   4.853
  283    HB2  ALA  42           HB2      ALA  42 -14.460   1.186   4.769
  284    HB3  ALA  42           HB3      ALA  42 -15.652   0.150   3.983
  285    H    MET  43           H        MET  43 -16.512  -2.310   5.493
  286    HA   MET  43           HA       MET  43 -19.306  -1.614   5.888
  287    HB2  MET  43           HB3      MET  43 -18.002  -4.159   4.906
  288    HG2  MET  43           HG3      MET  43 -19.533  -2.047   3.402
  289    HE1  MET  43           HE1      MET  43 -19.115  -3.550  -0.178
  290    HE2  MET  43           HE2      MET  43 -19.742  -2.208   0.781
  291    HE3  MET  43           HE3      MET  43 -18.002  -2.460   0.650
  292    H    GLY  44           H        GLY  44 -16.761  -3.315   7.502
  293    HA2  GLY  44           HA2      GLY  44 -17.005  -3.616   9.908
  294    HA3  GLY  44           HA3      GLY  44 -18.680  -4.072   9.614
  295    H    LYS  45           H        LYS  45 -15.364  -5.080   8.774
  296    HA   LYS  45           HA       LYS  45 -16.278  -7.833   8.498
  297    HB2  LYS  45           HB3      LYS  45 -14.752  -6.990   6.801
  298    HG2  LYS  45           HG3      LYS  45 -13.042  -8.659   6.806
  299    HD2  LYS  45           HD3      LYS  45 -14.324 -10.680   7.293
  300    HE2  LYS  45           HE3      LYS  45 -16.324 -10.200   5.969
  301    HZ1  LYS  45           HZ1      LYS  45 -14.227 -10.352   4.792
  302    HZ2  LYS  45           HZ2      LYS  45 -13.947  -8.698   5.016
  303    HZ3  LYS  45           HZ3      LYS  45 -15.235  -9.215   4.049
  304    H    VAL  46           H        VAL  46 -13.278  -6.600   9.956
  305    HA   VAL  46           HA       VAL  46 -13.978  -7.706  12.531
  306    HB   VAL  46           HB       VAL  46 -11.698  -8.902  10.948
  307   HG11  VAL  46          HG11      VAL  46 -12.494  -9.300  13.831
  308   HG12  VAL  46          HG12      VAL  46 -11.336 -10.301  12.960
  309   HG13  VAL  46          HG13      VAL  46 -10.992  -8.596  13.234
  310   HG21  VAL  46          HG21      VAL  46 -14.238 -10.101  12.043
  311   HG22  VAL  46          HG22      VAL  46 -13.844  -9.839  10.344
  312   HG23  VAL  46          HG23      VAL  46 -12.928 -11.010  11.291
  313    H    VAL  47           H        VAL  47 -10.679  -7.332  11.290
  314    HA   VAL  47           HA       VAL  47 -10.468  -4.736  12.621
  315    HB   VAL  47           HB       VAL  47  -8.423  -5.381  13.807
  316   HG11  VAL  47          HG11      VAL  47  -9.474  -6.800  15.538
  317   HG12  VAL  47          HG12      VAL  47 -10.495  -5.454  15.034
  318   HG13  VAL  47          HG13      VAL  47 -10.828  -7.081  14.445
  319   HG21  VAL  47          HG21      VAL  47  -7.787  -7.729  14.015
  320   HG22  VAL  47          HG22      VAL  47  -9.067  -8.181  12.888
  321   HG23  VAL  47          HG23      VAL  47  -7.713  -7.196  12.336
  322    H    ARG  48           H        ARG  48  -8.802  -3.423  11.880
  323    HA   ARG  48           HA       ARG  48  -7.172  -4.456   9.668
  324    HB2  ARG  48           HB3      ARG  48  -7.626  -2.467   8.334
  325    HG2  ARG  48           HG3      ARG  48  -9.810  -1.685  10.222
  326    HD2  ARG  48           HD3      ARG  48  -8.297  -0.236   8.053
  327    HE   ARG  48           HE       ARG  48 -10.123   0.791  10.041
  328   HH11  ARG  48          HH12      ARG  48  -8.749   1.227   6.866
  329   HH12  ARG  48          HH11      ARG  48  -9.085   2.925   6.814
  330   HH21  ARG  48          HH21      ARG  48 -10.569   3.024   9.978
  331   HH22  ARG  48          HH22      ARG  48 -10.118   3.946   8.581
  332    H    ILE  49           H        ILE  49  -5.201  -3.357   9.323
  333    HA   ILE  49           HA       ILE  49  -4.440  -1.441  11.427
  334    HB   ILE  49           HB       ILE  49  -2.642  -3.627  10.373
  335   HG12  ILE  49          HG13      ILE  49  -4.475  -4.542  11.753
  336   HG21  ILE  49          HG21      ILE  49  -2.301  -1.601  12.578
  337   HG22  ILE  49          HG22      ILE  49  -1.197  -2.939  12.266
  338   HG23  ILE  49          HG23      ILE  49  -1.412  -1.674  11.057
  339   HD11  ILE  49          HD11      ILE  49  -3.404  -2.817  13.969
  340   HD12  ILE  49          HD12      ILE  49  -4.942  -2.571  13.142
  341   HD13  ILE  49          HD13      ILE  49  -4.674  -4.033  14.093
  342    H    SER  50           H        SER  50  -4.324   0.409  10.263
  343    HA   SER  50           HA       SER  50  -3.091   0.391   7.627
  344    HB2  SER  50           HB3      SER  50  -3.818   2.753   7.516
  345    HG   SER  50           HG       SER  50  -3.679   3.197   9.777
  346    H    GLU  51           H        GLU  51  -0.993   0.648   7.402
  347    HA   GLU  51           HA       GLU  51   0.426   2.404   9.295
  348    HB2  GLU  51           HB3      GLU  51   0.977   0.039   9.706
  349    HG2  GLU  51           HG3      GLU  51   3.388   0.120   9.513
  350    H    THR  52           H        THR  52   2.341   3.451   8.427
  351    HA   THR  52           HA       THR  52   2.222   3.766   5.497
  352    HB   THR  52           HB       THR  52   1.364   5.777   6.558
  353    HG1  THR  52           HG1      THR  52   2.449   6.919   5.144
  354   HG21  THR  52          HG21      THR  52   4.010   5.855   8.017
  355   HG22  THR  52          HG22      THR  52   2.426   5.570   8.741
  356   HG23  THR  52          HG23      THR  52   2.799   7.140   8.028
  357    H    SER  53           H        SER  53   4.193   4.241   4.421
  358    HA   SER  53           HA       SER  53   6.398   2.747   5.269
  359    HB2  SER  53           HB3      SER  53   6.002   3.294   2.910
  360    HG   SER  53           HG       SER  53   8.083   3.423   2.446
  361    H    GLU  54           H        GLU  54   8.616   3.581   5.649
  362    HA   GLU  54           HA       GLU  54  10.120   4.766   6.876
  363    HB2  GLU  54           HB3      GLU  54   9.490   6.597   5.332
  364    HG2  GLU  54           HG3      GLU  54  11.114   7.010   7.214
  365    H    GLY  55           H        GLY  55  10.226   4.111   8.921
  366    HA2  GLY  55           HA2      GLY  55   8.367   5.305  10.853
  367    HA3  GLY  55           HA3      GLY  55   8.540   3.556  10.824
  368    H    CYS  56           H        CYS  56  11.211   5.723  10.211
  369    HA   CYS  56           HA       CYS  56  12.773   4.520  12.276
  370    HB2  CYS  56           HB3      CYS  56  13.330   6.971  10.589
  371    HG   CYS  56           HG       CYS  56  14.248   5.693   8.544
  372    H    LEU  57           H        LEU  57  11.691   7.887  11.784
  373    HA   LEU  57           HA       LEU  57  12.047   8.349  14.659
  374    HB2  LEU  57           HB3      LEU  57  11.753  10.268  12.351
  375    HG   LEU  57           HG       LEU  57  14.085   9.849  14.225
  376   HD11  LEU  57          HD11      LEU  57  15.251   9.223  12.080
  377   HD12  LEU  57          HD12      LEU  57  14.081   8.052  12.687
  378   HD13  LEU  57          HD13      LEU  57  13.653   9.110  11.343
  379   HD21  LEU  57          HD21      LEU  57  15.217  11.490  12.795
  380   HD22  LEU  57          HD22      LEU  57  13.718  11.733  11.898
  381   HD23  LEU  57          HD23      LEU  57  13.808  12.182  13.601
  382    H    SER  58           H        SER  58  10.420   9.686  15.763
  383    HA   SER  58           HA       SER  58   7.728   8.902  14.907
  384    HB2  SER  58           HB3      SER  58   7.062   9.370  17.236
  385    HG   SER  58           HG       SER  58   9.076   9.609  18.646
  386    H    GLY  59           H        GLY  59   9.374  11.279  13.942
  387    HA2  GLY  59           HA2      GLY  59   8.385  13.683  14.921
  388    HA3  GLY  59           HA3      GLY  59   8.917  13.424  13.265
  389    H    SER  60           H        SER  60   7.127  11.809  12.162
  390    HA   SER  60           HA       SER  60   4.552  13.193  12.540
  391    HB2  SER  60           HB3      SER  60   5.615  13.820  10.418
  392    HG   SER  60           HG       SER  60   3.606  13.811   9.816
  393    H    CYS  61           H        CYS  61   2.685  11.982  12.537
  394    HA   CYS  61           HA       CYS  61   2.822   9.129  11.999
  395    HB2  CYS  61           HB3      CYS  61   2.030  10.208  14.713
  396    HG   CYS  61           HG       CYS  61   4.849   8.715  13.630
  397    H    LYS  62           H        LYS  62   0.703  11.551  13.547
  398    HA   LYS  62           HA       LYS  62  -1.482  10.584  11.824
  399    HB2  LYS  62           HB3      LYS  62  -3.037  11.330  13.549
  400    HG2  LYS  62           HG3      LYS  62  -0.601  12.035  15.171
  401    HD2  LYS  62           HD3      LYS  62  -2.357  11.017  16.526
  402    HE2  LYS  62           HE3      LYS  62  -4.121  13.193  15.407
  403    HZ1  LYS  62           HZ1      LYS  62  -4.588  12.729  17.727
  404    HZ2  LYS  62           HZ2      LYS  62  -4.710  11.073  17.402
  405    HZ3  LYS  62           HZ3      LYS  62  -5.838  12.149  16.747
  406    H    SER  63           H        SER  63  -3.271  12.405  11.715
  407    HA   SER  63           HA       SER  63  -3.847  14.329  10.638
  408    HB2  SER  63           HB3      SER  63  -2.956  16.404  11.639
  409    HG   SER  63           HG       SER  63  -0.782  15.478  11.940
  410    H    CYS  64           H        CYS  64  -3.287  14.157   8.531
  411    HA   CYS  64           HA       CYS  64  -0.529  14.555   7.709
  412    HB2  CYS  64           HB3      CYS  64  -3.014  13.986   6.077
  413    HG   CYS  64           HG       CYS  64  -2.147  11.369   5.616
  414    HA   PRO  65           HA       PRO  65  -0.891  18.857   6.809
  415    HB2  PRO  65           HB3      PRO  65   0.866  19.054   4.726
  416    HG2  PRO  65           HG3      PRO  65   1.193  16.796   4.302
  417    HD2  PRO  65           HD3      PRO  65   0.573  15.163   5.816
  418    H    GLU  66           H        GLU  66  -0.747  16.830   3.870
  419    HA   GLU  66           HA       GLU  66  -3.248  17.920   2.937
  420    HB2  GLU  66           HB3      GLU  66  -2.449  18.899   0.907
  421    HG2  GLU  66           HG3      GLU  66  -0.602  17.505   0.311
  422    H    GLY  67           H        GLY  67  -3.386  17.115   0.416
  423    HA2  GLY  67           HA2      GLY  67  -3.001  14.216   0.645
  424    HA3  GLY  67           HA3      GLY  67  -4.123  15.025  -0.441
  425    H    LYS  68           H        LYS  68  -0.648  15.514   0.102
  426    HA   LYS  68           HA       LYS  68  -0.238  15.068  -2.777
  427    HB2  LYS  68           HB3      LYS  68   0.348  17.316  -2.095
  428    HG2  LYS  68           HG3      LYS  68   2.912  15.768  -2.393
  429    HD2  LYS  68           HD3      LYS  68   3.777  17.776  -3.386
  430    HE2  LYS  68           HE3      LYS  68   3.741  19.313  -1.508
  431    HZ1  LYS  68           HZ1      LYS  68   4.404  17.813   0.232
  432    HZ2  LYS  68           HZ2      LYS  68   4.990  17.236  -1.247
  433    HZ3  LYS  68           HZ3      LYS  68   3.640  16.511  -0.531
  434    H    ALA  69           H        ALA  69   0.796  13.287  -3.356
  435    HA   ALA  69           HA       ALA  69   2.205  11.499  -3.353
  436    HB1  ALA  69           HB1      ALA  69   3.919  13.150  -2.717
  437    HB2  ALA  69           HB2      ALA  69   3.552  12.851  -1.018
  438    HB3  ALA  69           HB3      ALA  69   4.218  11.559  -2.018
  439    H    ALA  70           H        ALA  70  -0.218  11.793  -1.486
  440    HA   ALA  70           HA       ALA  70   0.198  10.323   0.853
  441    HB1  ALA  70           HB1      ALA  70  -2.200   9.956   0.870
  442    HB2  ALA  70           HB2      ALA  70  -1.841  11.612   0.382
  443    HB3  ALA  70           HB3      ALA  70  -2.303  10.416  -0.829
  444    H    CYS  71           H        CYS  71   0.903   8.314   1.086
  445    HA   CYS  71           HA       CYS  71  -0.149   6.196  -0.606
  446    HB2  CYS  71           HB3      CYS  71   2.821   6.726  -0.368
  447    HG   CYS  71           HG       CYS  71   0.674   7.687  -2.661
  448    H    ARG  72           H        ARG  72  -0.875   4.753   0.813
  449    HA   ARG  72           HA       ARG  72   0.899   3.858   2.952
  450    HB2  ARG  72           HB3      ARG  72  -0.724   4.113   4.689
  451    HG2  ARG  72           HG3      ARG  72  -2.640   5.393   2.765
  452    HD2  ARG  72           HD3      ARG  72  -4.240   4.910   4.601
  453    HE   ARG  72           HE       ARG  72  -2.178   6.869   4.800
  454   HH11  ARG  72          HH12      ARG  72  -4.879   5.461   6.486
  455   HH12  ARG  72          HH11      ARG  72  -5.183   6.872   7.445
  456   HH21  ARG  72          HH21      ARG  72  -2.568   8.731   6.053
  457   HH22  ARG  72          HH22      ARG  72  -3.868   8.733   7.198
  458    H    GLN  73           H        GLN  73   0.072   1.875   4.020
  459    HA   GLN  73           HA       GLN  73  -1.884   0.356   2.474
  460    HB2  GLN  73           HB3      GLN  73  -0.287  -1.611   2.454
  461    HG2  GLN  73           HG3      GLN  73   1.687   0.554   3.116
  462   HE21  GLN  73          HE22      GLN  73   3.861   0.122   2.787
  463   HE22  GLN  73          HE21      GLN  73   4.409  -1.063   1.657
  464    H    GLU  74           H        GLU  74  -3.153  -0.874   3.746
  465    HA   GLU  74           HA       GLU  74  -2.373  -1.101   6.578
  466    HB2  GLU  74           HB3      GLU  74  -4.754  -1.298   7.069
  467    HG2  GLU  74           HG3      GLU  74  -5.134  -1.022   4.100
  468    H    TRP  75           H        TRP  75  -3.358  -3.012   7.720
  469    HA   TRP  75           HA       TRP  75  -3.058  -5.427   6.059
  470    HB2  TRP  75           HB3      TRP  75  -2.645  -5.347   9.042
  471    HD1  TRP  75           HD1      TRP  75  -0.690  -4.549   5.808
  472    HE1  TRP  75           HE1      TRP  75   1.485  -3.343   6.465
  473    HE3  TRP  75           HE3      TRP  75  -1.065  -4.907  10.895
  474    HZ2  TRP  75           HZ2      TRP  75   2.860  -2.635   8.825
  475    HZ3  TRP  75           HZ3      TRP  75   0.723  -3.940  12.280
  476    HH2  TRP  75           HH2      TRP  75   2.646  -2.827  11.264
  477    H    TRP  76           H        TRP  76  -4.425  -7.244   6.580
  478    HA   TRP  76           HA       TRP  76  -6.880  -6.447   8.000
  479    HB2  TRP  76           HB3      TRP  76  -7.305  -6.535   5.607
  480    HD1  TRP  76           HD1      TRP  76  -9.246  -6.775   8.043
  481    HE1  TRP  76           HE1      TRP  76 -11.354  -8.243   7.897
  482    HE3  TRP  76           HE3      TRP  76  -7.827  -9.858   4.218
  483    HZ2  TRP  76           HZ2      TRP  76 -12.295 -10.416   6.361
  484    HZ3  TRP  76           HZ3      TRP  76  -9.392 -11.604   3.470
  485    HH2  TRP  76           HH2      TRP  76 -11.578 -11.876   4.521
  486    H    ALA  77           H        ALA  77  -7.804  -7.870   9.384
  487    HA   ALA  77           HA       ALA  77  -6.823 -10.605   9.530
  488    HB1  ALA  77           HB1      ALA  77  -6.225 -10.472  11.871
  489    HB2  ALA  77           HB2      ALA  77  -5.275  -9.311  10.943
  490    HB3  ALA  77           HB3      ALA  77  -6.644  -8.759  11.908
  491    H    LEU  78           H        LEU  78  -8.326 -12.014  10.247
  492    HA   LEU  78           HA       LEU  78 -10.933 -10.898  11.003
  493    HB2  LEU  78           HB3      LEU  78 -10.225 -13.648   9.979
  494    HG   LEU  78           HG       LEU  78 -11.562 -11.344   8.564
  495   HD11  LEU  78          HD11      LEU  78  -9.017 -12.879   8.168
  496   HD12  LEU  78          HD12      LEU  78  -9.782 -11.992   6.849
  497   HD13  LEU  78          HD13      LEU  78  -9.250 -11.136   8.296
  498   HD21  LEU  78          HD21      LEU  78 -11.372 -14.250   7.785
  499   HD22  LEU  78          HD22      LEU  78 -12.843 -13.347   8.145
  500   HD23  LEU  78          HD23      LEU  78 -11.892 -12.948   6.714
  501    H    ARG  79           H        ARG  79 -12.195 -12.797  12.305
  502    HA   ARG  79           HA       ARG  79 -10.696 -13.020  14.793
  503    HB2  ARG  79           HB3      ARG  79 -13.598 -13.624  14.200
  504    HG2  ARG  79           HG3      ARG  79 -12.382 -11.245  15.586
  505    HD2  ARG  79           HD3      ARG  79 -14.497 -11.905  16.587
  506    HE   ARG  79           HE       ARG  79 -15.337 -12.481  13.954
  507   HH11  ARG  79          HH12      ARG  79 -16.496 -11.164  16.963
  508   HH12  ARG  79          HH11      ARG  79 -18.142 -11.620  16.678
  509   HH21  ARG  79          HH21      ARG  79 -17.502 -13.087  13.569
  510   HH22  ARG  79          HH22      ARG  79 -18.714 -12.716  14.750
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  -7.598  -6.183 -14.363
    2    H2   MET   1           H2       MET   1  -8.504  -7.189 -13.349
    3    H3   MET   1           H3       MET   1  -6.815  -7.274 -13.336
    4    HA   MET   1           HA       MET   1  -6.670  -5.038 -12.471
    5    HB2  MET   1           HB3      MET   1  -8.709  -4.146 -13.458
    6    HG2  MET   1           HG3      MET   1  -8.950  -4.080 -10.459
    7    HE1  MET   1           HE1      MET   1 -10.550  -0.987 -13.485
    8    HE2  MET   1           HE2      MET   1  -8.837  -1.252 -13.161
    9    HE3  MET   1           HE3      MET   1  -9.783  -2.498 -13.974
   10    H    ALA   2           H        ALA   2  -6.263  -4.913 -10.312
   11    HA   ALA   2           HA       ALA   2  -6.661  -7.283  -8.763
   12    HB1  ALA   2           HB1      ALA   2  -4.609  -5.986  -8.573
   13    HB2  ALA   2           HB2      ALA   2  -5.522  -4.610  -7.955
   14    HB3  ALA   2           HB3      ALA   2  -5.424  -6.098  -7.015
   15    H    SER   3           H        SER   3  -8.170  -7.720  -7.269
   16    HA   SER   3           HA       SER   3  -9.907  -5.527  -6.359
   17    HB2  SER   3           HB3      SER   3 -11.845  -7.052  -6.490
   18    HG   SER   3           HG       SER   3 -10.775  -8.859  -8.168
   19    H    LEU   4           H        LEU   4 -11.098  -6.038  -4.357
   20    HA   LEU   4           HA       LEU   4  -9.335  -7.090  -2.388
   21    HB2  LEU   4           HB3      LEU   4 -11.160  -6.607  -0.809
   22    HG   LEU   4           HG       LEU   4 -12.761  -6.046  -3.291
   23   HD11  LEU   4          HD11      LEU   4 -14.518  -7.159  -1.819
   24   HD12  LEU   4          HD12      LEU   4 -13.227  -8.183  -2.443
   25   HD13  LEU   4          HD13      LEU   4 -13.178  -7.624  -0.772
   26   HD21  LEU   4          HD21      LEU   4 -14.327  -4.772  -1.953
   27   HD22  LEU   4          HD22      LEU   4 -13.296  -4.950  -0.535
   28   HD23  LEU   4          HD23      LEU   4 -12.739  -4.006  -1.916
   29    H    MET   5           H        MET   5 -11.664  -8.558  -4.398
   30    HA   MET   5           HA       MET   5 -12.673 -10.575  -2.744
   31    HB2  MET   5           HB3      MET   5 -12.111 -10.656  -5.713
   32    HG2  MET   5           HG3      MET   5 -14.676 -10.058  -4.259
   33    HE1  MET   5           HE1      MET   5 -14.403 -12.535  -6.208
   34    HE2  MET   5           HE2      MET   5 -15.967 -12.038  -5.563
   35    HE3  MET   5           HE3      MET   5 -15.776 -12.316  -7.293
   36    H    GLU   6           H        GLU   6  -9.715 -10.433  -4.676
   37    HA   GLU   6           HA       GLU   6  -8.870 -13.072  -4.379
   38    HB2  GLU   6           HB3      GLU   6  -7.214 -10.553  -4.554
   39    HG2  GLU   6           HG3      GLU   6  -8.660 -10.834  -6.495
   40    H    VAL   7           H        VAL   7  -7.669 -10.266  -2.522
   41    HA   VAL   7           HA       VAL   7  -6.318 -11.722  -0.573
   42    HB   VAL   7           HB       VAL   7  -7.693  -9.067  -0.120
   43   HG11  VAL   7          HG11      VAL   7  -5.303 -10.352   1.199
   44   HG12  VAL   7          HG12      VAL   7  -5.872  -8.711   1.504
   45   HG13  VAL   7          HG13      VAL   7  -6.888 -10.090   1.924
   46   HG21  VAL   7          HG21      VAL   7  -6.360  -8.887  -2.116
   47   HG22  VAL   7          HG22      VAL   7  -5.524  -8.068  -0.797
   48   HG23  VAL   7          HG23      VAL   7  -4.992  -9.665  -1.318
   49    H    ARG   8           H        ARG   8  -9.667 -10.637  -0.716
   50    HA   ARG   8           HA       ARG   8 -10.585 -11.210   1.795
   51    HB2  ARG   8           HB3      ARG   8 -12.042 -10.216   0.181
   52    HG2  ARG   8           HG3      ARG   8 -13.106 -12.970   0.774
   53    HD2  ARG   8           HD3      ARG   8 -14.528 -10.409   0.056
   54    HE   ARG   8           HE       ARG   8 -15.552 -12.490   1.537
   55   HH11  ARG   8          HH12      ARG   8 -16.249 -10.992  -1.530
   56   HH12  ARG   8          HH11      ARG   8 -17.945 -11.337  -1.460
   57   HH21  ARG   8          HH21      ARG   8 -17.784 -12.946   1.641
   58   HH22  ARG   8          HH22      ARG   8 -18.818 -12.449   0.344
   59    H    ASP   9           H        ASP   9 -10.577 -13.507  -0.944
   60    HA   ASP   9           HA       ASP   9 -11.413 -15.749   0.476
   61    HB2  ASP   9           HB3      ASP   9  -9.522 -15.647  -1.887
   62    H    MET  10           H        MET  10  -8.133 -14.549  -0.146
   63    HA   MET  10           HA       MET  10  -6.662 -16.573   1.029
   64    HB2  MET  10           HB3      MET  10  -6.082 -13.606   1.143
   65    HG2  MET  10           HG3      MET  10  -6.412 -14.440  -1.162
   66    HE1  MET  10           HE1      MET  10  -2.688 -15.393  -0.594
   67    HE2  MET  10           HE2      MET  10  -3.447 -16.223   0.765
   68    HE3  MET  10           HE3      MET  10  -2.736 -17.156  -0.553
   69    H    LEU  11           H        LEU  11  -8.586 -14.085   2.521
   70    HA   LEU  11           HA       LEU  11  -7.485 -14.401   5.149
   71    HB2  LEU  11           HB3      LEU  11 -10.091 -13.160   4.266
   72    HG   LEU  11           HG       LEU  11  -8.260 -11.891   3.309
   73   HD11  LEU  11          HD11      LEU  11  -9.357 -10.548   5.772
   74   HD12  LEU  11          HD12      LEU  11  -8.675  -9.739   4.362
   75   HD13  LEU  11          HD13      LEU  11 -10.169 -10.664   4.211
   76   HD21  LEU  11          HD21      LEU  11  -7.155 -11.811   6.112
   77   HD22  LEU  11          HD22      LEU  11  -6.456 -12.663   4.734
   78   HD23  LEU  11          HD23      LEU  11  -6.529 -10.901   4.738
   79    H    ALA  12           H        ALA  12 -10.631 -15.275   3.716
   80    HA   ALA  12           HA       ALA  12 -11.674 -16.666   5.871
   81    HB1  ALA  12           HB1      ALA  12 -12.113 -17.242   2.947
   82    HB2  ALA  12           HB2      ALA  12 -13.151 -17.764   4.273
   83    HB3  ALA  12           HB3      ALA  12 -12.984 -16.046   3.907
   84    H    LEU  13           H        LEU  13  -9.159 -17.592   3.704
   85    HA   LEU  13           HA       LEU  13  -9.272 -20.360   4.686
   86    HB2  LEU  13           HB3      LEU  13  -8.021 -19.123   2.249
   87    HG   LEU  13           HG       LEU  13  -9.772 -21.564   2.295
   88   HD11  LEU  13          HD11      LEU  13 -11.634 -20.030   1.607
   89   HD12  LEU  13          HD12      LEU  13 -11.169 -19.923   3.305
   90   HD13  LEU  13          HD13      LEU  13 -10.642 -18.685   2.166
   91   HD21  LEU  13          HD21      LEU  13  -8.421 -21.129   0.308
   92   HD22  LEU  13          HD22      LEU  13 -10.143 -20.940  -0.029
   93   HD23  LEU  13          HD23      LEU  13  -9.124 -19.515   0.184
   94    H    GLN  14           H        GLN  14  -8.041 -17.820   5.948
   95    HA   GLN  14           HA       GLN  14  -5.703 -19.170   6.949
   96    HB2  GLN  14           HB3      GLN  14  -5.402 -16.597   5.393
   97    HG2  GLN  14           HG3      GLN  14  -4.126 -19.294   4.997
   98   HE21  GLN  14          HE22      GLN  14  -2.028 -18.473   4.985
   99   HE22  GLN  14          HE21      GLN  14  -1.452 -17.457   3.711
  100    H    GLY  15           H        GLY  15  -6.434 -15.698   6.771
  101    HA2  GLY  15           HA2      GLY  15  -7.816 -14.860   8.749
  102    HA3  GLY  15           HA3      GLY  15  -6.608 -15.695   9.715
  103    H    ARG  16           H        ARG  16  -4.866 -14.584  10.344
  104    HA   ARG  16           HA       ARG  16  -4.623 -11.831   9.909
  105    HB2  ARG  16           HB3      ARG  16  -2.709 -13.906  10.942
  106    HG2  ARG  16           HG3      ARG  16  -2.939 -12.694  13.054
  107    HD2  ARG  16           HD3      ARG  16  -5.266 -13.273  13.560
  108    HE   ARG  16           HE       ARG  16  -3.426 -15.106  12.688
  109   HH11  ARG  16          HH12      ARG  16  -6.900 -14.850  12.680
  110   HH12  ARG  16          HH11      ARG  16  -7.156 -16.562  12.764
  111   HH21  ARG  16          HH21      ARG  16  -3.752 -17.363  12.803
  112   HH22  ARG  16          HH22      ARG  16  -5.366 -17.990  12.835
  113    H    MET  17           H        MET  17  -3.878 -10.706   8.244
  114    HA   MET  17           HA       MET  17  -1.663 -11.611   6.655
  115    HB2  MET  17           HB3      MET  17  -4.463 -11.670   5.593
  116    HG2  MET  17           HG3      MET  17  -2.087 -13.482   5.320
  117    HE1  MET  17           HE1      MET  17  -3.140 -12.009   2.640
  118    HE2  MET  17           HE2      MET  17  -1.834 -13.193   2.724
  119    HE3  MET  17           HE3      MET  17  -3.144 -13.405   1.562
  120    H    GLU  18           H        GLU  18  -1.428 -10.038   4.680
  121    HA   GLU  18           HA       GLU  18  -2.417  -7.361   5.247
  122    HB2  GLU  18           HB3      GLU  18  -0.138  -6.395   5.220
  123    HG2  GLU  18           HG3      GLU  18   0.766  -9.255   5.424
  124    H    ALA  19           H        ALA  19  -2.491  -6.043   3.448
  125    HA   ALA  19           HA       ALA  19  -2.258  -7.359   0.910
  126    HB1  ALA  19           HB1      ALA  19  -3.031  -5.204  -0.010
  127    HB2  ALA  19           HB2      ALA  19  -4.061  -5.796   1.295
  128    HB3  ALA  19           HB3      ALA  19  -2.908  -4.498   1.602
  129    H    LYS  20           H        LYS  20  -0.236  -5.328   2.827
  130    HA   LYS  20           HA       LYS  20   1.360  -4.033   1.011
  131    HB2  LYS  20           HB3      LYS  20   1.663  -3.662   3.354
  132    HG2  LYS  20           HG3      LYS  20   4.167  -5.073   2.460
  133    HD2  LYS  20           HD3      LYS  20   3.806  -2.691   4.269
  134    HE2  LYS  20           HE3      LYS  20   6.127  -3.082   4.849
  135    HZ1  LYS  20           HZ1      LYS  20   5.733  -1.651   2.950
  136    HZ2  LYS  20           HZ2      LYS  20   5.764  -2.981   1.904
  137    HZ3  LYS  20           HZ3      LYS  20   7.164  -2.527   2.736
  138    H    GLN  21           H        GLN  21   2.076  -7.250   2.388
  139    HA   GLN  21           HA       GLN  21   4.265  -7.847   0.800
  140    HB2  GLN  21           HB3      GLN  21   2.189  -9.746   1.911
  141    HG2  GLN  21           HG3      GLN  21   3.220  -8.494   3.691
  142   HE21  GLN  21          HE22      GLN  21   5.004  -7.722   4.806
  143   HE22  GLN  21          HE21      GLN  21   6.557  -7.565   4.069
  144    H    LEU  22           H        LEU  22   0.874  -8.795   0.240
  145    HA   LEU  22           HA       LEU  22   1.258 -10.046  -2.221
  146    HB2  LEU  22           HB3      LEU  22  -1.164  -8.533  -1.242
  147    HG   LEU  22           HG       LEU  22  -0.608 -10.372   0.287
  148   HD11  LEU  22          HD11      LEU  22  -2.951  -9.848  -0.143
  149   HD12  LEU  22          HD12      LEU  22  -2.963 -10.978  -1.496
  150   HD13  LEU  22          HD13      LEU  22  -2.725 -11.572   0.149
  151   HD21  LEU  22          HD21      LEU  22  -0.771 -12.104  -2.177
  152   HD22  LEU  22          HD22      LEU  22   0.686 -11.751  -1.248
  153   HD23  LEU  22          HD23      LEU  22  -0.621 -12.682  -0.519
  154    H    SER  23           H        SER  23   0.764  -6.649  -1.442
  155    HA   SER  23           HA       SER  23   0.369  -5.744  -4.089
  156    HB2  SER  23           HB3      SER  23   1.433  -4.254  -1.678
  157    HG   SER  23           HG       SER  23  -0.627  -4.891  -1.243
  158    H    ALA  24           H        ALA  24   3.272  -5.999  -2.065
  159    HA   ALA  24           HA       ALA  24   4.984  -4.923  -4.110
  160    HB1  ALA  24           HB1      ALA  24   5.709  -6.340  -1.549
  161    HB2  ALA  24           HB2      ALA  24   6.804  -5.415  -2.577
  162    HB3  ALA  24           HB3      ALA  24   5.485  -4.601  -1.735
  163    H    ARG  25           H        ARG  25   3.781  -8.046  -3.287
  164    HA   ARG  25           HA       ARG  25   5.904  -9.478  -4.636
  165    HB2  ARG  25           HB3      ARG  25   4.775 -10.462  -2.680
  166    HG2  ARG  25           HG3      ARG  25   4.277 -11.995  -5.224
  167    HD2  ARG  25           HD3      ARG  25   4.421 -12.929  -2.361
  168    HE   ARG  25           HE       ARG  25   5.176 -14.409  -4.514
  169   HH11  ARG  25          HH12      ARG  25   2.525 -14.559  -2.261
  170   HH12  ARG  25          HH11      ARG  25   2.364 -16.281  -2.366
  171   HH21  ARG  25          HH21      ARG  25   4.974 -16.677  -4.657
  172   HH22  ARG  25          HH22      ARG  25   3.756 -17.484  -3.727
  173    H    LEU  26           H        LEU  26   2.703  -8.290  -5.354
  174    HA   LEU  26           HA       LEU  26   2.820  -9.581  -7.994
  175    HB2  LEU  26           HB3      LEU  26   0.506  -8.547  -6.373
  176    HG   LEU  26           HG       LEU  26  -0.462 -10.793  -6.820
  177   HD11  LEU  26          HD11      LEU  26   0.959 -12.586  -7.604
  178   HD12  LEU  26          HD12      LEU  26   0.856 -11.316  -8.822
  179   HD13  LEU  26          HD13      LEU  26   2.301 -11.461  -7.820
  180   HD21  LEU  26          HD21      LEU  26   2.183 -10.785  -5.373
  181   HD22  LEU  26          HD22      LEU  26   0.624 -10.322  -4.693
  182   HD23  LEU  26          HD23      LEU  26   0.912 -11.990  -5.186
  183    H    GLN  27           H        GLN  27   3.605  -6.710  -6.612
  184    HA   GLN  27           HA       GLN  27   4.023  -4.633  -7.425
  185    HB2  GLN  27           HB3      GLN  27   3.370  -5.869 -10.108
  186    HG2  GLN  27           HG3      GLN  27   6.083  -5.432  -8.886
  187   HE21  GLN  27          HE22      GLN  27   5.109  -4.663 -11.520
  188   HE22  GLN  27          HE21      GLN  27   5.995  -5.613 -12.657
  189    H    THR  28           H        THR  28   2.443  -3.393  -6.563
  190    HA   THR  28           HA       THR  28   0.338  -2.487  -8.281
  191    HB   THR  28           HB       THR  28  -0.449  -3.955  -5.758
  192    HG1  THR  28           HG1      THR  28  -1.058  -4.563  -8.477
  193   HG21  THR  28          HG21      THR  28  -2.204  -2.640  -7.832
  194   HG22  THR  28          HG22      THR  28  -1.808  -1.932  -6.265
  195   HG23  THR  28          HG23      THR  28  -2.727  -3.435  -6.348
  196    HA   PRO  29           HA       PRO  29   1.103   1.331  -6.179
  197    HB2  PRO  29           HB3      PRO  29  -1.886   1.500  -6.244
  198    HG2  PRO  29           HG3      PRO  29  -1.953   1.339  -8.564
  199    HD2  PRO  29           HD3      PRO  29  -1.492  -0.863  -8.148
  200    H    GLN  30           H        GLN  30   1.304   1.893  -4.082
  201    HA   GLN  30           HA       GLN  30   0.238   0.146  -2.073
  202    HB2  GLN  30           HB3      GLN  30   1.932   2.637  -1.869
  203    HG2  GLN  30           HG3      GLN  30   3.700   1.097  -1.189
  204   HE21  GLN  30          HE22      GLN  30   4.520   2.263  -2.930
  205   HE22  GLN  30          HE21      GLN  30   4.497   1.641  -4.542
  206    HA   PRO  31           HA       PRO  31  -1.982   4.427  -0.864
  207    HB2  PRO  31           HB3      PRO  31  -2.641   5.129  -3.682
  208    HG2  PRO  31           HG3      PRO  31  -0.480   5.785  -4.223
  209    HD2  PRO  31           HD3      PRO  31  -0.180   3.504  -4.242
  210    H    LEU  32           H        LEU  32  -2.921   2.796  -3.893
  211    HA   LEU  32           HA       LEU  32  -5.665   2.793  -3.542
  212    HB2  LEU  32           HB3      LEU  32  -4.363   2.063  -5.577
  213    HG   LEU  32           HG       LEU  32  -5.943   0.505  -6.436
  214   HD11  LEU  32          HD11      LEU  32  -7.022  -0.053  -3.699
  215   HD12  LEU  32          HD12      LEU  32  -7.283  -0.943  -5.196
  216   HD13  LEU  32          HD13      LEU  32  -5.718  -1.019  -4.387
  217   HD21  LEU  32          HD21      LEU  32  -6.805   2.755  -5.984
  218   HD22  LEU  32          HD22      LEU  32  -8.065   1.527  -5.846
  219   HD23  LEU  32          HD23      LEU  32  -7.345   2.220  -4.392
  220    H    ILE  33           H        ILE  33  -3.286   0.409  -2.422
  221    HA   ILE  33           HA       ILE  33  -4.907  -1.539  -1.390
  222    HB   ILE  33           HB       ILE  33  -2.374  -0.468  -0.134
  223   HG12  ILE  33          HG13      ILE  33  -2.116  -1.181  -2.480
  224   HG21  ILE  33          HG21      ILE  33  -3.639  -1.832   1.439
  225   HG22  ILE  33          HG22      ILE  33  -3.747  -3.124   0.246
  226   HG23  ILE  33          HG23      ILE  33  -2.180  -2.672   0.914
  227   HD11  ILE  33          HD11      ILE  33  -3.089  -3.864  -1.531
  228   HD12  ILE  33          HD12      ILE  33  -3.928  -2.793  -2.652
  229   HD13  ILE  33          HD13      ILE  33  -2.384  -3.512  -3.109
  230    H    ASP  34           H        ASP  34  -4.067   1.556   0.101
  231    HA   ASP  34           HA       ASP  34  -5.081   1.197   2.637
  232    HB2  ASP  34           HB3      ASP  34  -3.890   3.215   2.034
  233    H    ALA  35           H        ALA  35  -6.791   1.921  -0.340
  234    HA   ALA  35           HA       ALA  35  -9.333   2.249   0.977
  235    HB1  ALA  35           HB1      ALA  35 -10.243   2.483  -1.272
  236    HB2  ALA  35           HB2      ALA  35  -8.815   3.496  -1.062
  237    HB3  ALA  35           HB3      ALA  35  -8.697   1.983  -1.960
  238    H    MET  36           H        MET  36  -7.587  -0.326  -0.615
  239    HA   MET  36           HA       MET  36  -9.702  -2.064  -1.162
  240    HB2  MET  36           HB3      MET  36  -7.392  -2.388  -1.978
  241    HG2  MET  36           HG3      MET  36  -8.273  -4.753  -0.340
  242    HE1  MET  36           HE1      MET  36  -5.200  -3.966  -0.729
  243    HE2  MET  36           HE2      MET  36  -5.720  -5.454   0.059
  244    HE3  MET  36           HE3      MET  36  -4.520  -5.515  -1.230
  245    H    LEU  37           H        LEU  37  -7.633  -1.907   1.741
  246    HA   LEU  37           HA       LEU  37  -9.247  -3.861   3.103
  247    HB2  LEU  37           HB3      LEU  37  -7.010  -2.091   4.084
  248    HG   LEU  37           HG       LEU  37  -7.059  -4.793   2.894
  249   HD11  LEU  37          HD11      LEU  37  -4.779  -4.181   2.287
  250   HD12  LEU  37          HD12      LEU  37  -5.922  -2.917   1.836
  251   HD13  LEU  37          HD13      LEU  37  -4.904  -2.719   3.264
  252   HD21  LEU  37          HD21      LEU  37  -6.676  -5.308   5.273
  253   HD22  LEU  37          HD22      LEU  37  -5.266  -5.649   4.271
  254   HD23  LEU  37          HD23      LEU  37  -5.305  -4.201   5.274
  255    H    GLU  38           H        GLU  38  -8.707  -0.356   3.413
  256    HA   GLU  38           HA       GLU  38 -10.381   0.098   5.592
  257    HB2  GLU  38           HB3      GLU  38  -9.669   1.862   3.250
  258    HG2  GLU  38           HG3      GLU  38  -7.824   1.298   4.778
  259    H    ARG  39           H        ARG  39 -11.141  -0.044   2.138
  260    HA   ARG  39           HA       ARG  39 -13.878   0.673   2.441
  261    HB2  ARG  39           HB3      ARG  39 -12.690   0.923   0.308
  262    HG2  ARG  39           HG3      ARG  39 -14.918  -1.085   0.049
  263    HD2  ARG  39           HD3      ARG  39 -13.817   0.954  -1.879
  264    HE   ARG  39           HE       ARG  39 -16.383  -0.165  -1.847
  265   HH11  ARG  39          HH12      ARG  39 -13.696   0.274  -4.019
  266   HH12  ARG  39          HH11      ARG  39 -14.684   0.318  -5.440
  267   HH21  ARG  39          HH21      ARG  39 -17.693  -0.107  -3.715
  268   HH22  ARG  39          HH22      ARG  39 -16.955   0.104  -5.268
  269    H    MET  40           H        MET  40 -12.317  -2.456   1.748
  270    HA   MET  40           HA       MET  40 -14.554  -4.071   1.887
  271    HB2  MET  40           HB3      MET  40 -12.336  -4.839   1.146
  272    HG2  MET  40           HG3      MET  40 -12.229  -7.020   2.252
  273    HE1  MET  40           HE1      MET  40 -13.702  -9.104   1.620
  274    HE2  MET  40           HE2      MET  40 -14.819  -8.643   2.905
  275    HE3  MET  40           HE3      MET  40 -15.433  -9.014   1.293
  276    H    GLU  41           H        GLU  41 -12.607  -2.720   4.472
  277    HA   GLU  41           HA       GLU  41 -14.007  -4.211   6.528
  278    HB2  GLU  41           HB3      GLU  41 -11.561  -3.604   6.660
  279    HG2  GLU  41           HG3      GLU  41 -12.898  -4.168   8.698
  280    H    ALA  42           H        ALA  42 -14.149  -1.110   4.985
  281    HA   ALA  42           HA       ALA  42 -15.418   0.474   6.839
  282    HB1  ALA  42           HB1      ALA  42 -15.999   0.356   3.882
  283    HB2  ALA  42           HB2      ALA  42 -16.381   1.697   4.962
  284    HB3  ALA  42           HB3      ALA  42 -14.700   1.273   4.645
  285    H    MET  43           H        MET  43 -16.653  -2.290   5.160
  286    HA   MET  43           HA       MET  43 -19.420  -1.699   5.737
  287    HB2  MET  43           HB3      MET  43 -18.105  -4.206   4.677
  288    HG2  MET  43           HG3      MET  43 -17.963  -2.339   3.110
  289    HE1  MET  43           HE1      MET  43 -20.720  -0.346   1.144
  290    HE2  MET  43           HE2      MET  43 -18.989  -0.635   1.317
  291    HE3  MET  43           HE3      MET  43 -20.046  -1.927   0.750
  292    H    GLY  44           H        GLY  44 -16.784  -3.359   7.242
  293    HA2  GLY  44           HA2      GLY  44 -17.024  -3.633   9.681
  294    HA3  GLY  44           HA3      GLY  44 -18.632  -4.274   9.360
  295    H    LYS  45           H        LYS  45 -15.340  -4.919   8.126
  296    HA   LYS  45           HA       LYS  45 -15.850  -7.701   7.822
  297    HB2  LYS  45           HB3      LYS  45 -14.208  -6.642   6.417
  298    HG2  LYS  45           HG3      LYS  45 -12.216  -8.009   6.738
  299    HD2  LYS  45           HD3      LYS  45 -14.744  -9.524   7.378
  300    HE2  LYS  45           HE3      LYS  45 -12.198 -10.384   6.009
  301    HZ1  LYS  45           HZ1      LYS  45 -13.232 -12.560   5.959
  302    HZ2  LYS  45           HZ2      LYS  45 -14.154 -11.451   5.074
  303    HZ3  LYS  45           HZ3      LYS  45 -14.659 -11.929   6.614
  304    H    VAL  46           H        VAL  46 -13.058  -6.576   9.674
  305    HA   VAL  46           HA       VAL  46 -14.040  -7.676  12.146
  306    HB   VAL  46           HB       VAL  46 -11.728  -9.049  10.763
  307   HG11  VAL  46          HG11      VAL  46 -12.855  -9.280  13.539
  308   HG12  VAL  46          HG12      VAL  46 -11.927 -10.580  12.792
  309   HG13  VAL  46          HG13      VAL  46 -11.185  -9.001  13.048
  310   HG21  VAL  46          HG21      VAL  46 -13.207 -11.054  10.938
  311   HG22  VAL  46          HG22      VAL  46 -14.514  -9.978  11.433
  312   HG23  VAL  46          HG23      VAL  46 -13.794  -9.812   9.832
  313    H    VAL  47           H        VAL  47 -10.699  -7.433  10.926
  314    HA   VAL  47           HA       VAL  47 -10.295  -4.946  12.363
  315    HB   VAL  47           HB       VAL  47  -8.746  -7.427  13.121
  316   HG11  VAL  47          HG11      VAL  47  -7.627  -5.976  14.754
  317   HG12  VAL  47          HG12      VAL  47  -7.324  -5.451  13.098
  318   HG13  VAL  47          HG13      VAL  47  -8.488  -4.584  14.099
  319   HG21  VAL  47          HG21      VAL  47 -10.686  -5.758  14.719
  320   HG22  VAL  47          HG22      VAL  47 -10.972  -7.388  14.110
  321   HG23  VAL  47          HG23      VAL  47  -9.739  -7.109  15.339
  322    H    ARG  48           H        ARG  48  -8.747  -3.712  11.465
  323    HA   ARG  48           HA       ARG  48  -6.863  -4.965   9.595
  324    HB2  ARG  48           HB3      ARG  48  -7.196  -2.901   8.123
  325    HG2  ARG  48           HG3      ARG  48  -9.529  -2.007   8.175
  326    HD2  ARG  48           HD3      ARG  48  -7.977  -1.316  10.657
  327    HE   ARG  48           HE       ARG  48 -10.209  -0.111   9.542
  328   HH11  ARG  48          HH12      ARG  48  -6.979   0.782  10.486
  329   HH12  ARG  48          HH11      ARG  48  -7.399   2.421  10.855
  330   HH21  ARG  48          HH21      ARG  48 -10.776   2.046  10.026
  331   HH22  ARG  48          HH22      ARG  48  -9.560   3.141  10.595
  332    H    ILE  49           H        ILE  49  -5.014  -3.536   9.048
  333    HA   ILE  49           HA       ILE  49  -4.441  -1.554  11.141
  334    HB   ILE  49           HB       ILE  49  -2.507  -3.698  10.253
  335   HG12  ILE  49          HG13      ILE  49  -3.833  -3.311  12.945
  336   HG21  ILE  49          HG21      ILE  49  -1.407  -1.585  10.750
  337   HG22  ILE  49          HG22      ILE  49  -2.220  -1.517  12.314
  338   HG23  ILE  49          HG23      ILE  49  -1.040  -2.786  11.988
  339   HD11  ILE  49          HD11      ILE  49  -1.636  -4.396  13.068
  340   HD12  ILE  49          HD12      ILE  49  -2.955  -5.479  13.511
  341   HD13  ILE  49          HD13      ILE  49  -2.194  -5.617  11.926
  342    H    SER  50           H        SER  50  -4.110   0.308  10.120
  343    HA   SER  50           HA       SER  50  -3.111   0.355   7.397
  344    HB2  SER  50           HB3      SER  50  -3.569   2.770   7.499
  345    HG   SER  50           HG       SER  50  -4.750   2.620   9.989
  346    H    GLU  51           H        GLU  51  -0.999   0.351   7.003
  347    HA   GLU  51           HA       GLU  51   0.762   1.919   8.756
  348    HB2  GLU  51           HB3      GLU  51   0.964  -0.442   9.398
  349    HG2  GLU  51           HG3      GLU  51   3.355  -0.790   9.071
  350    H    THR  52           H        THR  52   2.766   2.586   7.759
  351    HA   THR  52           HA       THR  52   2.566   2.721   4.821
  352    HB   THR  52           HB       THR  52   2.284   4.920   5.792
  353    HG1  THR  52           HG1      THR  52   3.430   5.194   3.975
  354   HG21  THR  52          HG21      THR  52   4.943   4.450   7.146
  355   HG22  THR  52          HG22      THR  52   3.373   4.523   7.947
  356   HG23  THR  52          HG23      THR  52   4.029   5.959   7.161
  357    H    SER  53           H        SER  53   4.559   2.747   3.620
  358    HA   SER  53           HA       SER  53   6.580   1.041   4.846
  359    HB2  SER  53           HB3      SER  53   7.435   0.776   2.540
  360    HG   SER  53           HG       SER  53   6.722   1.975   0.950
  361    H    GLU  54           H        GLU  54   8.422   1.818   5.621
  362    HA   GLU  54           HA       GLU  54  10.158   3.211   6.087
  363    HB2  GLU  54           HB3      GLU  54   9.657   4.137   3.253
  364    HG2  GLU  54           HG3      GLU  54  10.266   1.778   3.360
  365    H    GLY  55           H        GLY  55  10.665   5.354   6.751
  366    HA2  GLY  55           HA2      GLY  55   8.339   7.176   6.699
  367    HA3  GLY  55           HA3      GLY  55   9.346   6.956   8.121
  368    H    CYS  56           H        CYS  56  11.847   6.916   6.706
  369    HA   CYS  56           HA       CYS  56  13.472   8.315   5.951
  370    HB2  CYS  56           HB3      CYS  56  11.999   8.589   3.984
  371    HG   CYS  56           HG       CYS  56  14.265  10.756   4.921
  372    H    LEU  57           H        LEU  57  10.791  10.548   6.694
  373    HA   LEU  57           HA       LEU  57  12.549  12.307   8.133
  374    HB2  LEU  57           HB3      LEU  57   9.550  12.296   7.787
  375    HG   LEU  57           HG       LEU  57   9.879  14.262   6.373
  376   HD11  LEU  57          HD11      LEU  57  12.819  13.693   6.715
  377   HD12  LEU  57          HD12      LEU  57  12.123  14.867   5.599
  378   HD13  LEU  57          HD13      LEU  57  11.946  15.092   7.341
  379   HD21  LEU  57          HD21      LEU  57  10.631  13.142   4.419
  380   HD22  LEU  57          HD22      LEU  57  11.604  12.013   5.359
  381   HD23  LEU  57          HD23      LEU  57   9.843  11.931   5.429
  382    H    SER  58           H        SER  58  11.845  13.096  10.362
  383    HA   SER  58           HA       SER  58  11.312  10.740  12.039
  384    HB2  SER  58           HB3      SER  58  12.753  13.314  12.727
  385    HG   SER  58           HG       SER  58  14.571  11.991  12.767
  386    H    GLY  59           H        GLY  59  10.392  14.066  11.412
  387    HA2  GLY  59           HA2      GLY  59   8.698  14.410  13.657
  388    HA3  GLY  59           HA3      GLY  59   8.639  15.345  12.170
  389    H    SER  60           H        SER  60   7.601  14.180  10.281
  390    HA   SER  60           HA       SER  60   5.129  12.948  11.247
  391    HB2  SER  60           HB3      SER  60   5.829  14.133   8.548
  392    HG   SER  60           HG       SER  60   5.449  15.852   9.751
  393    H    CYS  61           H        CYS  61   4.474  10.930  10.682
  394    HA   CYS  61           HA       CYS  61   6.481   9.206   9.470
  395    HB2  CYS  61           HB3      CYS  61   3.835   8.551  10.783
  396    HG   CYS  61           HG       CYS  61   4.862   8.866  13.110
  397    H    LYS  62           H        LYS  62   2.939   9.497   9.115
  398    HA   LYS  62           HA       LYS  62   3.107   8.435   6.423
  399    HB2  LYS  62           HB3      LYS  62   0.674   8.471   6.464
  400    HG2  LYS  62           HG3      LYS  62   0.958   9.867   9.115
  401    HD2  LYS  62           HD3      LYS  62  -1.474   8.695   7.769
  402    HE2  LYS  62           HE3      LYS  62  -1.208  10.361  10.268
  403    HZ1  LYS  62           HZ1      LYS  62  -3.612  10.090  10.429
  404    HZ2  LYS  62           HZ2      LYS  62  -2.815   8.607  10.596
  405    HZ3  LYS  62           HZ3      LYS  62  -3.590   8.993   9.142
  406    H    SER  63           H        SER  63   2.119  11.463   7.991
  407    HA   SER  63           HA       SER  63   1.450  12.802   5.584
  408    HB2  SER  63           HB3      SER  63   0.593  13.553   7.754
  409    HG   SER  63           HG       SER  63   2.296  15.609   6.854
  410    H    CYS  64           H        CYS  64   2.599  14.326   4.393
  411    HA   CYS  64           HA       CYS  64   5.453  14.626   4.973
  412    HB2  CYS  64           HB3      CYS  64   4.343  13.766   2.292
  413    HG   CYS  64           HG       CYS  64   6.041  12.036   4.672
  414    HA   PRO  65           HA       PRO  65   5.230  18.883   3.922
  415    HB2  PRO  65           HB3      PRO  65   7.105  18.301   1.667
  416    HG2  PRO  65           HG3      PRO  65   8.719  17.384   3.072
  417    HD2  PRO  65           HD3      PRO  65   7.248  15.623   3.052
  418    H    GLU  66           H        GLU  66   5.271  16.732   1.087
  419    HA   GLU  66           HA       GLU  66   3.109  18.366  -0.071
  420    HB2  GLU  66           HB3      GLU  66   5.170  18.720  -1.334
  421    HG2  GLU  66           HG3      GLU  66   4.495  18.004  -3.561
  422    H    GLY  67           H        GLY  67   4.612  15.152   0.038
  423    HA2  GLY  67           HA2      GLY  67   3.192  13.250   0.572
  424    HA3  GLY  67           HA3      GLY  67   1.924  14.008  -0.379
  425    H    LYS  68           H        LYS  68   5.186  14.050  -1.545
  426    HA   LYS  68           HA       LYS  68   4.556  12.908  -4.009
  427    HB2  LYS  68           HB3      LYS  68   6.962  12.752  -4.383
  428    HG2  LYS  68           HG3      LYS  68   7.246  13.366  -1.449
  429    HD2  LYS  68           HD3      LYS  68   8.865  14.614  -2.780
  430    HE2  LYS  68           HE3      LYS  68   8.850  13.213  -4.786
  431    HZ1  LYS  68           HZ1      LYS  68  10.126  11.169  -4.819
  432    HZ2  LYS  68           HZ2      LYS  68   8.837  11.037  -3.730
  433    HZ3  LYS  68           HZ3      LYS  68  10.409  11.281  -3.156
  434    H    ALA  69           H        ALA  69   5.030  10.867  -4.918
  435    HA   ALA  69           HA       ALA  69   5.174   8.595  -4.985
  436    HB1  ALA  69           HB1      ALA  69   6.401   8.838  -2.240
  437    HB2  ALA  69           HB2      ALA  69   6.464   7.427  -3.297
  438    HB3  ALA  69           HB3      ALA  69   7.284   8.916  -3.765
  439    H    ALA  70           H        ALA  70   4.514   9.254  -1.539
  440    HA   ALA  70           HA       ALA  70   2.817   8.617  -0.162
  441    HB1  ALA  70           HB1      ALA  70   1.234   8.549  -2.729
  442    HB2  ALA  70           HB2      ALA  70   0.556   8.530  -1.100
  443    HB3  ALA  70           HB3      ALA  70   1.444   9.943  -1.669
  444    H    CYS  71           H        CYS  71   2.589   6.733   0.838
  445    HA   CYS  71           HA       CYS  71   1.865   4.339  -0.619
  446    HB2  CYS  71           HB3      CYS  71   3.788   3.031   0.230
  447    HG   CYS  71           HG       CYS  71   6.261   4.590   0.833
  448    H    ARG  72           H        ARG  72   0.109   3.908   0.583
  449    HA   ARG  72           HA       ARG  72   0.534   3.440   3.454
  450    HB2  ARG  72           HB3      ARG  72  -1.834   4.267   3.805
  451    HG2  ARG  72           HG3      ARG  72  -1.433   5.722   1.215
  452    HD2  ARG  72           HD3      ARG  72  -3.751   5.412   3.101
  453    HE   ARG  72           HE       ARG  72  -3.897   5.984   0.370
  454   HH11  ARG  72          HH12      ARG  72  -4.935   7.325   3.413
  455   HH12  ARG  72          HH11      ARG  72  -6.327   8.106   2.742
  456   HH21  ARG  72          HH21      ARG  72  -5.723   7.012  -0.525
  457   HH22  ARG  72          HH22      ARG  72  -6.774   7.931   0.501
  458    H    GLN  73           H        GLN  73   0.529   1.263   3.441
  459    HA   GLN  73           HA       GLN  73  -1.730  -0.110   2.145
  460    HB2  GLN  73           HB3      GLN  73   0.804  -1.433   3.085
  461    HG2  GLN  73           HG3      GLN  73   0.359  -0.413   0.295
  462   HE21  GLN  73          HE22      GLN  73   3.301  -0.427   2.129
  463   HE22  GLN  73          HE21      GLN  73   4.094  -1.676   1.237
  464    H    GLU  74           H        GLU  74  -3.164  -1.211   3.359
  465    HA   GLU  74           HA       GLU  74  -2.765  -1.210   6.260
  466    HB2  GLU  74           HB3      GLU  74  -5.294  -2.273   5.157
  467    HG2  GLU  74           HG3      GLU  74  -4.935  -0.472   3.581
  468    H    TRP  75           H        TRP  75  -3.760  -3.189   7.407
  469    HA   TRP  75           HA       TRP  75  -2.927  -5.634   5.998
  470    HB2  TRP  75           HB3      TRP  75  -2.562  -5.145   8.958
  471    HD1  TRP  75           HD1      TRP  75  -0.797  -4.604   5.603
  472    HE1  TRP  75           HE1      TRP  75   1.417  -3.369   6.034
  473    HE3  TRP  75           HE3      TRP  75  -0.771  -4.743  10.713
  474    HZ2  TRP  75           HZ2      TRP  75   2.970  -2.559   8.245
  475    HZ3  TRP  75           HZ3      TRP  75   1.117  -3.715  11.910
  476    HH2  TRP  75           HH2      TRP  75   2.949  -2.647  10.700
  477    H    TRP  76           H        TRP  76  -4.060  -7.537   6.501
  478    HA   TRP  76           HA       TRP  76  -6.761  -7.055   7.509
  479    HB2  TRP  76           HB3      TRP  76  -5.514  -9.161   5.780
  480    HD1  TRP  76           HD1      TRP  76  -5.802  -8.239   3.419
  481    HE1  TRP  76           HE1      TRP  76  -7.619  -6.918   2.160
  482    HE3  TRP  76           HE3      TRP  76  -9.106  -7.549   7.256
  483    HZ2  TRP  76           HZ2      TRP  76 -10.117  -5.740   2.723
  484    HZ3  TRP  76           HZ3      TRP  76 -11.187  -6.313   6.814
  485    HH2  TRP  76           HH2      TRP  76 -11.682  -5.426   4.597
  486    H    ALA  77           H        ALA  77  -7.723  -8.311   9.112
  487    HA   ALA  77           HA       ALA  77  -6.279 -10.390  10.464
  488    HB1  ALA  77           HB1      ALA  77  -6.703  -7.784  11.922
  489    HB2  ALA  77           HB2      ALA  77  -6.081  -9.278  12.624
  490    HB3  ALA  77           HB3      ALA  77  -5.149  -8.429  11.389
  491    H    LEU  78           H        LEU  78  -7.715 -11.790  11.223
  492    HA   LEU  78           HA       LEU  78 -10.496 -10.919  11.528
  493    HB2  LEU  78           HB3      LEU  78  -9.287 -13.662  11.194
  494    HG   LEU  78           HG       LEU  78 -11.046 -12.061   9.338
  495   HD11  LEU  78          HD11      LEU  78  -8.837 -11.313   9.081
  496   HD12  LEU  78          HD12      LEU  78  -8.180 -12.940   9.259
  497   HD13  LEU  78          HD13      LEU  78  -9.070 -12.503   7.799
  498   HD21  LEU  78          HD21      LEU  78 -11.697 -14.421   9.386
  499   HD22  LEU  78          HD22      LEU  78 -10.925 -13.996   7.858
  500   HD23  LEU  78          HD23      LEU  78 -10.024 -14.888   9.084
  501    H    ARG  79           H        ARG  79 -11.625 -12.646  13.175
  502    HA   ARG  79           HA       ARG  79 -10.337 -12.067  15.734
  503    HB2  ARG  79           HB3      ARG  79 -12.704 -11.424  15.414
  504    HG2  ARG  79           HG3      ARG  79 -12.384 -13.633  17.435
  505    HD2  ARG  79           HD3      ARG  79 -14.347 -11.352  17.255
  506    HE   ARG  79           HE       ARG  79 -13.437 -12.490  19.584
  507   HH11  ARG  79          HH12      ARG  79 -16.489 -12.271  17.922
  508   HH12  ARG  79          HH11      ARG  79 -17.431 -12.323  19.376
  509   HH21  ARG  79          HH21      ARG  79 -14.668 -12.558  21.504
  510   HH22  ARG  79          HH22      ARG  79 -16.396 -12.483  21.411
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -9.778  -7.887 -13.446
    2    H2   MET   1           H2       MET   1  -8.431  -8.839 -13.822
    3    H3   MET   1           H3       MET   1  -8.767  -7.452 -14.729
    4    HA   MET   1           HA       MET   1  -6.940  -7.079 -13.202
    5    HB2  MET   1           HB3      MET   1  -7.802  -5.033 -12.177
    6    HG2  MET   1           HG3      MET   1 -10.525  -6.073 -12.928
    7    HE1  MET   1           HE1      MET   1 -12.119  -4.233 -10.781
    8    HE2  MET   1           HE2      MET   1 -12.657  -2.987 -11.906
    9    HE3  MET   1           HE3      MET   1 -12.652  -4.679 -12.402
   10    H    ALA   2           H        ALA   2  -6.853  -6.149 -10.760
   11    HA   ALA   2           HA       ALA   2  -7.330  -8.496  -9.120
   12    HB1  ALA   2           HB1      ALA   2  -5.918  -5.920  -8.434
   13    HB2  ALA   2           HB2      ALA   2  -5.919  -7.400  -7.474
   14    HB3  ALA   2           HB3      ALA   2  -5.146  -7.378  -9.058
   15    H    SER   3           H        SER   3  -8.659  -8.606  -7.359
   16    HA   SER   3           HA       SER   3 -10.210  -6.219  -6.646
   17    HB2  SER   3           HB3      SER   3 -11.395  -8.948  -7.219
   18    HG   SER   3           HG       SER   3 -10.977  -7.728  -9.097
   19    H    LEU   4           H        LEU   4 -11.175  -6.305  -4.529
   20    HA   LEU   4           HA       LEU   4  -9.472  -7.389  -2.573
   21    HB2  LEU   4           HB3      LEU   4 -11.160  -6.651  -0.951
   22    HG   LEU   4           HG       LEU   4 -12.907  -6.326  -3.360
   23   HD11  LEU   4          HD11      LEU   4 -14.615  -7.042  -1.653
   24   HD12  LEU   4          HD12      LEU   4 -13.386  -8.240  -2.052
   25   HD13  LEU   4          HD13      LEU   4 -13.271  -7.328  -0.549
   26   HD21  LEU   4          HD21      LEU   4 -14.289  -4.739  -2.092
   27   HD22  LEU   4          HD22      LEU   4 -13.043  -4.668  -0.846
   28   HD23  LEU   4          HD23      LEU   4 -12.699  -4.081  -2.474
   29    H    MET   5           H        MET   5 -12.176  -8.729  -4.239
   30    HA   MET   5           HA       MET   5 -13.117 -10.602  -2.408
   31    HB2  MET   5           HB3      MET   5 -14.284 -10.197  -4.478
   32    HG2  MET   5           HG3      MET   5 -13.209 -13.008  -4.448
   33    HE1  MET   5           HE1      MET   5 -16.076 -14.719  -6.488
   34    HE2  MET   5           HE2      MET   5 -14.579 -14.967  -5.589
   35    HE3  MET   5           HE3      MET   5 -16.033 -14.426  -4.749
   36    H    GLU   6           H        GLU   6 -10.382 -10.776  -4.635
   37    HA   GLU   6           HA       GLU   6  -9.740 -13.480  -4.252
   38    HB2  GLU   6           HB3      GLU   6  -7.920 -11.155  -4.889
   39    HG2  GLU   6           HG3      GLU   6  -9.292 -13.103  -6.727
   40    H    VAL   7           H        VAL   7  -8.028 -10.666  -2.862
   41    HA   VAL   7           HA       VAL   7  -6.507 -12.055  -1.006
   42    HB   VAL   7           HB       VAL   7  -6.125  -9.690  -1.497
   43   HG11  VAL   7          HG11      VAL   7  -7.573  -7.962  -0.527
   44   HG12  VAL   7          HG12      VAL   7  -8.434  -8.960  -1.700
   45   HG13  VAL   7          HG13      VAL   7  -8.684  -9.216   0.028
   46   HG21  VAL   7          HG21      VAL   7  -6.749 -10.192   1.413
   47   HG22  VAL   7          HG22      VAL   7  -5.242 -10.588   0.587
   48   HG23  VAL   7          HG23      VAL   7  -5.718  -8.902   0.791
   49    H    ARG   8           H        ARG   8  -9.799 -10.851  -0.785
   50    HA   ARG   8           HA       ARG   8 -10.344 -11.131   1.889
   51    HB2  ARG   8           HB3      ARG   8 -11.978 -10.191   0.422
   52    HG2  ARG   8           HG3      ARG   8 -13.095 -12.821   1.375
   53    HD2  ARG   8           HD3      ARG   8 -14.457 -10.197   0.781
   54    HE   ARG   8           HE       ARG   8 -15.364 -12.417   2.290
   55   HH11  ARG   8          HH12      ARG   8 -16.391 -10.119  -0.117
   56   HH12  ARG   8          HH11      ARG   8 -18.062 -10.201   0.331
   57   HH21  ARG   8          HH21      ARG   8 -17.561 -12.533   2.889
   58   HH22  ARG   8          HH22      ARG   8 -18.726 -11.570   2.044
   59    H    ASP   9           H        ASP   9 -10.928 -13.642  -0.582
   60    HA   ASP   9           HA       ASP   9 -11.505 -15.674   1.301
   61    HB2  ASP   9           HB3      ASP   9 -10.618 -15.922  -1.580
   62    H    MET  10           H        MET  10  -8.544 -14.716  -0.365
   63    HA   MET  10           HA       MET  10  -6.908 -16.861   0.182
   64    HB2  MET  10           HB3      MET  10  -6.269 -13.915   0.115
   65    HG2  MET  10           HG3      MET  10  -5.652 -16.078  -1.881
   66    HE1  MET  10           HE1      MET  10  -2.591 -13.601  -2.029
   67    HE2  MET  10           HE2      MET  10  -3.461 -14.039  -0.559
   68    HE3  MET  10           HE3      MET  10  -3.102 -15.269  -1.771
   69    H    LEU  11           H        LEU  11  -7.302 -13.966   2.233
   70    HA   LEU  11           HA       LEU  11  -5.818 -15.109   4.391
   71    HB2  LEU  11           HB3      LEU  11  -7.544 -12.658   4.142
   72    HG   LEU  11           HG       LEU  11  -4.579 -12.927   4.657
   73   HD11  LEU  11          HD11      LEU  11  -5.123 -13.483   2.361
   74   HD12  LEU  11          HD12      LEU  11  -6.071 -12.004   2.207
   75   HD13  LEU  11          HD13      LEU  11  -4.325 -11.914   2.439
   76   HD21  LEU  11          HD21      LEU  11  -6.347 -10.508   4.329
   77   HD22  LEU  11          HD22      LEU  11  -5.484 -11.001   5.786
   78   HD23  LEU  11          HD23      LEU  11  -4.583 -10.474   4.364
   79    H    ALA  12           H        ALA  12  -9.264 -14.619   3.730
   80    HA   ALA  12           HA       ALA  12 -10.369 -15.374   6.128
   81    HB1  ALA  12           HB1      ALA  12 -11.682 -14.545   4.243
   82    HB2  ALA  12           HB2      ALA  12 -11.405 -16.058   3.382
   83    HB3  ALA  12           HB3      ALA  12 -12.349 -16.052   4.871
   84    H    LEU  13           H        LEU  13  -8.759 -17.357   3.783
   85    HA   LEU  13           HA       LEU  13  -9.496 -19.768   5.307
   86    HB2  LEU  13           HB3      LEU  13  -8.684 -19.391   2.434
   87    HG   LEU  13           HG       LEU  13 -11.024 -20.993   3.433
   88   HD11  LEU  13          HD11      LEU  13 -11.542 -18.868   4.296
   89   HD12  LEU  13          HD12      LEU  13 -10.891 -18.043   2.880
   90   HD13  LEU  13          HD13      LEU  13 -12.390 -18.963   2.754
   91   HD21  LEU  13          HD21      LEU  13 -11.840 -20.586   1.156
   92   HD22  LEU  13          HD22      LEU  13 -10.368 -19.683   0.798
   93   HD23  LEU  13          HD23      LEU  13 -10.279 -21.408   1.157
   94    H    GLN  14           H        GLN  14  -7.279 -17.723   5.742
   95    HA   GLN  14           HA       GLN  14  -5.135 -19.701   6.019
   96    HB2  GLN  14           HB3      GLN  14  -4.882 -16.949   4.815
   97    HG2  GLN  14           HG3      GLN  14  -3.921 -19.641   3.871
   98   HE21  GLN  14          HE22      GLN  14  -2.813 -19.658   1.939
   99   HE22  GLN  14          HE21      GLN  14  -2.081 -18.244   1.269
  100    H    GLY  15           H        GLY  15  -6.221 -16.423   6.890
  101    HA2  GLY  15           HA2      GLY  15  -6.542 -16.403   9.466
  102    HA3  GLY  15           HA3      GLY  15  -4.809 -16.690   9.452
  103    H    ARG  16           H        ARG  16  -3.904 -14.864  10.150
  104    HA   ARG  16           HA       ARG  16  -4.977 -12.282   9.366
  105    HB2  ARG  16           HB3      ARG  16  -2.773 -13.128  11.239
  106    HG2  ARG  16           HG3      ARG  16  -4.104 -12.086  12.955
  107    HD2  ARG  16           HD3      ARG  16  -6.017 -13.560  13.002
  108    HE   ARG  16           HE       ARG  16  -3.455 -14.553  12.521
  109   HH11  ARG  16          HH12      ARG  16  -6.766 -15.611  12.340
  110   HH12  ARG  16          HH11      ARG  16  -6.389 -17.272  12.650
  111   HH21  ARG  16          HH21      ARG  16  -2.944 -16.737  12.931
  112   HH22  ARG  16          HH22      ARG  16  -4.215 -17.913  12.988
  113    H    MET  17           H        MET  17  -4.009 -10.820   8.029
  114    HA   MET  17           HA       MET  17  -1.343 -10.915   7.151
  115    HB2  MET  17           HB3      MET  17  -2.797 -12.918   5.966
  116    HG2  MET  17           HG3      MET  17  -0.516 -11.433   4.678
  117    HE1  MET  17           HE1      MET  17  -2.813 -14.679   4.846
  118    HE2  MET  17           HE2      MET  17  -1.758 -15.824   4.020
  119    HE3  MET  17           HE3      MET  17  -1.269 -15.139   5.568
  120    H    GLU  18           H        GLU  18  -1.124  -9.604   4.991
  121    HA   GLU  18           HA       GLU  18  -3.184  -7.512   4.896
  122    HB2  GLU  18           HB3      GLU  18  -1.472  -5.778   4.846
  123    HG2  GLU  18           HG3      GLU  18   0.482  -8.022   5.279
  124    H    ALA  19           H        ALA  19  -2.995  -6.127   2.938
  125    HA   ALA  19           HA       ALA  19  -2.581  -7.796   0.627
  126    HB1  ALA  19           HB1      ALA  19  -4.505  -6.303   0.745
  127    HB2  ALA  19           HB2      ALA  19  -3.426  -4.910   0.811
  128    HB3  ALA  19           HB3      ALA  19  -3.483  -5.912  -0.639
  129    H    LYS  20           H        LYS  20  -0.790  -5.380   2.318
  130    HA   LYS  20           HA       LYS  20   0.793  -4.218   0.410
  131    HB2  LYS  20           HB3      LYS  20   1.004  -3.562   2.701
  132    HG2  LYS  20           HG3      LYS  20   3.566  -4.857   1.796
  133    HD2  LYS  20           HD3      LYS  20   3.146  -2.765   3.929
  134    HE2  LYS  20           HE3      LYS  20   5.533  -2.978   4.304
  135    HZ1  LYS  20           HZ1      LYS  20   5.047  -2.518   1.413
  136    HZ2  LYS  20           HZ2      LYS  20   6.330  -1.912   2.337
  137    HZ3  LYS  20           HZ3      LYS  20   4.754  -1.369   2.620
  138    H    GLN  21           H        GLN  21   1.472  -7.303   2.065
  139    HA   GLN  21           HA       GLN  21   3.817  -7.961   0.746
  140    HB2  GLN  21           HB3      GLN  21   1.636  -9.811   1.731
  141    HG2  GLN  21           HG3      GLN  21   4.154  -8.844   3.066
  142   HE21  GLN  21          HE22      GLN  21   4.635  -9.744   5.057
  143   HE22  GLN  21          HE21      GLN  21   4.008 -11.274   5.556
  144    H    LEU  22           H        LEU  22   0.491  -8.875  -0.142
  145    HA   LEU  22           HA       LEU  22   1.208 -10.209  -2.527
  146    HB2  LEU  22           HB3      LEU  22  -1.410  -8.897  -1.790
  147    HG   LEU  22           HG       LEU  22  -0.849 -10.648  -0.167
  148   HD11  LEU  22          HD11      LEU  22  -2.959 -11.519  -2.137
  149   HD12  LEU  22          HD12      LEU  22  -2.842 -12.008  -0.446
  150   HD13  LEU  22          HD13      LEU  22  -3.181 -10.327  -0.857
  151   HD21  LEU  22          HD21      LEU  22  -0.636 -12.440  -2.583
  152   HD22  LEU  22          HD22      LEU  22   0.693 -11.945  -1.536
  153   HD23  LEU  22          HD23      LEU  22  -0.597 -12.969  -0.900
  154    H    SER  23           H        SER  23   0.638  -6.864  -1.751
  155    HA   SER  23           HA       SER  23   0.366  -6.001  -4.477
  156    HB2  SER  23           HB3      SER  23  -0.679  -4.732  -2.654
  157    HG   SER  23           HG       SER  23  -0.377  -3.047  -3.847
  158    H    ALA  24           H        ALA  24   2.968  -6.500  -2.239
  159    HA   ALA  24           HA       ALA  24   4.885  -4.940  -3.721
  160    HB1  ALA  24           HB1      ALA  24   5.084  -5.206  -1.294
  161    HB2  ALA  24           HB2      ALA  24   5.322  -6.940  -1.505
  162    HB3  ALA  24           HB3      ALA  24   6.516  -5.804  -2.131
  163    H    ARG  25           H        ARG  25   3.914  -8.304  -3.507
  164    HA   ARG  25           HA       ARG  25   6.098  -9.458  -4.842
  165    HB2  ARG  25           HB3      ARG  25   4.383 -10.729  -3.575
  166    HG2  ARG  25           HG3      ARG  25   4.218 -12.651  -4.981
  167    HD2  ARG  25           HD3      ARG  25   6.493 -12.946  -5.691
  168    HE   ARG  25           HE       ARG  25   6.017 -11.698  -3.169
  169   HH11  ARG  25          HH12      ARG  25   8.506 -12.879  -5.294
  170   HH12  ARG  25          HH11      ARG  25   9.647 -13.154  -4.019
  171   HH21  ARG  25          HH21      ARG  25   7.508 -12.052  -1.482
  172   HH22  ARG  25          HH22      ARG  25   9.078 -12.684  -1.850
  173    H    LEU  26           H        LEU  26   3.409  -7.620  -5.999
  174    HA   LEU  26           HA       LEU  26   4.215  -8.211  -8.771
  175    HB2  LEU  26           HB3      LEU  26   1.513  -7.347  -7.742
  176    HG   LEU  26           HG       LEU  26   1.805  -9.715  -7.321
  177   HD11  LEU  26          HD11      LEU  26  -0.372  -8.969  -8.128
  178   HD12  LEU  26          HD12      LEU  26   0.150  -9.228  -9.793
  179   HD13  LEU  26          HD13      LEU  26  -0.007 -10.599  -8.695
  180   HD21  LEU  26          HD21      LEU  26   3.643 -10.180  -8.821
  181   HD22  LEU  26          HD22      LEU  26   2.299 -11.267  -9.172
  182   HD23  LEU  26          HD23      LEU  26   2.612  -9.884 -10.221
  183    H    GLN  27           H        GLN  27   4.785  -5.984  -6.548
  184    HA   GLN  27           HA       GLN  27   5.401  -3.798  -6.580
  185    HB2  GLN  27           HB3      GLN  27   5.265  -4.171  -9.576
  186    HG2  GLN  27           HG3      GLN  27   7.650  -4.269  -7.746
  187   HE21  GLN  27          HE22      GLN  27   9.604  -4.687  -8.756
  188   HE22  GLN  27          HE21      GLN  27   9.847  -4.416 -10.444
  189    H    THR  28           H        THR  28   2.501  -4.665  -6.773
  190    HA   THR  28           HA       THR  28   1.075  -2.712  -8.235
  191    HB   THR  28           HB       THR  28   0.178  -4.268  -5.801
  192    HG1  THR  28           HG1      THR  28  -0.087  -5.887  -7.142
  193   HG21  THR  28          HG21      THR  28  -1.210  -2.279  -6.337
  194   HG22  THR  28          HG22      THR  28  -2.074  -3.805  -6.531
  195   HG23  THR  28          HG23      THR  28  -1.477  -2.943  -7.949
  196    HA   PRO  29           HA       PRO  29   1.592   1.025  -5.926
  197    HB2  PRO  29           HB3      PRO  29  -1.361   1.268  -6.317
  198    HG2  PRO  29           HG3      PRO  29  -1.208   1.124  -8.636
  199    HD2  PRO  29           HD3      PRO  29  -0.901  -1.094  -8.109
  200    H    GLN  30           H        GLN  30   1.651   1.390  -3.804
  201    HA   GLN  30           HA       GLN  30   0.130  -0.292  -2.019
  202    HB2  GLN  30           HB3      GLN  30   2.208   1.831  -1.474
  203    HG2  GLN  30           HG3      GLN  30   2.434  -1.148  -1.171
  204   HE21  GLN  30          HE22      GLN  30   3.461  -0.872   0.821
  205   HE22  GLN  30          HE21      GLN  30   5.048  -0.201   0.942
  206    HA   PRO  31           HA       PRO  31  -1.304   4.327  -0.743
  207    HB2  PRO  31           HB3      PRO  31  -1.636   5.110  -3.610
  208    HG2  PRO  31           HG3      PRO  31   0.650   5.439  -3.923
  209    HD2  PRO  31           HD3      PRO  31   0.583   3.138  -3.981
  210    H    LEU  32           H        LEU  32  -2.312   2.650  -3.703
  211    HA   LEU  32           HA       LEU  32  -5.078   3.195  -3.423
  212    HB2  LEU  32           HB3      LEU  32  -3.957   2.534  -5.544
  213    HG   LEU  32           HG       LEU  32  -5.681   1.270  -6.511
  214   HD11  LEU  32          HD11      LEU  32  -5.387  -0.629  -4.846
  215   HD12  LEU  32          HD12      LEU  32  -6.554   0.222  -3.838
  216   HD13  LEU  32          HD13      LEU  32  -7.018  -0.335  -5.444
  217   HD21  LEU  32          HD21      LEU  32  -6.462   3.402  -5.623
  218   HD22  LEU  32          HD22      LEU  32  -7.739   2.185  -5.564
  219   HD23  LEU  32          HD23      LEU  32  -6.869   2.624  -4.093
  220    H    ILE  33           H        ILE  33  -3.058   0.429  -2.521
  221    HA   ILE  33           HA       ILE  33  -4.947  -1.378  -1.698
  222    HB   ILE  33           HB       ILE  33  -2.308  -0.790  -0.349
  223   HG12  ILE  33          HG13      ILE  33  -2.113  -1.301  -2.745
  224   HG21  ILE  33          HG21      ILE  33  -4.062  -3.240  -0.211
  225   HG22  ILE  33          HG22      ILE  33  -2.433  -3.110   0.455
  226   HG23  ILE  33          HG23      ILE  33  -3.735  -2.110   1.103
  227   HD11  ILE  33          HD11      ILE  33  -2.710  -3.506  -3.607
  228   HD12  ILE  33          HD12      ILE  33  -3.525  -3.876  -2.086
  229   HD13  ILE  33          HD13      ILE  33  -4.132  -2.584  -3.122
  230    H    ASP  34           H        ASP  34  -3.817   1.486   0.030
  231    HA   ASP  34           HA       ASP  34  -4.779   1.067   2.558
  232    HB2  ASP  34           HB3      ASP  34  -3.573   3.089   1.973
  233    H    ALA  35           H        ALA  35  -6.576   1.928  -0.317
  234    HA   ALA  35           HA       ALA  35  -9.078   2.235   1.093
  235    HB1  ALA  35           HB1      ALA  35 -10.047   2.581  -1.123
  236    HB2  ALA  35           HB2      ALA  35  -8.618   3.587  -0.888
  237    HB3  ALA  35           HB3      ALA  35  -8.515   2.125  -1.869
  238    H    MET  36           H        MET  36  -7.368  -0.245  -0.647
  239    HA   MET  36           HA       MET  36  -9.447  -1.992  -1.268
  240    HB2  MET  36           HB3      MET  36  -7.013  -2.176  -1.949
  241    HG2  MET  36           HG3      MET  36  -6.894  -4.666  -1.817
  242    HE1  MET  36           HE1      MET  36  -8.120  -3.146  -5.220
  243    HE2  MET  36           HE2      MET  36  -7.405  -2.279  -3.861
  244    HE3  MET  36           HE3      MET  36  -6.754  -3.844  -4.349
  245    H    LEU  37           H        LEU  37  -7.444  -1.822   1.663
  246    HA   LEU  37           HA       LEU  37  -8.986  -3.841   3.009
  247    HB2  LEU  37           HB3      LEU  37  -6.837  -1.953   3.969
  248    HG   LEU  37           HG       LEU  37  -5.480  -4.009   4.237
  249   HD11  LEU  37          HD11      LEU  37  -6.161  -6.061   3.152
  250   HD12  LEU  37          HD12      LEU  37  -7.351  -5.598   4.368
  251   HD13  LEU  37          HD13      LEU  37  -7.685  -5.323   2.658
  252   HD21  LEU  37          HD21      LEU  37  -5.339  -2.526   2.240
  253   HD22  LEU  37          HD22      LEU  37  -4.850  -4.194   1.943
  254   HD23  LEU  37          HD23      LEU  37  -6.432  -3.631   1.408
  255    H    GLU  38           H        GLU  38  -8.599  -0.320   3.288
  256    HA   GLU  38           HA       GLU  38 -10.309   0.132   5.428
  257    HB2  GLU  38           HB3      GLU  38  -8.885   1.877   4.485
  258    HG2  GLU  38           HG3      GLU  38 -11.772   2.676   4.205
  259    H    ARG  39           H        ARG  39 -11.048  -0.064   1.967
  260    HA   ARG  39           HA       ARG  39 -13.816   0.456   2.226
  261    HB2  ARG  39           HB3      ARG  39 -12.741   0.737   0.088
  262    HG2  ARG  39           HG3      ARG  39 -14.563  -1.653  -0.102
  263    HD2  ARG  39           HD3      ARG  39 -13.937   0.494  -2.124
  264    HE   ARG  39           HE       ARG  39 -16.025  -1.405  -2.058
  265   HH11  ARG  39          HH12      ARG  39 -13.650  -0.032  -4.201
  266   HH12  ARG  39          HH11      ARG  39 -14.588  -0.316  -5.632
  267   HH21  ARG  39          HH21      ARG  39 -17.266  -1.788  -3.932
  268   HH22  ARG  39          HH22      ARG  39 -16.642  -1.316  -5.478
  269    H    MET  40           H        MET  40 -11.977  -2.573   1.911
  270    HA   MET  40           HA       MET  40 -14.104  -4.355   1.961
  271    HB2  MET  40           HB3      MET  40 -11.783  -5.019   1.499
  272    HG2  MET  40           HG3      MET  40 -13.037  -6.452   3.824
  273    HE1  MET  40           HE1      MET  40 -11.032  -7.767   0.649
  274    HE2  MET  40           HE2      MET  40 -10.195  -6.306   1.176
  275    HE3  MET  40           HE3      MET  40  -9.416  -7.878   1.347
  276    H    GLU  41           H        GLU  41 -12.224  -3.061   4.688
  277    HA   GLU  41           HA       GLU  41 -13.847  -4.332   6.670
  278    HB2  GLU  41           HB3      GLU  41 -11.934  -2.019   7.002
  279    HG2  GLU  41           HG3      GLU  41 -10.983  -4.143   5.949
  280    H    ALA  42           H        ALA  42 -14.145  -1.461   4.815
  281    HA   ALA  42           HA       ALA  42 -15.427   0.317   6.475
  282    HB1  ALA  42           HB1      ALA  42 -16.480   1.239   4.502
  283    HB2  ALA  42           HB2      ALA  42 -14.821   0.767   4.128
  284    HB3  ALA  42           HB3      ALA  42 -16.166  -0.247   3.606
  285    H    MET  43           H        MET  43 -16.600  -2.698   5.226
  286    HA   MET  43           HA       MET  43 -19.361  -2.155   5.872
  287    HB2  MET  43           HB3      MET  43 -17.917  -4.653   4.979
  288    HG2  MET  43           HG3      MET  43 -18.270  -2.939   3.248
  289    HE1  MET  43           HE1      MET  43 -21.599  -1.788   1.459
  290    HE2  MET  43           HE2      MET  43 -19.839  -1.689   1.415
  291    HE3  MET  43           HE3      MET  43 -20.642  -3.239   1.160
  292    H    GLY  44           H        GLY  44 -16.578  -3.448   7.451
  293    HA2  GLY  44           HA2      GLY  44 -16.573  -3.530   9.867
  294    HA3  GLY  44           HA3      GLY  44 -18.254  -4.051   9.800
  295    H    LYS  45           H        LYS  45 -15.405  -5.216   8.013
  296    HA   LYS  45           HA       LYS  45 -16.072  -7.896   8.108
  297    HB2  LYS  45           HB3      LYS  45 -13.337  -6.621   7.989
  298    HG2  LYS  45           HG3      LYS  45 -14.786  -6.059   6.094
  299    HD2  LYS  45           HD3      LYS  45 -14.866  -9.040   5.631
  300    HE2  LYS  45           HE3      LYS  45 -16.077  -6.751   4.085
  301    HZ1  LYS  45           HZ1      LYS  45 -17.475  -8.734   4.101
  302    HZ2  LYS  45           HZ2      LYS  45 -16.177  -9.669   3.552
  303    HZ3  LYS  45           HZ3      LYS  45 -16.822  -8.455   2.566
  304    H    VAL  46           H        VAL  46 -13.224  -6.797   9.912
  305    HA   VAL  46           HA       VAL  46 -14.255  -7.808  12.407
  306    HB   VAL  46           HB       VAL  46 -11.833  -9.181  11.233
  307   HG11  VAL  46          HG11      VAL  46 -12.325 -10.770  13.147
  308   HG12  VAL  46          HG12      VAL  46 -11.672  -9.191  13.581
  309   HG13  VAL  46          HG13      VAL  46 -13.394  -9.518  13.778
  310   HG21  VAL  46          HG21      VAL  46 -13.286 -11.176  11.062
  311   HG22  VAL  46          HG22      VAL  46 -14.675 -10.163  11.460
  312   HG23  VAL  46          HG23      VAL  46 -13.767  -9.875   9.974
  313    H    VAL  47           H        VAL  47 -10.931  -7.492  11.127
  314    HA   VAL  47           HA       VAL  47 -10.556  -5.028  12.627
  315    HB   VAL  47           HB       VAL  47  -8.873  -7.478  13.193
  316   HG11  VAL  47          HG11      VAL  47  -7.686  -6.040  14.795
  317   HG12  VAL  47          HG12      VAL  47  -7.506  -5.470  13.135
  318   HG13  VAL  47          HG13      VAL  47  -8.622  -4.656  14.230
  319   HG21  VAL  47          HG21      VAL  47  -9.709  -7.245  15.488
  320   HG22  VAL  47          HG22      VAL  47 -10.743  -5.913  14.971
  321   HG23  VAL  47          HG23      VAL  47 -11.018  -7.536  14.343
  322    H    ARG  48           H        ARG  48  -8.735  -3.833  11.971
  323    HA   ARG  48           HA       ARG  48  -6.946  -4.876   9.973
  324    HB2  ARG  48           HB3      ARG  48  -7.568  -3.442   8.162
  325    HG2  ARG  48           HG3      ARG  48  -8.307  -1.486   9.511
  326    HD2  ARG  48           HD3      ARG  48 -10.772  -3.184   9.826
  327    HE   ARG  48           HE       ARG  48 -10.754  -0.407   9.469
  328   HH11  ARG  48          HH12      ARG  48 -11.950  -2.796  11.704
  329   HH12  ARG  48          HH11      ARG  48 -13.314  -1.845  12.192
  330   HH21  ARG  48          HH21      ARG  48 -12.547   0.852  10.102
  331   HH22  ARG  48          HH22      ARG  48 -13.654   0.230  11.279
  332    H    ILE  49           H        ILE  49  -5.065  -3.730   9.856
  333    HA   ILE  49           HA       ILE  49  -4.921  -1.280  11.493
  334    HB   ILE  49           HB       ILE  49  -2.703  -3.284  11.068
  335   HG12  ILE  49          HG13      ILE  49  -4.479  -4.269  12.423
  336   HG21  ILE  49          HG21      ILE  49  -1.560  -2.039  12.830
  337   HG22  ILE  49          HG22      ILE  49  -1.936  -0.998  11.458
  338   HG23  ILE  49          HG23      ILE  49  -2.915  -0.914  12.923
  339   HD11  ILE  49          HD11      ILE  49  -5.194  -3.332  14.521
  340   HD12  ILE  49          HD12      ILE  49  -4.181  -1.911  14.265
  341   HD13  ILE  49          HD13      ILE  49  -5.562  -2.212  13.210
  342    H    SER  50           H        SER  50  -4.240   0.506  10.502
  343    HA   SER  50           HA       SER  50  -3.213   0.282   7.773
  344    HB2  SER  50           HB3      SER  50  -3.716   2.683   7.599
  345    HG   SER  50           HG       SER  50  -3.854   3.802   9.358
  346    H    GLU  51           H        GLU  51  -1.102   0.403   7.402
  347    HA   GLU  51           HA       GLU  51   0.547   2.088   9.156
  348    HB2  GLU  51           HB3      GLU  51   0.846  -0.227   9.878
  349    HG2  GLU  51           HG3      GLU  51   3.233  -0.502   9.616
  350    H    THR  52           H        THR  52   2.274   3.115   8.187
  351    HA   THR  52           HA       THR  52   2.274   3.049   5.249
  352    HB   THR  52           HB       THR  52   3.272   5.269   5.321
  353    HG1  THR  52           HG1      THR  52   3.400   4.707   8.082
  354   HG21  THR  52          HG21      THR  52   1.405   6.509   6.328
  355   HG22  THR  52          HG22      THR  52   0.881   5.039   7.150
  356   HG23  THR  52          HG23      THR  52   0.837   5.127   5.390
  357    H    SER  53           H        SER  53   4.033   2.418   4.147
  358    HA   SER  53           HA       SER  53   6.267   1.329   5.595
  359    HB2  SER  53           HB3      SER  53   5.396   0.195   3.595
  360    HG   SER  53           HG       SER  53   7.931   1.151   2.847
  361    H    GLU  54           H        GLU  54   7.446   2.933   6.539
  362    HA   GLU  54           HA       GLU  54   8.742   4.840   4.707
  363    HB2  GLU  54           HB3      GLU  54   7.917   5.360   7.570
  364    HG2  GLU  54           HG3      GLU  54   6.000   5.430   6.046
  365    H    GLY  55           H        GLY  55   9.141   3.895   8.125
  366    HA2  GLY  55           HA2      GLY  55  10.949   2.496   8.876
  367    HA3  GLY  55           HA3      GLY  55  11.875   3.011   7.473
  368    H    CYS  56           H        CYS  56  11.673   5.716   7.554
  369    HA   CYS  56           HA       CYS  56  13.127   6.344  10.026
  370    HB2  CYS  56           HB3      CYS  56  14.359   6.722   7.943
  371    HG   CYS  56           HG       CYS  56  13.550   9.818   9.134
  372    H    LEU  57           H        LEU  57  10.941   8.022   7.753
  373    HA   LEU  57           HA       LEU  57  10.213  10.117   9.409
  374    HB2  LEU  57           HB3      LEU  57   9.680   9.795   6.953
  375    HG   LEU  57           HG       LEU  57   7.593  11.029   6.908
  376   HD11  LEU  57          HD11      LEU  57   6.199  11.363   8.782
  377   HD12  LEU  57          HD12      LEU  57   6.503   9.628   8.700
  378   HD13  LEU  57          HD13      LEU  57   7.366  10.621   9.877
  379   HD21  LEU  57          HD21      LEU  57   8.218  12.923   8.308
  380   HD22  LEU  57          HD22      LEU  57   9.340  11.900   9.206
  381   HD23  LEU  57          HD23      LEU  57   9.629  12.240   7.501
  382    H    SER  58           H        SER  58   8.152   7.276   8.764
  383    HA   SER  58           HA       SER  58   6.803   7.713  11.314
  384    HB2  SER  58           HB3      SER  58   5.391   7.351   9.358
  385    HG   SER  58           HG       SER  58   4.684   6.455  11.364
  386    H    GLY  59           H        GLY  59   9.589   6.549  10.977
  387    HA2  GLY  59           HA2      GLY  59   9.640   3.818  11.505
  388    HA3  GLY  59           HA3      GLY  59  10.854   4.963  12.052
  389    H    SER  60           H        SER  60   9.184   6.519  13.735
  390    HA   SER  60           HA       SER  60   8.740   4.585  15.906
  391    HB2  SER  60           HB3      SER  60   9.364   7.543  16.069
  392    HG   SER  60           HG       SER  60  11.363   6.932  16.134
  393    H    CYS  61           H        CYS  61   7.552   7.826  14.999
  394    HA   CYS  61           HA       CYS  61   4.930   7.121  16.077
  395    HB2  CYS  61           HB3      CYS  61   4.423   9.511  15.894
  396    HG   CYS  61           HG       CYS  61   6.043   9.946  13.457
  397    H    LYS  62           H        LYS  62   3.178   8.564  14.674
  398    HA   LYS  62           HA       LYS  62   3.526   7.944  11.842
  399    HB2  LYS  62           HB3      LYS  62   2.455   5.959  12.775
  400    HG2  LYS  62           HG3      LYS  62   0.386   7.587  11.317
  401    HD2  LYS  62           HD3      LYS  62  -0.391   5.423  10.508
  402    HE2  LYS  62           HE3      LYS  62  -0.160   5.477  13.514
  403    HZ1  LYS  62           HZ1      LYS  62  -2.185   4.184  11.767
  404    HZ2  LYS  62           HZ2      LYS  62  -2.217   4.228  13.458
  405    HZ3  LYS  62           HZ3      LYS  62  -0.999   3.372  12.656
  406    H    SER  63           H        SER  63   3.362   9.954  11.061
  407    HA   SER  63           HA       SER  63   0.875  11.248  10.904
  408    HB2  SER  63           HB3      SER  63   1.317  13.269  12.224
  409    HG   SER  63           HG       SER  63   3.344  13.593  12.674
  410    H    CYS  64           H        CYS  64   0.892  12.466   9.116
  411    HA   CYS  64           HA       CYS  64   3.434  13.632   8.225
  412    HB2  CYS  64           HB3      CYS  64   2.986  12.912   5.919
  413    HG   CYS  64           HG       CYS  64   0.111  12.789   6.042
  414    HA   PRO  65           HA       PRO  65   0.906  17.221   7.635
  415    HB2  PRO  65           HB3      PRO  65   2.528  18.622   5.966
  416    HG2  PRO  65           HG3      PRO  65   4.025  16.939   5.397
  417    HD2  PRO  65           HD3      PRO  65   4.185  14.986   6.610
  418    H    GLU  66           H        GLU  66   2.398  15.795   4.731
  419    HA   GLU  66           HA       GLU  66  -0.070  15.519   3.384
  420    HB2  GLU  66           HB3      GLU  66   0.055  17.201   1.712
  421    HG2  GLU  66           HG3      GLU  66   2.403  17.329   1.254
  422    H    GLY  67           H        GLY  67   0.830  15.697   0.724
  423    HA2  GLY  67           HA2      GLY  67   2.985  14.881  -0.369
  424    HA3  GLY  67           HA3      GLY  67   2.804  13.511   0.716
  425    H    LYS  68           H        LYS  68   2.043  14.788  -2.314
  426    HA   LYS  68           HA       LYS  68  -0.397  13.665  -2.964
  427    HB2  LYS  68           HB3      LYS  68   0.737  15.158  -4.482
  428    HG2  LYS  68           HG3      LYS  68   0.587  12.461  -5.811
  429    HD2  LYS  68           HD3      LYS  68   0.068  13.741  -7.816
  430    HE2  LYS  68           HE3      LYS  68   2.588  14.708  -6.470
  431    HZ1  LYS  68           HZ1      LYS  68   2.070  15.969  -8.465
  432    HZ2  LYS  68           HZ2      LYS  68   1.902  14.538  -9.355
  433    HZ3  LYS  68           HZ3      LYS  68   3.411  14.970  -8.722
  434    H    ALA  69           H        ALA  69  -1.068  11.651  -2.744
  435    HA   ALA  69           HA       ALA  69  -1.071   9.377  -2.547
  436    HB1  ALA  69           HB1      ALA  69   0.709   9.623  -4.969
  437    HB2  ALA  69           HB2      ALA  69  -0.188   8.184  -4.483
  438    HB3  ALA  69           HB3      ALA  69  -1.055   9.639  -4.975
  439    H    ALA  70           H        ALA  70   0.006   9.153  -0.573
  440    HA   ALA  70           HA       ALA  70   2.892   8.654  -0.668
  441    HB1  ALA  70           HB1      ALA  70   2.704   8.714   1.825
  442    HB2  ALA  70           HB2      ALA  70   2.238  10.214   1.021
  443    HB3  ALA  70           HB3      ALA  70   0.997   9.117   1.627
  444    H    CYS  71           H        CYS  71   3.761   6.676  -0.300
  445    HA   CYS  71           HA       CYS  71   2.335   4.353  -0.716
  446    HB2  CYS  71           HB3      CYS  71   4.293   3.153   0.184
  447    HG   CYS  71           HG       CYS  71   6.228   5.776   0.753
  448    H    ARG  72           H        ARG  72   0.593   3.798   0.449
  449    HA   ARG  72           HA       ARG  72   0.974   3.327   3.313
  450    HB2  ARG  72           HB3      ARG  72  -1.273   4.268   3.791
  451    HG2  ARG  72           HG3      ARG  72  -1.132   5.616   1.115
  452    HD2  ARG  72           HD3      ARG  72  -3.463   6.141   1.593
  453    HE   ARG  72           HE       ARG  72  -1.370   7.256   3.043
  454   HH11  ARG  72          HH12      ARG  72  -4.825   6.907   3.304
  455   HH12  ARG  72          HH11      ARG  72  -5.035   8.370   4.207
  456   HH21  ARG  72          HH21      ARG  72  -1.637   9.186   4.234
  457   HH22  ARG  72          HH22      ARG  72  -3.224   9.665   4.733
  458    H    GLN  73           H        GLN  73   0.285   1.383   3.906
  459    HA   GLN  73           HA       GLN  73  -1.838   0.073   2.354
  460    HB2  GLN  73           HB3      GLN  73  -0.521  -2.078   2.592
  461    HG2  GLN  73           HG3      GLN  73   1.926  -1.850   2.716
  462   HE21  GLN  73          HE22      GLN  73  -0.272  -2.828   4.300
  463   HE22  GLN  73          HE21      GLN  73   0.208  -2.710   5.951
  464    H    GLU  74           H        GLU  74  -3.149  -1.338   3.501
  465    HA   GLU  74           HA       GLU  74  -2.902  -1.090   6.424
  466    HB2  GLU  74           HB3      GLU  74  -5.385  -2.225   5.295
  467    HG2  GLU  74           HG3      GLU  74  -5.008  -0.493   3.650
  468    H    TRP  75           H        TRP  75  -4.112  -3.031   7.543
  469    HA   TRP  75           HA       TRP  75  -3.106  -5.536   6.375
  470    HB2  TRP  75           HB3      TRP  75  -1.633  -4.813   8.211
  471    HD1  TRP  75           HD1      TRP  75  -4.415  -7.332   9.251
  472    HE1  TRP  75           HE1      TRP  75  -3.283  -9.597   9.713
  473    HE3  TRP  75           HE3      TRP  75   0.427  -6.038   8.253
  474    HZ2  TRP  75           HZ2      TRP  75  -0.681 -10.691   9.660
  475    HZ3  TRP  75           HZ3      TRP  75   2.178  -7.752   8.483
  476    HH2  TRP  75           HH2      TRP  75   1.634 -10.030   9.173
  477    H    TRP  76           H        TRP  76  -4.433  -7.308   6.542
  478    HA   TRP  76           HA       TRP  76  -7.106  -6.788   7.655
  479    HB2  TRP  76           HB3      TRP  76  -6.924  -7.310   5.203
  480    HD1  TRP  76           HD1      TRP  76  -9.509  -6.843   5.441
  481    HE1  TRP  76           HE1      TRP  76 -11.537  -8.371   5.861
  482    HE3  TRP  76           HE3      TRP  76  -7.048 -11.066   6.946
  483    HZ2  TRP  76           HZ2      TRP  76 -12.029 -11.014   6.717
  484    HZ3  TRP  76           HZ3      TRP  76  -8.374 -13.051   7.548
  485    HH2  TRP  76           HH2      TRP  76 -10.812 -13.022   7.436
  486    H    ALA  77           H        ALA  77  -7.491  -7.696   9.557
  487    HA   ALA  77           HA       ALA  77  -6.628 -10.446  10.025
  488    HB1  ALA  77           HB1      ALA  77  -5.843  -9.795  12.331
  489    HB2  ALA  77           HB2      ALA  77  -4.811  -9.279  10.997
  490    HB3  ALA  77           HB3      ALA  77  -5.883  -8.120  11.781
  491    H    LEU  78           H        LEU  78  -7.679 -11.432  11.884
  492    HA   LEU  78           HA       LEU  78 -10.391 -10.387  12.218
  493    HB2  LEU  78           HB3      LEU  78  -9.263 -13.110  12.878
  494    HG   LEU  78           HG       LEU  78 -10.928 -12.233  10.523
  495   HD11  LEU  78          HD11      LEU  78  -8.685 -11.949   9.959
  496   HD12  LEU  78          HD12      LEU  78  -8.181 -13.378  10.863
  497   HD13  LEU  78          HD13      LEU  78  -9.071 -13.557   9.351
  498   HD21  LEU  78          HD21      LEU  78 -11.915 -14.238  11.409
  499   HD22  LEU  78          HD22      LEU  78 -10.998 -14.648   9.958
  500   HD23  LEU  78          HD23      LEU  78 -10.331 -15.001  11.553
  501    H    ARG  79           H        ARG  79 -11.207 -11.501  14.543
  502    HA   ARG  79           HA       ARG  79 -10.170  -9.739  16.486
  503    HB2  ARG  79           HB3      ARG  79 -11.839 -12.219  16.936
  504    HG2  ARG  79           HG3      ARG  79 -12.987 -10.797  15.356
  505    HD2  ARG  79           HD3      ARG  79 -11.826  -8.695  15.848
  506    HE   ARG  79           HE       ARG  79 -12.568  -9.060  18.478
  507   HH11  ARG  79          HH12      ARG  79 -12.793  -6.534  16.093
  508   HH12  ARG  79          HH11      ARG  79 -12.733  -5.251  17.255
  509   HH21  ARG  79          HH21      ARG  79 -12.491  -7.380  20.017
  510   HH22  ARG  79          HH22      ARG  79 -12.565  -5.733  19.488
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  -8.936  -4.180 -13.874
    2    H2   MET   1           H2       MET   1  -9.255  -4.353 -12.220
    3    H3   MET   1           H3       MET   1  -9.128  -5.722 -13.206
    4    HA   MET   1           HA       MET   1  -6.812  -5.284 -13.610
    5    HB2  MET   1           HB3      MET   1  -6.890  -2.851 -13.469
    6    HG2  MET   1           HG3      MET   1  -5.096  -3.946 -11.315
    7    HE1  MET   1           HE1      MET   1  -4.402  -1.578 -14.362
    8    HE2  MET   1           HE2      MET   1  -5.992  -1.041 -13.823
    9    HE3  MET   1           HE3      MET   1  -4.593   0.016 -13.629
   10    H    ALA   2           H        ALA   2  -8.015  -4.387 -10.370
   11    HA   ALA   2           HA       ALA   2  -7.464  -6.992  -9.310
   12    HB1  ALA   2           HB1      ALA   2  -5.722  -6.335  -7.733
   13    HB2  ALA   2           HB2      ALA   2  -5.186  -6.108  -9.398
   14    HB3  ALA   2           HB3      ALA   2  -5.686  -4.718  -8.436
   15    H    SER   3           H        SER   3  -9.282  -7.202  -8.176
   16    HA   SER   3           HA       SER   3 -10.266  -4.935  -6.602
   17    HB2  SER   3           HB3      SER   3 -11.893  -5.979  -8.097
   18    HG   SER   3           HG       SER   3 -12.707  -5.243  -6.108
   19    H    LEU   4           H        LEU   4 -11.484  -5.783  -4.521
   20    HA   LEU   4           HA       LEU   4  -9.439  -6.806  -2.808
   21    HB2  LEU   4           HB3      LEU   4 -11.127  -6.568  -1.025
   22    HG   LEU   4           HG       LEU   4 -12.986  -5.875  -3.286
   23   HD11  LEU   4          HD11      LEU   4 -13.055  -7.748  -0.947
   24   HD12  LEU   4          HD12      LEU   4 -14.523  -7.256  -1.795
   25   HD13  LEU   4          HD13      LEU   4 -13.249  -8.112  -2.660
   26   HD21  LEU   4          HD21      LEU   4 -14.500  -4.934  -1.584
   27   HD22  LEU   4          HD22      LEU   4 -13.207  -5.065  -0.391
   28   HD23  LEU   4          HD23      LEU   4 -13.023  -3.989  -1.776
   29    H    MET   5           H        MET   5 -11.817  -8.300  -4.716
   30    HA   MET   5           HA       MET   5 -12.712 -10.438  -3.250
   31    HB2  MET   5           HB3      MET   5 -13.449 -10.009  -5.529
   32    HG2  MET   5           HG3      MET   5 -12.138 -12.711  -5.344
   33    HE1  MET   5           HE1      MET   5 -15.743 -11.522  -6.326
   34    HE2  MET   5           HE2      MET   5 -14.720 -10.313  -7.104
   35    HE3  MET   5           HE3      MET   5 -15.632 -11.460  -8.085
   36    H    GLU   6           H        GLU   6  -9.675 -10.280  -5.110
   37    HA   GLU   6           HA       GLU   6  -8.722 -12.823  -4.606
   38    HB2  GLU   6           HB3      GLU   6  -7.620 -11.274  -6.139
   39    HG2  GLU   6           HG3      GLU   6  -5.290 -11.602  -5.571
   40    H    VAL   7           H        VAL   7  -7.716  -9.913  -2.793
   41    HA   VAL   7           HA       VAL   7  -6.428 -11.239  -0.723
   42    HB   VAL   7           HB       VAL   7  -6.766  -9.205   0.628
   43   HG11  VAL   7          HG11      VAL   7  -6.073  -8.655  -2.255
   44   HG12  VAL   7          HG12      VAL   7  -5.650  -7.631  -0.885
   45   HG13  VAL   7          HG13      VAL   7  -4.973  -9.254  -1.015
   46   HG21  VAL   7          HG21      VAL   7  -8.509  -8.271  -1.650
   47   HG22  VAL   7          HG22      VAL   7  -9.084  -8.742  -0.050
   48   HG23  VAL   7          HG23      VAL   7  -8.044  -7.328  -0.235
   49    H    ARG   8           H        ARG   8  -9.804 -10.680  -1.298
   50    HA   ARG   8           HA       ARG   8 -10.900 -11.049   1.220
   51    HB2  ARG   8           HB3      ARG   8 -11.978 -10.564  -1.136
   52    HG2  ARG   8           HG3      ARG   8 -13.467 -12.223   0.895
   53    HD2  ARG   8           HD3      ARG   8 -14.445 -10.223  -1.140
   54    HE   ARG   8           HE       ARG   8 -15.759 -11.311   1.163
   55   HH11  ARG   8          HH12      ARG   8 -16.203 -10.171  -2.097
   56   HH12  ARG   8          HH11      ARG   8 -17.871  -9.761  -1.864
   57   HH21  ARG   8          HH21      ARG   8 -17.959 -10.777   1.476
   58   HH22  ARG   8          HH22      ARG   8 -18.867 -10.106   0.163
   59    H    ASP   9           H        ASP   9 -10.346 -13.526  -1.281
   60    HA   ASP   9           HA       ASP   9 -11.015 -15.731   0.321
   61    HB2  ASP   9           HB3      ASP   9 -10.865 -15.798  -2.154
   62    H    MET  10           H        MET  10  -7.950 -14.074  -0.247
   63    HA   MET  10           HA       MET  10  -6.156 -15.818   0.887
   64    HB2  MET  10           HB3      MET  10  -6.163 -12.815   1.243
   65    HG2  MET  10           HG3      MET  10  -6.281 -13.282  -1.102
   66    HE1  MET  10           HE1      MET  10  -2.632 -14.543  -0.346
   67    HE2  MET  10           HE2      MET  10  -3.633 -15.505   0.742
   68    HE3  MET  10           HE3      MET  10  -2.806 -16.278  -0.613
   69    H    LEU  11           H        LEU  11  -7.844 -13.207   2.633
   70    HA   LEU  11           HA       LEU  11  -6.980 -13.975   5.194
   71    HB2  LEU  11           HB3      LEU  11  -9.274 -12.317   4.198
   72    HG   LEU  11           HG       LEU  11  -8.167 -10.452   5.190
   73   HD11  LEU  11          HD11      LEU  11  -6.362 -12.515   6.418
   74   HD12  LEU  11          HD12      LEU  11  -5.918 -10.812   6.306
   75   HD13  LEU  11          HD13      LEU  11  -7.343 -11.292   7.225
   76   HD21  LEU  11          HD21      LEU  11  -6.192 -12.187   3.713
   77   HD22  LEU  11          HD22      LEU  11  -7.330 -11.042   3.006
   78   HD23  LEU  11          HD23      LEU  11  -6.000 -10.457   4.004
   79    H    ALA  12           H        ALA  12  -9.822 -14.866   3.306
   80    HA   ALA  12           HA       ALA  12 -11.366 -16.117   5.207
   81    HB1  ALA  12           HB1      ALA  12 -10.934 -17.042   2.371
   82    HB2  ALA  12           HB2      ALA  12 -12.303 -17.454   3.404
   83    HB3  ALA  12           HB3      ALA  12 -12.062 -15.786   2.881
   84    H    LEU  13           H        LEU  13  -8.560 -17.390   3.492
   85    HA   LEU  13           HA       LEU  13  -8.652 -20.047   4.187
   86    HB2  LEU  13           HB3      LEU  13  -6.218 -18.267   4.064
   87    HG   LEU  13           HG       LEU  13  -7.782 -18.563   1.961
   88   HD11  LEU  13          HD11      LEU  13  -4.794 -18.939   1.883
   89   HD12  LEU  13          HD12      LEU  13  -5.801 -18.421   0.530
   90   HD13  LEU  13          HD13      LEU  13  -5.652 -17.401   1.962
   91   HD21  LEU  13          HD21      LEU  13  -7.912 -20.995   2.105
   92   HD22  LEU  13          HD22      LEU  13  -7.131 -20.490   0.605
   93   HD23  LEU  13          HD23      LEU  13  -6.160 -21.105   1.942
   94    H    GLN  14           H        GLN  14  -6.910 -17.520   6.020
   95    HA   GLN  14           HA       GLN  14  -7.182 -19.218   8.414
   96    HB2  GLN  14           HB3      GLN  14  -5.060 -17.168   7.755
   97    HG2  GLN  14           HG3      GLN  14  -4.812 -20.145   8.123
   98   HE21  GLN  14          HE22      GLN  14  -3.096 -19.954   9.562
   99   HE22  GLN  14          HE21      GLN  14  -1.550 -19.355   9.075
  100    H    GLY  15           H        GLY  15  -6.414 -15.776   7.931
  101    HA2  GLY  15           HA2      GLY  15  -8.692 -14.496   8.554
  102    HA3  GLY  15           HA3      GLY  15  -8.175 -15.080  10.127
  103    H    ARG  16           H        ARG  16  -5.361 -14.783   9.698
  104    HA   ARG  16           HA       ARG  16  -5.201 -11.854   9.842
  105    HB2  ARG  16           HB3      ARG  16  -3.479 -14.024  11.027
  106    HG2  ARG  16           HG3      ARG  16  -3.942 -12.798  13.139
  107    HD2  ARG  16           HD3      ARG  16  -6.430 -13.739  11.722
  108    HE   ARG  16           HE       ARG  16  -6.083 -12.945  14.377
  109   HH11  ARG  16          HH12      ARG  16  -7.318 -15.652  12.568
  110   HH12  ARG  16          HH11      ARG  16  -8.459 -16.114  13.786
  111   HH21  ARG  16          HH21      ARG  16  -7.583 -13.544  15.990
  112   HH22  ARG  16          HH22      ARG  16  -8.609 -14.914  15.732
  113    H    MET  17           H        MET  17  -4.732 -11.090   7.875
  114    HA   MET  17           HA       MET  17  -2.155 -11.734   6.742
  115    HB2  MET  17           HB3      MET  17  -4.728 -12.432   5.364
  116    HG2  MET  17           HG3      MET  17  -2.049 -13.800   5.454
  117    HE1  MET  17           HE1      MET  17  -2.933 -16.679   5.463
  118    HE2  MET  17           HE2      MET  17  -3.113 -17.154   3.773
  119    HE3  MET  17           HE3      MET  17  -1.724 -16.190   4.277
  120    H    GLU  18           H        GLU  18  -1.857 -10.372   4.646
  121    HA   GLU  18           HA       GLU  18  -3.370  -7.891   4.664
  122    HB2  GLU  18           HB3      GLU  18  -1.137  -6.610   4.744
  123    HG2  GLU  18           HG3      GLU  18   0.643  -7.561   6.003
  124    H    ALA  19           H        ALA  19  -2.912  -6.527   2.827
  125    HA   ALA  19           HA       ALA  19  -2.274  -8.084   0.478
  126    HB1  ALA  19           HB1      ALA  19  -3.135  -5.205   0.735
  127    HB2  ALA  19           HB2      ALA  19  -3.023  -6.121  -0.768
  128    HB3  ALA  19           HB3      ALA  19  -4.197  -6.587   0.463
  129    H    LYS  20           H        LYS  20  -0.544  -6.054   2.586
  130    HA   LYS  20           HA       LYS  20   1.172  -4.602   1.042
  131    HB2  LYS  20           HB3      LYS  20   1.263  -4.483   3.441
  132    HG2  LYS  20           HG3      LYS  20   3.891  -5.655   2.560
  133    HD2  LYS  20           HD3      LYS  20   3.148  -3.692   4.727
  134    HE2  LYS  20           HE3      LYS  20   5.854  -4.721   3.884
  135    HZ1  LYS  20           HZ1      LYS  20   5.686  -4.408   6.273
  136    HZ2  LYS  20           HZ2      LYS  20   5.107  -2.834   6.052
  137    HZ3  LYS  20           HZ3      LYS  20   6.684  -3.227   5.587
  138    H    GLN  21           H        GLN  21   1.749  -7.972   2.068
  139    HA   GLN  21           HA       GLN  21   4.093  -8.374   0.615
  140    HB2  GLN  21           HB3      GLN  21   1.962 -10.397   1.330
  141    HG2  GLN  21           HG3      GLN  21   2.838  -9.259   3.308
  142   HE21  GLN  21          HE22      GLN  21   4.380  -7.654   3.007
  143   HE22  GLN  21          HE21      GLN  21   6.075  -7.975   3.105
  144    H    LEU  22           H        LEU  22   0.746  -9.199  -0.283
  145    HA   LEU  22           HA       LEU  22   1.305 -10.212  -2.827
  146    HB2  LEU  22           HB3      LEU  22  -1.154  -8.906  -1.683
  147    HG   LEU  22           HG       LEU  22  -0.627 -11.781  -2.444
  148   HD11  LEU  22          HD11      LEU  22  -0.955 -10.470   0.250
  149   HD12  LEU  22          HD12      LEU  22  -0.874 -12.208  -0.037
  150   HD13  LEU  22          HD13      LEU  22   0.520 -11.191  -0.398
  151   HD21  LEU  22          HD21      LEU  22  -3.063 -10.496  -1.214
  152   HD22  LEU  22          HD22      LEU  22  -2.936 -11.091  -2.870
  153   HD23  LEU  22          HD23      LEU  22  -2.836 -12.217  -1.518
  154    H    SER  23           H        SER  23   0.973  -6.936  -1.680
  155    HA   SER  23           HA       SER  23   0.720  -5.729  -4.256
  156    HB2  SER  23           HB3      SER  23  -0.084  -4.579  -2.257
  157    HG   SER  23           HG       SER  23   1.570  -2.663  -2.562
  158    H    ALA  24           H        ALA  24   3.384  -6.669  -2.211
  159    HA   ALA  24           HA       ALA  24   5.345  -5.206  -3.750
  160    HB1  ALA  24           HB1      ALA  24   5.716  -7.263  -1.577
  161    HB2  ALA  24           HB2      ALA  24   6.982  -6.247  -2.267
  162    HB3  ALA  24           HB3      ALA  24   5.665  -5.514  -1.353
  163    H    ARG  25           H        ARG  25   3.973  -8.393  -3.689
  164    HA   ARG  25           HA       ARG  25   6.041  -9.463  -5.442
  165    HB2  ARG  25           HB3      ARG  25   3.566 -10.795  -4.330
  166    HG2  ARG  25           HG3      ARG  25   5.037 -10.266  -2.500
  167    HD2  ARG  25           HD3      ARG  25   7.109  -9.898  -3.707
  168    HE   ARG  25           HE       ARG  25   6.715 -12.331  -4.923
  169   HH11  ARG  25          HH12      ARG  25   9.292 -10.777  -3.171
  170   HH12  ARG  25          HH11      ARG  25  10.549 -11.612  -4.021
  171   HH21  ARG  25          HH21      ARG  25   8.361 -13.438  -6.048
  172   HH22  ARG  25          HH22      ARG  25  10.019 -13.126  -5.656
  173    H    LEU  26           H        LEU  26   2.906  -8.061  -5.628
  174    HA   LEU  26           HA       LEU  26   2.577  -9.023  -8.385
  175    HB2  LEU  26           HB3      LEU  26   0.550  -7.758  -6.543
  176    HG   LEU  26           HG       LEU  26   1.006 -10.032  -5.797
  177   HD11  LEU  26          HD11      LEU  26  -1.294  -9.239  -5.712
  178   HD12  LEU  26          HD12      LEU  26  -1.567  -9.822  -7.354
  179   HD13  LEU  26          HD13      LEU  26  -1.237 -10.968  -6.055
  180   HD21  LEU  26          HD21      LEU  26   0.668 -11.936  -7.294
  181   HD22  LEU  26          HD22      LEU  26   0.403 -10.831  -8.642
  182   HD23  LEU  26          HD23      LEU  26   1.981 -10.901  -7.856
  183    H    GLN  27           H        GLN  27   3.379  -6.263  -6.534
  184    HA   GLN  27           HA       GLN  27   3.853  -4.110  -7.094
  185    HB2  GLN  27           HB3      GLN  27   3.757  -5.251  -9.890
  186    HG2  GLN  27           HG3      GLN  27   6.094  -4.548  -8.131
  187   HE21  GLN  27          HE22      GLN  27   7.088  -3.268  -9.696
  188   HE22  GLN  27          HE21      GLN  27   7.740  -3.939 -11.148
  189    H    THR  28           H        THR  28   2.052  -3.074  -6.366
  190    HA   THR  28           HA       THR  28   0.200  -2.113  -8.376
  191    HB   THR  28           HB       THR  28  -0.825  -3.615  -5.956
  192    HG1  THR  28           HG1      THR  28  -1.240  -5.235  -7.312
  193   HG21  THR  28          HG21      THR  28  -2.175  -1.628  -6.640
  194   HG22  THR  28          HG22      THR  28  -3.033  -3.161  -6.785
  195   HG23  THR  28          HG23      THR  28  -2.383  -2.377  -8.225
  196    HA   PRO  29           HA       PRO  29   0.599   1.746  -6.251
  197    HB2  PRO  29           HB3      PRO  29  -2.389   1.697  -6.467
  198    HG2  PRO  29           HG3      PRO  29  -2.322   1.541  -8.778
  199    HD2  PRO  29           HD3      PRO  29  -1.623  -0.602  -8.470
  200    H    GLN  30           H        GLN  30   1.040   1.788  -4.148
  201    HA   GLN  30           HA       GLN  30  -0.237   0.164  -2.224
  202    HB2  GLN  30           HB3      GLN  30   1.624   2.519  -1.949
  203    HG2  GLN  30           HG3      GLN  30   3.234   0.853  -1.200
  204   HE21  GLN  30          HE22      GLN  30   3.319  -1.480  -2.971
  205   HE22  GLN  30          HE21      GLN  30   3.604  -0.857  -4.557
  206    HA   PRO  31           HA       PRO  31  -2.266   4.490  -0.890
  207    HB2  PRO  31           HB3      PRO  31  -2.828   5.376  -3.673
  208    HG2  PRO  31           HG3      PRO  31  -0.623   5.904  -4.166
  209    HD2  PRO  31           HD3      PRO  31  -0.464   3.610  -4.278
  210    H    LEU  32           H        LEU  32  -2.981   2.308  -3.494
  211    HA   LEU  32           HA       LEU  32  -5.851   2.617  -3.220
  212    HB2  LEU  32           HB3      LEU  32  -4.688   2.159  -5.411
  213    HG   LEU  32           HG       LEU  32  -6.310   0.718  -6.355
  214   HD11  LEU  32          HD11      LEU  32  -7.154  -0.295  -3.666
  215   HD12  LEU  32          HD12      LEU  32  -7.491  -0.960  -5.260
  216   HD13  LEU  32          HD13      LEU  32  -5.870  -1.086  -4.576
  217   HD21  LEU  32          HD21      LEU  32  -7.197   2.832  -5.498
  218   HD22  LEU  32          HD22      LEU  32  -8.403   1.547  -5.437
  219   HD23  LEU  32          HD23      LEU  32  -7.574   2.049  -3.963
  220    H    ILE  33           H        ILE  33  -3.345   0.242  -2.467
  221    HA   ILE  33           HA       ILE  33  -4.853  -1.881  -1.588
  222    HB   ILE  33           HB       ILE  33  -2.299  -0.888  -0.320
  223   HG12  ILE  33          HG13      ILE  33  -2.069  -1.202  -2.740
  224   HG21  ILE  33          HG21      ILE  33  -1.984  -3.242   0.328
  225   HG22  ILE  33          HG22      ILE  33  -3.415  -2.529   1.070
  226   HG23  ILE  33          HG23      ILE  33  -3.586  -3.616  -0.308
  227   HD11  ILE  33          HD11      ILE  33  -2.963  -4.036  -2.273
  228   HD12  ILE  33          HD12      ILE  33  -3.877  -2.798  -3.133
  229   HD13  ILE  33          HD13      ILE  33  -2.340  -3.368  -3.782
  230    H    ASP  34           H        ASP  34  -3.657   0.801   0.452
  231    HA   ASP  34           HA       ASP  34  -4.761   0.071   2.856
  232    HB2  ASP  34           HB3      ASP  34  -4.748   2.442   3.462
  233    H    ALA  35           H        ALA  35  -6.338   1.681   0.149
  234    HA   ALA  35           HA       ALA  35  -8.825   2.050   1.527
  235    HB1  ALA  35           HB1      ALA  35  -9.694   2.761  -0.629
  236    HB2  ALA  35           HB2      ALA  35  -8.134   3.522  -0.314
  237    HB3  ALA  35           HB3      ALA  35  -8.241   2.161  -1.430
  238    H    MET  36           H        MET  36  -7.360  -0.448  -0.380
  239    HA   MET  36           HA       MET  36  -9.664  -1.844  -1.178
  240    HB2  MET  36           HB3      MET  36  -7.464  -2.316  -2.130
  241    HG2  MET  36           HG3      MET  36  -8.495  -4.730  -0.656
  242    HE1  MET  36           HE1      MET  36  -6.004  -5.602  -0.249
  243    HE2  MET  36           HE2      MET  36  -4.789  -5.713  -1.521
  244    HE3  MET  36           HE3      MET  36  -5.346  -4.134  -0.970
  245    H    LEU  37           H        LEU  37  -7.455  -2.566   1.526
  246    HA   LEU  37           HA       LEU  37  -9.152  -4.466   2.733
  247    HB2  LEU  37           HB3      LEU  37  -6.973  -2.775   3.963
  248    HG   LEU  37           HG       LEU  37  -6.035  -4.165   2.204
  249   HD11  LEU  37          HD11      LEU  37  -4.520  -5.564   3.606
  250   HD12  LEU  37          HD12      LEU  37  -4.663  -3.888   4.137
  251   HD13  LEU  37          HD13      LEU  37  -5.525  -5.162   4.998
  252   HD21  LEU  37          HD21      LEU  37  -7.772  -5.833   2.011
  253   HD22  LEU  37          HD22      LEU  37  -6.225  -6.620   2.327
  254   HD23  LEU  37          HD23      LEU  37  -7.406  -6.443   3.625
  255    H    GLU  38           H        GLU  38  -8.549  -1.036   3.486
  256    HA   GLU  38           HA       GLU  38 -10.278  -0.751   5.628
  257    HB2  GLU  38           HB3      GLU  38  -8.752   1.023   4.926
  258    HG2  GLU  38           HG3      GLU  38 -10.183   2.980   5.048
  259    H    ARG  39           H        ARG  39 -10.960  -0.721   2.175
  260    HA   ARG  39           HA       ARG  39 -13.624   0.143   2.289
  261    HB2  ARG  39           HB3      ARG  39 -12.416   0.072   0.192
  262    HG2  ARG  39           HG3      ARG  39 -14.621  -1.969   0.029
  263    HD2  ARG  39           HD3      ARG  39 -13.523  -0.017  -1.991
  264    HE   ARG  39           HE       ARG  39 -15.942  -1.581  -2.029
  265   HH11  ARG  39          HH12      ARG  39 -13.459  -0.058  -3.935
  266   HH12  ARG  39          HH11      ARG  39 -14.437   0.049  -5.361
  267   HH21  ARG  39          HH21      ARG  39 -17.240  -1.447  -3.903
  268   HH22  ARG  39          HH22      ARG  39 -16.588  -0.739  -5.342
  269    H    MET  40           H        MET  40 -12.416  -3.206   1.938
  270    HA   MET  40           HA       MET  40 -14.878  -4.470   2.241
  271    HB2  MET  40           HB3      MET  40 -12.930  -5.666   1.434
  272    HG2  MET  40           HG3      MET  40 -13.042  -7.715   2.673
  273    HE1  MET  40           HE1      MET  40 -14.392  -8.128   0.386
  274    HE2  MET  40           HE2      MET  40 -15.955  -7.380   0.062
  275    HE3  MET  40           HE3      MET  40 -14.521  -6.373   0.271
  276    H    GLU  41           H        GLU  41 -12.598  -3.334   4.659
  277    HA   GLU  41           HA       GLU  41 -14.067  -4.506   6.856
  278    HB2  GLU  41           HB3      GLU  41 -11.607  -4.267   6.919
  279    HG2  GLU  41           HG3      GLU  41 -12.998  -4.177   9.050
  280    H    ALA  42           H        ALA  42 -14.144  -1.575   5.062
  281    HA   ALA  42           HA       ALA  42 -14.976   0.326   6.863
  282    HB1  ALA  42           HB1      ALA  42 -16.068  -0.064   4.078
  283    HB2  ALA  42           HB2      ALA  42 -16.089   1.430   5.014
  284    HB3  ALA  42           HB3      ALA  42 -14.553   0.750   4.475
  285    H    MET  43           H        MET  43 -16.887  -2.247   5.373
  286    HA   MET  43           HA       MET  43 -19.394  -1.384   6.371
  287    HB2  MET  43           HB3      MET  43 -20.182  -3.630   5.782
  288    HG2  MET  43           HG3      MET  43 -18.474  -5.114   4.585
  289    HE1  MET  43           HE1      MET  43 -20.920  -5.149   6.745
  290    HE2  MET  43           HE2      MET  43 -20.463  -6.468   5.667
  291    HE3  MET  43           HE3      MET  43 -20.642  -6.764   7.396
  292    H    GLY  44           H        GLY  44 -16.759  -3.171   7.747
  293    HA2  GLY  44           HA2      GLY  44 -16.700  -3.062  10.226
  294    HA3  GLY  44           HA3      GLY  44 -18.379  -3.589  10.185
  295    H    LYS  45           H        LYS  45 -15.345  -4.706   8.653
  296    HA   LYS  45           HA       LYS  45 -16.073  -7.432   8.769
  297    HB2  LYS  45           HB3      LYS  45 -13.526  -5.958   8.229
  298    HG2  LYS  45           HG3      LYS  45 -15.184  -6.305   6.420
  299    HD2  LYS  45           HD3      LYS  45 -14.500  -9.210   6.856
  300    HE2  LYS  45           HE3      LYS  45 -16.236  -7.935   4.744
  301    HZ1  LYS  45           HZ1      LYS  45 -16.361 -10.173   3.859
  302    HZ2  LYS  45           HZ2      LYS  45 -16.984 -10.132   5.432
  303    HZ3  LYS  45           HZ3      LYS  45 -15.443 -10.770   5.148
  304    H    VAL  46           H        VAL  46 -13.143  -6.220  10.350
  305    HA   VAL  46           HA       VAL  46 -14.017  -7.165  12.940
  306    HB   VAL  46           HB       VAL  46 -11.717  -8.519  11.519
  307   HG11  VAL  46          HG11      VAL  46 -11.025  -8.232  13.764
  308   HG12  VAL  46          HG12      VAL  46 -12.624  -8.646  14.386
  309   HG13  VAL  46          HG13      VAL  46 -11.617  -9.885  13.638
  310   HG21  VAL  46          HG21      VAL  46 -14.359  -9.562  12.526
  311   HG22  VAL  46          HG22      VAL  46 -13.859  -9.399  10.842
  312   HG23  VAL  46          HG23      VAL  46 -13.050 -10.561  11.894
  313    H    VAL  47           H        VAL  47 -10.676  -6.946  11.777
  314    HA   VAL  47           HA       VAL  47 -10.381  -4.323  13.027
  315    HB   VAL  47           HB       VAL  47  -8.682  -6.701  13.807
  316   HG11  VAL  47          HG11      VAL  47  -8.499  -3.814  14.665
  317   HG12  VAL  47          HG12      VAL  47  -7.542  -5.145  15.318
  318   HG13  VAL  47          HG13      VAL  47  -7.353  -4.666  13.632
  319   HG21  VAL  47          HG21      VAL  47 -10.556  -5.025  15.475
  320   HG22  VAL  47          HG22      VAL  47 -10.904  -6.647  14.876
  321   HG23  VAL  47          HG23      VAL  47  -9.596  -6.395  16.030
  322    H    ARG  48           H        ARG  48  -8.827  -3.066  12.103
  323    HA   ARG  48           HA       ARG  48  -7.084  -4.305  10.092
  324    HB2  ARG  48           HB3      ARG  48  -7.475  -2.151   8.734
  325    HG2  ARG  48           HG3      ARG  48  -9.707  -1.192   8.909
  326    HD2  ARG  48           HD3      ARG  48  -8.355  -0.940  11.581
  327    HE   ARG  48           HE       ARG  48 -10.475   0.444  10.646
  328   HH11  ARG  48          HH12      ARG  48  -7.163   1.301  11.297
  329   HH12  ARG  48          HH11      ARG  48  -7.534   2.943  11.706
  330   HH21  ARG  48          HH21      ARG  48 -10.973   2.603  11.182
  331   HH22  ARG  48          HH22      ARG  48  -9.699   3.683  11.642
  332    H    ILE  49           H        ILE  49  -5.252  -2.905   9.454
  333    HA   ILE  49           HA       ILE  49  -4.523  -0.859  11.404
  334    HB   ILE  49           HB       ILE  49  -2.719  -3.210  10.830
  335   HG12  ILE  49          HG13      ILE  49  -4.283  -2.509  13.325
  336   HG21  ILE  49          HG21      ILE  49  -1.288  -2.239  12.555
  337   HG22  ILE  49          HG22      ILE  49  -1.524  -1.118  11.215
  338   HG23  ILE  49          HG23      ILE  49  -2.405  -0.886  12.725
  339   HD11  ILE  49          HD11      ILE  49  -3.439  -4.589  14.258
  340   HD12  ILE  49          HD12      ILE  49  -2.409  -4.811  12.843
  341   HD13  ILE  49          HD13      ILE  49  -2.131  -3.452  13.933
  342    H    SER  50           H        SER  50  -4.079   0.828  10.146
  343    HA   SER  50           HA       SER  50  -2.856   0.415   7.531
  344    HB2  SER  50           HB3      SER  50  -4.760   1.874   7.505
  345    HG   SER  50           HG       SER  50  -3.830   3.713   6.643
  346    H    GLU  51           H        GLU  51  -0.744   0.496   7.305
  347    HA   GLU  51           HA       GLU  51   0.800   2.264   9.086
  348    HB2  GLU  51           HB3      GLU  51   1.203  -0.099   9.612
  349    HG2  GLU  51           HG3      GLU  51   3.611  -0.224   9.335
  350    H    THR  52           H        THR  52   2.703   3.217   8.186
  351    HA   THR  52           HA       THR  52   2.393   3.819   5.356
  352    HB   THR  52           HB       THR  52   4.046   5.589   5.732
  353    HG1  THR  52           HG1      THR  52   5.235   5.645   7.506
  354   HG21  THR  52          HG21      THR  52   2.754   6.954   7.314
  355   HG22  THR  52          HG22      THR  52   1.902   5.509   7.858
  356   HG23  THR  52          HG23      THR  52   1.701   6.079   6.201
  357    H    SER  53           H        SER  53   4.428   4.040   4.040
  358    HA   SER  53           HA       SER  53   5.935   1.565   4.262
  359    HB2  SER  53           HB3      SER  53   5.004   2.177   2.079
  360    HG   SER  53           HG       SER  53   7.630   2.622   1.473
  361    H    GLU  54           H        GLU  54   7.538   1.705   5.723
  362    HA   GLU  54           HA       GLU  54   9.586   3.753   5.259
  363    HB2  GLU  54           HB3      GLU  54   9.879   4.081   7.668
  364    HG2  GLU  54           HG3      GLU  54   8.992   1.905   8.441
  365    H    GLY  55           H        GLY  55  11.584   2.946   5.149
  366    HA2  GLY  55           HA2      GLY  55  11.974   0.164   6.053
  367    HA3  GLY  55           HA3      GLY  55  12.836   0.906   4.713
  368    H    CYS  56           H        CYS  56  12.571   0.654   8.182
  369    HA   CYS  56           HA       CYS  56  14.085   0.987   9.848
  370    HB2  CYS  56           HB3      CYS  56  15.674  -0.128   8.303
  371    HG   CYS  56           HG       CYS  56  17.537   2.368   9.631
  372    H    LEU  57           H        LEU  57  15.217   3.236   7.323
  373    HA   LEU  57           HA       LEU  57  15.632   5.369   9.128
  374    HB2  LEU  57           HB3      LEU  57  16.773   5.159   6.954
  375    HG   LEU  57           HG       LEU  57  15.170   7.717   7.102
  376   HD11  LEU  57          HD11      LEU  57  16.398   7.277   9.160
  377   HD12  LEU  57          HD12      LEU  57  17.879   7.027   8.234
  378   HD13  LEU  57          HD13      LEU  57  17.117   8.617   8.267
  379   HD21  LEU  57          HD21      LEU  57  17.004   8.675   5.799
  380   HD22  LEU  57          HD22      LEU  57  17.757   7.085   5.683
  381   HD23  LEU  57          HD23      LEU  57  16.198   7.380   4.915
  382    H    SER  58           H        SER  58  14.246   6.751  10.006
  383    HA   SER  58           HA       SER  58  11.617   7.120   8.727
  384    HB2  SER  58           HB3      SER  58  10.662   7.367  11.014
  385    HG   SER  58           HG       SER  58  12.088   7.666  12.525
  386    H    GLY  59           H        GLY  59  14.125   8.694   8.553
  387    HA2  GLY  59           HA2      GLY  59  13.600  11.107  10.064
  388    HA3  GLY  59           HA3      GLY  59  14.899  10.862   8.907
  389    H    SER  60           H        SER  60  11.339  10.741   8.694
  390    HA   SER  60           HA       SER  60  11.484  12.819   6.621
  391    HB2  SER  60           HB3      SER  60   9.751  11.624   5.327
  392    HG   SER  60           HG       SER  60  10.225   9.393   6.993
  393    H    CYS  61           H        CYS  61   9.421  13.938   6.255
  394    HA   CYS  61           HA       CYS  61   8.297  14.942   8.576
  395    HB2  CYS  61           HB3      CYS  61   8.141  16.053   6.382
  396    HG   CYS  61           HG       CYS  61   5.091  15.513   7.832
  397    H    LYS  62           H        LYS  62   6.976  12.474   6.391
  398    HA   LYS  62           HA       LYS  62   5.485  10.793   6.711
  399    HB2  LYS  62           HB3      LYS  62   6.865  10.115   8.567
  400    HG2  LYS  62           HG3      LYS  62   4.009  10.154   9.515
  401    HD2  LYS  62           HD3      LYS  62   5.555   9.468  11.259
  402    HE2  LYS  62           HE3      LYS  62   6.548   7.471   9.230
  403    HZ1  LYS  62           HZ1      LYS  62   6.439   6.501  11.431
  404    HZ2  LYS  62           HZ2      LYS  62   7.283   7.813  12.086
  405    HZ3  LYS  62           HZ3      LYS  62   8.051   6.776  10.995
  406    H    SER  63           H        SER  63   4.689  12.680   9.614
  407    HA   SER  63           HA       SER  63   1.933  12.522   9.279
  408    HB2  SER  63           HB3      SER  63   1.804  14.380  10.910
  409    HG   SER  63           HG       SER  63   4.188  14.853  11.627
  410    H    CYS  64           H        CYS  64   0.820  13.221   7.581
  411    HA   CYS  64           HA       CYS  64   1.271  15.972   6.654
  412    HB2  CYS  64           HB3      CYS  64   0.868  13.568   4.860
  413    HG   CYS  64           HG       CYS  64   3.494  13.400   5.662
  414    HA   PRO  65           HA       PRO  65  -3.123  16.276   6.960
  415    HB2  PRO  65           HB3      PRO  65  -3.623  18.333   5.294
  416    HG2  PRO  65           HG3      PRO  65  -1.657  18.343   4.060
  417    HD2  PRO  65           HD3      PRO  65   0.207  17.203   4.763
  418    H    GLU  66           H        GLU  66  -1.692  15.988   3.759
  419    HA   GLU  66           HA       GLU  66  -4.118  14.577   2.875
  420    HB2  GLU  66           HB3      GLU  66  -4.043  16.786   1.814
  421    HG2  GLU  66           HG3      GLU  66  -4.016  16.149  -0.557
  422    H    GLY  67           H        GLY  67  -0.757  15.187   1.822
  423    HA2  GLY  67           HA2      GLY  67   0.944  13.619   1.516
  424    HA3  GLY  67           HA3      GLY  67  -0.206  12.338   1.871
  425    H    LYS  68           H        LYS  68   0.676  14.708  -0.617
  426    HA   LYS  68           HA       LYS  68  -0.825  13.747  -2.728
  427    HB2  LYS  68           HB3      LYS  68   1.952  14.939  -2.747
  428    HG2  LYS  68           HG3      LYS  68  -0.707  16.215  -3.352
  429    HD2  LYS  68           HD3      LYS  68   2.039  17.433  -3.088
  430    HE2  LYS  68           HE3      LYS  68   0.206  18.919  -2.431
  431    HZ1  LYS  68           HZ1      LYS  68  -1.425  19.589  -4.075
  432    HZ2  LYS  68           HZ2      LYS  68  -1.566  17.934  -3.749
  433    HZ3  LYS  68           HZ3      LYS  68  -0.824  18.454  -5.176
  434    H    ALA  69           H        ALA  69  -0.922  11.804  -3.629
  435    HA   ALA  69           HA       ALA  69  -0.373   9.708  -4.337
  436    HB1  ALA  69           HB1      ALA  69   1.760   9.459  -5.471
  437    HB2  ALA  69           HB2      ALA  69   1.024  11.011  -5.875
  438    HB3  ALA  69           HB3      ALA  69   2.353  10.939  -4.716
  439    H    ALA  70           H        ALA  70   0.115  10.512  -1.452
  440    HA   ALA  70           HA       ALA  70   2.354   9.241  -0.399
  441    HB1  ALA  70           HB1      ALA  70   0.915  10.716   0.908
  442    HB2  ALA  70           HB2      ALA  70  -0.376   9.515   0.854
  443    HB3  ALA  70           HB3      ALA  70   1.125   9.158   1.709
  444    H    CYS  71           H        CYS  71   2.960   7.185  -0.319
  445    HA   CYS  71           HA       CYS  71   1.092   5.105  -1.115
  446    HB2  CYS  71           HB3      CYS  71   4.049   4.957  -0.492
  447    HG   CYS  71           HG       CYS  71   3.588   6.627  -2.758
  448    H    ARG  72           H        ARG  72  -0.039   3.978   0.315
  449    HA   ARG  72           HA       ARG  72   1.169   3.274   2.879
  450    HB2  ARG  72           HB3      ARG  72  -0.743   3.998   4.165
  451    HG2  ARG  72           HG3      ARG  72  -1.905   5.323   1.746
  452    HD2  ARG  72           HD3      ARG  72  -3.871   5.504   3.096
  453    HE   ARG  72           HE       ARG  72  -1.605   6.835   3.838
  454   HH11  ARG  72          HH12      ARG  72  -4.426   5.646   5.499
  455   HH12  ARG  72          HH11      ARG  72  -4.392   6.881   6.712
  456   HH21  ARG  72          HH21      ARG  72  -1.548   8.461   5.437
  457   HH22  ARG  72          HH22      ARG  72  -2.755   8.480   6.679
  458    H    GLN  73           H        GLN  73   0.241   1.454   3.886
  459    HA   GLN  73           HA       GLN  73  -1.880   0.026   2.491
  460    HB2  GLN  73           HB3      GLN  73  -0.510  -2.053   2.395
  461    HG2  GLN  73           HG3      GLN  73   1.656  -0.184   3.267
  462   HE21  GLN  73          HE22      GLN  73   3.802  -0.734   2.925
  463   HE22  GLN  73          HE21      GLN  73   4.296  -1.772   1.635
  464    H    GLU  74           H        GLU  74  -3.125  -1.154   3.871
  465    HA   GLU  74           HA       GLU  74  -2.239  -1.212   6.674
  466    HB2  GLU  74           HB3      GLU  74  -4.597  -1.368   7.276
  467    HG2  GLU  74           HG3      GLU  74  -5.169  -1.165   4.328
  468    H    TRP  75           H        TRP  75  -3.586  -3.021   7.893
  469    HA   TRP  75           HA       TRP  75  -3.114  -5.557   6.467
  470    HB2  TRP  75           HB3      TRP  75  -1.443  -5.178   8.230
  471    HD1  TRP  75           HD1      TRP  75  -4.510  -7.349   9.265
  472    HE1  TRP  75           HE1      TRP  75  -3.682  -9.768   9.570
  473    HE3  TRP  75           HE3      TRP  75   0.439  -6.660   8.176
  474    HZ2  TRP  75           HZ2      TRP  75  -1.254 -11.193   9.377
  475    HZ3  TRP  75           HZ3      TRP  75   1.946  -8.600   8.260
  476    HH2  TRP  75           HH2      TRP  75   1.117 -10.821   8.849
  477    H    TRP  76           H        TRP  76  -4.667  -7.131   6.628
  478    HA   TRP  76           HA       TRP  76  -7.145  -6.339   8.008
  479    HB2  TRP  76           HB3      TRP  76  -7.360  -6.523   5.564
  480    HD1  TRP  76           HD1      TRP  76  -9.074  -7.501   8.473
  481    HE1  TRP  76           HE1      TRP  76 -11.415  -8.463   8.001
  482    HE3  TRP  76           HE3      TRP  76  -8.553  -8.493   3.485
  483    HZ2  TRP  76           HZ2      TRP  76 -12.850  -9.503   5.804
  484    HZ3  TRP  76           HZ3      TRP  76 -10.457  -9.470   2.271
  485    HH2  TRP  76           HH2      TRP  76 -12.561  -9.964   3.408
  486    H    ALA  77           H        ALA  77  -7.574  -7.424   9.794
  487    HA   ALA  77           HA       ALA  77  -6.900 -10.278   9.913
  488    HB1  ALA  77           HB1      ALA  77  -6.367  -8.292  12.118
  489    HB2  ALA  77           HB2      ALA  77  -6.132 -10.037  12.219
  490    HB3  ALA  77           HB3      ALA  77  -5.151  -9.078  11.111
  491    H    LEU  78           H        LEU  78  -8.388 -11.560  10.879
  492    HA   LEU  78           HA       LEU  78 -10.832 -10.241  11.847
  493    HB2  LEU  78           HB3      LEU  78 -10.432 -12.995  10.677
  494    HG   LEU  78           HG       LEU  78 -11.858 -10.583   9.561
  495   HD11  LEU  78          HD11      LEU  78  -9.470 -12.194   8.724
  496   HD12  LEU  78          HD12      LEU  78 -10.355 -11.164   7.597
  497   HD13  LEU  78          HD13      LEU  78  -9.576 -10.459   9.014
  498   HD21  LEU  78          HD21      LEU  78 -13.258 -12.523   9.232
  499   HD22  LEU  78          HD22      LEU  78 -12.492 -12.086   7.704
  500   HD23  LEU  78          HD23      LEU  78 -11.882 -13.452   8.637
  501    H    ARG  79           H        ARG  79 -12.105 -11.960  13.309
  502    HA   ARG  79           HA       ARG  79 -10.208 -12.775  15.410
  503    HB2  ARG  79           HB3      ARG  79 -11.629 -10.935  16.134
  504    HG2  ARG  79           HG3      ARG  79 -12.573 -13.509  17.379
  505    HD2  ARG  79           HD3      ARG  79 -12.510 -10.704  18.481
  506    HE   ARG  79           HE       ARG  79 -12.732 -13.177  19.832
  507   HH11  ARG  79          HH12      ARG  79 -14.112  -9.981  19.729
  508   HH12  ARG  79          HH11      ARG  79 -14.597  -9.996  21.391
  509   HH21  ARG  79          HH21      ARG  79 -13.366 -13.206  22.025
  510   HH22  ARG  79          HH22      ARG  79 -14.168 -11.827  22.697
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -4.984  -4.773 -12.994
    2    H2   MET   1           H2       MET   1  -4.962  -6.381 -12.464
    3    H3   MET   1           H3       MET   1  -4.013  -5.220 -11.682
    4    HA   MET   1           HA       MET   1  -5.979  -4.060 -10.931
    5    HB2  MET   1           HB3      MET   1  -8.183  -5.062 -11.253
    6    HG2  MET   1           HG3      MET   1  -6.793  -7.057 -13.025
    7    HE1  MET   1           HE1      MET   1  -9.843  -5.930 -15.230
    8    HE2  MET   1           HE2      MET   1  -8.803  -4.896 -14.249
    9    HE3  MET   1           HE3      MET   1  -8.102  -6.212 -15.196
   10    H    ALA   2           H        ALA   2  -7.061  -4.658  -8.951
   11    HA   ALA   2           HA       ALA   2  -6.780  -7.287  -7.862
   12    HB1  ALA   2           HB1      ALA   2  -4.963  -5.128  -6.791
   13    HB2  ALA   2           HB2      ALA   2  -5.212  -6.713  -6.059
   14    HB3  ALA   2           HB3      ALA   2  -4.463  -6.585  -7.651
   15    H    SER   3           H        SER   3  -8.805  -7.313  -7.069
   16    HA   SER   3           HA       SER   3  -9.817  -5.002  -5.601
   17    HB2  SER   3           HB3      SER   3 -11.201  -7.563  -6.439
   18    HG   SER   3           HG       SER   3 -11.301  -6.537  -8.264
   19    H    LEU   4           H        LEU   4 -11.181  -5.555  -3.615
   20    HA   LEU   4           HA       LEU   4  -9.497  -6.580  -1.623
   21    HB2  LEU   4           HB3      LEU   4 -11.446  -6.389  -0.134
   22    HG   LEU   4           HG       LEU   4 -12.979  -5.929  -2.677
   23   HD11  LEU   4          HD11      LEU   4 -13.213  -8.134  -1.886
   24   HD12  LEU   4          HD12      LEU   4 -13.359  -7.602  -0.212
   25   HD13  LEU   4          HD13      LEU   4 -14.663  -7.285  -1.355
   26   HD21  LEU   4          HD21      LEU   4 -13.705  -4.941   0.078
   27   HD22  LEU   4          HD22      LEU   4 -13.304  -3.940  -1.317
   28   HD23  LEU   4          HD23      LEU   4 -14.763  -4.929  -1.332
   29    H    MET   5           H        MET   5 -11.571  -8.208  -3.797
   30    HA   MET   5           HA       MET   5 -12.343 -10.425  -2.274
   31    HB2  MET   5           HB3      MET   5 -11.775 -10.190  -5.233
   32    HG2  MET   5           HG3      MET   5 -14.375 -10.194  -3.718
   33    HE1  MET   5           HE1      MET   5 -16.661  -9.830  -5.028
   34    HE2  MET   5           HE2      MET   5 -15.956  -8.397  -5.778
   35    HE3  MET   5           HE3      MET   5 -16.751  -9.613  -6.777
   36    H    GLU   6           H        GLU   6  -9.319  -9.613  -3.806
   37    HA   GLU   6           HA       GLU   6  -8.130 -12.152  -3.883
   38    HB2  GLU   6           HB3      GLU   6  -7.172 -10.223  -5.033
   39    HG2  GLU   6           HG3      GLU   6  -5.275 -11.201  -2.911
   40    H    VAL   7           H        VAL   7  -7.530  -9.581  -1.476
   41    HA   VAL   7           HA       VAL   7  -6.140 -11.158   0.340
   42    HB   VAL   7           HB       VAL   7  -7.855  -8.728   0.879
   43   HG11  VAL   7          HG11      VAL   7  -5.653  -9.960   2.515
   44   HG12  VAL   7          HG12      VAL   7  -6.481  -8.444   2.874
   45   HG13  VAL   7          HG13      VAL   7  -7.371  -9.965   2.909
   46   HG21  VAL   7          HG21      VAL   7  -4.885  -8.897   0.397
   47   HG22  VAL   7          HG22      VAL   7  -6.067  -8.403  -0.814
   48   HG23  VAL   7          HG23      VAL   7  -5.841  -7.437   0.644
   49    H    ARG   8           H        ARG   8  -9.554 -10.650  -0.156
   50    HA   ARG   8           HA       ARG   8 -10.579 -11.691   2.219
   51    HB2  ARG   8           HB3      ARG   8 -12.011 -10.517   0.697
   52    HG2  ARG   8           HG3      ARG   8 -12.865 -13.402   0.592
   53    HD2  ARG   8           HD3      ARG   8 -14.430 -10.827   0.470
   54    HE   ARG   8           HE       ARG   8 -15.363 -13.278   1.328
   55   HH11  ARG   8          HH12      ARG   8 -16.071 -11.040  -1.247
   56   HH12  ARG   8          HH11      ARG   8 -17.745 -11.474  -1.337
   57   HH21  ARG   8          HH21      ARG   8 -17.569 -13.854   1.216
   58   HH22  ARG   8          HH22      ARG   8 -18.597 -13.072   0.063
   59    H    ASP   9           H        ASP   9 -10.302 -13.372  -0.922
   60    HA   ASP   9           HA       ASP   9 -10.948 -15.915  -0.058
   61    HB2  ASP   9           HB3      ASP   9 -10.711 -15.339  -2.426
   62    H    MET  10           H        MET  10  -7.704 -14.471  -0.314
   63    HA   MET  10           HA       MET  10  -6.267 -16.645   0.696
   64    HB2  MET  10           HB3      MET  10  -5.610 -13.707   1.001
   65    HG2  MET  10           HG3      MET  10  -5.999 -14.308  -1.351
   66    HE1  MET  10           HE1      MET  10  -3.754 -16.553  -3.750
   67    HE2  MET  10           HE2      MET  10  -5.145 -15.470  -3.730
   68    HE3  MET  10           HE3      MET  10  -3.556 -14.875  -3.247
   69    H    LEU  11           H        LEU  11  -8.103 -14.148   2.283
   70    HA   LEU  11           HA       LEU  11  -7.077 -14.483   4.895
   71    HB2  LEU  11           HB3      LEU  11  -8.479 -12.562   4.022
   72    HG   LEU  11           HG       LEU  11  -9.357 -13.834   6.614
   73   HD11  LEU  11          HD11      LEU  11  -7.000 -13.270   6.554
   74   HD12  LEU  11          HD12      LEU  11  -7.383 -11.644   5.990
   75   HD13  LEU  11          HD13      LEU  11  -7.865 -12.152   7.609
   76   HD21  LEU  11          HD21      LEU  11  -9.858 -11.050   5.571
   77   HD22  LEU  11          HD22      LEU  11 -11.072 -12.306   5.818
   78   HD23  LEU  11          HD23      LEU  11 -10.219 -11.618   7.201
   79    H    ALA  12           H        ALA  12 -10.141 -15.637   3.476
   80    HA   ALA  12           HA       ALA  12 -10.912 -17.271   5.596
   81    HB1  ALA  12           HB1      ALA  12 -12.380 -18.390   3.988
   82    HB2  ALA  12           HB2      ALA  12 -12.429 -16.638   3.801
   83    HB3  ALA  12           HB3      ALA  12 -11.508 -17.619   2.662
   84    H    LEU  13           H        LEU  13  -8.541 -17.760   3.133
   85    HA   LEU  13           HA       LEU  13  -8.327 -20.611   3.719
   86    HB2  LEU  13           HB3      LEU  13  -6.833 -18.908   1.728
   87    HG   LEU  13           HG       LEU  13  -9.352 -19.287   1.308
   88   HD11  LEU  13          HD11      LEU  13  -7.299 -20.166  -0.716
   89   HD12  LEU  13          HD12      LEU  13  -8.952 -19.669  -1.078
   90   HD13  LEU  13          HD13      LEU  13  -7.811 -18.510  -0.395
   91   HD21  LEU  13          HD21      LEU  13  -9.403 -21.629   2.010
   92   HD22  LEU  13          HD22      LEU  13  -9.920 -21.447   0.335
   93   HD23  LEU  13          HD23      LEU  13  -8.302 -22.047   0.697
   94    H    GLN  14           H        GLN  14  -7.237 -17.919   5.195
   95    HA   GLN  14           HA       GLN  14  -4.974 -19.325   6.337
   96    HB2  GLN  14           HB3      GLN  14  -4.673 -16.640   4.983
   97    HG2  GLN  14           HG3      GLN  14  -3.211 -19.229   4.520
   98   HE21  GLN  14          HE22      GLN  14  -1.183 -18.261   4.654
   99   HE22  GLN  14          HE21      GLN  14  -0.626 -17.138   3.466
  100    H    GLY  15           H        GLY  15  -6.093 -15.937   6.283
  101    HA2  GLY  15           HA2      GLY  15  -7.372 -14.920   8.019
  102    HA3  GLY  15           HA3      GLY  15  -6.865 -16.207   9.103
  103    H    ARG  16           H        ARG  16  -6.692 -13.126   9.042
  104    HA   ARG  16           HA       ARG  16  -5.266 -11.507   9.765
  105    HB2  ARG  16           HB3      ARG  16  -3.940 -13.929  10.983
  106    HG2  ARG  16           HG3      ARG  16  -4.878 -13.076  13.087
  107    HD2  ARG  16           HD3      ARG  16  -7.050 -13.432  11.034
  108    HE   ARG  16           HE       ARG  16  -7.297 -13.196  13.736
  109   HH11  ARG  16          HH12      ARG  16  -7.870 -15.740  11.429
  110   HH12  ARG  16          HH11      ARG  16  -9.150 -16.461  12.346
  111   HH21  ARG  16          HH21      ARG  16  -8.984 -14.135  14.952
  112   HH22  ARG  16          HH22      ARG  16  -9.782 -15.550  14.350
  113    H    MET  17           H        MET  17  -4.443 -10.736   7.856
  114    HA   MET  17           HA       MET  17  -1.657 -11.259   7.374
  115    HB2  MET  17           HB3      MET  17  -3.713 -11.989   5.280
  116    HG2  MET  17           HG3      MET  17  -1.559 -13.624   6.600
  117    HE1  MET  17           HE1      MET  17  -4.922 -14.484   4.843
  118    HE2  MET  17           HE2      MET  17  -4.252 -13.328   3.693
  119    HE3  MET  17           HE3      MET  17  -4.401 -15.028   3.248
  120    H    GLU  18           H        GLU  18  -0.972  -9.962   5.312
  121    HA   GLU  18           HA       GLU  18  -2.476  -7.429   5.280
  122    HB2  GLU  18           HB3      GLU  18  -0.259  -6.292   4.974
  123    HG2  GLU  18           HG3      GLU  18   0.968  -8.422   4.338
  124    H    ALA  19           H        ALA  19  -2.498  -6.267   3.328
  125    HA   ALA  19           HA       ALA  19  -2.307  -7.943   0.986
  126    HB1  ALA  19           HB1      ALA  19  -3.201  -5.088   1.336
  127    HB2  ALA  19           HB2      ALA  19  -3.269  -5.982  -0.184
  128    HB3  ALA  19           HB3      ALA  19  -4.225  -6.516   1.198
  129    H    LYS  20           H        LYS  20  -0.310  -5.635   2.553
  130    HA   LYS  20           HA       LYS  20   1.058  -4.442   0.471
  131    HB2  LYS  20           HB3      LYS  20   2.948  -4.216   2.028
  132    HG2  LYS  20           HG3      LYS  20   1.368  -6.018   3.852
  133    HD2  LYS  20           HD3      LYS  20   2.489  -4.072   4.950
  134    HE2  LYS  20           HE3      LYS  20   5.007  -5.439   4.007
  135    HZ1  LYS  20           HZ1      LYS  20   4.627  -2.960   5.599
  136    HZ2  LYS  20           HZ2      LYS  20   6.109  -3.574   5.058
  137    HZ3  LYS  20           HZ3      LYS  20   5.202  -4.434   6.198
  138    H    GLN  21           H        GLN  21   1.619  -7.620   1.942
  139    HA   GLN  21           HA       GLN  21   3.942  -8.273   0.509
  140    HB2  GLN  21           HB3      GLN  21   1.787 -10.055   1.657
  141    HG2  GLN  21           HG3      GLN  21   4.510  -9.313   2.702
  142   HE21  GLN  21          HE22      GLN  21   5.199 -11.422   2.997
  143   HE22  GLN  21          HE21      GLN  21   4.481 -12.475   4.164
  144    H    LEU  22           H        LEU  22   0.581  -9.294  -0.117
  145    HA   LEU  22           HA       LEU  22   1.066 -10.555  -2.559
  146    HB2  LEU  22           HB3      LEU  22  -1.444  -9.140  -1.656
  147    HG   LEU  22           HG       LEU  22  -0.815 -10.907  -0.064
  148   HD11  LEU  22          HD11      LEU  22  -2.885 -12.190  -0.180
  149   HD12  LEU  22          HD12      LEU  22  -3.175 -10.486  -0.527
  150   HD13  LEU  22          HD13      LEU  22  -3.129 -11.659  -1.844
  151   HD21  LEU  22          HD21      LEU  22  -0.722 -13.235  -0.793
  152   HD22  LEU  22          HD22      LEU  22  -0.906 -12.723  -2.470
  153   HD23  LEU  22          HD23      LEU  22   0.539 -12.275  -1.564
  154    H    SER  23           H        SER  23   0.673  -7.182  -1.778
  155    HA   SER  23           HA       SER  23   0.237  -6.323  -4.480
  156    HB2  SER  23           HB3      SER  23  -0.574  -4.992  -2.578
  157    HG   SER  23           HG       SER  23   1.348  -3.274  -3.549
  158    H    ALA  24           H        ALA  24   2.995  -6.983  -2.491
  159    HA   ALA  24           HA       ALA  24   4.879  -5.496  -4.055
  160    HB1  ALA  24           HB1      ALA  24   5.350  -7.730  -2.082
  161    HB2  ALA  24           HB2      ALA  24   6.578  -6.643  -2.732
  162    HB3  ALA  24           HB3      ALA  24   5.296  -6.010  -1.699
  163    H    ARG  25           H        ARG  25   3.885  -8.885  -3.862
  164    HA   ARG  25           HA       ARG  25   5.731  -9.799  -5.834
  165    HB2  ARG  25           HB3      ARG  25   4.882 -11.361  -4.205
  166    HG2  ARG  25           HG3      ARG  25   4.010 -13.170  -5.548
  167    HD2  ARG  25           HD3      ARG  25   5.992 -11.499  -7.091
  168    HE   ARG  25           HE       ARG  25   4.917 -13.902  -7.883
  169   HH11  ARG  25          HH12      ARG  25   8.080 -12.713  -7.046
  170   HH12  ARG  25          HH11      ARG  25   8.913 -13.816  -8.090
  171   HH21  ARG  25          HH21      ARG  25   6.003 -15.360  -9.259
  172   HH22  ARG  25          HH22      ARG  25   7.732 -15.319  -9.350
  173    H    LEU  26           H        LEU  26   2.519  -8.466  -5.897
  174    HA   LEU  26           HA       LEU  26   2.189  -9.156  -8.720
  175    HB2  LEU  26           HB3      LEU  26   0.285  -7.855  -6.776
  176    HG   LEU  26           HG       LEU  26   0.549 -10.220  -6.245
  177   HD11  LEU  26          HD11      LEU  26  -1.773 -10.927  -6.544
  178   HD12  LEU  26          HD12      LEU  26  -1.667  -9.238  -6.042
  179   HD13  LEU  26          HD13      LEU  26  -2.011  -9.638  -7.725
  180   HD21  LEU  26          HD21      LEU  26   1.417 -10.998  -8.380
  181   HD22  LEU  26          HD22      LEU  26   0.003 -11.939  -7.906
  182   HD23  LEU  26          HD23      LEU  26  -0.144 -10.691  -9.143
  183    H    GLN  27           H        GLN  27   3.220  -6.557  -6.762
  184    HA   GLN  27           HA       GLN  27   3.896  -4.441  -7.237
  185    HB2  GLN  27           HB3      GLN  27   3.614  -5.412 -10.085
  186    HG2  GLN  27           HG3      GLN  27   6.080  -5.011  -8.408
  187   HE21  GLN  27          HE22      GLN  27   7.113  -3.830 -10.028
  188   HE22  GLN  27          HE21      GLN  27   7.614  -4.562 -11.510
  189    H    THR  28           H        THR  28   2.154  -3.376  -6.357
  190    HA   THR  28           HA       THR  28   0.390  -2.079  -8.267
  191    HB   THR  28           HB       THR  28  -0.760  -3.576  -5.903
  192    HG1  THR  28           HG1      THR  28  -0.579  -4.180  -8.654
  193   HG21  THR  28          HG21      THR  28  -2.143  -2.089  -8.141
  194   HG22  THR  28          HG22      THR  28  -1.946  -1.487  -6.494
  195   HG23  THR  28          HG23      THR  28  -2.922  -2.924  -6.796
  196    HA   PRO  29           HA       PRO  29   1.255   1.520  -5.848
  197    HB2  PRO  29           HB3      PRO  29  -1.680   1.989  -6.200
  198    HG2  PRO  29           HG3      PRO  29  -1.529   1.950  -8.521
  199    HD2  PRO  29           HD3      PRO  29  -1.333  -0.305  -8.174
  200    H    GLN  30           H        GLN  30   1.371   1.792  -3.699
  201    HA   GLN  30           HA       GLN  30   0.014   0.071  -1.920
  202    HB2  GLN  30           HB3      GLN  30   1.685   2.535  -1.456
  203    HG2  GLN  30           HG3      GLN  30   3.322   0.994  -0.574
  204   HE21  GLN  30          HE22      GLN  30   4.348   2.003  -2.301
  205   HE22  GLN  30          HE21      GLN  30   4.452   1.270  -3.861
  206    HA   PRO  31           HA       PRO  31  -2.349   4.348  -0.797
  207    HB2  PRO  31           HB3      PRO  31  -2.749   4.932  -3.702
  208    HG2  PRO  31           HG3      PRO  31  -0.579   5.705  -3.988
  209    HD2  PRO  31           HD3      PRO  31  -0.064   3.478  -3.879
  210    H    LEU  32           H        LEU  32  -2.897   2.411  -3.720
  211    HA   LEU  32           HA       LEU  32  -5.725   2.353  -3.491
  212    HB2  LEU  32           HB3      LEU  32  -4.383   1.902  -5.572
  213    HG   LEU  32           HG       LEU  32  -5.798   0.231  -6.547
  214   HD11  LEU  32          HD11      LEU  32  -5.506  -1.364  -4.583
  215   HD12  LEU  32          HD12      LEU  32  -6.846  -0.499  -3.832
  216   HD13  LEU  32          HD13      LEU  32  -7.086  -1.330  -5.367
  217   HD21  LEU  32          HD21      LEU  32  -7.339   1.788  -4.475
  218   HD22  LEU  32          HD22      LEU  32  -6.840   2.384  -6.058
  219   HD23  LEU  32          HD23      LEU  32  -8.006   1.067  -5.940
  220    H    ILE  33           H        ILE  33  -3.217  -0.057  -2.707
  221    HA   ILE  33           HA       ILE  33  -4.766  -2.108  -1.761
  222    HB   ILE  33           HB       ILE  33  -2.173  -1.159  -0.531
  223   HG12  ILE  33          HG13      ILE  33  -1.913  -1.524  -2.918
  224   HG21  ILE  33          HG21      ILE  33  -3.515  -3.858  -0.452
  225   HG22  ILE  33          HG22      ILE  33  -1.912  -3.490   0.184
  226   HG23  ILE  33          HG23      ILE  33  -3.339  -2.739   0.898
  227   HD11  ILE  33          HD11      ILE  33  -3.057  -4.271  -2.478
  228   HD12  ILE  33          HD12      ILE  33  -3.842  -2.954  -3.351
  229   HD13  ILE  33          HD13      ILE  33  -2.349  -3.659  -3.972
  230    H    ASP  34           H        ASP  34  -3.640   0.722   0.074
  231    HA   ASP  34           HA       ASP  34  -4.751   0.037   2.541
  232    HB2  ASP  34           HB3      ASP  34  -3.133   1.898   2.163
  233    H    ALA  35           H        ALA  35  -6.132   1.684  -0.247
  234    HA   ALA  35           HA       ALA  35  -8.616   2.311   1.009
  235    HB1  ALA  35           HB1      ALA  35  -7.946   2.134  -1.925
  236    HB2  ALA  35           HB2      ALA  35  -9.375   2.899  -1.228
  237    HB3  ALA  35           HB3      ALA  35  -7.774   3.572  -0.916
  238    H    MET  36           H        MET  36  -7.314  -0.457  -0.614
  239    HA   MET  36           HA       MET  36  -9.726  -1.717  -1.363
  240    HB2  MET  36           HB3      MET  36  -7.522  -2.401  -2.228
  241    HG2  MET  36           HG3      MET  36  -8.811  -4.653  -0.705
  242    HE1  MET  36           HE1      MET  36  -5.203  -5.986  -1.560
  243    HE2  MET  36           HE2      MET  36  -5.628  -4.360  -1.024
  244    HE3  MET  36           HE3      MET  36  -6.399  -5.763  -0.283
  245    H    LEU  37           H        LEU  37  -7.584  -2.401   1.400
  246    HA   LEU  37           HA       LEU  37  -9.482  -4.036   2.731
  247    HB2  LEU  37           HB3      LEU  37  -7.012  -2.616   3.707
  248    HG   LEU  37           HG       LEU  37  -7.500  -5.535   3.124
  249   HD11  LEU  37          HD11      LEU  37  -5.733  -3.457   1.858
  250   HD12  LEU  37          HD12      LEU  37  -5.601  -5.189   1.551
  251   HD13  LEU  37          HD13      LEU  37  -7.074  -4.325   1.113
  252   HD21  LEU  37          HD21      LEU  37  -5.177  -5.861   3.825
  253   HD22  LEU  37          HD22      LEU  37  -5.084  -4.165   4.299
  254   HD23  LEU  37          HD23      LEU  37  -6.175  -5.259   5.151
  255    H    GLU  38           H        GLU  38  -8.466  -0.661   3.135
  256    HA   GLU  38           HA       GLU  38 -10.018   0.045   5.313
  257    HB2  GLU  38           HB3      GLU  38  -8.359   1.546   4.296
  258    HG2  GLU  38           HG3      GLU  38 -11.114   2.756   4.268
  259    H    ARG  39           H        ARG  39 -10.869   0.313   1.869
  260    HA   ARG  39           HA       ARG  39 -13.475   1.204   2.155
  261    HB2  ARG  39           HB3      ARG  39 -12.395   1.142  -0.010
  262    HG2  ARG  39           HG3      ARG  39 -14.733  -0.757  -0.013
  263    HD2  ARG  39           HD3      ARG  39 -13.632   0.971  -2.223
  264    HE   ARG  39           HE       ARG  39 -16.163  -0.048  -2.017
  265   HH11  ARG  39          HH12      ARG  39 -13.457  -0.524  -4.157
  266   HH12  ARG  39          HH11      ARG  39 -14.441  -0.901  -5.531
  267   HH21  ARG  39          HH21      ARG  39 -17.471  -0.548  -3.821
  268   HH22  ARG  39          HH22      ARG  39 -16.724  -0.916  -5.340
  269    H    MET  40           H        MET  40 -12.186  -2.082   2.270
  270    HA   MET  40           HA       MET  40 -14.663  -3.427   2.367
  271    HB2  MET  40           HB3      MET  40 -12.503  -4.535   1.884
  272    HG2  MET  40           HG3      MET  40 -12.764  -6.541   3.285
  273    HE1  MET  40           HE1      MET  40 -16.168  -8.207   2.299
  274    HE2  MET  40           HE2      MET  40 -14.540  -8.471   2.922
  275    HE3  MET  40           HE3      MET  40 -15.724  -7.599   3.894
  276    H    GLU  41           H        GLU  41 -12.376  -2.818   5.047
  277    HA   GLU  41           HA       GLU  41 -14.216  -3.483   7.079
  278    HB2  GLU  41           HB3      GLU  41 -11.637  -3.309   7.162
  279    HG2  GLU  41           HG3      GLU  41 -13.123  -3.775   9.143
  280    H    ALA  42           H        ALA  42 -13.888  -0.671   5.153
  281    HA   ALA  42           HA       ALA  42 -14.663   1.404   6.776
  282    HB1  ALA  42           HB1      ALA  42 -15.564   0.918   3.938
  283    HB2  ALA  42           HB2      ALA  42 -15.574   2.467   4.781
  284    HB3  ALA  42           HB3      ALA  42 -14.043   1.670   4.421
  285    H    MET  43           H        MET  43 -16.538  -1.311   5.732
  286    HA   MET  43           HA       MET  43 -19.071  -0.087   6.454
  287    HB2  MET  43           HB3      MET  43 -18.453  -2.932   5.640
  288    HG2  MET  43           HG3      MET  43 -19.601  -0.706   3.971
  289    HE1  MET  43           HE1      MET  43 -18.262  -1.765   1.270
  290    HE2  MET  43           HE2      MET  43 -19.579  -2.711   0.577
  291    HE3  MET  43           HE3      MET  43 -19.914  -1.152   1.331
  292    H    GLY  44           H        GLY  44 -16.644  -2.121   7.856
  293    HA2  GLY  44           HA2      GLY  44 -16.548  -2.214  10.284
  294    HA3  GLY  44           HA3      GLY  44 -18.306  -2.333  10.286
  295    H    LYS  45           H        LYS  45 -15.634  -4.069   8.670
  296    HA   LYS  45           HA       LYS  45 -17.007  -6.562   8.799
  297    HB2  LYS  45           HB3      LYS  45 -14.252  -5.708   7.992
  298    HG2  LYS  45           HG3      LYS  45 -14.817  -6.519   5.858
  299    HD2  LYS  45           HD3      LYS  45 -17.317  -5.266   6.989
  300    HE2  LYS  45           HE3      LYS  45 -17.596  -4.385   4.706
  301    HZ1  LYS  45           HZ1      LYS  45 -17.416  -7.347   4.818
  302    HZ2  LYS  45           HZ2      LYS  45 -18.270  -6.458   3.657
  303    HZ3  LYS  45           HZ3      LYS  45 -18.752  -6.418   5.277
  304    H    VAL  46           H        VAL  46 -13.707  -6.155  10.024
  305    HA   VAL  46           HA       VAL  46 -14.571  -7.032  12.666
  306    HB   VAL  46           HB       VAL  46 -12.489  -8.547  11.088
  307   HG11  VAL  46          HG11      VAL  46 -11.808  -8.487  13.367
  308   HG12  VAL  46          HG12      VAL  46 -13.450  -8.804  13.929
  309   HG13  VAL  46          HG13      VAL  46 -12.548 -10.062  13.088
  310   HG21  VAL  46          HG21      VAL  46 -15.217  -9.386  12.058
  311   HG22  VAL  46          HG22      VAL  46 -14.773  -9.052  10.385
  312   HG23  VAL  46          HG23      VAL  46 -14.049 -10.418  11.234
  313    H    VAL  47           H        VAL  47 -11.278  -7.099  11.298
  314    HA   VAL  47           HA       VAL  47 -10.651  -4.623  12.701
  315    HB   VAL  47           HB       VAL  47  -8.732  -5.614  13.880
  316   HG11  VAL  47          HG11      VAL  47 -10.819  -5.297  15.076
  317   HG12  VAL  47          HG12      VAL  47 -11.395  -6.873  14.535
  318   HG13  VAL  47          HG13      VAL  47 -10.018  -6.767  15.633
  319   HG21  VAL  47          HG21      VAL  47  -8.359  -7.545  12.436
  320   HG22  VAL  47          HG22      VAL  47  -8.560  -8.045  14.115
  321   HG23  VAL  47          HG23      VAL  47  -9.885  -8.250  12.970
  322    H    ARG  48           H        ARG  48  -8.936  -3.518  11.886
  323    HA   ARG  48           HA       ARG  48  -7.256  -4.796   9.867
  324    HB2  ARG  48           HB3      ARG  48  -7.578  -2.768   8.381
  325    HG2  ARG  48           HG3      ARG  48  -9.912  -1.767   8.610
  326    HD2  ARG  48           HD3      ARG  48  -7.877  -0.951  10.678
  327    HE   ARG  48           HE       ARG  48 -10.287   0.230  10.103
  328   HH11  ARG  48          HH12      ARG  48  -6.933   1.148   9.935
  329   HH12  ARG  48          HH11      ARG  48  -7.247   2.830  10.203
  330   HH21  ARG  48          HH21      ARG  48 -10.711   2.442  10.454
  331   HH22  ARG  48          HH22      ARG  48  -9.395   3.566  10.498
  332    H    ILE  49           H        ILE  49  -5.337  -3.498   9.332
  333    HA   ILE  49           HA       ILE  49  -4.646  -1.544  11.421
  334    HB   ILE  49           HB       ILE  49  -2.827  -3.760  10.470
  335   HG12  ILE  49          HG13      ILE  49  -4.638  -4.555  11.960
  336   HG21  ILE  49          HG21      ILE  49  -1.623  -1.713  10.990
  337   HG22  ILE  49          HG22      ILE  49  -2.420  -1.626  12.560
  338   HG23  ILE  49          HG23      ILE  49  -1.304  -2.947  12.210
  339   HD11  ILE  49          HD11      ILE  49  -4.760  -3.874  14.265
  340   HD12  ILE  49          HD12      ILE  49  -3.488  -2.679  14.009
  341   HD13  ILE  49          HD13      ILE  49  -5.050  -2.487  13.214
  342    H    SER  50           H        SER  50  -4.252   0.315  10.419
  343    HA   SER  50           HA       SER  50  -3.155   0.298   7.712
  344    HB2  SER  50           HB3      SER  50  -3.756   2.700   7.689
  345    HG   SER  50           HG       SER  50  -5.328   2.877   9.768
  346    H    GLU  51           H        GLU  51  -1.063   0.516   7.394
  347    HA   GLU  51           HA       GLU  51   0.487   2.220   9.219
  348    HB2  GLU  51           HB3      GLU  51   0.846  -0.168   9.799
  349    HG2  GLU  51           HG3      GLU  51   3.260   1.088   8.514
  350    H    THR  52           H        THR  52   2.208   3.332   8.280
  351    HA   THR  52           HA       THR  52   2.146   3.389   5.341
  352    HB   THR  52           HB       THR  52   1.572   5.524   6.314
  353    HG1  THR  52           HG1      THR  52   2.799   5.762   4.475
  354   HG21  THR  52          HG21      THR  52   3.160   6.756   7.735
  355   HG22  THR  52          HG22      THR  52   4.219   5.346   7.760
  356   HG23  THR  52          HG23      THR  52   2.620   5.260   8.499
  357    H    SER  53           H        SER  53   4.182   3.838   4.223
  358    HA   SER  53           HA       SER  53   6.474   2.612   5.613
  359    HB2  SER  53           HB3      SER  53   7.221   1.794   3.412
  360    HG   SER  53           HG       SER  53   4.829   2.249   2.160
  361    H    GLU  54           H        GLU  54   8.524   3.493   5.294
  362    HA   GLU  54           HA       GLU  54   8.519   6.312   4.621
  363    HB2  GLU  54           HB3      GLU  54  10.719   4.516   5.657
  364    HG2  GLU  54           HG3      GLU  54   8.954   4.878   7.302
  365    H    GLY  55           H        GLY  55  10.626   3.574   3.714
  366    HA2  GLY  55           HA2      GLY  55  11.102   2.987   1.449
  367    HA3  GLY  55           HA3      GLY  55  10.677   4.624   0.970
  368    H    CYS  56           H        CYS  56  12.720   4.030   3.725
  369    HA   CYS  56           HA       CYS  56  15.121   4.618   2.159
  370    HB2  CYS  56           HB3      CYS  56  14.252   6.209   4.582
  371    HG   CYS  56           HG       CYS  56  15.020   7.727   1.669
  372    H    LEU  57           H        LEU  57  14.085   4.268   5.559
  373    HA   LEU  57           HA       LEU  57  14.931   3.044   7.281
  374    HB2  LEU  57           HB3      LEU  57  15.555   1.176   4.996
  375    HG   LEU  57           HG       LEU  57  13.308   1.070   7.012
  376   HD11  LEU  57          HD11      LEU  57  11.895   1.302   4.943
  377   HD12  LEU  57          HD12      LEU  57  12.771   2.751   5.434
  378   HD13  LEU  57          HD13      LEU  57  13.364   1.775   4.089
  379   HD21  LEU  57          HD21      LEU  57  12.546  -0.859   5.722
  380   HD22  LEU  57          HD22      LEU  57  13.978  -0.745   4.699
  381   HD23  LEU  57          HD23      LEU  57  14.145  -1.140   6.409
  382    H    SER  58           H        SER  58  16.717   4.914   5.732
  383    HA   SER  58           HA       SER  58  19.347   3.743   5.966
  384    HB2  SER  58           HB3      SER  58  20.140   5.965   5.223
  385    HG   SER  58           HG       SER  58  18.857   7.543   5.775
  386    H    GLY  59           H        GLY  59  17.314   5.988   7.756
  387    HA2  GLY  59           HA2      GLY  59  19.041   5.657  10.075
  388    HA3  GLY  59           HA3      GLY  59  18.894   7.297   9.463
  389    H    SER  60           H        SER  60  16.302   7.566   8.826
  390    HA   SER  60           HA       SER  60  15.028   7.454  11.442
  391    HB2  SER  60           HB3      SER  60  14.162   8.825   8.884
  392    HG   SER  60           HG       SER  60  14.738  10.492  10.866
  393    H    CYS  61           H        CYS  61  13.111   6.425  11.888
  394    HA   CYS  61           HA       CYS  61  12.136   4.574   9.813
  395    HB2  CYS  61           HB3      CYS  61  12.182   4.179  12.813
  396    HG   CYS  61           HG       CYS  61  13.697   1.696  11.867
  397    H    LYS  62           H        LYS  62  10.886   5.638  12.973
  398    HA   LYS  62           HA       LYS  62   8.208   5.755  12.010
  399    HB2  LYS  62           HB3      LYS  62   9.466   6.746  14.570
  400    HG2  LYS  62           HG3      LYS  62   7.732   4.350  14.006
  401    HD2  LYS  62           HD3      LYS  62   7.248   5.370  16.188
  402    HE2  LYS  62           HE3      LYS  62   9.382   6.496  16.564
  403    HZ1  LYS  62           HZ1      LYS  62  10.466   3.768  17.013
  404    HZ2  LYS  62           HZ2      LYS  62  11.288   5.217  17.317
  405    HZ3  LYS  62           HZ3      LYS  62  10.875   4.795  15.733
  406    H    SER  63           H        SER  63  10.669   8.190  12.743
  407    HA   SER  63           HA       SER  63  10.772  10.433  12.329
  408    HB2  SER  63           HB3      SER  63  10.043  11.113  10.069
  409    HG   SER  63           HG       SER  63   8.578  10.021   9.037
  410    H    CYS  64           H        CYS  64   9.185  12.330  11.332
  411    HA   CYS  64           HA       CYS  64   7.120  12.546  13.326
  412    HB2  CYS  64           HB3      CYS  64   7.896  14.428  11.086
  413    HG   CYS  64           HG       CYS  64   9.680  13.753  13.595
  414    HA   PRO  65           HA       PRO  65   3.711  10.997  10.993
  415    HB2  PRO  65           HB3      PRO  65   1.741  12.670  11.974
  416    HG2  PRO  65           HG3      PRO  65   3.055  14.061  13.269
  417    HD2  PRO  65           HD3      PRO  65   5.262  13.560  13.759
  418    H    GLU  66           H        GLU  66   4.040  14.522  11.226
  419    HA   GLU  66           HA       GLU  66   3.865  16.176   9.677
  420    HB2  GLU  66           HB3      GLU  66   5.285  14.726   8.283
  421    HG2  GLU  66           HG3      GLU  66   3.089  15.970   6.645
  422    H    GLY  67           H        GLY  67   1.885  13.525   8.319
  423    HA2  GLY  67           HA2      GLY  67  -0.572  13.775   8.848
  424    HA3  GLY  67           HA3      GLY  67  -0.375  15.420   8.263
  425    H    LYS  68           H        LYS  68   0.999  15.238   6.001
  426    HA   LYS  68           HA       LYS  68  -0.869  13.896   4.240
  427    HB2  LYS  68           HB3      LYS  68  -0.103  16.210   3.785
  428    HG2  LYS  68           HG3      LYS  68   0.472  15.978   1.427
  429    HD2  LYS  68           HD3      LYS  68  -1.556  13.936   2.333
  430    HE2  LYS  68           HE3      LYS  68  -1.031  13.688  -0.024
  431    HZ1  LYS  68           HZ1      LYS  68  -1.409  15.530  -1.548
  432    HZ2  LYS  68           HZ2      LYS  68  -0.151  15.886  -0.474
  433    HZ3  LYS  68           HZ3      LYS  68  -1.677  16.578  -0.249
  434    H    ALA  69           H        ALA  69  -0.459  12.156   2.970
  435    HA   ALA  69           HA       ALA  69   2.125  11.188   2.351
  436    HB1  ALA  69           HB1      ALA  69   0.666   9.643   4.491
  437    HB2  ALA  69           HB2      ALA  69   2.172   9.169   3.705
  438    HB3  ALA  69           HB3      ALA  69   2.128  10.601   4.733
  439    H    ALA  70           H        ALA  70   1.761  10.403   0.390
  440    HA   ALA  70           HA       ALA  70  -0.813   9.466  -0.435
  441    HB1  ALA  70           HB1      ALA  70   1.830   9.376  -1.886
  442    HB2  ALA  70           HB2      ALA  70   0.245   9.093  -2.604
  443    HB3  ALA  70           HB3      ALA  70   0.650  10.685  -1.962
  444    H    CYS  71           H        CYS  71   2.354   7.916   0.038
  445    HA   CYS  71           HA       CYS  71   1.470   5.307  -0.624
  446    HB2  CYS  71           HB3      CYS  71   3.591   4.560   0.384
  447    HG   CYS  71           HG       CYS  71   5.392   7.001   1.033
  448    H    ARG  72           H        ARG  72   0.114   4.077   0.480
  449    HA   ARG  72           HA       ARG  72   0.352   3.865   3.365
  450    HB2  ARG  72           HB3      ARG  72  -2.098   4.196   3.695
  451    HG2  ARG  72           HG3      ARG  72  -2.052   5.465   0.967
  452    HD2  ARG  72           HD3      ARG  72  -4.393   4.872   2.749
  453    HE   ARG  72           HE       ARG  72  -4.309   5.760   0.143
  454   HH11  ARG  72          HH12      ARG  72  -5.587   6.906   3.174
  455   HH12  ARG  72          HH11      ARG  72  -6.892   7.778   2.441
  456   HH21  ARG  72          HH21      ARG  72  -6.021   6.905  -0.831
  457   HH22  ARG  72          HH22      ARG  72  -7.139   7.778   0.164
  458    H    GLN  73           H        GLN  73  -0.212   1.878   4.129
  459    HA   GLN  73           HA       GLN  73  -1.761   0.056   2.472
  460    HB2  GLN  73           HB3      GLN  73   0.049  -1.701   2.696
  461    HG2  GLN  73           HG3      GLN  73   1.621   0.712   3.524
  462   HE21  GLN  73          HE22      GLN  73   2.749  -2.562   3.467
  463   HE22  GLN  73          HE21      GLN  73   4.015  -2.326   2.317
  464    H    GLU  74           H        GLU  74  -3.148  -0.971   3.782
  465    HA   GLU  74           HA       GLU  74  -2.398  -1.254   6.616
  466    HB2  GLU  74           HB3      GLU  74  -4.791  -1.413   7.093
  467    HG2  GLU  74           HG3      GLU  74  -5.192  -0.936   4.152
  468    H    TRP  75           H        TRP  75  -3.806  -3.156   7.626
  469    HA   TRP  75           HA       TRP  75  -3.411  -5.537   5.941
  470    HB2  TRP  75           HB3      TRP  75  -2.957  -5.531   8.919
  471    HD1  TRP  75           HD1      TRP  75  -1.068  -4.657   5.676
  472    HE1  TRP  75           HE1      TRP  75   1.189  -3.602   6.320
  473    HE3  TRP  75           HE3      TRP  75  -1.266  -5.342  10.738
  474    HZ2  TRP  75           HZ2      TRP  75   2.689  -3.124   8.665
  475    HZ3  TRP  75           HZ3      TRP  75   0.619  -4.557  12.109
  476    HH2  TRP  75           HH2      TRP  75   2.556  -3.470  11.093
  477    H    TRP  76           H        TRP  76  -4.893  -7.217   6.203
  478    HA   TRP  76           HA       TRP  76  -7.369  -6.439   7.580
  479    HB2  TRP  76           HB3      TRP  76  -7.080  -7.194   5.020
  480    HD1  TRP  76           HD1      TRP  76  -9.222  -5.954   4.376
  481    HE1  TRP  76           HE1      TRP  76 -11.718  -6.157   4.975
  482    HE3  TRP  76           HE3      TRP  76  -8.903  -9.585   7.962
  483    HZ2  TRP  76           HZ2      TRP  76 -13.334  -7.658   6.733
  484    HZ3  TRP  76           HZ3      TRP  76 -10.973 -10.347   9.053
  485    HH2  TRP  76           HH2      TRP  76 -13.142  -9.402   8.451
  486    H    ALA  77           H        ALA  77  -7.977  -7.479   9.382
  487    HA   ALA  77           HA       ALA  77  -7.130 -10.238   9.809
  488    HB1  ALA  77           HB1      ALA  77  -6.551  -8.066  11.816
  489    HB2  ALA  77           HB2      ALA  77  -6.263  -9.791  12.038
  490    HB3  ALA  77           HB3      ALA  77  -5.356  -8.895  10.819
  491    H    LEU  78           H        LEU  78  -8.152 -11.196  11.762
  492    HA   LEU  78           HA       LEU  78 -10.879 -10.143  12.074
  493    HB2  LEU  78           HB3      LEU  78  -9.811 -12.950  12.387
  494    HG   LEU  78           HG       LEU  78 -11.665 -11.780  10.315
  495   HD11  LEU  78          HD11      LEU  78  -8.929 -13.015  10.229
  496   HD12  LEU  78          HD12      LEU  78  -9.953 -12.875   8.799
  497   HD13  LEU  78          HD13      LEU  78  -9.431 -11.425   9.658
  498   HD21  LEU  78          HD21      LEU  78 -11.825 -14.098   9.470
  499   HD22  LEU  78          HD22      LEU  78 -10.990 -14.655  10.921
  500   HD23  LEU  78          HD23      LEU  78 -12.573 -13.888  11.054
  501    H    ARG  79           H        ARG  79 -11.776 -11.375  14.279
  502    HA   ARG  79           HA       ARG  79 -10.680  -9.870  16.381
  503    HB2  ARG  79           HB3      ARG  79 -12.469 -12.303  16.521
  504    HG2  ARG  79           HG3      ARG  79 -13.154  -9.371  16.465
  505    HD2  ARG  79           HD3      ARG  79 -14.943 -11.770  16.845
  506    HE   ARG  79           HE       ARG  79 -15.714  -9.435  15.742
  507   HH11  ARG  79          HH12      ARG  79 -16.313 -10.905  18.840
  508   HH12  ARG  79          HH11      ARG  79 -17.872 -10.174  19.033
  509   HH21  ARG  79          HH21      ARG  79 -17.766  -8.464  15.985
  510   HH22  ARG  79          HH22      ARG  79 -18.698  -8.786  17.408
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -6.778  -4.323 -14.108
    2    H2   MET   1           H2       MET   1  -7.151  -5.877 -13.551
    3    H3   MET   1           H3       MET   1  -5.729  -5.115 -13.044
    4    HA   MET   1           HA       MET   1  -7.004  -3.422 -11.901
    5    HB2  MET   1           HB3      MET   1  -9.377  -5.110 -12.720
    6    HG2  MET   1           HG3      MET   1  -8.614  -3.667 -14.545
    7    HE1  MET   1           HE1      MET   1  -9.157  -1.778 -11.138
    8    HE2  MET   1           HE2      MET   1  -9.148  -0.096 -11.671
    9    HE3  MET   1           HE3      MET   1 -10.467  -1.166 -12.150
   10    H    ALA   2           H        ALA   2  -6.352  -3.866  -9.911
   11    HA   ALA   2           HA       ALA   2  -6.599  -6.584  -8.874
   12    HB1  ALA   2           HB1      ALA   2  -4.427  -5.456  -8.698
   13    HB2  ALA   2           HB2      ALA   2  -5.167  -4.199  -7.705
   14    HB3  ALA   2           HB3      ALA   2  -5.086  -5.858  -7.112
   15    H    SER   3           H        SER   3  -8.600  -6.945  -8.105
   16    HA   SER   3           HA       SER   3  -9.947  -4.907  -6.519
   17    HB2  SER   3           HB3      SER   3 -10.864  -7.632  -7.466
   18    HG   SER   3           HG       SER   3 -12.330  -6.106  -8.655
   19    H    LEU   4           H        LEU   4 -10.847  -5.401  -4.422
   20    HA   LEU   4           HA       LEU   4  -8.953  -6.642  -2.706
   21    HB2  LEU   4           HB3      LEU   4 -10.540  -6.115  -0.911
   22    HG   LEU   4           HG       LEU   4 -12.423  -5.513  -3.161
   23   HD11  LEU   4          HD11      LEU   4 -12.618  -6.875  -0.486
   24   HD12  LEU   4          HD12      LEU   4 -14.030  -6.448  -1.455
   25   HD13  LEU   4          HD13      LEU   4 -12.835  -7.576  -2.088
   26   HD21  LEU   4          HD21      LEU   4 -13.737  -4.106  -1.639
   27   HD22  LEU   4          HD22      LEU   4 -12.436  -4.186  -0.452
   28   HD23  LEU   4          HD23      LEU   4 -12.166  -3.394  -2.004
   29    H    MET   5           H        MET   5 -11.726  -7.794  -4.384
   30    HA   MET   5           HA       MET   5 -12.622  -9.851  -2.761
   31    HB2  MET   5           HB3      MET   5 -13.408 -10.935  -4.820
   32    HG2  MET   5           HG3      MET   5 -11.926  -8.783  -6.311
   33    HE1  MET   5           HE1      MET   5 -14.223 -11.999  -6.328
   34    HE2  MET   5           HE2      MET   5 -14.339 -12.305  -8.062
   35    HE3  MET   5           HE3      MET   5 -12.790 -12.481  -7.238
   36    H    GLU   6           H        GLU   6  -9.808  -9.726  -4.866
   37    HA   GLU   6           HA       GLU   6  -9.151 -12.455  -4.872
   38    HB2  GLU   6           HB3      GLU   6  -8.077 -10.161  -5.949
   39    HG2  GLU   6           HG3      GLU   6  -6.357 -11.544  -6.951
   40    H    VAL   7           H        VAL   7  -7.588  -9.884  -2.983
   41    HA   VAL   7           HA       VAL   7  -6.242 -11.599  -1.221
   42    HB   VAL   7           HB       VAL   7  -5.663  -9.212  -1.585
   43   HG11  VAL   7          HG11      VAL   7  -8.112  -8.695   0.100
   44   HG12  VAL   7          HG12      VAL   7  -6.910  -7.486  -0.352
   45   HG13  VAL   7          HG13      VAL   7  -7.892  -8.262  -1.595
   46   HG21  VAL   7          HG21      VAL   7  -6.216  -9.862   1.303
   47   HG22  VAL   7          HG22      VAL   7  -4.851 -10.480   0.373
   48   HG23  VAL   7          HG23      VAL   7  -4.997  -8.749   0.682
   49    H    ARG   8           H        ARG   8  -9.457 -10.302  -1.245
   50    HA   ARG   8           HA       ARG   8 -10.230 -10.565   1.395
   51    HB2  ARG   8           HB3      ARG   8 -11.683  -9.524  -0.198
   52    HG2  ARG   8           HG3      ARG   8 -12.944 -12.099   0.719
   53    HD2  ARG   8           HD3      ARG   8 -15.064 -10.819   0.528
   54    HE   ARG   8           HE       ARG   8 -13.843 -12.115  -1.524
   55   HH11  ARG   8          HH12      ARG   8 -15.926  -9.333  -1.299
   56   HH12  ARG   8          HH11      ARG   8 -16.636  -9.577  -2.860
   57   HH21  ARG   8          HH21      ARG   8 -14.779 -12.450  -3.578
   58   HH22  ARG   8          HH22      ARG   8 -15.987 -11.351  -4.155
   59    H    ASP   9           H        ASP   9 -10.756 -12.988  -1.178
   60    HA   ASP   9           HA       ASP   9 -11.589 -15.032   0.565
   61    HB2  ASP   9           HB3      ASP   9 -12.053 -15.032  -1.860
   62    H    MET  10           H        MET  10  -8.419 -14.338  -0.879
   63    HA   MET  10           HA       MET  10  -6.975 -16.522  -0.086
   64    HB2  MET  10           HB3      MET  10  -6.125 -13.626  -0.129
   65    HG2  MET  10           HG3      MET  10  -6.776 -14.487  -2.310
   66    HE1  MET  10           HE1      MET  10  -4.111 -16.692  -0.479
   67    HE2  MET  10           HE2      MET  10  -3.679 -17.858  -1.730
   68    HE3  MET  10           HE3      MET  10  -3.226 -16.164  -1.911
   69    H    LEU  11           H        LEU  11  -7.332 -13.538   1.844
   70    HA   LEU  11           HA       LEU  11  -6.162 -14.738   4.161
   71    HB2  LEU  11           HB3      LEU  11  -7.600 -12.144   3.675
   72    HG   LEU  11           HG       LEU  11  -4.755 -12.704   4.524
   73   HD11  LEU  11          HD11      LEU  11  -5.121 -13.245   2.186
   74   HD12  LEU  11          HD12      LEU  11  -5.863 -11.667   1.922
   75   HD13  LEU  11          HD13      LEU  11  -4.154 -11.779   2.340
   76   HD21  LEU  11          HD21      LEU  11  -4.444 -10.290   4.279
   77   HD22  LEU  11          HD22      LEU  11  -6.164 -10.103   3.939
   78   HD23  LEU  11          HD23      LEU  11  -5.635 -10.666   5.523
   79    H    ALA  12           H        ALA  12  -9.359 -14.484   2.866
   80    HA   ALA  12           HA       ALA  12 -10.943 -14.750   5.122
   81    HB1  ALA  12           HB1      ALA  12 -11.415 -16.048   2.444
   82    HB2  ALA  12           HB2      ALA  12 -12.632 -15.702   3.674
   83    HB3  ALA  12           HB3      ALA  12 -11.811 -14.378   2.849
   84    H    LEU  13           H        LEU  13  -9.198 -17.211   3.305
   85    HA   LEU  13           HA       LEU  13 -10.003 -19.210   5.308
   86    HB2  LEU  13           HB3      LEU  13  -9.019 -19.472   2.477
   87    HG   LEU  13           HG       LEU  13 -11.461 -20.761   3.676
   88   HD11  LEU  13          HD11      LEU  13 -11.922 -18.458   3.936
   89   HD12  LEU  13          HD12      LEU  13 -11.205 -18.064   2.373
   90   HD13  LEU  13          HD13      LEU  13 -12.724 -18.954   2.445
   91   HD21  LEU  13          HD21      LEU  13 -10.615 -20.170   0.846
   92   HD22  LEU  13          HD22      LEU  13 -10.579 -21.748   1.634
   93   HD23  LEU  13          HD23      LEU  13 -12.122 -20.948   1.330
   94    H    GLN  14           H        GLN  14  -7.892 -17.162   5.624
   95    HA   GLN  14           HA       GLN  14  -5.646 -18.997   6.128
   96    HB2  GLN  14           HB3      GLN  14  -5.178 -17.470   4.214
   97    HG2  GLN  14           HG3      GLN  14  -3.066 -16.468   5.101
   98   HE21  GLN  14          HE22      GLN  14  -1.227 -17.743   5.053
   99   HE22  GLN  14          HE21      GLN  14  -1.294 -19.456   4.833
  100    H    GLY  15           H        GLY  15  -6.452 -15.607   6.894
  101    HA2  GLY  15           HA2      GLY  15  -7.294 -15.450   9.341
  102    HA3  GLY  15           HA3      GLY  15  -5.725 -16.163   9.689
  103    H    ARG  16           H        ARG  16  -4.394 -14.673  10.473
  104    HA   ARG  16           HA       ARG  16  -4.732 -11.880   9.935
  105    HB2  ARG  16           HB3      ARG  16  -2.567 -13.411  11.381
  106    HG2  ARG  16           HG3      ARG  16  -3.494 -12.318  13.387
  107    HD2  ARG  16           HD3      ARG  16  -5.631 -13.870  11.947
  108    HE   ARG  16           HE       ARG  16  -5.432 -13.064  14.608
  109   HH11  ARG  16          HH12      ARG  16  -5.970 -15.973  12.774
  110   HH12  ARG  16          HH11      ARG  16  -6.915 -16.733  14.010
  111   HH21  ARG  16          HH21      ARG  16  -6.673 -14.055  16.243
  112   HH22  ARG  16          HH22      ARG  16  -7.314 -15.641  15.984
  113    H    MET  17           H        MET  17  -3.940 -10.768   8.274
  114    HA   MET  17           HA       MET  17  -1.337 -11.155   7.221
  115    HB2  MET  17           HB3      MET  17  -3.510 -12.669   6.009
  116    HG2  MET  17           HG3      MET  17  -0.549 -12.617   5.465
  117    HE1  MET  17           HE1      MET  17  -2.471 -12.428   3.072
  118    HE2  MET  17           HE2      MET  17  -0.773 -12.805   2.773
  119    HE3  MET  17           HE3      MET  17  -2.037 -13.779   2.024
  120    H    GLU  18           H        GLU  18  -1.152  -9.898   5.025
  121    HA   GLU  18           HA       GLU  18  -2.994  -7.625   4.953
  122    HB2  GLU  18           HB3      GLU  18  -1.214  -5.997   5.016
  123    HG2  GLU  18           HG3      GLU  18   0.674  -8.317   5.359
  124    H    ALA  19           H        ALA  19  -3.237  -6.710   2.946
  125    HA   ALA  19           HA       ALA  19  -2.558  -8.261   0.694
  126    HB1  ALA  19           HB1      ALA  19  -4.530  -6.813   0.775
  127    HB2  ALA  19           HB2      ALA  19  -3.484  -5.395   0.779
  128    HB3  ALA  19           HB3      ALA  19  -3.519  -6.458  -0.625
  129    H    LYS  20           H        LYS  20  -0.832  -5.815   2.384
  130    HA   LYS  20           HA       LYS  20   0.733  -4.603   0.493
  131    HB2  LYS  20           HB3      LYS  20   0.902  -3.984   2.806
  132    HG2  LYS  20           HG3      LYS  20   3.543  -5.195   2.021
  133    HD2  LYS  20           HD3      LYS  20   2.850  -2.917   3.874
  134    HE2  LYS  20           HE3      LYS  20   4.900  -2.453   2.660
  135    HZ1  LYS  20           HZ1      LYS  20   5.811  -5.111   3.622
  136    HZ2  LYS  20           HZ2      LYS  20   6.790  -3.961   2.861
  137    HZ3  LYS  20           HZ3      LYS  20   5.518  -4.682   2.013
  138    H    GLN  21           H        GLN  21   1.426  -7.706   2.099
  139    HA   GLN  21           HA       GLN  21   3.806  -8.304   0.801
  140    HB2  GLN  21           HB3      GLN  21   1.669 -10.272   1.645
  141    HG2  GLN  21           HG3      GLN  21   2.335  -8.747   3.487
  142   HE21  GLN  21          HE22      GLN  21   4.329  -9.946   5.254
  143   HE22  GLN  21          HE21      GLN  21   5.846  -9.257   4.795
  144    H    LEU  22           H        LEU  22   0.533  -9.412  -0.071
  145    HA   LEU  22           HA       LEU  22   1.288 -10.634  -2.492
  146    HB2  LEU  22           HB3      LEU  22  -1.407  -9.475  -1.782
  147    HG   LEU  22           HG       LEU  22  -0.791 -11.045  -0.026
  148   HD11  LEU  22          HD11      LEU  22  -2.613 -12.648  -0.293
  149   HD12  LEU  22          HD12      LEU  22  -3.103 -11.030  -0.791
  150   HD13  LEU  22          HD13      LEU  22  -2.719 -12.247  -2.008
  151   HD21  LEU  22          HD21      LEU  22  -0.270 -12.981  -2.279
  152   HD22  LEU  22          HD22      LEU  22   0.938 -12.280  -1.202
  153   HD23  LEU  22          HD23      LEU  22  -0.280 -13.384  -0.562
  154    H    SER  23           H        SER  23   0.618  -7.334  -1.661
  155    HA   SER  23           HA       SER  23  -0.019  -6.322  -4.203
  156    HB2  SER  23           HB3      SER  23  -0.353  -5.031  -2.139
  157    HG   SER  23           HG       SER  23   1.527  -3.469  -3.452
  158    H    ALA  24           H        ALA  24   3.113  -6.544  -2.526
  159    HA   ALA  24           HA       ALA  24   4.570  -5.538  -4.782
  160    HB1  ALA  24           HB1      ALA  24   6.562  -6.066  -3.469
  161    HB2  ALA  24           HB2      ALA  24   5.375  -5.188  -2.506
  162    HB3  ALA  24           HB3      ALA  24   5.566  -6.928  -2.298
  163    H    ARG  25           H        ARG  25   3.784  -8.711  -3.493
  164    HA   ARG  25           HA       ARG  25   5.580 -10.187  -5.114
  165    HB2  ARG  25           HB3      ARG  25   4.594 -11.135  -3.086
  166    HG2  ARG  25           HG3      ARG  25   3.703 -12.636  -5.542
  167    HD2  ARG  25           HD3      ARG  25   4.225 -13.599  -2.732
  168    HE   ARG  25           HE       ARG  25   4.139 -15.061  -5.168
  169   HH11  ARG  25          HH12      ARG  25   3.158 -15.159  -1.829
  170   HH12  ARG  25          HH11      ARG  25   3.139 -16.888  -1.749
  171   HH21  ARG  25          HH21      ARG  25   4.120 -17.340  -5.076
  172   HH22  ARG  25          HH22      ARG  25   3.686 -18.130  -3.597
  173    H    LEU  26           H        LEU  26   2.448  -8.805  -5.672
  174    HA   LEU  26           HA       LEU  26   2.395 -10.070  -8.333
  175    HB2  LEU  26           HB3      LEU  26   0.036  -9.135  -6.699
  176    HG   LEU  26           HG       LEU  26   0.835 -11.214  -5.743
  177   HD11  LEU  26          HD11      LEU  26  -1.551 -11.644  -7.535
  178   HD12  LEU  26          HD12      LEU  26  -1.134 -12.613  -6.121
  179   HD13  LEU  26          HD13      LEU  26  -1.571 -10.915  -5.928
  180   HD21  LEU  26          HD21      LEU  26   1.037 -13.242  -7.098
  181   HD22  LEU  26          HD22      LEU  26   0.714 -12.302  -8.554
  182   HD23  LEU  26          HD23      LEU  26   2.177 -11.999  -7.617
  183    H    GLN  27           H        GLN  27   3.353  -7.340  -7.062
  184    HA   GLN  27           HA       GLN  27   3.521  -5.177  -7.730
  185    HB2  GLN  27           HB3      GLN  27   2.597  -6.325 -10.370
  186    HG2  GLN  27           HG3      GLN  27   4.629  -7.412  -9.678
  187   HE21  GLN  27          HE22      GLN  27   6.119  -4.389 -10.528
  188   HE22  GLN  27          HE21      GLN  27   7.039  -4.202  -9.079
  189    H    THR  28           H        THR  28   2.109  -3.894  -6.745
  190    HA   THR  28           HA       THR  28  -0.296  -3.111  -8.092
  191    HB   THR  28           HB       THR  28  -0.561  -4.497  -5.415
  192    HG1  THR  28           HG1      THR  28  -1.751  -5.208  -7.900
  193   HG21  THR  28          HG21      THR  28  -2.916  -4.024  -5.559
  194   HG22  THR  28          HG22      THR  28  -2.714  -3.281  -7.146
  195   HG23  THR  28          HG23      THR  28  -2.031  -2.506  -5.717
  196    HA   PRO  29           HA       PRO  29   0.837   0.742  -6.242
  197    HB2  PRO  29           HB3      PRO  29  -1.801   1.655  -5.862
  198    HG2  PRO  29           HG3      PRO  29  -2.924  -0.041  -6.914
  199    HD2  PRO  29           HD3      PRO  29  -1.804  -1.768  -7.965
  200    H    GLN  30           H        GLN  30   1.117   1.542  -4.224
  201    HA   GLN  30           HA       GLN  30   0.284  -0.092  -2.023
  202    HB2  GLN  30           HB3      GLN  30   1.861   2.482  -2.111
  203    HG2  GLN  30           HG3      GLN  30   2.746  -0.352  -1.629
  204   HE21  GLN  30          HE22      GLN  30   4.541   2.271  -3.024
  205   HE22  GLN  30          HE21      GLN  30   5.693   2.432  -1.747
  206    HA   PRO  31           HA       PRO  31  -2.052   4.105  -0.901
  207    HB2  PRO  31           HB3      PRO  31  -2.897   4.799  -3.661
  208    HG2  PRO  31           HG3      PRO  31  -0.785   5.417  -4.404
  209    HD2  PRO  31           HD3      PRO  31  -0.572   3.115  -4.407
  210    H    LEU  32           H        LEU  32  -2.906   2.072  -3.652
  211    HA   LEU  32           HA       LEU  32  -5.704   2.091  -3.224
  212    HB2  LEU  32           HB3      LEU  32  -4.662   1.465  -5.356
  213    HG   LEU  32           HG       LEU  32  -6.029  -0.322  -6.030
  214   HD11  LEU  32          HD11      LEU  32  -6.646  -2.148  -4.790
  215   HD12  LEU  32          HD12      LEU  32  -5.084  -1.774  -4.065
  216   HD13  LEU  32          HD13      LEU  32  -6.573  -1.276  -3.262
  217   HD21  LEU  32          HD21      LEU  32  -7.280   1.633  -5.250
  218   HD22  LEU  32          HD22      LEU  32  -8.184   0.140  -5.003
  219   HD23  LEU  32          HD23      LEU  32  -7.383   0.922  -3.640
  220    H    ILE  33           H        ILE  33  -3.088   0.040  -2.068
  221    HA   ILE  33           HA       ILE  33  -4.437  -2.108  -1.027
  222    HB   ILE  33           HB       ILE  33  -2.132  -0.676   0.302
  223   HG12  ILE  33          HG13      ILE  33  -1.602  -1.233  -2.005
  224   HG21  ILE  33          HG21      ILE  33  -3.146  -2.233   1.825
  225   HG22  ILE  33          HG22      ILE  33  -3.174  -3.490   0.587
  226   HG23  ILE  33          HG23      ILE  33  -1.634  -2.924   1.233
  227   HD11  ILE  33          HD11      ILE  33  -2.402  -4.054  -1.338
  228   HD12  ILE  33          HD12      ILE  33  -3.252  -2.967  -2.437
  229   HD13  ILE  33          HD13      ILE  33  -1.621  -3.519  -2.827
  230    H    ASP  34           H        ASP  34  -3.734   0.928   0.729
  231    HA   ASP  34           HA       ASP  34  -4.993   0.369   3.104
  232    HB2  ASP  34           HB3      ASP  34  -3.725   2.413   2.795
  233    H    ALA  35           H        ALA  35  -6.439   1.488   0.093
  234    HA   ALA  35           HA       ALA  35  -9.084   1.684   1.198
  235    HB1  ALA  35           HB1      ALA  35  -8.204   1.642  -1.687
  236    HB2  ALA  35           HB2      ALA  35  -9.788   2.134  -1.084
  237    HB3  ALA  35           HB3      ALA  35  -8.357   3.087  -0.685
  238    H    MET  36           H        MET  36  -7.147  -0.775  -0.278
  239    HA   MET  36           HA       MET  36  -9.197  -2.481  -1.197
  240    HB2  MET  36           HB3      MET  36  -6.795  -2.667  -1.831
  241    HG2  MET  36           HG3      MET  36  -7.918  -5.174  -0.605
  242    HE1  MET  36           HE1      MET  36  -6.280  -4.315  -4.071
  243    HE2  MET  36           HE2      MET  36  -5.267  -3.436  -2.924
  244    HE3  MET  36           HE3      MET  36  -4.610  -4.817  -3.803
  245    H    LEU  37           H        LEU  37  -7.276  -2.588   1.803
  246    HA   LEU  37           HA       LEU  37  -8.898  -4.644   2.952
  247    HB2  LEU  37           HB3      LEU  37  -6.866  -2.798   4.202
  248    HG   LEU  37           HG       LEU  37  -5.477  -4.887   4.362
  249   HD11  LEU  37          HD11      LEU  37  -7.492  -5.905   2.364
  250   HD12  LEU  37          HD12      LEU  37  -5.969  -6.691   2.782
  251   HD13  LEU  37          HD13      LEU  37  -7.236  -6.522   3.996
  252   HD21  LEU  37          HD21      LEU  37  -5.185  -3.052   2.667
  253   HD22  LEU  37          HD22      LEU  37  -4.535  -4.625   2.210
  254   HD23  LEU  37          HD23      LEU  37  -6.064  -4.073   1.528
  255    H    GLU  38           H        GLU  38  -8.563  -1.143   3.485
  256    HA   GLU  38           HA       GLU  38 -10.405  -0.843   5.534
  257    HB2  GLU  38           HB3      GLU  38  -8.987   0.993   4.822
  258    HG2  GLU  38           HG3      GLU  38 -10.542   2.840   4.701
  259    H    ARG  39           H        ARG  39 -10.929  -1.017   2.045
  260    HA   ARG  39           HA       ARG  39 -13.691  -0.424   2.093
  261    HB2  ARG  39           HB3      ARG  39 -12.409  -0.287   0.032
  262    HG2  ARG  39           HG3      ARG  39 -13.800  -1.556  -1.520
  263    HD2  ARG  39           HD3      ARG  39 -15.994  -0.726  -0.815
  264    HE   ARG  39           HE       ARG  39 -13.718   0.952  -0.920
  265   HH11  ARG  39          HH12      ARG  39 -17.088   0.952  -0.043
  266   HH12  ARG  39          HH11      ARG  39 -17.305   2.641  -0.360
  267   HH21  ARG  39          HH21      ARG  39 -13.992   3.178  -1.341
  268   HH22  ARG  39          HH22      ARG  39 -15.545   3.907  -1.097
  269    H    MET  40           H        MET  40 -11.984  -3.550   1.861
  270    HA   MET  40           HA       MET  40 -14.229  -5.193   1.953
  271    HB2  MET  40           HB3      MET  40 -12.033  -6.061   1.383
  272    HG2  MET  40           HG3      MET  40 -13.009  -7.341   3.928
  273    HE1  MET  40           HE1      MET  40 -10.506  -7.812   4.745
  274    HE2  MET  40           HE2      MET  40  -9.267  -8.529   3.715
  275    HE3  MET  40           HE3      MET  40  -9.887  -6.915   3.358
  276    H    GLU  41           H        GLU  41 -12.342  -3.758   4.565
  277    HA   GLU  41           HA       GLU  41 -13.903  -5.048   6.627
  278    HB2  GLU  41           HB3      GLU  41 -11.477  -4.484   6.882
  279    HG2  GLU  41           HG3      GLU  41 -13.034  -4.722   8.875
  280    H    ALA  42           H        ALA  42 -14.067  -2.152   4.774
  281    HA   ALA  42           HA       ALA  42 -15.324  -0.351   6.423
  282    HB1  ALA  42           HB1      ALA  42 -14.657   0.172   4.140
  283    HB2  ALA  42           HB2      ALA  42 -15.930  -0.875   3.516
  284    HB3  ALA  42           HB3      ALA  42 -16.349   0.589   4.409
  285    H    MET  43           H        MET  43 -16.671  -3.213   4.900
  286    HA   MET  43           HA       MET  43 -19.391  -2.590   5.510
  287    HB2  MET  43           HB3      MET  43 -19.906  -4.806   4.768
  288    HG2  MET  43           HG3      MET  43 -16.971  -5.403   5.052
  289    HE1  MET  43           HE1      MET  43 -20.155  -8.019   2.971
  290    HE2  MET  43           HE2      MET  43 -20.222  -7.614   4.687
  291    HE3  MET  43           HE3      MET  43 -20.424  -6.349   3.474
  292    H    GLY  44           H        GLY  44 -16.755  -4.069   7.215
  293    HA2  GLY  44           HA2      GLY  44 -16.985  -3.936   9.679
  294    HA3  GLY  44           HA3      GLY  44 -18.589  -4.626   9.466
  295    H    LYS  45           H        LYS  45 -15.298  -5.456   8.323
  296    HA   LYS  45           HA       LYS  45 -15.813  -8.253   8.510
  297    HB2  LYS  45           HB3      LYS  45 -13.279  -6.666   8.121
  298    HG2  LYS  45           HG3      LYS  45 -14.802  -6.714   6.206
  299    HD2  LYS  45           HD3      LYS  45 -14.453  -9.702   6.400
  300    HE2  LYS  45           HE3      LYS  45 -15.813  -8.016   4.301
  301    HZ1  LYS  45           HZ1      LYS  45 -16.241 -10.147   3.222
  302    HZ2  LYS  45           HZ2      LYS  45 -17.034 -10.044   4.714
  303    HZ3  LYS  45           HZ3      LYS  45 -15.624 -10.968   4.566
  304    H    VAL  46           H        VAL  46 -13.039  -6.726  10.088
  305    HA   VAL  46           HA       VAL  46 -13.944  -7.537  12.712
  306    HB   VAL  46           HB       VAL  46 -11.485  -8.816  11.502
  307   HG11  VAL  46          HG11      VAL  46 -12.590  -9.131  14.290
  308   HG12  VAL  46          HG12      VAL  46 -11.135  -9.876  13.632
  309   HG13  VAL  46          HG13      VAL  46 -11.199  -8.131  13.875
  310   HG21  VAL  46          HG21      VAL  46 -14.094  -9.991  12.450
  311   HG22  VAL  46          HG22      VAL  46 -13.526  -9.897  10.782
  312   HG23  VAL  46          HG23      VAL  46 -12.685 -10.922  11.944
  313    H    VAL  47           H        VAL  47 -10.589  -7.137  11.608
  314    HA   VAL  47           HA       VAL  47 -10.532  -4.425  12.678
  315    HB   VAL  47           HB       VAL  47 -10.005  -5.852  14.611
  316   HG11  VAL  47          HG11      VAL  47  -7.680  -6.799  12.938
  317   HG12  VAL  47          HG12      VAL  47  -7.943  -7.173  14.641
  318   HG13  VAL  47          HG13      VAL  47  -9.074  -7.765  13.425
  319   HG21  VAL  47          HG21      VAL  47  -7.911  -4.762  15.245
  320   HG22  VAL  47          HG22      VAL  47  -7.622  -4.325  13.562
  321   HG23  VAL  47          HG23      VAL  47  -8.992  -3.634  14.431
  322    H    ARG  48           H        ARG  48  -8.630  -3.240  12.105
  323    HA   ARG  48           HA       ARG  48  -6.790  -4.449  10.216
  324    HB2  ARG  48           HB3      ARG  48  -7.250  -2.434   8.638
  325    HG2  ARG  48           HG3      ARG  48  -9.559  -1.744   8.494
  326    HD2  ARG  48           HD3      ARG  48  -8.607  -1.276  11.310
  327    HE   ARG  48           HE       ARG  48 -10.753  -0.162   9.920
  328   HH11  ARG  48          HH12      ARG  48  -7.954   0.879  11.710
  329   HH12  ARG  48          HH11      ARG  48  -8.687   2.354  12.251
  330   HH21  ARG  48          HH21      ARG  48 -11.726   1.780  10.622
  331   HH22  ARG  48          HH22      ARG  48 -10.831   2.866  11.632
  332    H    ILE  49           H        ILE  49  -5.020  -2.948   9.610
  333    HA   ILE  49           HA       ILE  49  -4.661  -0.703  11.459
  334    HB   ILE  49           HB       ILE  49  -2.593  -2.875  11.103
  335   HG12  ILE  49          HG13      ILE  49  -4.236  -2.143  13.537
  336   HG21  ILE  49          HG21      ILE  49  -2.582  -0.380  12.798
  337   HG22  ILE  49          HG22      ILE  49  -1.343  -1.636  12.816
  338   HG23  ILE  49          HG23      ILE  49  -1.602  -0.674  11.360
  339   HD11  ILE  49          HD11      ILE  49  -2.033  -2.988  14.147
  340   HD12  ILE  49          HD12      ILE  49  -3.308  -4.134  14.559
  341   HD13  ILE  49          HD13      ILE  49  -2.300  -4.409  13.138
  342    H    SER  50           H        SER  50  -4.176   1.006  10.260
  343    HA   SER  50           HA       SER  50  -2.875   0.629   7.670
  344    HB2  SER  50           HB3      SER  50  -3.548   2.966   7.229
  345    HG   SER  50           HG       SER  50  -5.241   3.528   9.058
  346    H    GLU  51           H        GLU  51  -0.761   0.843   7.511
  347    HA   GLU  51           HA       GLU  51   0.623   2.644   9.389
  348    HB2  GLU  51           HB3      GLU  51   1.235   0.275   9.657
  349    HG2  GLU  51           HG3      GLU  51   3.455   1.858   8.385
  350    H    THR  52           H        THR  52   2.246   4.003   8.606
  351    HA   THR  52           HA       THR  52   1.898   4.822   5.859
  352    HB   THR  52           HB       THR  52   2.129   6.527   7.606
  353    HG1  THR  52           HG1      THR  52   3.935   7.676   6.544
  354   HG21  THR  52          HG21      THR  52   4.938   5.463   7.927
  355   HG22  THR  52          HG22      THR  52   3.636   5.307   9.106
  356   HG23  THR  52          HG23      THR  52   4.281   6.901   8.709
  357    H    SER  53           H        SER  53   3.934   5.396   4.581
  358    HA   SER  53           HA       SER  53   5.282   3.140   3.800
  359    HB2  SER  53           HB3      SER  53   6.287   5.994   3.671
  360    HG   SER  53           HG       SER  53   5.453   5.452   1.381
  361    H    GLU  54           H        GLU  54   7.668   2.720   3.922
  362    HA   GLU  54           HA       GLU  54   9.534   2.182   5.111
  363    HB2  GLU  54           HB3      GLU  54   9.748   4.621   5.409
  364    HG2  GLU  54           HG3      GLU  54  10.415   3.135   7.938
  365    H    GLY  55           H        GLY  55  10.195   1.041   7.017
  366    HA2  GLY  55           HA2      GLY  55   7.931   0.321   8.775
  367    HA3  GLY  55           HA3      GLY  55   9.065  -0.871   8.159
  368    H    CYS  56           H        CYS  56   8.287   0.139  10.924
  369    HA   CYS  56           HA       CYS  56   9.318   0.327  12.944
  370    HB2  CYS  56           HB3      CYS  56  11.837  -0.300  11.390
  371    HG   CYS  56           HG       CYS  56   9.444  -2.269  11.571
  372    H    LEU  57           H        LEU  57  11.357   1.531  13.993
  373    HA   LEU  57           HA       LEU  57  12.349   3.521  14.457
  374    HB2  LEU  57           HB3      LEU  57  12.142   3.916  11.471
  375    HG   LEU  57           HG       LEU  57  14.479   3.020  13.161
  376   HD11  LEU  57          HD11      LEU  57  14.409   1.099  11.504
  377   HD12  LEU  57          HD12      LEU  57  13.133   1.143  12.721
  378   HD13  LEU  57          HD13      LEU  57  12.796   1.668  11.072
  379   HD21  LEU  57          HD21      LEU  57  14.353   3.732  10.233
  380   HD22  LEU  57          HD22      LEU  57  15.219   4.614  11.490
  381   HD23  LEU  57          HD23      LEU  57  15.730   2.987  11.045
  382    H    SER  58           H        SER  58  11.158   4.867  15.613
  383    HA   SER  58           HA       SER  58   8.791   6.102  14.396
  384    HB2  SER  58           HB3      SER  58   8.108   6.611  16.717
  385    HG   SER  58           HG       SER  58   9.774   5.039  18.049
  386    H    GLY  59           H        GLY  59  11.598   6.964  13.954
  387    HA2  GLY  59           HA2      GLY  59  11.942   9.424  15.402
  388    HA3  GLY  59           HA3      GLY  59  12.908   8.866  14.045
  389    H    SER  60           H        SER  60  10.009   8.563  12.756
  390    HA   SER  60           HA       SER  60  10.036  11.298  11.691
  391    HB2  SER  60           HB3      SER  60   8.812  10.368   9.765
  392    HG   SER  60           HG       SER  60   8.841   7.937   9.774
  393    H    CYS  61           H        CYS  61   8.603  12.629  12.558
  394    HA   CYS  61           HA       CYS  61   6.245  11.656  13.898
  395    HB2  CYS  61           HB3      CYS  61   7.207  14.473  13.366
  396    HG   CYS  61           HG       CYS  61   7.135  13.542  16.537
  397    H    LYS  62           H        LYS  62   4.148  12.996  13.464
  398    HA   LYS  62           HA       LYS  62   3.481  12.547  10.672
  399    HB2  LYS  62           HB3      LYS  62   1.975  11.698  12.415
  400    HG2  LYS  62           HG3      LYS  62  -0.147  12.601  11.659
  401    HD2  LYS  62           HD3      LYS  62   1.841  12.448   9.396
  402    HE2  LYS  62           HE3      LYS  62  -0.340  13.284   8.692
  403    HZ1  LYS  62           HZ1      LYS  62  -1.690  12.336  10.464
  404    HZ2  LYS  62           HZ2      LYS  62  -1.427  10.777   9.857
  405    HZ3  LYS  62           HZ3      LYS  62  -2.297  11.905   8.945
  406    H    SER  63           H        SER  63   4.150  14.182   9.397
  407    HA   SER  63           HA       SER  63   2.794  16.686   9.545
  408    HB2  SER  63           HB3      SER  63   5.770  16.666  10.108
  409    HG   SER  63           HG       SER  63   5.051  17.782  12.012
  410    H    CYS  64           H        CYS  64   2.255  16.814   7.467
  411    HA   CYS  64           HA       CYS  64   4.390  16.524   5.461
  412    HB2  CYS  64           HB3      CYS  64   1.520  15.604   5.196
  413    HG   CYS  64           HG       CYS  64   4.383  13.891   5.783
  414    HA   PRO  65           HA       PRO  65   3.212  20.534   4.050
  415    HB2  PRO  65           HB3      PRO  65   3.866  20.353   1.418
  416    HG2  PRO  65           HG3      PRO  65   4.159  18.055   1.261
  417    HD2  PRO  65           HD3      PRO  65   4.411  16.725   3.132
  418    H    GLU  66           H        GLU  66   2.252  17.909   1.836
  419    HA   GLU  66           HA       GLU  66  -0.488  18.788   1.893
  420    HB2  GLU  66           HB3      GLU  66  -0.676  19.154  -0.535
  421    HG2  GLU  66           HG3      GLU  66   2.332  19.052  -0.544
  422    H    GLY  67           H        GLY  67  -1.670  17.455  -0.030
  423    HA2  GLY  67           HA2      GLY  67  -0.956  14.677   0.541
  424    HA3  GLY  67           HA3      GLY  67  -2.486  15.240  -0.116
  425    H    LYS  68           H        LYS  68   0.964  15.305  -1.023
  426    HA   LYS  68           HA       LYS  68   0.184  14.875  -3.811
  427    HB2  LYS  68           HB3      LYS  68   1.735  16.711  -3.383
  428    HG2  LYS  68           HG3      LYS  68   3.166  14.415  -4.702
  429    HD2  LYS  68           HD3      LYS  68   3.567  17.394  -4.961
  430    HE2  LYS  68           HE3      LYS  68   5.457  16.792  -6.390
  431    HZ1  LYS  68           HZ1      LYS  68   4.208  16.011  -8.312
  432    HZ2  LYS  68           HZ2      LYS  68   3.354  17.214  -7.481
  433    HZ3  LYS  68           HZ3      LYS  68   2.905  15.591  -7.320
  434    H    ALA  69           H        ALA  69   0.993  13.174  -5.047
  435    HA   ALA  69           HA       ALA  69   1.758  11.078  -5.508
  436    HB1  ALA  69           HB1      ALA  69   3.860  11.872  -4.488
  437    HB2  ALA  69           HB2      ALA  69   3.288  11.302  -2.920
  438    HB3  ALA  69           HB3      ALA  69   3.582  10.151  -4.225
  439    H    ALA  70           H        ALA  70   1.391  11.158  -1.955
  440    HA   ALA  70           HA       ALA  70   0.049   9.976  -0.542
  441    HB1  ALA  70           HB1      ALA  70  -1.764  10.674  -2.072
  442    HB2  ALA  70           HB2      ALA  70  -1.506   9.201  -3.007
  443    HB3  ALA  70           HB3      ALA  70  -2.055   9.100  -1.334
  444    H    CYS  71           H        CYS  71   0.430   8.075   0.427
  445    HA   CYS  71           HA       CYS  71   0.592   5.598  -0.965
  446    HB2  CYS  71           HB3      CYS  71   2.772   6.477  -1.635
  447    HG   CYS  71           HG       CYS  71   2.571   3.763   0.309
  448    H    ARG  72           H        ARG  72  -0.290   4.245   0.431
  449    HA   ARG  72           HA       ARG  72   0.719   4.038   3.131
  450    HB2  ARG  72           HB3      ARG  72  -1.547   4.244   4.150
  451    HG2  ARG  72           HG3      ARG  72  -2.345   5.589   1.585
  452    HD2  ARG  72           HD3      ARG  72  -4.564   5.571   2.597
  453    HE   ARG  72           HE       ARG  72  -2.444   7.084   3.748
  454   HH11  ARG  72          HH12      ARG  72  -5.826   6.321   4.055
  455   HH12  ARG  72          HH11      ARG  72  -6.222   7.802   4.861
  456   HH21  ARG  72          HH21      ARG  72  -2.955   9.041   4.809
  457   HH22  ARG  72          HH22      ARG  72  -4.591   9.349   5.288
  458    H    GLN  73           H        GLN  73   0.002   2.115   4.217
  459    HA   GLN  73           HA       GLN  73  -1.542   0.196   2.657
  460    HB2  GLN  73           HB3      GLN  73   0.221  -1.538   2.908
  461    HG2  GLN  73           HG3      GLN  73   1.773   0.764   4.012
  462   HE21  GLN  73          HE22      GLN  73   4.019   0.689   4.052
  463   HE22  GLN  73          HE21      GLN  73   4.929  -0.214   2.894
  464    H    GLU  74           H        GLU  74  -2.820  -1.015   3.959
  465    HA   GLU  74           HA       GLU  74  -2.186  -0.972   6.835
  466    HB2  GLU  74           HB3      GLU  74  -4.552  -1.089   7.300
  467    HG2  GLU  74           HG3      GLU  74  -4.961  -1.123   4.321
  468    H    TRP  75           H        TRP  75  -3.279  -2.792   8.059
  469    HA   TRP  75           HA       TRP  75  -2.893  -5.324   6.603
  470    HB2  TRP  75           HB3      TRP  75  -1.130  -4.981   8.249
  471    HD1  TRP  75           HD1      TRP  75  -4.172  -6.975   9.647
  472    HE1  TRP  75           HE1      TRP  75  -3.412  -9.409   9.995
  473    HE3  TRP  75           HE3      TRP  75   0.674  -6.547   8.075
  474    HZ2  TRP  75           HZ2      TRP  75  -1.068 -10.945   9.652
  475    HZ3  TRP  75           HZ3      TRP  75   2.109  -8.545   8.117
  476    HH2  TRP  75           HH2      TRP  75   1.255 -10.698   8.892
  477    H    TRP  76           H        TRP  76  -4.389  -6.960   6.918
  478    HA   TRP  76           HA       TRP  76  -6.790  -6.188   8.441
  479    HB2  TRP  76           HB3      TRP  76  -7.194  -6.302   6.019
  480    HD1  TRP  76           HD1      TRP  76  -9.325  -6.086   8.069
  481    HE1  TRP  76           HE1      TRP  76 -11.430  -7.567   8.125
  482    HE3  TRP  76           HE3      TRP  76  -7.619 -10.030   5.300
  483    HZ2  TRP  76           HZ2      TRP  76 -12.258 -10.072   7.126
  484    HZ3  TRP  76           HZ3      TRP  76  -9.132 -11.928   4.895
  485    HH2  TRP  76           HH2      TRP  76 -11.402 -11.947   5.790
  486    H    ALA  77           H        ALA  77  -7.498  -7.503  10.004
  487    HA   ALA  77           HA       ALA  77  -6.554 -10.270  10.097
  488    HB1  ALA  77           HB1      ALA  77  -5.893 -10.068  12.442
  489    HB2  ALA  77           HB2      ALA  77  -4.935  -9.009  11.409
  490    HB3  ALA  77           HB3      ALA  77  -6.237  -8.340  12.392
  491    H    LEU  78           H        LEU  78  -7.855 -11.671  11.295
  492    HA   LEU  78           HA       LEU  78 -10.513 -10.592  11.939
  493    HB2  LEU  78           HB3      LEU  78  -9.724 -13.415  11.216
  494    HG   LEU  78           HG       LEU  78 -11.183 -11.350   9.570
  495   HD11  LEU  78          HD11      LEU  78  -8.913 -11.013   9.209
  496   HD12  LEU  78          HD12      LEU  78  -8.537 -12.730   9.354
  497   HD13  LEU  78          HD13      LEU  78  -9.363 -12.125   7.918
  498   HD21  LEU  78          HD21      LEU  78 -11.457 -13.147   7.919
  499   HD22  LEU  78          HD22      LEU  78 -10.798 -14.300   9.080
  500   HD23  LEU  78          HD23      LEU  78 -12.327 -13.486   9.417
  501    H    ARG  79           H        ARG  79 -11.693 -11.965  13.632
  502    HA   ARG  79           HA       ARG  79  -9.823 -12.682  15.790
  503    HB2  ARG  79           HB3      ARG  79 -10.863 -10.500  16.231
  504    HG2  ARG  79           HG3      ARG  79 -12.019 -12.632  18.015
  505    HD2  ARG  79           HD3      ARG  79 -13.064 -10.472  18.388
  506    HE   ARG  79           HE       ARG  79 -10.460  -9.383  18.011
  507   HH11  ARG  79          HH12      ARG  79 -13.458  -8.927  19.723
  508   HH12  ARG  79          HH11      ARG  79 -13.259  -7.214  19.881
  509   HH21  ARG  79          HH21      ARG  79 -10.187  -7.126  18.213
  510   HH22  ARG  79          HH22      ARG  79 -11.399  -6.188  19.021
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -7.169  -7.382 -13.963
    2    H2   MET   1           H2       MET   1  -5.767  -6.629 -13.390
    3    H3   MET   1           H3       MET   1  -6.646  -5.930 -14.652
    4    HA   MET   1           HA       MET   1  -7.043  -4.759 -12.596
    5    HB2  MET   1           HB3      MET   1  -8.844  -4.864 -14.245
    6    HG2  MET   1           HG3      MET   1 -10.799  -4.543 -12.845
    7    HE1  MET   1           HE1      MET   1 -10.194  -1.488 -10.470
    8    HE2  MET   1           HE2      MET   1 -11.394  -2.424 -11.360
    9    HE3  MET   1           HE3      MET   1 -10.554  -3.146  -9.989
   10    H    ALA   2           H        ALA   2  -6.589  -5.041 -10.525
   11    HA   ALA   2           HA       ALA   2  -7.423  -7.537  -9.212
   12    HB1  ALA   2           HB1      ALA   2  -5.327  -5.550  -8.342
   13    HB2  ALA   2           HB2      ALA   2  -5.708  -7.080  -7.551
   14    HB3  ALA   2           HB3      ALA   2  -5.016  -7.074  -9.174
   15    H    SER   3           H        SER   3  -8.642  -7.515  -7.365
   16    HA   SER   3           HA       SER   3  -9.497  -4.903  -6.327
   17    HB2  SER   3           HB3      SER   3 -11.822  -5.731  -6.175
   18    HG   SER   3           HG       SER   3 -10.976  -7.891  -7.797
   19    H    LEU   4           H        LEU   4 -11.129  -5.589  -4.331
   20    HA   LEU   4           HA       LEU   4  -9.342  -6.669  -2.394
   21    HB2  LEU   4           HB3      LEU   4 -11.138  -6.288  -0.797
   22    HG   LEU   4           HG       LEU   4 -12.856  -5.833  -3.219
   23   HD11  LEU   4          HD11      LEU   4 -13.013  -7.490  -0.732
   24   HD12  LEU   4          HD12      LEU   4 -14.468  -7.061  -1.631
   25   HD13  LEU   4          HD13      LEU   4 -13.189  -7.984  -2.414
   26   HD21  LEU   4          HD21      LEU   4 -13.312  -4.750  -0.442
   27   HD22  LEU   4          HD22      LEU   4 -12.992  -3.800  -1.893
   28   HD23  LEU   4          HD23      LEU   4 -14.484  -4.728  -1.760
   29    H    MET   5           H        MET   5 -11.674  -8.067  -4.474
   30    HA   MET   5           HA       MET   5 -12.594 -10.230  -2.983
   31    HB2  MET   5           HB3      MET   5 -11.972 -10.131  -5.939
   32    HG2  MET   5           HG3      MET   5 -14.495  -9.512  -4.428
   33    HE1  MET   5           HE1      MET   5 -14.446 -12.204  -6.180
   34    HE2  MET   5           HE2      MET   5 -15.864 -11.572  -5.342
   35    HE3  MET   5           HE3      MET   5 -15.971 -12.014  -7.046
   36    H    GLU   6           H        GLU   6  -9.570  -9.766  -4.708
   37    HA   GLU   6           HA       GLU   6  -8.617 -12.401  -4.621
   38    HB2  GLU   6           HB3      GLU   6  -7.124  -9.778  -4.575
   39    HG2  GLU   6           HG3      GLU   6  -8.455 -10.141  -6.604
   40    H    VAL   7           H        VAL   7  -7.648  -9.693  -2.510
   41    HA   VAL   7           HA       VAL   7  -6.307 -11.221  -0.608
   42    HB   VAL   7           HB       VAL   7  -7.810  -8.644  -0.115
   43   HG11  VAL   7          HG11      VAL   7  -6.191  -8.320   1.699
   44   HG12  VAL   7          HG12      VAL   7  -7.169  -9.767   1.943
   45   HG13  VAL   7          HG13      VAL   7  -5.508  -9.910   1.367
   46   HG21  VAL   7          HG21      VAL   7  -5.665  -7.535  -0.573
   47   HG22  VAL   7          HG22      VAL   7  -4.969  -9.093  -1.021
   48   HG23  VAL   7          HG23      VAL   7  -6.276  -8.404  -1.982
   49    H    ARG   8           H        ARG   8  -9.700 -10.392  -0.924
   50    HA   ARG   8           HA       ARG   8 -10.717 -11.084   1.529
   51    HB2  ARG   8           HB3      ARG   8 -12.145 -10.158  -0.156
   52    HG2  ARG   8           HG3      ARG   8 -13.032 -12.992   0.352
   53    HD2  ARG   8           HD3      ARG   8 -14.654 -10.554  -0.365
   54    HE   ARG   8           HE       ARG   8 -15.466 -13.003   0.761
   55   HH11  ARG   8          HH12      ARG   8 -16.307 -10.784  -1.788
   56   HH12  ARG   8          HH11      ARG   8 -17.986 -11.211  -1.781
   57   HH21  ARG   8          HH21      ARG   8 -17.671 -13.575   0.777
   58   HH22  ARG   8          HH22      ARG   8 -18.762 -12.800  -0.324
   59    H    ASP   9           H        ASP   9 -10.415 -13.301  -1.259
   60    HA   ASP   9           HA       ASP   9 -11.082 -15.620   0.202
   61    HB2  ASP   9           HB3      ASP   9 -11.221 -15.514  -2.248
   62    H    MET  10           H        MET  10  -8.009 -14.056  -0.518
   63    HA   MET  10           HA       MET  10  -6.239 -16.025   0.294
   64    HB2  MET  10           HB3      MET  10  -6.056 -13.021   0.525
   65    HG2  MET  10           HG3      MET  10  -6.102 -13.915  -1.766
   66    HE1  MET  10           HE1      MET  10  -4.818 -14.997  -3.898
   67    HE2  MET  10           HE2      MET  10  -3.318 -14.239  -3.365
   68    HE3  MET  10           HE3      MET  10  -3.351 -15.961  -3.740
   69    H    LEU  11           H        LEU  11  -7.822 -13.526   2.262
   70    HA   LEU  11           HA       LEU  11  -6.670 -14.530   4.706
   71    HB2  LEU  11           HB3      LEU  11  -8.662 -12.379   4.053
   72    HG   LEU  11           HG       LEU  11  -7.103 -10.836   4.963
   73   HD11  LEU  11          HD11      LEU  11  -4.942 -11.584   5.926
   74   HD12  LEU  11          HD12      LEU  11  -6.347 -12.042   6.887
   75   HD13  LEU  11          HD13      LEU  11  -5.540 -13.242   5.877
   76   HD21  LEU  11          HD21      LEU  11  -5.094 -11.212   3.578
   77   HD22  LEU  11          HD22      LEU  11  -5.650 -12.855   3.259
   78   HD23  LEU  11          HD23      LEU  11  -6.594 -11.478   2.693
   79    H    ALA  12           H        ALA  12  -9.592 -14.983   2.891
   80    HA   ALA  12           HA       ALA  12 -11.235 -15.997   4.947
   81    HB1  ALA  12           HB1      ALA  12 -12.114 -15.248   2.791
   82    HB2  ALA  12           HB2      ALA  12 -11.318 -16.607   1.996
   83    HB3  ALA  12           HB3      ALA  12 -12.615 -16.900   3.155
   84    H    LEU  13           H        LEU  13  -8.651 -17.382   3.115
   85    HA   LEU  13           HA       LEU  13  -9.302 -20.066   4.113
   86    HB2  LEU  13           HB3      LEU  13  -7.342 -19.181   1.994
   87    HG   LEU  13           HG       LEU  13  -9.836 -19.133   1.392
   88   HD11  LEU  13          HD11      LEU  13  -8.072 -19.138  -0.273
   89   HD12  LEU  13          HD12      LEU  13  -7.940 -20.894  -0.155
   90   HD13  LEU  13          HD13      LEU  13  -9.413 -20.160  -0.793
   91   HD21  LEU  13          HD21      LEU  13 -10.503 -21.146   2.573
   92   HD22  LEU  13          HD22      LEU  13 -10.807 -21.321   0.845
   93   HD23  LEU  13          HD23      LEU  13  -9.413 -22.113   1.579
   94    H    GLN  14           H        GLN  14  -6.451 -17.961   3.684
   95    HA   GLN  14           HA       GLN  14  -4.755 -19.440   5.366
   96    HB2  GLN  14           HB3      GLN  14  -4.693 -16.545   4.516
   97    HG2  GLN  14           HG3      GLN  14  -4.324 -18.220   2.740
   98   HE21  GLN  14          HE22      GLN  14  -3.098 -19.847   1.829
   99   HE22  GLN  14          HE21      GLN  14  -2.059 -20.862   2.764
  100    H    GLY  15           H        GLY  15  -6.210 -16.251   6.060
  101    HA2  GLY  15           HA2      GLY  15  -7.570 -16.380   8.252
  102    HA3  GLY  15           HA3      GLY  15  -6.033 -16.901   8.925
  103    H    ARG  16           H        ARG  16  -4.523 -15.405   9.463
  104    HA   ARG  16           HA       ARG  16  -5.323 -12.599   9.146
  105    HB2  ARG  16           HB3      ARG  16  -3.447 -13.952  11.086
  106    HG2  ARG  16           HG3      ARG  16  -4.938 -12.983  12.792
  107    HD2  ARG  16           HD3      ARG  16  -6.469 -14.680  10.832
  108    HE   ARG  16           HE       ARG  16  -7.223 -13.828  13.335
  109   HH11  ARG  16          HH12      ARG  16  -6.647 -16.888  11.775
  110   HH12  ARG  16          HH11      ARG  16  -7.801 -17.745  12.742
  111   HH21  ARG  16          HH21      ARG  16  -8.748 -14.947  14.613
  112   HH22  ARG  16          HH22      ARG  16  -8.997 -16.641  14.355
  113    H    MET  17           H        MET  17  -4.290 -11.352   7.736
  114    HA   MET  17           HA       MET  17  -1.461 -11.582   7.284
  115    HB2  MET  17           HB3      MET  17  -3.352 -12.213   5.008
  116    HG2  MET  17           HG3      MET  17  -1.308 -13.936   6.386
  117    HE1  MET  17           HE1      MET  17  -3.616 -14.915   2.511
  118    HE2  MET  17           HE2      MET  17  -4.403 -14.634   4.064
  119    HE3  MET  17           HE3      MET  17  -3.579 -13.310   3.241
  120    H    GLU  18           H        GLU  18  -0.846 -10.058   5.358
  121    HA   GLU  18           HA       GLU  18  -2.527  -7.644   5.550
  122    HB2  GLU  18           HB3      GLU  18  -0.419  -6.336   5.310
  123    HG2  GLU  18           HG3      GLU  18   0.901  -8.309   4.363
  124    H    ALA  19           H        ALA  19  -2.346  -6.161   3.699
  125    HA   ALA  19           HA       ALA  19  -2.423  -7.657   1.228
  126    HB1  ALA  19           HB1      ALA  19  -3.240  -5.572   0.242
  127    HB2  ALA  19           HB2      ALA  19  -4.146  -6.005   1.690
  128    HB3  ALA  19           HB3      ALA  19  -2.928  -4.734   1.762
  129    H    LYS  20           H        LYS  20  -0.211  -5.551   2.861
  130    HA   LYS  20           HA       LYS  20   1.252  -4.571   0.685
  131    HB2  LYS  20           HB3      LYS  20   3.064  -4.188   2.267
  132    HG2  LYS  20           HG3      LYS  20   1.463  -5.738   4.288
  133    HD2  LYS  20           HD3      LYS  20   4.203  -4.480   4.423
  134    HE2  LYS  20           HE3      LYS  20   4.141  -5.074   6.776
  135    HZ1  LYS  20           HZ1      LYS  20   3.598  -7.411   5.025
  136    HZ2  LYS  20           HZ2      LYS  20   4.293  -7.489   6.566
  137    HZ3  LYS  20           HZ3      LYS  20   5.110  -6.707   5.309
  138    H    GLN  21           H        GLN  21   1.360  -7.656   2.348
  139    HA   GLN  21           HA       GLN  21   3.794  -8.604   1.312
  140    HB2  GLN  21           HB3      GLN  21   2.662  -9.689   3.185
  141    HG2  GLN  21           HG3      GLN  21   2.801 -12.023   2.550
  142   HE21  GLN  21          HE22      GLN  21   4.784 -12.564   0.493
  143   HE22  GLN  21          HE21      GLN  21   6.265 -11.879   1.059
  144    H    LEU  22           H        LEU  22   0.469  -9.320   0.222
  145    HA   LEU  22           HA       LEU  22   1.251 -10.682  -2.114
  146    HB2  LEU  22           HB3      LEU  22  -1.326  -9.224  -1.526
  147    HG   LEU  22           HG       LEU  22  -1.002 -11.007   0.100
  148   HD11  LEU  22          HD11      LEU  22  -2.991 -12.334  -0.397
  149   HD12  LEU  22          HD12      LEU  22  -3.248 -10.626  -0.755
  150   HD13  LEU  22          HD13      LEU  22  -2.953 -11.768  -2.066
  151   HD21  LEU  22          HD21      LEU  22  -0.783 -13.345  -0.657
  152   HD22  LEU  22          HD22      LEU  22  -0.580 -12.769  -2.311
  153   HD23  LEU  22          HD23      LEU  22   0.617 -12.359  -1.082
  154    H    SER  23           H        SER  23   0.081  -7.344  -1.670
  155    HA   SER  23           HA       SER  23   0.249  -6.493  -4.300
  156    HB2  SER  23           HB3      SER  23   0.454  -4.207  -3.380
  157    HG   SER  23           HG       SER  23   0.925  -5.609  -0.965
  158    H    ALA  24           H        ALA  24   2.778  -7.057  -1.989
  159    HA   ALA  24           HA       ALA  24   4.789  -5.611  -3.466
  160    HB1  ALA  24           HB1      ALA  24   4.925  -5.807  -1.030
  161    HB2  ALA  24           HB2      ALA  24   5.090  -7.556  -1.180
  162    HB3  ALA  24           HB3      ALA  24   6.347  -6.494  -1.813
  163    H    ARG  25           H        ARG  25   3.709  -8.939  -3.157
  164    HA   ARG  25           HA       ARG  25   5.901  -9.963  -4.747
  165    HB2  ARG  25           HB3      ARG  25   3.404 -11.311  -3.700
  166    HG2  ARG  25           HG3      ARG  25   4.938 -10.644  -1.913
  167    HD2  ARG  25           HD3      ARG  25   7.017 -10.600  -3.196
  168    HE   ARG  25           HE       ARG  25   6.444 -13.347  -3.761
  169   HH11  ARG  25          HH12      ARG  25   8.996 -11.012  -3.359
  170   HH12  ARG  25          HH11      ARG  25  10.124 -11.880  -4.347
  171   HH21  ARG  25          HH21      ARG  25   7.920 -14.502  -5.060
  172   HH22  ARG  25          HH22      ARG  25   9.510 -13.866  -5.317
  173    H    LEU  26           H        LEU  26   2.591  -8.984  -5.193
  174    HA   LEU  26           HA       LEU  26   2.641  -9.934  -7.968
  175    HB2  LEU  26           HB3      LEU  26   0.380  -9.057  -6.183
  176    HG   LEU  26           HG       LEU  26  -0.556 -11.265  -6.561
  177   HD11  LEU  26          HD11      LEU  26   0.722 -13.000  -7.720
  178   HD12  LEU  26          HD12      LEU  26   0.308 -11.666  -8.798
  179   HD13  LEU  26          HD13      LEU  26   1.945 -11.806  -8.157
  180   HD21  LEU  26          HD21      LEU  26   1.031 -10.888  -4.681
  181   HD22  LEU  26          HD22      LEU  26   0.964 -12.561  -5.238
  182   HD23  LEU  26          HD23      LEU  26   2.319 -11.532  -5.698
  183    H    GLN  27           H        GLN  27   3.260  -7.152  -6.216
  184    HA   GLN  27           HA       GLN  27   3.583  -4.983  -6.791
  185    HB2  GLN  27           HB3      GLN  27   3.306  -6.104  -9.582
  186    HG2  GLN  27           HG3      GLN  27   5.728  -5.754  -9.709
  187   HE21  GLN  27          HE22      GLN  27   5.369  -7.907 -10.259
  188   HE22  GLN  27          HE21      GLN  27   5.531  -9.183  -9.106
  189    H    THR  28           H        THR  28   2.055  -3.612  -6.205
  190    HA   THR  28           HA       THR  28  -0.118  -2.969  -7.955
  191    HB   THR  28           HB       THR  28  -0.797  -4.195  -5.274
  192    HG1  THR  28           HG1      THR  28  -1.277  -5.962  -6.370
  193   HG21  THR  28          HG21      THR  28  -3.121  -3.855  -5.925
  194   HG22  THR  28          HG22      THR  28  -2.603  -3.098  -7.431
  195   HG23  THR  28          HG23      THR  28  -2.262  -2.316  -5.888
  196    HA   PRO  29           HA       PRO  29   0.599   1.013  -6.173
  197    HB2  PRO  29           HB3      PRO  29  -2.359   1.306  -6.460
  198    HG2  PRO  29           HG3      PRO  29  -2.337   0.839  -8.743
  199    HD2  PRO  29           HD3      PRO  29  -2.094  -1.285  -7.878
  200    H    GLN  30           H        GLN  30   1.044   1.010  -4.055
  201    HA   GLN  30           HA       GLN  30  -0.403  -0.222  -2.037
  202    HB2  GLN  30           HB3      GLN  30   1.519   2.094  -1.944
  203    HG2  GLN  30           HG3      GLN  30   1.822  -0.777  -1.105
  204   HE21  GLN  30          HE22      GLN  30   4.614  -0.499  -1.936
  205   HE22  GLN  30          HE21      GLN  30   5.408   0.344  -0.654
  206    HA   PRO  31           HA       PRO  31  -2.208   4.401  -1.243
  207    HB2  PRO  31           HB3      PRO  31  -2.808   4.637  -4.168
  208    HG2  PRO  31           HG3      PRO  31  -0.600   5.198  -4.671
  209    HD2  PRO  31           HD3      PRO  31  -0.300   2.950  -4.348
  210    H    LEU  32           H        LEU  32  -3.214   2.122  -3.759
  211    HA   LEU  32           HA       LEU  32  -6.010   2.391  -3.121
  212    HB2  LEU  32           HB3      LEU  32  -4.985   1.819  -5.397
  213    HG   LEU  32           HG       LEU  32  -6.767   0.333  -6.125
  214   HD11  LEU  32          HD11      LEU  32  -7.849   0.072  -3.373
  215   HD12  LEU  32          HD12      LEU  32  -8.045  -0.981  -4.772
  216   HD13  LEU  32          HD13      LEU  32  -6.536  -1.001  -3.858
  217   HD21  LEU  32          HD21      LEU  32  -8.684   1.660  -5.394
  218   HD22  LEU  32          HD22      LEU  32  -7.717   2.344  -4.088
  219   HD23  LEU  32          HD23      LEU  32  -7.298   2.684  -5.766
  220    H    ILE  33           H        ILE  33  -3.392   0.180  -2.377
  221    HA   ILE  33           HA       ILE  33  -4.728  -2.014  -1.401
  222    HB   ILE  33           HB       ILE  33  -2.251  -0.778  -0.193
  223   HG12  ILE  33          HG13      ILE  33  -2.014  -1.173  -2.602
  224   HG21  ILE  33          HG21      ILE  33  -1.756  -3.077   0.542
  225   HG22  ILE  33          HG22      ILE  33  -3.228  -2.436   1.273
  226   HG23  ILE  33          HG23      ILE  33  -3.333  -3.588  -0.059
  227   HD11  ILE  33          HD11      ILE  33  -3.688  -2.905  -2.937
  228   HD12  ILE  33          HD12      ILE  33  -2.109  -3.409  -3.539
  229   HD13  ILE  33          HD13      ILE  33  -2.710  -4.037  -2.004
  230    H    ASP  34           H        ASP  34  -3.777   0.867   0.488
  231    HA   ASP  34           HA       ASP  34  -4.931   0.074   2.902
  232    HB2  ASP  34           HB3      ASP  34  -3.373   1.957   2.739
  233    H    ALA  35           H        ALA  35  -6.307   1.943   0.222
  234    HA   ALA  35           HA       ALA  35  -8.822   2.356   1.494
  235    HB1  ALA  35           HB1      ALA  35  -9.587   3.150  -0.666
  236    HB2  ALA  35           HB2      ALA  35  -7.998   3.818  -0.299
  237    HB3  ALA  35           HB3      ALA  35  -8.150   2.484  -1.443
  238    H    MET  36           H        MET  36  -7.443  -0.182  -0.439
  239    HA   MET  36           HA       MET  36  -9.849  -1.427  -1.240
  240    HB2  MET  36           HB3      MET  36  -7.675  -1.921  -2.287
  241    HG2  MET  36           HG3      MET  36  -8.833  -4.376  -0.990
  242    HE1  MET  36           HE1      MET  36  -5.235  -5.528  -2.078
  243    HE2  MET  36           HE2      MET  36  -5.673  -3.984  -1.347
  244    HE3  MET  36           HE3      MET  36  -6.406  -5.478  -0.760
  245    H    LEU  37           H        LEU  37  -7.607  -2.115   1.428
  246    HA   LEU  37           HA       LEU  37  -9.260  -4.084   2.636
  247    HB2  LEU  37           HB3      LEU  37  -7.150  -2.391   3.970
  248    HG   LEU  37           HG       LEU  37  -6.107  -3.441   2.029
  249   HD11  LEU  37          HD11      LEU  37  -4.699  -3.271   3.916
  250   HD12  LEU  37          HD12      LEU  37  -5.468  -4.646   4.709
  251   HD13  LEU  37          HD13      LEU  37  -4.468  -4.898   3.277
  252   HD21  LEU  37          HD21      LEU  37  -7.108  -6.042   3.174
  253   HD22  LEU  37          HD22      LEU  37  -7.741  -5.250   1.731
  254   HD23  LEU  37          HD23      LEU  37  -6.081  -5.845   1.755
  255    H    GLU  38           H        GLU  38  -8.563  -0.695   3.439
  256    HA   GLU  38           HA       GLU  38 -10.198  -0.325   5.605
  257    HB2  GLU  38           HB3      GLU  38  -8.731   1.428   4.814
  258    HG2  GLU  38           HG3      GLU  38 -11.594   2.333   4.628
  259    H    ARG  39           H        ARG  39 -11.106  -0.332   2.192
  260    HA   ARG  39           HA       ARG  39 -13.791   0.478   2.563
  261    HB2  ARG  39           HB3      ARG  39 -12.500   0.479   0.390
  262    HG2  ARG  39           HG3      ARG  39 -14.973   0.750   0.425
  263    HD2  ARG  39           HD3      ARG  39 -14.853  -2.223   0.026
  264    HE   ARG  39           HE       ARG  39 -16.542  -0.597  -1.437
  265   HH11  ARG  39          HH12      ARG  39 -16.852  -3.168   0.891
  266   HH12  ARG  39          HH11      ARG  39 -18.358  -3.738   0.254
  267   HH21  ARG  39          HH21      ARG  39 -18.526  -1.338  -2.283
  268   HH22  ARG  39          HH22      ARG  39 -19.309  -2.700  -1.552
  269    H    MET  40           H        MET  40 -12.391  -2.758   2.006
  270    HA   MET  40           HA       MET  40 -14.715  -4.245   2.256
  271    HB2  MET  40           HB3      MET  40 -12.445  -5.087   1.562
  272    HG2  MET  40           HG3      MET  40 -12.636  -7.317   2.519
  273    HE1  MET  40           HE1      MET  40 -14.302  -9.205   1.797
  274    HE2  MET  40           HE2      MET  40 -15.506  -8.658   2.962
  275    HE3  MET  40           HE3      MET  40 -15.964  -8.923   1.280
  276    H    GLU  41           H        GLU  41 -12.560  -3.009   4.755
  277    HA   GLU  41           HA       GLU  41 -14.104  -4.235   6.879
  278    HB2  GLU  41           HB3      GLU  41 -11.605  -3.979   6.957
  279    HG2  GLU  41           HG3      GLU  41 -13.063  -4.181   9.040
  280    H    ALA  42           H        ALA  42 -14.081  -1.285   5.126
  281    HA   ALA  42           HA       ALA  42 -14.950   0.603   6.924
  282    HB1  ALA  42           HB1      ALA  42 -15.909   0.248   4.085
  283    HB2  ALA  42           HB2      ALA  42 -16.025   1.724   5.040
  284    HB3  ALA  42           HB3      ALA  42 -14.445   1.094   4.579
  285    H    MET  43           H        MET  43 -16.641  -2.174   5.736
  286    HA   MET  43           HA       MET  43 -19.229  -1.220   6.634
  287    HB2  MET  43           HB3      MET  43 -18.413  -3.929   5.571
  288    HG2  MET  43           HG3      MET  43 -19.824  -1.694   4.134
  289    HE1  MET  43           HE1      MET  43 -21.130  -4.551   4.584
  290    HE2  MET  43           HE2      MET  43 -21.883  -3.355   3.527
  291    HE3  MET  43           HE3      MET  43 -21.628  -5.001   2.953
  292    H    GLY  44           H        GLY  44 -16.601  -3.158   7.792
  293    HA2  GLY  44           HA2      GLY  44 -16.458  -3.373  10.235
  294    HA3  GLY  44           HA3      GLY  44 -18.176  -3.756  10.221
  295    H    LYS  45           H        LYS  45 -15.236  -4.924   8.562
  296    HA   LYS  45           HA       LYS  45 -16.232  -7.607   8.457
  297    HB2  LYS  45           HB3      LYS  45 -14.650  -6.532   6.791
  298    HG2  LYS  45           HG3      LYS  45 -13.234  -8.541   6.468
  299    HD2  LYS  45           HD3      LYS  45 -16.137  -9.068   7.093
  300    HE2  LYS  45           HE3      LYS  45 -14.196 -10.593   5.361
  301    HZ1  LYS  45           HZ1      LYS  45 -16.068 -12.101   5.027
  302    HZ2  LYS  45           HZ2      LYS  45 -16.393 -10.566   4.392
  303    HZ3  LYS  45           HZ3      LYS  45 -17.088 -11.041   5.859
  304    H    VAL  46           H        VAL  46 -13.189  -6.433   9.912
  305    HA   VAL  46           HA       VAL  46 -13.792  -7.742  12.406
  306    HB   VAL  46           HB       VAL  46 -11.434  -8.972  12.152
  307   HG11  VAL  46          HG11      VAL  46 -12.666 -11.025  11.726
  308   HG12  VAL  46          HG12      VAL  46 -13.566  -9.982  12.828
  309   HG13  VAL  46          HG13      VAL  46 -14.042 -10.094  11.134
  310   HG21  VAL  46          HG21      VAL  46 -11.398  -8.116   9.704
  311   HG22  VAL  46          HG22      VAL  46 -10.953  -9.791  10.028
  312   HG23  VAL  46          HG23      VAL  46 -12.560  -9.408   9.412
  313    H    VAL  47           H        VAL  47 -10.496  -7.339  11.215
  314    HA   VAL  47           HA       VAL  47 -10.260  -4.778  12.599
  315    HB   VAL  47           HB       VAL  47  -8.404  -7.069  13.246
  316   HG11  VAL  47          HG11      VAL  47  -8.696  -4.320  14.452
  317   HG12  VAL  47          HG12      VAL  47  -7.585  -5.574  14.999
  318   HG13  VAL  47          HG13      VAL  47  -7.388  -4.859  13.399
  319   HG21  VAL  47          HG21      VAL  47  -9.471  -7.099  15.460
  320   HG22  VAL  47          HG22      VAL  47 -10.657  -5.924  14.892
  321   HG23  VAL  47          HG23      VAL  47 -10.600  -7.534  14.176
  322    H    ARG  48           H        ARG  48  -8.361  -3.592  12.043
  323    HA   ARG  48           HA       ARG  48  -6.636  -4.670   9.974
  324    HB2  ARG  48           HB3      ARG  48  -7.102  -2.515   8.599
  325    HG2  ARG  48           HG3      ARG  48  -9.458  -1.832   8.620
  326    HD2  ARG  48           HD3      ARG  48  -8.190  -1.393  11.313
  327    HE   ARG  48           HE       ARG  48 -10.494  -0.279  10.217
  328   HH11  ARG  48          HH12      ARG  48  -7.498   0.772  11.653
  329   HH12  ARG  48          HH11      ARG  48  -8.169   2.239  12.284
  330   HH21  ARG  48          HH21      ARG  48 -11.383   1.650  11.043
  331   HH22  ARG  48          HH22      ARG  48 -10.374   2.738  11.937
  332    H    ILE  49           H        ILE  49  -4.863  -3.187   9.407
  333    HA   ILE  49           HA       ILE  49  -4.333  -1.099  11.391
  334    HB   ILE  49           HB       ILE  49  -2.378  -3.321  10.778
  335   HG12  ILE  49          HG13      ILE  49  -3.862  -2.675  13.337
  336   HG21  ILE  49          HG21      ILE  49  -2.149  -0.943  12.618
  337   HG22  ILE  49          HG22      ILE  49  -0.975  -2.251  12.483
  338   HG23  ILE  49          HG23      ILE  49  -1.270  -1.187  11.108
  339   HD11  ILE  49          HD11      ILE  49  -1.654  -3.608  13.784
  340   HD12  ILE  49          HD12      ILE  49  -2.941  -4.739  14.205
  341   HD13  ILE  49          HD13      ILE  49  -2.016  -4.966  12.719
  342    H    SER  50           H        SER  50  -3.933   0.667  10.232
  343    HA   SER  50           HA       SER  50  -2.828   0.434   7.553
  344    HB2  SER  50           HB3      SER  50  -3.342   2.852   7.379
  345    HG   SER  50           HG       SER  50  -3.704   3.960   9.114
  346    H    GLU  51           H        GLU  51  -0.850   0.973   6.937
  347    HA   GLU  51           HA       GLU  51   0.877   2.455   8.786
  348    HB2  GLU  51           HB3      GLU  51   1.366   0.086   9.132
  349    HG2  GLU  51           HG3      GLU  51   3.731  -0.013   8.535
  350    H    THR  52           H        THR  52   2.501   3.673   7.804
  351    HA   THR  52           HA       THR  52   2.359   3.830   4.863
  352    HB   THR  52           HB       THR  52   1.257   5.777   5.849
  353    HG1  THR  52           HG1      THR  52   2.149   6.602   4.109
  354   HG21  THR  52          HG21      THR  52   2.448   5.810   7.998
  355   HG22  THR  52          HG22      THR  52   2.508   7.383   7.202
  356   HG23  THR  52          HG23      THR  52   3.918   6.324   7.171
  357    H    SER  53           H        SER  53   4.237   3.639   3.819
  358    HA   SER  53           HA       SER  53   6.707   4.640   4.728
  359    HB2  SER  53           HB3      SER  53   7.883   2.507   5.167
  360    HG   SER  53           HG       SER  53   6.903   0.662   4.925
  361    H    GLU  54           H        GLU  54   8.399   4.335   3.207
  362    HA   GLU  54           HA       GLU  54   8.226   2.633   0.969
  363    HB2  GLU  54           HB3      GLU  54   6.364   4.082   0.327
  364    HG2  GLU  54           HG3      GLU  54   7.109   4.883  -1.846
  365    H    GLY  55           H        GLY  55   9.408   5.701   2.258
  366    HA2  GLY  55           HA2      GLY  55  12.098   4.956   1.391
  367    HA3  GLY  55           HA3      GLY  55  11.466   6.485   0.803
  368    H    CYS  56           H        CYS  56  11.514   8.249   2.097
  369    HA   CYS  56           HA       CYS  56  13.290   8.387   4.219
  370    HB2  CYS  56           HB3      CYS  56  10.954  10.206   3.597
  371    HG   CYS  56           HG       CYS  56  14.206  10.305   2.562
  372    H    LEU  57           H        LEU  57  12.550   9.362   6.438
  373    HA   LEU  57           HA       LEU  57  10.735   7.390   7.612
  374    HB2  LEU  57           HB3      LEU  57  12.745   9.266   8.858
  375    HG   LEU  57           HG       LEU  57  12.748   6.250   8.688
  376   HD11  LEU  57          HD11      LEU  57  14.443   8.368   7.389
  377   HD12  LEU  57          HD12      LEU  57  14.928   6.676   7.505
  378   HD13  LEU  57          HD13      LEU  57  13.476   7.116   6.608
  379   HD21  LEU  57          HD21      LEU  57  14.878   6.394   9.874
  380   HD22  LEU  57          HD22      LEU  57  14.673   8.138  10.037
  381   HD23  LEU  57          HD23      LEU  57  13.557   7.040  10.847
  382    H    SER  58           H        SER  58   9.826   9.764   6.101
  383    HA   SER  58           HA       SER  58   8.778  11.636   7.999
  384    HB2  SER  58           HB3      SER  58   8.097  11.175   5.085
  385    HG   SER  58           HG       SER  58  10.191  11.910   5.308
  386    H    GLY  59           H        GLY  59   7.761   8.581   6.779
  387    HA2  GLY  59           HA2      GLY  59   4.971   9.030   7.511
  388    HA3  GLY  59           HA3      GLY  59   5.629   7.585   6.758
  389    H    SER  60           H        SER  60   6.214   9.382   9.786
  390    HA   SER  60           HA       SER  60   6.702   6.956  11.234
  391    HB2  SER  60           HB3      SER  60   7.893   8.991  11.847
  392    HG   SER  60           HG       SER  60   7.687   7.785  13.633
  393    H    CYS  61           H        CYS  61   5.428   5.953  12.746
  394    HA   CYS  61           HA       CYS  61   3.526   5.218  13.750
  395    HB2  CYS  61           HB3      CYS  61   2.673   8.112  13.520
  396    HG   CYS  61           HG       CYS  61   5.093   8.097  14.911
  397    H    LYS  62           H        LYS  62   0.907   5.579  13.478
  398    HA   LYS  62           HA       LYS  62   0.427   4.739  10.746
  399    HB2  LYS  62           HB3      LYS  62  -1.798   4.130  11.537
  400    HG2  LYS  62           HG3      LYS  62  -0.958   5.270  14.194
  401    HD2  LYS  62           HD3      LYS  62  -2.243   3.194  14.407
  402    HE2  LYS  62           HE3      LYS  62  -4.271   4.657  12.725
  403    HZ1  LYS  62           HZ1      LYS  62  -4.524   2.063  14.149
  404    HZ2  LYS  62           HZ2      LYS  62  -5.651   2.701  13.058
  405    HZ3  LYS  62           HZ3      LYS  62  -5.358   3.485  14.528
  406    H    SER  63           H        SER  63  -0.416   7.403  12.884
  407    HA   SER  63           HA       SER  63  -2.376   8.631  11.319
  408    HB2  SER  63           HB3      SER  63  -1.809  10.698  12.550
  409    HG   SER  63           HG       SER  63   0.025   9.777  14.215
  410    H    CYS  64           H        CYS  64  -2.280  10.389   9.863
  411    HA   CYS  64           HA       CYS  64   0.073  10.323   8.157
  412    HB2  CYS  64           HB3      CYS  64  -1.313  11.618   6.581
  413    HG   CYS  64           HG       CYS  64  -3.133  12.308   9.214
  414    HA   PRO  65           HA       PRO  65   1.821  14.119   9.554
  415    HB2  PRO  65           HB3      PRO  65   2.906  15.074   7.247
  416    HG2  PRO  65           HG3      PRO  65   1.840  13.672   5.732
  417    HD2  PRO  65           HD3      PRO  65   0.803  11.716   6.394
  418    H    GLU  66           H        GLU  66  -0.234  14.206   6.691
  419    HA   GLU  66           HA       GLU  66  -1.356  16.736   7.621
  420    HB2  GLU  66           HB3      GLU  66   0.256  17.515   6.043
  421    HG2  GLU  66           HG3      GLU  66  -2.332  17.334   4.515
  422    H    GLY  67           H        GLY  67  -1.820  15.249   4.455
  423    HA2  GLY  67           HA2      GLY  67  -4.408  14.184   5.332
  424    HA3  GLY  67           HA3      GLY  67  -4.354  15.323   3.994
  425    H    LYS  68           H        LYS  68  -2.578  14.656   2.307
  426    HA   LYS  68           HA       LYS  68  -3.322  11.990   1.442
  427    HB2  LYS  68           HB3      LYS  68  -1.720  14.164   0.087
  428    HG2  LYS  68           HG3      LYS  68  -4.503  13.150  -0.452
  429    HD2  LYS  68           HD3      LYS  68  -2.921  15.336  -1.801
  430    HE2  LYS  68           HE3      LYS  68  -5.685  14.256  -2.330
  431    HZ1  LYS  68           HZ1      LYS  68  -4.178  16.393  -3.739
  432    HZ2  LYS  68           HZ2      LYS  68  -5.781  15.943  -4.043
  433    HZ3  LYS  68           HZ3      LYS  68  -4.522  14.861  -4.367
  434    H    ALA  69           H        ALA  69  -2.189  10.356   2.270
  435    HA   ALA  69           HA       ALA  69   0.629  10.694   2.907
  436    HB1  ALA  69           HB1      ALA  69   0.463   8.549   4.009
  437    HB2  ALA  69           HB2      ALA  69  -0.875   9.582   4.513
  438    HB3  ALA  69           HB3      ALA  69  -1.147   8.297   3.336
  439    H    ALA  70           H        ALA  70   2.117  10.310   1.415
  440    HA   ALA  70           HA       ALA  70   1.675   9.147  -1.074
  441    HB1  ALA  70           HB1      ALA  70   3.577  10.605  -0.585
  442    HB2  ALA  70           HB2      ALA  70   4.283   9.344   0.427
  443    HB3  ALA  70           HB3      ALA  70   4.101   9.084  -1.308
  444    H    CYS  71           H        CYS  71   1.047   7.124  -1.454
  445    HA   CYS  71           HA       CYS  71   0.898   4.854  -1.391
  446    HB2  CYS  71           HB3      CYS  71   3.720   5.089  -0.320
  447    HG   CYS  71           HG       CYS  71   3.268   4.053  -3.471
  448    H    ARG  72           H        ARG  72  -0.515   4.049   0.021
  449    HA   ARG  72           HA       ARG  72   0.341   3.689   2.806
  450    HB2  ARG  72           HB3      ARG  72  -1.927   4.318   3.576
  451    HG2  ARG  72           HG3      ARG  72  -2.408   5.620   0.932
  452    HD2  ARG  72           HD3      ARG  72  -4.135   4.811   3.253
  453    HE   ARG  72           HE       ARG  72  -5.012   5.109   0.642
  454   HH11  ARG  72          HH12      ARG  72  -5.628   6.555   3.749
  455   HH12  ARG  72          HH11      ARG  72  -7.276   6.949   3.385
  456   HH21  ARG  72          HH21      ARG  72  -7.181   5.625   0.150
  457   HH22  ARG  72          HH22      ARG  72  -8.158   6.420   1.339
  458    H    GLN  73           H        GLN  73  -0.190   1.753   3.678
  459    HA   GLN  73           HA       GLN  73  -2.248   0.111   2.416
  460    HB2  GLN  73           HB3      GLN  73  -0.675  -1.844   2.357
  461    HG2  GLN  73           HG3      GLN  73   1.350   0.304   2.891
  462   HE21  GLN  73          HE22      GLN  73   3.508  -0.131   2.476
  463   HE22  GLN  73          HE21      GLN  73   4.005  -1.299   1.303
  464    H    GLU  74           H        GLU  74  -3.310  -1.196   3.846
  465    HA   GLU  74           HA       GLU  74  -2.266  -1.186   6.603
  466    HB2  GLU  74           HB3      GLU  74  -4.600  -1.363   7.360
  467    HG2  GLU  74           HG3      GLU  74  -5.329  -0.985   4.469
  468    H    TRP  75           H        TRP  75  -3.436  -3.045   7.913
  469    HA   TRP  75           HA       TRP  75  -2.956  -5.520   6.395
  470    HB2  TRP  75           HB3      TRP  75  -2.800  -5.050   9.380
  471    HD1  TRP  75           HD1      TRP  75  -0.909  -4.572   6.194
  472    HE1  TRP  75           HE1      TRP  75   1.554  -4.037   6.710
  473    HE3  TRP  75           HE3      TRP  75  -0.861  -5.701  11.181
  474    HZ2  TRP  75           HZ2      TRP  75   3.289  -4.087   8.936
  475    HZ3  TRP  75           HZ3      TRP  75   1.242  -5.431  12.431
  476    HH2  TRP  75           HH2      TRP  75   3.273  -4.642  11.330
  477    H    TRP  76           H        TRP  76  -4.316  -7.336   6.767
  478    HA   TRP  76           HA       TRP  76  -6.968  -6.646   7.855
  479    HB2  TRP  76           HB3      TRP  76  -6.980  -6.753   5.383
  480    HD1  TRP  76           HD1      TRP  76  -8.787  -8.119   8.175
  481    HE1  TRP  76           HE1      TRP  76 -11.099  -9.012   7.484
  482    HE3  TRP  76           HE3      TRP  76  -8.106  -8.302   3.112
  483    HZ2  TRP  76           HZ2      TRP  76 -12.456  -9.700   5.107
  484    HZ3  TRP  76           HZ3      TRP  76  -9.960  -9.090   1.700
  485    HH2  TRP  76           HH2      TRP  76 -12.090  -9.774   2.679
  486    H    ALA  77           H        ALA  77  -7.335  -7.782   9.638
  487    HA   ALA  77           HA       ALA  77  -6.676 -10.638   9.646
  488    HB1  ALA  77           HB1      ALA  77  -4.853  -9.523  10.813
  489    HB2  ALA  77           HB2      ALA  77  -6.007  -8.745  11.895
  490    HB3  ALA  77           HB3      ALA  77  -5.809 -10.497  11.927
  491    H    LEU  78           H        LEU  78  -7.936 -11.909  11.076
  492    HA   LEU  78           HA       LEU  78 -10.523 -10.684  11.705
  493    HB2  LEU  78           HB3      LEU  78  -9.724 -13.582  11.440
  494    HG   LEU  78           HG       LEU  78 -11.395 -11.851   9.623
  495   HD11  LEU  78          HD11      LEU  78  -9.706 -12.785   7.952
  496   HD12  LEU  78          HD12      LEU  78  -9.146 -11.537   9.064
  497   HD13  LEU  78          HD13      LEU  78  -8.744 -13.227   9.364
  498   HD21  LEU  78          HD21      LEU  78 -12.480 -13.994   9.894
  499   HD22  LEU  78          HD22      LEU  78 -11.715 -13.913   8.307
  500   HD23  LEU  78          HD23      LEU  78 -10.956 -14.834   9.606
  501    H    ARG  79           H        ARG  79 -11.628 -11.415  13.688
  502    HA   ARG  79           HA       ARG  79  -9.701 -11.658  15.892
  503    HB2  ARG  79           HB3      ARG  79 -11.636 -10.809  17.297
  504    HG2  ARG  79           HG3      ARG  79 -12.778 -10.007  14.632
  505    HD2  ARG  79           HD3      ARG  79 -14.638  -9.171  15.977
  506    HE   ARG  79           HE       ARG  79 -12.092  -7.960  16.047
  507   HH11  ARG  79          HH12      ARG  79 -15.223  -7.790  17.560
  508   HH12  ARG  79          HH11      ARG  79 -15.091  -6.108  17.946
  509   HH21  ARG  79          HH21      ARG  79 -11.906  -5.742  16.552
  510   HH22  ARG  79          HH22      ARG  79 -13.206  -4.944  17.373
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  -8.531  -7.249 -13.404
    2    H2   MET   1           H2       MET   1  -9.457  -6.141 -14.286
    3    H3   MET   1           H3       MET   1 -10.196  -7.133 -13.133
    4    HA   MET   1           HA       MET   1  -8.183  -5.039 -12.564
    5    HB2  MET   1           HB3      MET   1 -11.166  -5.092 -12.061
    6    HG2  MET   1           HG3      MET   1  -9.529  -3.292 -13.832
    7    HE1  MET   1           HE1      MET   1 -11.953  -0.780 -12.020
    8    HE2  MET   1           HE2      MET   1 -11.132  -2.155 -11.283
    9    HE3  MET   1           HE3      MET   1 -10.277  -1.134 -12.438
   10    H    ALA   2           H        ALA   2  -6.999  -5.695 -10.904
   11    HA   ALA   2           HA       ALA   2  -7.568  -7.785  -9.168
   12    HB1  ALA   2           HB1      ALA   2  -5.763  -6.920  -7.768
   13    HB2  ALA   2           HB2      ALA   2  -5.326  -6.876  -9.477
   14    HB3  ALA   2           HB3      ALA   2  -5.805  -5.395  -8.650
   15    H    SER   3           H        SER   3  -9.290  -7.922  -7.886
   16    HA   SER   3           HA       SER   3 -10.183  -5.519  -6.449
   17    HB2  SER   3           HB3      SER   3 -12.327  -6.710  -6.152
   18    HG   SER   3           HG       SER   3 -12.620  -8.671  -7.290
   19    H    LEU   4           H        LEU   4 -11.489  -6.406  -4.343
   20    HA   LEU   4           HA       LEU   4  -9.396  -7.386  -2.630
   21    HB2  LEU   4           HB3      LEU   4 -10.985  -7.015  -0.816
   22    HG   LEU   4           HG       LEU   4 -12.981  -6.604  -3.017
   23   HD11  LEU   4          HD11      LEU   4 -14.418  -7.730  -1.243
   24   HD12  LEU   4          HD12      LEU   4 -13.171  -8.714  -2.007
   25   HD13  LEU   4          HD13      LEU   4 -12.909  -8.058  -0.391
   26   HD21  LEU   4          HD21      LEU   4 -12.924  -4.493  -1.809
   27   HD22  LEU   4          HD22      LEU   4 -14.405  -5.379  -1.448
   28   HD23  LEU   4          HD23      LEU   4 -13.087  -5.351  -0.278
   29    H    MET   5           H        MET   5 -11.956  -8.802  -4.397
   30    HA   MET   5           HA       MET   5 -12.801 -10.918  -2.870
   31    HB2  MET   5           HB3      MET   5 -13.712 -10.458  -5.077
   32    HG2  MET   5           HG3      MET   5 -13.717 -12.693  -6.102
   33    HE1  MET   5           HE1      MET   5 -15.615 -10.906  -4.375
   34    HE2  MET   5           HE2      MET   5 -16.189 -12.201  -5.426
   35    HE3  MET   5           HE3      MET   5 -16.755 -12.101  -3.760
   36    H    GLU   6           H        GLU   6  -9.843 -10.700  -4.813
   37    HA   GLU   6           HA       GLU   6  -8.953 -13.329  -4.437
   38    HB2  GLU   6           HB3      GLU   6  -7.401 -10.780  -4.889
   39    HG2  GLU   6           HG3      GLU   6  -8.165 -12.975  -6.801
   40    H    VAL   7           H        VAL   7  -7.710 -10.410  -2.797
   41    HA   VAL   7           HA       VAL   7  -6.295 -11.802  -0.817
   42    HB   VAL   7           HB       VAL   7  -5.911  -9.418  -1.344
   43   HG11  VAL   7          HG11      VAL   7  -8.502  -8.964   0.131
   44   HG12  VAL   7          HG12      VAL   7  -7.392  -7.708  -0.417
   45   HG13  VAL   7          HG13      VAL   7  -8.233  -8.716  -1.595
   46   HG21  VAL   7          HG21      VAL   7  -5.059 -10.317   0.737
   47   HG22  VAL   7          HG22      VAL   7  -5.594  -8.653   0.975
   48   HG23  VAL   7          HG23      VAL   7  -6.597  -9.991   1.537
   49    H    ARG   8           H        ARG   8  -9.640 -10.963  -1.108
   50    HA   ARG   8           HA       ARG   8 -10.452 -11.075   1.562
   51    HB2  ARG   8           HB3      ARG   8 -11.940 -10.236  -0.124
   52    HG2  ARG   8           HG3      ARG   8 -13.031 -12.834   0.930
   53    HD2  ARG   8           HD3      ARG   8 -14.445 -10.429  -0.214
   54    HE   ARG   8           HE       ARG   8 -15.464 -12.157   1.656
   55   HH11  ARG   8          HH12      ARG   8 -16.199 -11.320  -1.645
   56   HH12  ARG   8          HH11      ARG   8 -17.892 -11.649  -1.486
   57   HH21  ARG   8          HH21      ARG   8 -17.691 -12.595   1.874
   58   HH22  ARG   8          HH22      ARG   8 -18.741 -12.374   0.513
   59    H    ASP   9           H        ASP   9 -10.743 -13.661  -0.887
   60    HA   ASP   9           HA       ASP   9 -11.372 -15.662   1.022
   61    HB2  ASP   9           HB3      ASP   9 -10.343 -15.963  -1.806
   62    H    MET  10           H        MET  10  -8.390 -14.876  -0.742
   63    HA   MET  10           HA       MET  10  -6.744 -16.907   0.057
   64    HB2  MET  10           HB3      MET  10  -6.136 -13.981  -0.328
   65    HG2  MET  10           HG3      MET  10  -6.792 -15.141  -2.354
   66    HE1  MET  10           HE1      MET  10  -3.148 -16.473  -1.765
   67    HE2  MET  10           HE2      MET  10  -3.999 -17.029  -0.324
   68    HE3  MET  10           HE3      MET  10  -3.436 -18.195  -1.520
   69    H    LEU  11           H        LEU  11  -7.341 -13.888   1.854
   70    HA   LEU  11           HA       LEU  11  -5.814 -14.841   4.113
   71    HB2  LEU  11           HB3      LEU  11  -7.368 -12.335   3.552
   72    HG   LEU  11           HG       LEU  11  -4.463 -12.743   4.277
   73   HD11  LEU  11          HD11      LEU  11  -3.986 -12.034   2.007
   74   HD12  LEU  11          HD12      LEU  11  -4.982 -13.489   2.003
   75   HD13  LEU  11          HD13      LEU  11  -5.712 -11.921   1.660
   76   HD21  LEU  11          HD21      LEU  11  -4.269 -10.342   3.767
   77   HD22  LEU  11          HD22      LEU  11  -6.022 -10.257   3.594
   78   HD23  LEU  11          HD23      LEU  11  -5.308 -10.659   5.156
   79    H    ALA  12           H        ALA  12  -9.211 -14.387   3.275
   80    HA   ALA  12           HA       ALA  12 -10.403 -14.751   5.739
   81    HB1  ALA  12           HB1      ALA  12 -11.351 -15.674   3.035
   82    HB2  ALA  12           HB2      ALA  12 -12.351 -15.649   4.486
   83    HB3  ALA  12           HB3      ALA  12 -11.717 -14.142   3.827
   84    H    LEU  13           H        LEU  13  -8.712 -17.043   3.800
   85    HA   LEU  13           HA       LEU  13  -9.761 -19.305   5.320
   86    HB2  LEU  13           HB3      LEU  13  -7.827 -19.240   3.005
   87    HG   LEU  13           HG       LEU  13 -10.288 -18.574   2.538
   88   HD11  LEU  13          HD11      LEU  13  -8.701 -19.136   0.799
   89   HD12  LEU  13          HD12      LEU  13  -8.970 -20.857   1.079
   90   HD13  LEU  13          HD13      LEU  13 -10.273 -19.853   0.445
   91   HD21  LEU  13          HD21      LEU  13 -11.335 -20.268   3.931
   92   HD22  LEU  13          HD22      LEU  13 -11.791 -20.490   2.241
   93   HD23  LEU  13          HD23      LEU  13 -10.584 -21.544   2.975
   94    H    GLN  14           H        GLN  14  -7.175 -17.124   5.466
   95    HA   GLN  14           HA       GLN  14  -5.498 -19.037   6.937
   96    HB2  GLN  14           HB3      GLN  14  -4.844 -16.391   5.643
   97    HG2  GLN  14           HG3      GLN  14  -4.900 -18.382   4.163
   98   HE21  GLN  14          HE22      GLN  14  -4.007 -20.332   3.511
   99   HE22  GLN  14          HE21      GLN  14  -3.150 -21.364   4.600
  100    H    GLY  15           H        GLY  15  -5.696 -15.508   7.164
  101    HA2  GLY  15           HA2      GLY  15  -7.136 -14.996   9.360
  102    HA3  GLY  15           HA3      GLY  15  -5.690 -15.705  10.064
  103    H    ARG  16           H        ARG  16  -4.650 -14.040  10.988
  104    HA   ARG  16           HA       ARG  16  -4.688 -11.384  10.131
  105    HB2  ARG  16           HB3      ARG  16  -2.755 -12.928  11.845
  106    HG2  ARG  16           HG3      ARG  16  -3.600 -11.413  13.614
  107    HD2  ARG  16           HD3      ARG  16  -5.747 -13.001  12.215
  108    HE   ARG  16           HE       ARG  16  -6.007 -11.533  14.521
  109   HH11  ARG  16          HH12      ARG  16  -6.214 -14.899  13.658
  110   HH12  ARG  16          HH11      ARG  16  -7.383 -15.272  14.880
  111   HH21  ARG  16          HH21      ARG  16  -7.544 -12.014  16.135
  112   HH22  ARG  16          HH22      ARG  16  -8.140 -13.632  16.287
  113    H    MET  17           H        MET  17  -3.866 -10.467   8.379
  114    HA   MET  17           HA       MET  17  -1.208 -11.078   7.465
  115    HB2  MET  17           HB3      MET  17  -3.547 -11.658   5.638
  116    HG2  MET  17           HG3      MET  17  -1.563 -13.499   6.944
  117    HE1  MET  17           HE1      MET  17  -1.059 -13.059   3.871
  118    HE2  MET  17           HE2      MET  17  -0.225 -14.274   4.841
  119    HE3  MET  17           HE3      MET  17  -0.967 -14.727   3.306
  120    H    GLU  18           H        GLU  18  -0.756  -9.775   5.366
  121    HA   GLU  18           HA       GLU  18  -2.241  -7.233   5.477
  122    HB2  GLU  18           HB3      GLU  18  -0.065  -6.085   5.037
  123    HG2  GLU  18           HG3      GLU  18   1.096  -8.195   4.234
  124    H    ALA  19           H        ALA  19  -2.413  -6.065   3.531
  125    HA   ALA  19           HA       ALA  19  -2.350  -7.737   1.171
  126    HB1  ALA  19           HB1      ALA  19  -4.292  -6.412   1.427
  127    HB2  ALA  19           HB2      ALA  19  -3.345  -4.945   1.672
  128    HB3  ALA  19           HB3      ALA  19  -3.383  -5.715   0.086
  129    H    LYS  20           H        LYS  20  -0.310  -5.378   2.608
  130    HA   LYS  20           HA       LYS  20   0.885  -4.229   0.361
  131    HB2  LYS  20           HB3      LYS  20   2.706  -3.617   1.792
  132    HG2  LYS  20           HG3      LYS  20   1.700  -5.589   3.830
  133    HD2  LYS  20           HD3      LYS  20   4.096  -3.758   3.761
  134    HE2  LYS  20           HE3      LYS  20   4.600  -4.619   5.985
  135    HZ1  LYS  20           HZ1      LYS  20   5.639  -5.713   4.084
  136    HZ2  LYS  20           HZ2      LYS  20   4.363  -6.823   4.005
  137    HZ3  LYS  20           HZ3      LYS  20   5.382  -6.802   5.355
  138    H    GLN  21           H        GLN  21   1.551  -7.271   2.021
  139    HA   GLN  21           HA       GLN  21   3.905  -7.954   0.654
  140    HB2  GLN  21           HB3      GLN  21   1.769  -9.690   1.893
  141    HG2  GLN  21           HG3      GLN  21   4.475  -8.816   2.876
  142   HE21  GLN  21          HE22      GLN  21   1.827 -11.083   3.215
  143   HE22  GLN  21          HE21      GLN  21   2.562 -12.046   4.443
  144    H    LEU  22           H        LEU  22   0.576  -9.086   0.066
  145    HA   LEU  22           HA       LEU  22   1.140 -10.425  -2.335
  146    HB2  LEU  22           HB3      LEU  22  -1.485  -9.145  -1.580
  147    HG   LEU  22           HG       LEU  22  -0.846 -10.527   0.307
  148   HD11  LEU  22          HD11      LEU  22  -2.682 -12.130   0.275
  149   HD12  LEU  22          HD12      LEU  22  -3.179 -10.581  -0.405
  150   HD13  LEU  22          HD13      LEU  22  -2.827 -11.940  -1.472
  151   HD21  LEU  22          HD21      LEU  22  -0.329 -12.896   0.039
  152   HD22  LEU  22          HD22      LEU  22  -0.422 -12.727  -1.714
  153   HD23  LEU  22          HD23      LEU  22   0.844 -11.892  -0.812
  154    H    SER  23           H        SER  23   0.528  -7.080  -1.620
  155    HA   SER  23           HA       SER  23  -0.075  -6.259  -4.280
  156    HB2  SER  23           HB3      SER  23  -0.757  -4.910  -2.354
  157    HG   SER  23           HG       SER  23   0.926  -3.044  -3.250
  158    H    ALA  24           H        ALA  24   2.874  -6.411  -2.346
  159    HA   ALA  24           HA       ALA  24   4.547  -5.076  -4.195
  160    HB1  ALA  24           HB1      ALA  24   5.312  -7.103  -2.097
  161    HB2  ALA  24           HB2      ALA  24   6.394  -5.960  -2.894
  162    HB3  ALA  24           HB3      ALA  24   5.121  -5.370  -1.826
  163    H    ARG  25           H        ARG  25   3.770  -8.495  -3.694
  164    HA   ARG  25           HA       ARG  25   5.606  -9.523  -5.578
  165    HB2  ARG  25           HB3      ARG  25   2.992 -10.692  -4.609
  166    HG2  ARG  25           HG3      ARG  25   5.804 -11.201  -3.659
  167    HD2  ARG  25           HD3      ARG  25   3.165 -12.361  -2.774
  168    HE   ARG  25           HE       ARG  25   5.643 -12.248  -1.382
  169   HH11  ARG  25          HH12      ARG  25   2.925 -14.314  -2.072
  170   HH12  ARG  25          HH11      ARG  25   3.093 -15.239  -0.618
  171   HH21  ARG  25          HH21      ARG  25   5.875 -13.460   0.534
  172   HH22  ARG  25          HH22      ARG  25   4.772 -14.755   0.864
  173    H    LEU  26           H        LEU  26   2.503  -8.034  -5.901
  174    HA   LEU  26           HA       LEU  26   2.329  -8.867  -8.710
  175    HB2  LEU  26           HB3      LEU  26   0.256  -7.583  -6.934
  176    HG   LEU  26           HG       LEU  26   0.597  -9.949  -6.344
  177   HD11  LEU  26          HD11      LEU  26  -1.946  -9.412  -7.872
  178   HD12  LEU  26          HD12      LEU  26  -1.714 -10.684  -6.674
  179   HD13  LEU  26          HD13      LEU  26  -1.634  -8.990  -6.190
  180   HD21  LEU  26          HD21      LEU  26  -0.060 -10.469  -9.242
  181   HD22  LEU  26          HD22      LEU  26   1.504 -10.727  -8.471
  182   HD23  LEU  26          HD23      LEU  26   0.111 -11.695  -7.986
  183    H    GLN  27           H        GLN  27   3.489  -6.326  -6.903
  184    HA   GLN  27           HA       GLN  27   4.230  -4.252  -7.457
  185    HB2  GLN  27           HB3      GLN  27   3.332  -4.937 -10.263
  186    HG2  GLN  27           HG3      GLN  27   6.048  -5.244  -9.003
  187   HE21  GLN  27          HE22      GLN  27   4.690  -6.992 -11.679
  188   HE22  GLN  27          HE21      GLN  27   5.763  -6.381 -12.886
  189    H    THR  28           H        THR  28   1.416  -4.848  -6.714
  190    HA   THR  28           HA       THR  28  -0.227  -2.947  -8.101
  191    HB   THR  28           HB       THR  28  -0.709  -4.351  -5.466
  192    HG1  THR  28           HG1      THR  28  -1.319  -5.993  -6.655
  193   HG21  THR  28          HG21      THR  28  -3.064  -3.800  -5.835
  194   HG22  THR  28          HG22      THR  28  -2.635  -2.915  -7.299
  195   HG23  THR  28          HG23      THR  28  -2.085  -2.337  -5.727
  196    HA   PRO  29           HA       PRO  29   0.992   0.799  -6.071
  197    HB2  PRO  29           HB3      PRO  29  -1.921   1.423  -6.179
  198    HG2  PRO  29           HG3      PRO  29  -2.082   1.095  -8.483
  199    HD2  PRO  29           HD3      PRO  29  -2.040  -1.087  -7.714
  200    H    GLN  30           H        GLN  30   1.513   0.656  -3.973
  201    HA   GLN  30           HA       GLN  30   0.006  -0.585  -1.984
  202    HB2  GLN  30           HB3      GLN  30   2.150   1.525  -1.724
  203    HG2  GLN  30           HG3      GLN  30   2.291  -1.459  -1.385
  204   HE21  GLN  30          HE22      GLN  30   4.763   0.740  -2.458
  205   HE22  GLN  30          HE21      GLN  30   5.806   0.552  -1.094
  206    HA   PRO  31           HA       PRO  31  -1.328   4.063  -0.780
  207    HB2  PRO  31           HB3      PRO  31  -1.807   4.831  -3.624
  208    HG2  PRO  31           HG3      PRO  31   0.458   5.092  -4.099
  209    HD2  PRO  31           HD3      PRO  31   0.313   2.792  -4.124
  210    H    LEU  32           H        LEU  32  -2.470   2.216  -3.568
  211    HA   LEU  32           HA       LEU  32  -5.230   2.852  -3.184
  212    HB2  LEU  32           HB3      LEU  32  -4.300   2.209  -5.369
  213    HG   LEU  32           HG       LEU  32  -6.020   0.863  -6.203
  214   HD11  LEU  32          HD11      LEU  32  -7.135  -0.860  -5.092
  215   HD12  LEU  32          HD12      LEU  32  -5.454  -1.035  -4.590
  216   HD13  LEU  32          HD13      LEU  32  -6.629  -0.291  -3.503
  217   HD21  LEU  32          HD21      LEU  32  -7.100   2.080  -3.665
  218   HD22  LEU  32          HD22      LEU  32  -6.852   2.926  -5.192
  219   HD23  LEU  32          HD23      LEU  32  -8.043   1.630  -5.085
  220    H    ILE  33           H        ILE  33  -3.149   0.134  -2.308
  221    HA   ILE  33           HA       ILE  33  -4.972  -1.709  -1.416
  222    HB   ILE  33           HB       ILE  33  -2.357  -1.024  -0.068
  223   HG12  ILE  33          HG13      ILE  33  -2.071  -1.478  -2.456
  224   HG21  ILE  33          HG21      ILE  33  -3.749  -2.426   1.336
  225   HG22  ILE  33          HG22      ILE  33  -4.012  -3.543  -0.002
  226   HG23  ILE  33          HG23      ILE  33  -2.401  -3.362   0.691
  227   HD11  ILE  33          HD11      ILE  33  -3.425  -4.110  -1.929
  228   HD12  ILE  33          HD12      ILE  33  -4.072  -2.791  -2.901
  229   HD13  ILE  33          HD13      ILE  33  -2.615  -3.637  -3.422
  230    H    ASP  34           H        ASP  34  -3.970   1.266   0.136
  231    HA   ASP  34           HA       ASP  34  -4.915   0.848   2.713
  232    HB2  ASP  34           HB3      ASP  34  -3.600   2.806   2.153
  233    H    ALA  35           H        ALA  35  -6.611   1.745  -0.216
  234    HA   ALA  35           HA       ALA  35  -9.119   2.216   1.128
  235    HB1  ALA  35           HB1      ALA  35 -10.026   2.525  -1.117
  236    HB2  ALA  35           HB2      ALA  35  -8.540   3.453  -0.901
  237    HB3  ALA  35           HB3      ALA  35  -8.513   1.944  -1.815
  238    H    MET  36           H        MET  36  -7.502  -0.446  -0.411
  239    HA   MET  36           HA       MET  36  -9.712  -2.077  -0.985
  240    HB2  MET  36           HB3      MET  36  -7.515  -2.590  -1.870
  241    HG2  MET  36           HG3      MET  36  -8.387  -4.740   0.047
  242    HE1  MET  36           HE1      MET  36  -5.649  -5.240  -3.634
  243    HE2  MET  36           HE2      MET  36  -7.381  -4.937  -3.761
  244    HE3  MET  36           HE3      MET  36  -6.312  -3.695  -3.105
  245    H    LEU  37           H        LEU  37  -7.537  -2.158   1.836
  246    HA   LEU  37           HA       LEU  37  -9.230  -3.968   3.269
  247    HB2  LEU  37           HB3      LEU  37  -6.837  -2.324   4.072
  248    HG   LEU  37           HG       LEU  37  -7.105  -5.325   3.926
  249   HD11  LEU  37          HD11      LEU  37  -7.269  -4.482   1.693
  250   HD12  LEU  37          HD12      LEU  37  -5.912  -3.386   1.958
  251   HD13  LEU  37          HD13      LEU  37  -5.647  -5.128   1.930
  252   HD21  LEU  37          HD21      LEU  37  -4.693  -3.541   4.228
  253   HD22  LEU  37          HD22      LEU  37  -5.453  -4.463   5.527
  254   HD23  LEU  37          HD23      LEU  37  -4.694  -5.304   4.176
  255    H    GLU  38           H        GLU  38  -8.595  -0.490   3.389
  256    HA   GLU  38           HA       GLU  38 -10.127   0.113   5.649
  257    HB2  GLU  38           HB3      GLU  38  -8.595   1.727   4.681
  258    HG2  GLU  38           HG3      GLU  38  -9.949   3.737   4.589
  259    H    ARG  39           H        ARG  39 -11.029  -0.032   2.223
  260    HA   ARG  39           HA       ARG  39 -13.721   0.773   2.609
  261    HB2  ARG  39           HB3      ARG  39 -12.531   0.884   0.430
  262    HG2  ARG  39           HG3      ARG  39 -15.007  -0.827   0.339
  263    HD2  ARG  39           HD3      ARG  39 -13.698   0.923  -1.737
  264    HE   ARG  39           HE       ARG  39 -16.375   0.598  -1.543
  265   HH11  ARG  39          HH12      ARG  39 -13.982  -0.596  -3.775
  266   HH12  ARG  39          HH11      ARG  39 -15.075  -0.650  -5.118
  267   HH21  ARG  39          HH21      ARG  39 -17.819   0.535  -3.305
  268   HH22  ARG  39          HH22      ARG  39 -17.254  -0.003  -4.852
  269    H    MET  40           H        MET  40 -12.341  -2.438   1.902
  270    HA   MET  40           HA       MET  40 -14.620  -3.956   2.113
  271    HB2  MET  40           HB3      MET  40 -12.364  -4.783   1.436
  272    HG2  MET  40           HG3      MET  40 -12.492  -7.004   2.402
  273    HE1  MET  40           HE1      MET  40 -15.322  -8.374   2.984
  274    HE2  MET  40           HE2      MET  40 -15.859  -8.674   1.332
  275    HE3  MET  40           HE3      MET  40 -14.170  -8.935   1.772
  276    H    GLU  41           H        GLU  41 -12.543  -2.771   4.709
  277    HA   GLU  41           HA       GLU  41 -14.142  -4.097   6.733
  278    HB2  GLU  41           HB3      GLU  41 -11.641  -3.855   6.874
  279    HG2  GLU  41           HG3      GLU  41 -13.137  -4.200   8.899
  280    H    ALA  42           H        ALA  42 -14.008  -1.031   5.167
  281    HA   ALA  42           HA       ALA  42 -14.952   0.731   7.058
  282    HB1  ALA  42           HB1      ALA  42 -15.648   0.566   4.130
  283    HB2  ALA  42           HB2      ALA  42 -16.030   1.940   5.167
  284    HB3  ALA  42           HB3      ALA  42 -14.349   1.502   4.869
  285    H    MET  43           H        MET  43 -16.619  -1.911   5.549
  286    HA   MET  43           HA       MET  43 -19.234  -0.984   6.414
  287    HB2  MET  43           HB3      MET  43 -18.397  -3.568   5.082
  288    HG2  MET  43           HG3      MET  43 -19.764  -1.144   3.932
  289    HE1  MET  43           HE1      MET  43 -18.462  -4.827   3.472
  290    HE2  MET  43           HE2      MET  43 -18.704  -5.066   1.742
  291    HE3  MET  43           HE3      MET  43 -17.498  -3.914   2.312
  292    H    GLY  44           H        GLY  44 -16.691  -3.051   7.514
  293    HA2  GLY  44           HA2      GLY  44 -16.620  -3.581   9.878
  294    HA3  GLY  44           HA3      GLY  44 -18.369  -3.787   9.827
  295    H    LYS  45           H        LYS  45 -15.554  -5.082   8.051
  296    HA   LYS  45           HA       LYS  45 -16.830  -7.658   7.816
  297    HB2  LYS  45           HB3      LYS  45 -15.328  -6.623   6.062
  298    HG2  LYS  45           HG3      LYS  45 -14.154  -8.684   5.459
  299    HD2  LYS  45           HD3      LYS  45 -16.912  -9.176   6.577
  300    HE2  LYS  45           HE3      LYS  45 -17.087 -10.901   4.880
  301    HZ1  LYS  45           HZ1      LYS  45 -15.522 -12.499   5.791
  302    HZ2  LYS  45           HZ2      LYS  45 -16.225 -11.583   7.028
  303    HZ3  LYS  45           HZ3      LYS  45 -14.642 -11.257   6.527
  304    H    VAL  46           H        VAL  46 -13.680  -6.649   9.165
  305    HA   VAL  46           HA       VAL  46 -14.132  -8.270  11.514
  306    HB   VAL  46           HB       VAL  46 -11.677  -9.258  11.000
  307   HG11  VAL  46          HG11      VAL  46 -13.605 -10.523  11.768
  308   HG12  VAL  46          HG12      VAL  46 -14.301 -10.475  10.147
  309   HG13  VAL  46          HG13      VAL  46 -12.806 -11.362  10.438
  310   HG21  VAL  46          HG21      VAL  46 -11.595  -8.326   8.728
  311   HG22  VAL  46          HG22      VAL  46 -11.587 -10.088   8.704
  312   HG23  VAL  46          HG23      VAL  46 -13.064  -9.207   8.318
  313    H    VAL  47           H        VAL  47 -10.911  -7.500  10.308
  314    HA   VAL  47           HA       VAL  47 -10.788  -5.088  11.931
  315    HB   VAL  47           HB       VAL  47  -8.929  -7.417  12.432
  316   HG11  VAL  47          HG11      VAL  47  -7.782  -5.297  12.651
  317   HG12  VAL  47          HG12      VAL  47  -9.066  -4.681  13.693
  318   HG13  VAL  47          HG13      VAL  47  -8.040  -6.005  14.245
  319   HG21  VAL  47          HG21      VAL  47 -11.117  -7.822  13.401
  320   HG22  VAL  47          HG22      VAL  47  -9.945  -7.474  14.671
  321   HG23  VAL  47          HG23      VAL  47 -11.093  -6.234  14.168
  322    H    ARG  48           H        ARG  48  -8.840  -3.841  11.558
  323    HA   ARG  48           HA       ARG  48  -7.124  -4.663   9.366
  324    HB2  ARG  48           HB3      ARG  48  -7.657  -2.938   7.863
  325    HG2  ARG  48           HG3      ARG  48  -7.846  -1.034   9.340
  326    HD2  ARG  48           HD3      ARG  48 -10.462  -2.277  10.167
  327    HE   ARG  48           HE       ARG  48  -9.937   0.446  10.025
  328   HH11  ARG  48          HH12      ARG  48 -10.880  -1.900  12.422
  329   HH12  ARG  48          HH11      ARG  48 -11.758  -0.757  13.383
  330   HH21  ARG  48          HH21      ARG  48 -11.091   1.959  11.284
  331   HH22  ARG  48          HH22      ARG  48 -11.878   1.436  12.735
  332    H    ILE  49           H        ILE  49  -5.207  -3.445   9.191
  333    HA   ILE  49           HA       ILE  49  -4.737  -1.520  11.370
  334    HB   ILE  49           HB       ILE  49  -2.695  -3.526  10.413
  335   HG12  ILE  49          HG13      ILE  49  -4.581  -4.653  11.554
  336   HG21  ILE  49          HG21      ILE  49  -1.455  -2.830  12.400
  337   HG22  ILE  49          HG22      ILE  49  -1.772  -1.465  11.328
  338   HG23  ILE  49          HG23      ILE  49  -2.731  -1.676  12.793
  339   HD11  ILE  49          HD11      ILE  49  -3.852  -2.996  13.954
  340   HD12  ILE  49          HD12      ILE  49  -5.317  -2.796  12.991
  341   HD13  ILE  49          HD13      ILE  49  -5.045  -4.293  13.880
  342    H    SER  50           H        SER  50  -4.748   0.328  10.175
  343    HA   SER  50           HA       SER  50  -3.544   0.532   7.597
  344    HB2  SER  50           HB3      SER  50  -4.004   2.948   7.816
  345    HG   SER  50           HG       SER  50  -5.249   3.427   9.855
  346    H    GLU  51           H        GLU  51  -1.416   0.364   7.343
  347    HA   GLU  51           HA       GLU  51   0.321   1.869   9.187
  348    HB2  GLU  51           HB3      GLU  51   0.573  -0.568   9.472
  349    HG2  GLU  51           HG3      GLU  51   2.968  -0.787   9.138
  350    H    THR  52           H        THR  52   2.339   2.650   8.238
  351    HA   THR  52           HA       THR  52   2.077   3.156   5.344
  352    HB   THR  52           HB       THR  52   1.601   5.202   6.570
  353    HG1  THR  52           HG1      THR  52   2.641   5.949   4.874
  354   HG21  THR  52          HG21      THR  52   4.321   4.800   7.821
  355   HG22  THR  52          HG22      THR  52   2.765   4.724   8.649
  356   HG23  THR  52          HG23      THR  52   3.333   6.253   7.979
  357    H    SER  53           H        SER  53   4.206   3.879   4.357
  358    HA   SER  53           HA       SER  53   6.360   3.428   3.783
  359    HB2  SER  53           HB3      SER  53   6.679   2.876   6.743
  360    HG   SER  53           HG       SER  53   7.792   5.077   6.312
  361    H    GLU  54           H        GLU  54   7.834   1.678   3.366
  362    HA   GLU  54           HA       GLU  54   6.629  -0.749   2.827
  363    HB2  GLU  54           HB3      GLU  54   8.671  -0.093   1.719
  364    HG2  GLU  54           HG3      GLU  54   9.280  -2.521   3.390
  365    H    GLY  55           H        GLY  55   8.918  -0.060   5.483
  366    HA2  GLY  55           HA2      GLY  55   7.527  -1.407   7.472
  367    HA3  GLY  55           HA3      GLY  55   8.572  -2.597   6.714
  368    H    CYS  56           H        CYS  56   8.966   0.824   7.641
  369    HA   CYS  56           HA       CYS  56  11.309   0.010   9.228
  370    HB2  CYS  56           HB3      CYS  56  11.047   2.480   7.501
  371    HG   CYS  56           HG       CYS  56  12.126  -0.486   6.710
  372    H    LEU  57           H        LEU  57  11.986   1.872  10.740
  373    HA   LEU  57           HA       LEU  57  11.476   2.979  12.663
  374    HB2  LEU  57           HB3      LEU  57   9.445   4.208  10.800
  375    HG   LEU  57           HG       LEU  57  12.165   5.207  11.653
  376   HD11  LEU  57          HD11      LEU  57  11.070   4.234   9.027
  377   HD12  LEU  57          HD12      LEU  57  12.538   5.202   9.161
  378   HD13  LEU  57          HD13      LEU  57  12.456   3.619   9.928
  379   HD21  LEU  57          HD21      LEU  57  10.029   6.526   9.985
  380   HD22  LEU  57          HD22      LEU  57  10.573   7.031  11.585
  381   HD23  LEU  57          HD23      LEU  57  11.670   7.131  10.209
  382    H    SER  58           H        SER  58  10.023   0.441  12.066
  383    HA   SER  58           HA       SER  58   7.529   0.862  13.546
  384    HB2  SER  58           HB3      SER  58   6.979  -1.453  12.850
  385    HG   SER  58           HG       SER  58   9.299  -2.040  12.666
  386    H    GLY  59           H        GLY  59  10.341   0.825  14.670
  387    HA2  GLY  59           HA2      GLY  59  10.815  -1.529  16.102
  388    HA3  GLY  59           HA3      GLY  59  11.385   0.067  16.562
  389    H    SER  60           H        SER  60   9.116   1.421  17.153
  390    HA   SER  60           HA       SER  60   7.293  -0.041  18.761
  391    HB2  SER  60           HB3      SER  60   9.448   1.519  20.208
  392    HG   SER  60           HG       SER  60   8.892  -1.048  20.974
  393    H    CYS  61           H        CYS  61   5.475   1.087  18.639
  394    HA   CYS  61           HA       CYS  61   4.008   2.805  18.374
  395    HB2  CYS  61           HB3      CYS  61   6.109   4.285  19.970
  396    HG   CYS  61           HG       CYS  61   5.318   3.436  22.279
  397    H    LYS  62           H        LYS  62   3.732   5.068  17.479
  398    HA   LYS  62           HA       LYS  62   5.135   5.234  15.003
  399    HB2  LYS  62           HB3      LYS  62   3.205   7.169  16.293
  400    HG2  LYS  62           HG3      LYS  62   2.704   5.153  14.116
  401    HD2  LYS  62           HD3      LYS  62   0.375   5.775  14.391
  402    HE2  LYS  62           HE3      LYS  62   2.123   8.203  14.016
  403    HZ1  LYS  62           HZ1      LYS  62   0.301   9.020  12.673
  404    HZ2  LYS  62           HZ2      LYS  62  -0.223   8.754  14.260
  405    HZ3  LYS  62           HZ3      LYS  62  -0.627   7.655  13.039
  406    H    SER  63           H        SER  63   6.490   6.890  14.247
  407    HA   SER  63           HA       SER  63   7.891   8.352  16.378
  408    HB2  SER  63           HB3      SER  63   8.935   7.422  13.692
  409    HG   SER  63           HG       SER  63   9.496   6.566  16.341
  410    H    CYS  64           H        CYS  64   6.144   8.642  13.421
  411    HA   CYS  64           HA       CYS  64   7.022  11.350  12.898
  412    HB2  CYS  64           HB3      CYS  64   5.423  11.272  11.028
  413    HG   CYS  64           HG       CYS  64   4.097   8.741  12.691
  414    HA   PRO  65           HA       PRO  65   3.833  13.238  15.323
  415    HB2  PRO  65           HB3      PRO  65   3.991  15.751  14.414
  416    HG2  PRO  65           HG3      PRO  65   5.056  15.405  12.382
  417    HD2  PRO  65           HD3      PRO  65   6.056  13.406  11.899
  418    H    GLU  66           H        GLU  66   3.792  13.760  11.818
  419    HA   GLU  66           HA       GLU  66   0.866  14.064  11.941
  420    HB2  GLU  66           HB3      GLU  66   1.931  15.986  10.945
  421    HG2  GLU  66           HG3      GLU  66   1.040  15.999   8.663
  422    H    GLY  67           H        GLY  67   3.378  12.744   9.772
  423    HA2  GLY  67           HA2      GLY  67   3.384  10.444   9.092
  424    HA3  GLY  67           HA3      GLY  67   1.646  10.404   9.346
  425    H    LYS  68           H        LYS  68   2.948  13.156   7.737
  426    HA   LYS  68           HA       LYS  68   1.376  12.782   5.440
  427    HB2  LYS  68           HB3      LYS  68   2.165  14.986   6.188
  428    HG2  LYS  68           HG3      LYS  68   2.894  15.944   4.072
  429    HD2  LYS  68           HD3      LYS  68   0.874  13.746   3.643
  430    HE2  LYS  68           HE3      LYS  68  -0.080  15.240   1.983
  431    HZ1  LYS  68           HZ1      LYS  68   1.626  13.699   1.222
  432    HZ2  LYS  68           HZ2      LYS  68   2.825  14.858   1.508
  433    HZ3  LYS  68           HZ3      LYS  68   1.655  15.130   0.320
  434    H    ALA  69           H        ALA  69   1.655  11.051   4.169
  435    HA   ALA  69           HA       ALA  69   4.211  10.767   2.803
  436    HB1  ALA  69           HB1      ALA  69   2.911   8.433   4.198
  437    HB2  ALA  69           HB2      ALA  69   4.369   8.383   3.209
  438    HB3  ALA  69           HB3      ALA  69   4.371   9.261   4.738
  439    H    ALA  70           H        ALA  70   3.897   8.717   1.217
  440    HA   ALA  70           HA       ALA  70   1.352   9.221  -0.177
  441    HB1  ALA  70           HB1      ALA  70   2.516   8.639  -2.243
  442    HB2  ALA  70           HB2      ALA  70   3.314   9.977  -1.414
  443    HB3  ALA  70           HB3      ALA  70   3.998   8.353  -1.332
  444    H    CYS  71           H        CYS  71   3.826   6.645  -0.116
  445    HA   CYS  71           HA       CYS  71   1.996   4.597  -0.783
  446    HB2  CYS  71           HB3      CYS  71   3.824   3.053  -0.182
  447    HG   CYS  71           HG       CYS  71   4.708   4.830   2.113
  448    H    ARG  72           H        ARG  72   0.429   3.809   0.446
  449    HA   ARG  72           HA       ARG  72   0.947   3.339   3.288
  450    HB2  ARG  72           HB3      ARG  72  -1.298   4.216   3.873
  451    HG2  ARG  72           HG3      ARG  72  -1.313   5.521   1.168
  452    HD2  ARG  72           HD3      ARG  72  -3.492   5.209   3.211
  453    HE   ARG  72           HE       ARG  72  -3.499   6.287   0.590
  454   HH11  ARG  72          HH12      ARG  72  -4.743   6.826   3.796
  455   HH12  ARG  72          HH11      ARG  72  -6.145   7.682   3.248
  456   HH21  ARG  72          HH21      ARG  72  -5.339   7.413  -0.144
  457   HH22  ARG  72          HH22      ARG  72  -6.484   8.017   1.006
  458    H    GLN  73           H        GLN  73   0.236   1.417   3.967
  459    HA   GLN  73           HA       GLN  73  -1.899   0.066   2.492
  460    HB2  GLN  73           HB3      GLN  73  -0.525  -2.061   2.606
  461    HG2  GLN  73           HG3      GLN  73   1.946  -1.697   2.495
  462   HE21  GLN  73          HE22      GLN  73   2.853  -0.513   5.001
  463   HE22  GLN  73          HE21      GLN  73   2.255  -1.538   6.258
  464    H    GLU  74           H        GLU  74  -3.172  -1.268   3.719
  465    HA   GLU  74           HA       GLU  74  -2.664  -1.177   6.613
  466    HB2  GLU  74           HB3      GLU  74  -5.248  -2.263   5.740
  467    HG2  GLU  74           HG3      GLU  74  -4.989  -0.598   3.971
  468    H    TRP  75           H        TRP  75  -3.587  -3.156   7.813
  469    HA   TRP  75           HA       TRP  75  -2.799  -5.605   6.376
  470    HB2  TRP  75           HB3      TRP  75  -2.411  -5.105   9.333
  471    HD1  TRP  75           HD1      TRP  75  -0.748  -4.508   5.956
  472    HE1  TRP  75           HE1      TRP  75   1.513  -3.342   6.337
  473    HE3  TRP  75           HE3      TRP  75  -0.502  -4.861  11.051
  474    HZ2  TRP  75           HZ2      TRP  75   3.181  -2.663   8.508
  475    HZ3  TRP  75           HZ3      TRP  75   1.463  -3.928  12.201
  476    HH2  TRP  75           HH2      TRP  75   3.266  -2.853  10.955
  477    H    TRP  76           H        TRP  76  -4.376  -7.046   6.195
  478    HA   TRP  76           HA       TRP  76  -6.875  -6.661   7.550
  479    HB2  TRP  76           HB3      TRP  76  -6.703  -7.468   5.199
  480    HD1  TRP  76           HD1      TRP  76  -7.664 -10.690   7.004
  481    HE1  TRP  76           HE1      TRP  76 -10.228 -10.902   7.007
  482    HE3  TRP  76           HE3      TRP  76  -8.861  -6.082   5.142
  483    HZ2  TRP  76           HZ2      TRP  76 -12.464  -9.323   6.313
  484    HZ3  TRP  76           HZ3      TRP  76 -11.235  -5.512   4.841
  485    HH2  TRP  76           HH2      TRP  76 -12.999  -7.100   5.415
  486    H    ALA  77           H        ALA  77  -7.886  -8.042   9.010
  487    HA   ALA  77           HA       ALA  77  -6.506 -10.341  10.064
  488    HB1  ALA  77           HB1      ALA  77  -6.845  -7.903  11.807
  489    HB2  ALA  77           HB2      ALA  77  -6.311  -9.492  12.354
  490    HB3  ALA  77           HB3      ALA  77  -5.317  -8.569  11.228
  491    H    LEU  78           H        LEU  78  -7.883 -11.749  11.003
  492    HA   LEU  78           HA       LEU  78 -10.693 -10.922  11.182
  493    HB2  LEU  78           HB3      LEU  78  -9.453 -13.661  10.930
  494    HG   LEU  78           HG       LEU  78 -11.073 -12.056   8.955
  495   HD11  LEU  78          HD11      LEU  78  -9.029 -12.605   7.532
  496   HD12  LEU  78          HD12      LEU  78  -8.837 -11.382   8.788
  497   HD13  LEU  78          HD13      LEU  78  -8.235 -13.019   9.052
  498   HD21  LEU  78          HD21      LEU  78 -11.832 -14.360   8.954
  499   HD22  LEU  78          HD22      LEU  78 -10.882 -14.032   7.504
  500   HD23  LEU  78          HD23      LEU  78 -10.167 -14.931   8.842
  501    H    ARG  79           H        ARG  79 -12.001 -11.801  12.925
  502    HA   ARG  79           HA       ARG  79 -10.466 -12.457  15.344
  503    HB2  ARG  79           HB3      ARG  79 -12.106 -11.025  16.627
  504    HG2  ARG  79           HG3      ARG  79 -12.726  -9.977  13.875
  505    HD2  ARG  79           HD3      ARG  79 -13.485  -8.855  16.569
  506    HE   ARG  79           HE       ARG  79 -14.878  -8.533  14.265
  507   HH11  ARG  79          HH12      ARG  79 -12.950  -6.407  16.238
  508   HH12  ARG  79          HH11      ARG  79 -13.849  -4.989  15.814
  509   HH21  ARG  79          HH21      ARG  79 -16.070  -6.672  13.704
  510   HH22  ARG  79          HH22      ARG  79 -15.623  -5.140  14.377
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  -7.608  -5.624 -13.730
    2    H2   MET   1           H2       MET   1  -5.967  -5.814 -13.361
    3    H3   MET   1           H3       MET   1  -6.488  -4.458 -14.227
    4    HA   MET   1           HA       MET   1  -6.019  -3.872 -11.951
    5    HB2  MET   1           HB3      MET   1  -8.964  -3.871 -12.635
    6    HG2  MET   1           HG3      MET   1  -7.692  -2.760 -14.355
    7    HE1  MET   1           HE1      MET   1  -7.406  -0.168 -11.402
    8    HE2  MET   1           HE2      MET   1  -6.695  -1.638 -10.735
    9    HE3  MET   1           HE3      MET   1  -5.676  -0.234 -11.061
   10    H    ALA   2           H        ALA   2  -5.434  -5.140 -10.300
   11    HA   ALA   2           HA       ALA   2  -6.846  -7.423  -9.427
   12    HB1  ALA   2           HB1      ALA   2  -4.777  -5.770  -7.981
   13    HB2  ALA   2           HB2      ALA   2  -5.329  -7.374  -7.494
   14    HB3  ALA   2           HB3      ALA   2  -4.468  -7.163  -9.019
   15    H    SER   3           H        SER   3  -8.377  -7.720  -7.903
   16    HA   SER   3           HA       SER   3  -9.429  -5.311  -6.575
   17    HB2  SER   3           HB3      SER   3 -10.876  -7.861  -7.334
   18    HG   SER   3           HG       SER   3 -10.790  -5.269  -8.448
   19    H    LEU   4           H        LEU   4 -10.877  -6.123  -4.585
   20    HA   LEU   4           HA       LEU   4  -8.978  -7.274  -2.753
   21    HB2  LEU   4           HB3      LEU   4 -10.651  -6.784  -1.034
   22    HG   LEU   4           HG       LEU   4 -12.414  -5.985  -3.342
   23   HD11  LEU   4          HD11      LEU   4 -14.081  -7.201  -1.803
   24   HD12  LEU   4          HD12      LEU   4 -12.932  -8.166  -2.726
   25   HD13  LEU   4          HD13      LEU   4 -12.648  -7.856  -1.014
   26   HD21  LEU   4          HD21      LEU   4 -12.296  -4.092  -1.831
   27   HD22  LEU   4          HD22      LEU   4 -13.862  -4.889  -1.692
   28   HD23  LEU   4          HD23      LEU   4 -12.630  -5.142  -0.456
   29    H    MET   5           H        MET   5 -11.451  -8.505  -4.732
   30    HA   MET   5           HA       MET   5 -12.551 -10.542  -3.201
   31    HB2  MET   5           HB3      MET   5 -11.901 -10.519  -6.154
   32    HG2  MET   5           HG3      MET   5 -14.487  -9.956  -4.721
   33    HE1  MET   5           HE1      MET   5 -16.623  -9.209  -6.098
   34    HE2  MET   5           HE2      MET   5 -15.640  -7.944  -6.837
   35    HE3  MET   5           HE3      MET   5 -16.622  -9.002  -7.850
   36    H    GLU   6           H        GLU   6  -9.594 -10.559  -5.163
   37    HA   GLU   6           HA       GLU   6  -8.892 -13.234  -4.804
   38    HB2  GLU   6           HB3      GLU   6  -7.153 -10.798  -5.174
   39    HG2  GLU   6           HG3      GLU   6  -8.057 -12.877  -7.154
   40    H    VAL   7           H        VAL   7  -7.440 -10.452  -3.091
   41    HA   VAL   7           HA       VAL   7  -6.114 -11.954  -1.152
   42    HB   VAL   7           HB       VAL   7  -5.933  -9.915   0.154
   43   HG11  VAL   7          HG11      VAL   7  -4.941  -8.444  -1.526
   44   HG12  VAL   7          HG12      VAL   7  -4.516 -10.131  -1.822
   45   HG13  VAL   7          HG13      VAL   7  -5.756  -9.348  -2.804
   46   HG21  VAL   7          HG21      VAL   7  -8.008  -8.779  -1.720
   47   HG22  VAL   7          HG22      VAL   7  -8.233  -9.138  -0.008
   48   HG23  VAL   7          HG23      VAL   7  -7.116  -7.866  -0.502
   49    H    ARG   8           H        ARG   8  -9.378 -10.671  -1.244
   50    HA   ARG   8           HA       ARG   8 -10.218 -11.000   1.347
   51    HB2  ARG   8           HB3      ARG   8 -11.649 -10.007  -0.310
   52    HG2  ARG   8           HG3      ARG   8 -12.966 -12.583   0.517
   53    HD2  ARG   8           HD3      ARG   8 -14.046  -9.853  -0.165
   54    HE   ARG   8           HE       ARG   8 -15.230 -11.794   1.494
   55   HH11  ARG   8          HH12      ARG   8 -15.968  -9.757  -1.231
   56   HH12  ARG   8          HH11      ARG   8 -17.658  -9.658  -0.864
   57   HH21  ARG   8          HH21      ARG   8 -17.454 -11.668   1.989
   58   HH22  ARG   8          HH22      ARG   8 -18.503 -10.742   0.967
   59    H    ASP   9           H        ASP   9 -10.383 -13.450  -1.239
   60    HA   ASP   9           HA       ASP   9 -11.320 -15.532   0.413
   61    HB2  ASP   9           HB3      ASP   9  -9.808 -15.625  -2.204
   62    H    MET  10           H        MET  10  -8.050 -14.669  -0.670
   63    HA   MET  10           HA       MET  10  -6.624 -16.760   0.434
   64    HB2  MET  10           HB3      MET  10  -5.800 -13.853   0.271
   65    HG2  MET  10           HG3      MET  10  -5.322 -16.106  -1.667
   66    HE1  MET  10           HE1      MET  10  -5.227 -14.245  -4.242
   67    HE2  MET  10           HE2      MET  10  -3.489 -14.002  -4.421
   68    HE3  MET  10           HE3      MET  10  -4.116 -15.592  -3.985
   69    H    LEU  11           H        LEU  11  -7.548 -13.689   1.967
   70    HA   LEU  11           HA       LEU  11  -6.381 -14.185   4.469
   71    HB2  LEU  11           HB3      LEU  11  -8.559 -12.400   3.479
   72    HG   LEU  11           HG       LEU  11  -7.180 -10.617   4.495
   73   HD11  LEU  11          HD11      LEU  11  -6.148 -12.092   6.227
   74   HD12  LEU  11          HD12      LEU  11  -5.122 -12.763   4.961
   75   HD13  LEU  11          HD13      LEU  11  -5.009 -11.051   5.371
   76   HD21  LEU  11          HD21      LEU  11  -5.919 -12.446   2.470
   77   HD22  LEU  11          HD22      LEU  11  -6.826 -10.958   2.195
   78   HD23  LEU  11          HD23      LEU  11  -5.218 -10.889   2.912
   79    H    ALA  12           H        ALA  12  -9.684 -14.760   3.298
   80    HA   ALA  12           HA       ALA  12 -10.786 -15.764   5.649
   81    HB1  ALA  12           HB1      ALA  12 -12.104 -15.169   3.671
   82    HB2  ALA  12           HB2      ALA  12 -11.451 -16.569   2.820
   83    HB3  ALA  12           HB3      ALA  12 -12.478 -16.798   4.236
   84    H    LEU  13           H        LEU  13  -8.559 -17.205   3.438
   85    HA   LEU  13           HA       LEU  13  -8.965 -19.858   4.610
   86    HB2  LEU  13           HB3      LEU  13  -7.320 -18.970   2.240
   87    HG   LEU  13           HG       LEU  13  -9.896 -19.050   2.013
   88   HD11  LEU  13          HD11      LEU  13  -8.398 -18.914   0.115
   89   HD12  LEU  13          HD12      LEU  13  -8.118 -20.654   0.184
   90   HD13  LEU  13          HD13      LEU  13  -9.716 -20.033  -0.227
   91   HD21  LEU  13          HD21      LEU  13 -10.808 -21.274   1.590
   92   HD22  LEU  13          HD22      LEU  13  -9.268 -21.998   2.050
   93   HD23  LEU  13          HD23      LEU  13 -10.226 -21.128   3.248
   94    H    GLN  14           H        GLN  14  -6.805 -17.169   4.654
   95    HA   GLN  14           HA       GLN  14  -4.781 -18.763   6.070
   96    HB2  GLN  14           HB3      GLN  14  -4.592 -16.075   4.711
   97    HG2  GLN  14           HG3      GLN  14  -4.481 -18.049   3.233
   98   HE21  GLN  14          HE22      GLN  14  -3.434 -19.898   2.533
   99   HE22  GLN  14          HE21      GLN  14  -2.405 -20.825   3.566
  100    H    GLY  15           H        GLY  15  -5.721 -15.329   6.229
  101    HA2  GLY  15           HA2      GLY  15  -6.788 -14.292   8.083
  102    HA3  GLY  15           HA3      GLY  15  -6.345 -15.673   9.073
  103    H    ARG  16           H        ARG  16  -5.930 -12.636   9.187
  104    HA   ARG  16           HA       ARG  16  -4.389 -11.208  10.049
  105    HB2  ARG  16           HB3      ARG  16  -2.980 -13.787  10.752
  106    HG2  ARG  16           HG3      ARG  16  -3.762 -13.342  13.028
  107    HD2  ARG  16           HD3      ARG  16  -6.134 -13.321  11.185
  108    HE   ARG  16           HE       ARG  16  -5.908 -13.890  13.902
  109   HH11  ARG  16          HH12      ARG  16  -7.202 -15.331  11.008
  110   HH12  ARG  16          HH11      ARG  16  -8.466 -16.176  11.837
  111   HH21  ARG  16          HH21      ARG  16  -7.570 -15.000  15.006
  112   HH22  ARG  16          HH22      ARG  16  -8.676 -15.988  14.110
  113    H    MET  17           H        MET  17  -3.980 -10.474   7.872
  114    HA   MET  17           HA       MET  17  -1.189 -10.606   7.220
  115    HB2  MET  17           HB3      MET  17  -3.218 -11.800   5.330
  116    HG2  MET  17           HG3      MET  17  -0.707 -12.899   6.564
  117    HE1  MET  17           HE1      MET  17  -0.597 -16.383   4.830
  118    HE2  MET  17           HE2      MET  17   0.103 -15.327   6.058
  119    HE3  MET  17           HE3      MET  17  -1.517 -15.981   6.281
  120    H    GLU  18           H        GLU  18  -0.814  -9.356   5.069
  121    HA   GLU  18           HA       GLU  18  -2.690  -7.086   4.954
  122    HB2  GLU  18           HB3      GLU  18   0.299  -6.883   4.590
  123    HG2  GLU  18           HG3      GLU  18  -1.308  -6.258   7.055
  124    H    ALA  19           H        ALA  19  -2.823  -5.994   2.923
  125    HA   ALA  19           HA       ALA  19  -2.557  -7.801   0.686
  126    HB1  ALA  19           HB1      ALA  19  -4.587  -6.573   0.788
  127    HB2  ALA  19           HB2      ALA  19  -3.727  -5.042   0.951
  128    HB3  ALA  19           HB3      ALA  19  -3.664  -5.930  -0.570
  129    H    LYS  20           H        LYS  20  -0.762  -5.195   2.034
  130    HA   LYS  20           HA       LYS  20   0.462  -4.071  -0.180
  131    HB2  LYS  20           HB3      LYS  20   2.243  -3.391   1.299
  132    HG2  LYS  20           HG3      LYS  20   1.215  -5.491   3.190
  133    HD2  LYS  20           HD3      LYS  20   3.110  -3.193   3.632
  134    HE2  LYS  20           HE3      LYS  20   3.480  -4.202   5.875
  135    HZ1  LYS  20           HZ1      LYS  20   5.063  -5.864   5.136
  136    HZ2  LYS  20           HZ2      LYS  20   5.137  -4.500   4.138
  137    HZ3  LYS  20           HZ3      LYS  20   4.355  -5.901   3.602
  138    H    GLN  21           H        GLN  21   1.430  -6.952   1.657
  139    HA   GLN  21           HA       GLN  21   3.725  -7.519   0.102
  140    HB2  GLN  21           HB3      GLN  21   2.023  -9.270   1.879
  141    HG2  GLN  21           HG3      GLN  21   3.335  -7.440   2.969
  142   HE21  GLN  21          HE22      GLN  21   5.750  -8.455   4.236
  143   HE22  GLN  21          HE21      GLN  21   7.050  -8.097   3.153
  144    H    LEU  22           H        LEU  22   0.531  -9.107   0.145
  145    HA   LEU  22           HA       LEU  22   0.955 -10.783  -2.039
  146    HB2  LEU  22           HB3      LEU  22  -1.635  -9.540  -1.114
  147    HG   LEU  22           HG       LEU  22  -0.586 -10.864   0.682
  148   HD11  LEU  22          HD11      LEU  22  -2.462 -12.389   1.066
  149   HD12  LEU  22          HD12      LEU  22  -3.011 -10.813   0.495
  150   HD13  LEU  22          HD13      LEU  22  -2.966 -12.187  -0.612
  151   HD21  LEU  22          HD21      LEU  22  -0.284 -13.279   0.378
  152   HD22  LEU  22          HD22      LEU  22  -0.675 -13.106  -1.332
  153   HD23  LEU  22          HD23      LEU  22   0.776 -12.346  -0.679
  154    H    SER  23           H        SER  23  -0.093  -7.432  -1.904
  155    HA   SER  23           HA       SER  23  -0.928  -7.180  -4.582
  156    HB2  SER  23           HB3      SER  23  -0.683  -4.755  -4.226
  157    HG   SER  23           HG       SER  23   0.614  -4.008  -2.759
  158    H    ALA  24           H        ALA  24   2.210  -6.624  -3.028
  159    HA   ALA  24           HA       ALA  24   3.540  -5.633  -5.301
  160    HB1  ALA  24           HB1      ALA  24   5.594  -6.078  -4.095
  161    HB2  ALA  24           HB2      ALA  24   4.388  -5.396  -3.003
  162    HB3  ALA  24           HB3      ALA  24   4.733  -7.125  -2.968
  163    H    ARG  25           H        ARG  25   3.147  -8.926  -4.056
  164    HA   ARG  25           HA       ARG  25   4.894 -10.218  -5.828
  165    HB2  ARG  25           HB3      ARG  25   2.387 -11.254  -4.498
  166    HG2  ARG  25           HG3      ARG  25   5.278 -11.565  -3.717
  167    HD2  ARG  25           HD3      ARG  25   2.750 -12.557  -2.407
  168    HE   ARG  25           HE       ARG  25   5.328 -12.184  -1.290
  169   HH11  ARG  25          HH12      ARG  25   2.665 -14.426  -1.399
  170   HH12  ARG  25          HH11      ARG  25   3.002 -15.103   0.158
  171   HH21  ARG  25          HH21      ARG  25   5.782 -13.070   0.762
  172   HH22  ARG  25          HH22      ARG  25   4.774 -14.333   1.389
  173    H    LEU  26           H        LEU  26   1.722  -8.922  -6.308
  174    HA   LEU  26           HA       LEU  26   1.576 -10.232  -8.941
  175    HB2  LEU  26           HB3      LEU  26  -0.627  -9.040  -7.260
  176    HG   LEU  26           HG       LEU  26  -0.037 -11.230  -6.406
  177   HD11  LEU  26          HD11      LEU  26  -2.399 -10.665  -6.485
  178   HD12  LEU  26          HD12      LEU  26  -2.517 -11.320  -8.118
  179   HD13  LEU  26          HD13      LEU  26  -2.164 -12.391  -6.763
  180   HD21  LEU  26          HD21      LEU  26  -0.367 -12.177  -9.251
  181   HD22  LEU  26          HD22      LEU  26   1.144 -12.097  -8.345
  182   HD23  LEU  26          HD23      LEU  26  -0.127 -13.215  -7.846
  183    H    GLN  27           H        GLN  27   2.639  -7.437  -7.689
  184    HA   GLN  27           HA       GLN  27   3.093  -5.394  -8.571
  185    HB2  GLN  27           HB3      GLN  27   1.881  -6.490 -11.114
  186    HG2  GLN  27           HG3      GLN  27   3.757  -7.880 -10.367
  187   HE21  GLN  27          HE22      GLN  27   5.607  -5.319 -11.796
  188   HE22  GLN  27          HE21      GLN  27   6.712  -5.109 -10.486
  189    H    THR  28           H        THR  28   1.761  -4.099  -7.406
  190    HA   THR  28           HA       THR  28  -0.488  -2.950  -8.758
  191    HB   THR  28           HB       THR  28  -1.033  -4.458  -6.192
  192    HG1  THR  28           HG1      THR  28  -1.875  -5.983  -7.433
  193   HG21  THR  28          HG21      THR  28  -3.330  -3.751  -6.473
  194   HG22  THR  28          HG22      THR  28  -2.922  -2.910  -7.969
  195   HG23  THR  28          HG23      THR  28  -2.284  -2.331  -6.430
  196    HA   PRO  29           HA       PRO  29   0.923   0.670  -6.643
  197    HB2  PRO  29           HB3      PRO  29  -2.015   1.146  -6.326
  198    HG2  PRO  29           HG3      PRO  29  -2.384   1.098  -8.628
  199    HD2  PRO  29           HD3      PRO  29  -2.148  -1.157  -8.275
  200    H    GLN  30           H        GLN  30   1.749   0.348  -4.666
  201    HA   GLN  30           HA       GLN  30   0.558  -1.085  -2.593
  202    HB2  GLN  30           HB3      GLN  30   2.981  -0.563  -2.756
  203    HG2  GLN  30           HG3      GLN  30   1.717   0.321  -0.173
  204   HE21  GLN  30          HE22      GLN  30   3.329   1.761   0.395
  205   HE22  GLN  30          HE21      GLN  30   4.942   1.255   0.754
  206    HA   PRO  31           HA       PRO  31  -0.670   3.374  -0.822
  207    HB2  PRO  31           HB3      PRO  31  -1.472   4.496  -3.461
  208    HG2  PRO  31           HG3      PRO  31   0.710   4.783  -4.216
  209    HD2  PRO  31           HD3      PRO  31   0.458   2.502  -4.486
  210    H    LEU  32           H        LEU  32  -2.322   2.594  -3.897
  211    HA   LEU  32           HA       LEU  32  -4.921   2.972  -3.132
  212    HB2  LEU  32           HB3      LEU  32  -4.114   2.372  -5.417
  213    HG   LEU  32           HG       LEU  32  -6.020   1.184  -6.206
  214   HD11  LEU  32          HD11      LEU  32  -7.111  -0.454  -5.129
  215   HD12  LEU  32          HD12      LEU  32  -5.665  -0.503  -4.120
  216   HD13  LEU  32          HD13      LEU  32  -7.086   0.399  -3.587
  217   HD21  LEU  32          HD21      LEU  32  -6.465   3.425  -5.336
  218   HD22  LEU  32          HD22      LEU  32  -7.855   2.363  -5.122
  219   HD23  LEU  32          HD23      LEU  32  -6.815   2.741  -3.749
  220    H    ILE  33           H        ILE  33  -2.833   0.283  -2.338
  221    HA   ILE  33           HA       ILE  33  -4.639  -1.630  -1.505
  222    HB   ILE  33           HB       ILE  33  -2.044  -0.963  -0.111
  223   HG12  ILE  33          HG13      ILE  33  -1.657  -1.251  -2.497
  224   HG21  ILE  33          HG21      ILE  33  -2.053  -3.363   0.469
  225   HG22  ILE  33          HG22      ILE  33  -3.408  -2.481   1.176
  226   HG23  ILE  33          HG23      ILE  33  -3.663  -3.501  -0.240
  227   HD11  ILE  33          HD11      ILE  33  -3.659  -2.490  -3.118
  228   HD12  ILE  33          HD12      ILE  33  -2.194  -3.309  -3.662
  229   HD13  ILE  33          HD13      ILE  33  -3.059  -3.898  -2.242
  230    H    ASP  34           H        ASP  34  -3.653   1.327   0.114
  231    HA   ASP  34           HA       ASP  34  -4.510   0.859   2.695
  232    HB2  ASP  34           HB3      ASP  34  -4.688   3.231   2.971
  233    H    ALA  35           H        ALA  35  -6.380   1.619  -0.164
  234    HA   ALA  35           HA       ALA  35  -8.868   1.880   1.272
  235    HB1  ALA  35           HB1      ALA  35  -8.355   1.658  -1.694
  236    HB2  ALA  35           HB2      ALA  35  -9.880   2.114  -0.934
  237    HB3  ALA  35           HB3      ALA  35  -8.470   3.159  -0.776
  238    H    MET  36           H        MET  36  -7.086  -0.623  -0.357
  239    HA   MET  36           HA       MET  36  -9.117  -2.454  -0.892
  240    HB2  MET  36           HB3      MET  36  -6.781  -2.706  -1.663
  241    HG2  MET  36           HG3      MET  36  -7.628  -5.061   0.008
  242    HE1  MET  36           HE1      MET  36  -5.627  -3.600  -3.052
  243    HE2  MET  36           HE2      MET  36  -4.975  -5.071  -3.772
  244    HE3  MET  36           HE3      MET  36  -6.711  -4.765  -3.810
  245    H    LEU  37           H        LEU  37  -7.040  -2.231   1.996
  246    HA   LEU  37           HA       LEU  37  -8.611  -4.162   3.430
  247    HB2  LEU  37           HB3      LEU  37  -6.312  -2.371   4.140
  248    HG   LEU  37           HG       LEU  37  -6.582  -5.367   4.396
  249   HD11  LEU  37          HD11      LEU  37  -6.633  -4.795   2.062
  250   HD12  LEU  37          HD12      LEU  37  -5.258  -3.710   2.259
  251   HD13  LEU  37          HD13      LEU  37  -5.045  -5.450   2.464
  252   HD21  LEU  37          HD21      LEU  37  -5.001  -4.379   5.959
  253   HD22  LEU  37          HD22      LEU  37  -4.156  -5.291   4.705
  254   HD23  LEU  37          HD23      LEU  37  -4.205  -3.530   4.633
  255    H    GLU  38           H        GLU  38  -8.235  -0.637   3.505
  256    HA   GLU  38           HA       GLU  38  -9.892  -0.108   5.692
  257    HB2  GLU  38           HB3      GLU  38  -8.429   1.581   4.710
  258    HG2  GLU  38           HG3      GLU  38 -11.306   2.427   4.462
  259    H    ARG  39           H        ARG  39 -10.659  -0.531   2.270
  260    HA   ARG  39           HA       ARG  39 -13.409   0.165   2.523
  261    HB2  ARG  39           HB3      ARG  39 -12.307   0.324   0.371
  262    HG2  ARG  39           HG3      ARG  39 -14.350  -1.887   0.327
  263    HD2  ARG  39           HD3      ARG  39 -13.077  -1.767  -1.760
  264    HE   ARG  39           HE       ARG  39 -13.288   1.047  -1.463
  265   HH11  ARG  39          HH12      ARG  39 -13.256  -1.490  -3.848
  266   HH12  ARG  39          HH11      ARG  39 -12.631  -0.476  -5.108
  267   HH21  ARG  39          HH21      ARG  39 -12.467   2.391  -3.113
  268   HH22  ARG  39          HH22      ARG  39 -12.181   1.730  -4.688
  269    H    MET  40           H        MET  40 -11.822  -2.987   1.999
  270    HA   MET  40           HA       MET  40 -14.010  -4.630   2.192
  271    HB2  MET  40           HB3      MET  40 -11.845  -5.500   1.589
  272    HG2  MET  40           HG3      MET  40 -12.449  -6.809   4.220
  273    HE1  MET  40           HE1      MET  40  -9.729  -7.202   4.091
  274    HE2  MET  40           HE2      MET  40  -8.950  -8.061   2.763
  275    HE3  MET  40           HE3      MET  40  -9.605  -6.444   2.504
  276    H    GLU  41           H        GLU  41 -12.113  -3.246   4.833
  277    HA   GLU  41           HA       GLU  41 -13.678  -4.588   6.855
  278    HB2  GLU  41           HB3      GLU  41 -11.187  -3.863   6.970
  279    HG2  GLU  41           HG3      GLU  41 -12.417  -4.802   8.897
  280    H    ALA  42           H        ALA  42 -13.769  -1.593   5.134
  281    HA   ALA  42           HA       ALA  42 -15.071   0.122   6.843
  282    HB1  ALA  42           HB1      ALA  42 -15.987   1.209   4.867
  283    HB2  ALA  42           HB2      ALA  42 -14.307   0.742   4.600
  284    HB3  ALA  42           HB3      ALA  42 -15.609  -0.213   3.895
  285    H    MET  43           H        MET  43 -16.334  -2.698   5.220
  286    HA   MET  43           HA       MET  43 -19.088  -2.042   5.793
  287    HB2  MET  43           HB3      MET  43 -17.822  -4.580   4.745
  288    HG2  MET  43           HG3      MET  43 -17.657  -2.727   3.167
  289    HE1  MET  43           HE1      MET  43 -19.808  -2.292   0.808
  290    HE2  MET  43           HE2      MET  43 -20.368  -0.668   1.211
  291    HE3  MET  43           HE3      MET  43 -18.654  -1.068   1.341
  292    H    GLY  44           H        GLY  44 -16.507  -3.832   7.276
  293    HA2  GLY  44           HA2      GLY  44 -16.694  -4.119   9.706
  294    HA3  GLY  44           HA3      GLY  44 -18.368  -4.592   9.441
  295    H    LYS  45           H        LYS  45 -15.359  -5.581   7.821
  296    HA   LYS  45           HA       LYS  45 -16.132  -8.306   7.723
  297    HB2  LYS  45           HB3      LYS  45 -14.504  -7.104   6.179
  298    HG2  LYS  45           HG3      LYS  45 -13.014  -9.021   5.851
  299    HD2  LYS  45           HD3      LYS  45 -15.854  -9.813   6.492
  300    HE2  LYS  45           HE3      LYS  45 -15.534 -11.561   4.838
  301    HZ1  LYS  45           HZ1      LYS  45 -14.993 -12.137   7.111
  302    HZ2  LYS  45           HZ2      LYS  45 -13.399 -11.609   6.900
  303    HZ3  LYS  45           HZ3      LYS  45 -13.964 -12.953   6.046
  304    H    VAL  46           H        VAL  46 -13.306  -6.915   9.393
  305    HA   VAL  46           HA       VAL  46 -13.954  -8.321  11.826
  306    HB   VAL  46           HB       VAL  46 -11.427  -9.224  11.715
  307   HG11  VAL  46          HG11      VAL  46 -13.387 -10.517  12.346
  308   HG12  VAL  46          HG12      VAL  46 -13.856 -10.659  10.652
  309   HG13  VAL  46          HG13      VAL  46 -12.379 -11.430  11.225
  310   HG21  VAL  46          HG21      VAL  46 -10.828 -10.097   9.602
  311   HG22  VAL  46          HG22      VAL  46 -12.406  -9.720   8.914
  312   HG23  VAL  46          HG23      VAL  46 -11.285  -8.420   9.306
  313    H    VAL  47           H        VAL  47 -10.657  -7.495  10.872
  314    HA   VAL  47           HA       VAL  47 -10.833  -4.983  12.363
  315    HB   VAL  47           HB       VAL  47  -8.739  -7.087  12.930
  316   HG11  VAL  47          HG11      VAL  47  -9.192  -4.365  14.153
  317   HG12  VAL  47          HG12      VAL  47  -8.007  -5.553  14.699
  318   HG13  VAL  47          HG13      VAL  47  -7.856  -4.828  13.098
  319   HG21  VAL  47          HG21      VAL  47 -10.892  -7.698  13.887
  320   HG22  VAL  47          HG22      VAL  47  -9.764  -7.219  15.155
  321   HG23  VAL  47          HG23      VAL  47 -11.029  -6.106  14.634
  322    H    ARG  48           H        ARG  48  -9.519  -3.390  11.609
  323    HA   ARG  48           HA       ARG  48  -7.415  -4.072   9.697
  324    HB2  ARG  48           HB3      ARG  48  -9.390  -3.656   8.327
  325    HG2  ARG  48           HG3      ARG  48  -7.048  -2.572   7.772
  326    HD2  ARG  48           HD3      ARG  48  -7.375  -0.488   8.948
  327    HE   ARG  48           HE       ARG  48 -10.002  -0.539   8.028
  328   HH11  ARG  48          HH12      ARG  48  -7.375   1.724   8.329
  329   HH12  ARG  48          HH11      ARG  48  -8.408   3.103   8.501
  330   HH21  ARG  48          HH21      ARG  48 -11.375   1.269   8.250
  331   HH22  ARG  48          HH22      ARG  48 -10.685   2.845   8.455
  332    H    ILE  49           H        ILE  49  -5.627  -2.914  10.007
  333    HA   ILE  49           HA       ILE  49  -5.836  -0.399  11.528
  334    HB   ILE  49           HB       ILE  49  -3.631  -2.454  11.751
  335   HG12  ILE  49          HG13      ILE  49  -4.519  -2.409  14.205
  336   HG21  ILE  49          HG21      ILE  49  -2.775  -0.198  11.986
  337   HG22  ILE  49          HG22      ILE  49  -4.020   0.172  13.181
  338   HG23  ILE  49          HG23      ILE  49  -2.769  -1.017  13.548
  339   HD11  ILE  49          HD11      ILE  49  -4.703  -4.362  12.676
  340   HD12  ILE  49          HD12      ILE  49  -6.010  -4.216  13.848
  341   HD13  ILE  49          HD13      ILE  49  -6.273  -3.746  12.170
  342    H    SER  50           H        SER  50  -5.205   1.277  10.347
  343    HA   SER  50           HA       SER  50  -3.717   0.944   7.920
  344    HB2  SER  50           HB3      SER  50  -5.446   2.636   8.004
  345    HG   SER  50           HG       SER  50  -3.835   3.301   6.674
  346    H    GLU  51           H        GLU  51  -1.586   0.910   7.712
  347    HA   GLU  51           HA       GLU  51   0.055   2.283   9.738
  348    HB2  GLU  51           HB3      GLU  51   0.167  -0.145  10.073
  349    HG2  GLU  51           HG3      GLU  51   2.698   0.898   8.824
  350    H    THR  52           H        THR  52   1.796   3.443   8.998
  351    HA   THR  52           HA       THR  52   1.855   3.934   6.123
  352    HB   THR  52           HB       THR  52   1.758   5.867   7.664
  353    HG1  THR  52           HG1      THR  52   4.063   5.553   6.028
  354   HG21  THR  52          HG21      THR  52   3.078   4.944   9.505
  355   HG22  THR  52          HG22      THR  52   3.750   6.480   8.958
  356   HG23  THR  52          HG23      THR  52   4.519   4.963   8.488
  357    H    SER  53           H        SER  53   3.495   3.401   4.802
  358    HA   SER  53           HA       SER  53   5.396   1.472   5.617
  359    HB2  SER  53           HB3      SER  53   4.539   1.577   3.317
  360    HG   SER  53           HG       SER  53   6.660   0.715   3.682
  361    H    GLU  54           H        GLU  54   7.039   1.921   6.930
  362    HA   GLU  54           HA       GLU  54   8.689   4.280   6.327
  363    HB2  GLU  54           HB3      GLU  54   9.073   4.583   8.747
  364    HG2  GLU  54           HG3      GLU  54   6.896   2.534   9.092
  365    H    GLY  55           H        GLY  55   8.867   1.333   5.720
  366    HA2  GLY  55           HA2      GLY  55  11.397   0.749   7.124
  367    HA3  GLY  55           HA3      GLY  55  10.336  -0.469   6.431
  368    H    CYS  56           H        CYS  56   9.956   1.291   4.015
  369    HA   CYS  56           HA       CYS  56  12.209   0.249   2.540
  370    HB2  CYS  56           HB3      CYS  56   9.838   1.885   1.618
  371    HG   CYS  56           HG       CYS  56   9.917  -1.228   2.498
  372    H    LEU  57           H        LEU  57  10.712   3.488   2.524
  373    HA   LEU  57           HA       LEU  57  13.252   4.666   1.773
  374    HB2  LEU  57           HB3      LEU  57  10.522   5.872   2.211
  375    HG   LEU  57           HG       LEU  57  12.061   5.448  -0.354
  376   HD11  LEU  57          HD11      LEU  57  11.135   3.368   0.270
  377   HD12  LEU  57          HD12      LEU  57   9.625   4.113   0.795
  378   HD13  LEU  57          HD13      LEU  57  10.031   4.059  -0.919
  379   HD21  LEU  57          HD21      LEU  57  10.070   6.375  -1.437
  380   HD22  LEU  57          HD22      LEU  57   9.367   6.707   0.145
  381   HD23  LEU  57          HD23      LEU  57  10.832   7.548  -0.362
  382    H    SER  58           H        SER  58  13.901   6.746   2.896
  383    HA   SER  58           HA       SER  58  13.820   6.297   5.799
  384    HB2  SER  58           HB3      SER  58  15.901   7.615   5.885
  385    HG   SER  58           HG       SER  58  16.301   8.870   4.262
  386    H    GLY  59           H        GLY  59  13.047   8.555   3.287
  387    HA2  GLY  59           HA2      GLY  59  12.941  10.969   4.626
  388    HA3  GLY  59           HA3      GLY  59  11.837  10.508   3.336
  389    H    SER  60           H        SER  60  10.529   8.373   4.629
  390    HA   SER  60           HA       SER  60   8.526   9.747   6.033
  391    HB2  SER  60           HB3      SER  60   8.077   7.652   4.858
  392    HG   SER  60           HG       SER  60   6.679   8.080   6.563
  393    H    CYS  61           H        CYS  61   7.971   9.818   8.203
  394    HA   CYS  61           HA       CYS  61   9.872   8.739  10.144
  395    HB2  CYS  61           HB3      CYS  61  10.643  11.022   9.705
  396    HG   CYS  61           HG       CYS  61  11.429  10.583  12.188
  397    H    LYS  62           H        LYS  62   6.991  10.845   9.987
  398    HA   LYS  62           HA       LYS  62   5.275   8.977  11.209
  399    HB2  LYS  62           HB3      LYS  62   6.566   9.366  13.214
  400    HG2  LYS  62           HG3      LYS  62   4.926  10.199  14.758
  401    HD2  LYS  62           HD3      LYS  62   3.617   8.785  12.438
  402    HE2  LYS  62           HE3      LYS  62   2.813   8.905  15.340
  403    HZ1  LYS  62           HZ1      LYS  62   2.291   6.792  14.284
  404    HZ2  LYS  62           HZ2      LYS  62   1.498   7.593  13.023
  405    HZ3  LYS  62           HZ3      LYS  62   0.880   7.671  14.595
  406    H    SER  63           H        SER  63   6.020  12.396  10.726
  407    HA   SER  63           HA       SER  63   3.365  12.794   9.608
  408    HB2  SER  63           HB3      SER  63   2.934  14.802  10.983
  409    HG   SER  63           HG       SER  63   4.485  14.429  13.042
  410    H    CYS  64           H        CYS  64   3.772  13.646   7.678
  411    HA   CYS  64           HA       CYS  64   6.163  15.235   7.242
  412    HB2  CYS  64           HB3      CYS  64   4.021  14.328   5.305
  413    HG   CYS  64           HG       CYS  64   5.854  12.303   6.657
  414    HA   PRO  65           HA       PRO  65   4.140  19.153   7.561
  415    HB2  PRO  65           HB3      PRO  65   5.798  20.653   6.020
  416    HG2  PRO  65           HG3      PRO  65   6.990  18.961   4.971
  417    HD2  PRO  65           HD3      PRO  65   6.952  16.791   5.737
  418    H    GLU  66           H        GLU  66   5.269  18.363   4.270
  419    HA   GLU  66           HA       GLU  66   2.915  19.713   3.167
  420    HB2  GLU  66           HB3      GLU  66   5.078  20.339   2.214
  421    HG2  GLU  66           HG3      GLU  66   4.712  19.872  -0.154
  422    H    GLY  67           H        GLY  67   4.644  16.617   2.987
  423    HA2  GLY  67           HA2      GLY  67   3.855  14.488   2.625
  424    HA3  GLY  67           HA3      GLY  67   2.230  15.118   2.841
  425    H    LYS  68           H        LYS  68   4.849  14.728   0.507
  426    HA   LYS  68           HA       LYS  68   3.247  15.481  -1.746
  427    HB2  LYS  68           HB3      LYS  68   5.673  15.744  -1.797
  428    HG2  LYS  68           HG3      LYS  68   4.766  13.652  -3.761
  429    HD2  LYS  68           HD3      LYS  68   7.101  15.558  -3.871
  430    HE2  LYS  68           HE3      LYS  68   6.128  13.505  -5.853
  431    HZ1  LYS  68           HZ1      LYS  68   8.539  13.645  -5.784
  432    HZ2  LYS  68           HZ2      LYS  68   8.472  15.324  -5.984
  433    HZ3  LYS  68           HZ3      LYS  68   7.943  14.302  -7.224
  434    H    ALA  69           H        ALA  69   1.743  14.281  -2.694
  435    HA   ALA  69           HA       ALA  69   0.501  12.499  -3.377
  436    HB1  ALA  69           HB1      ALA  69   3.120  11.013  -3.213
  437    HB2  ALA  69           HB2      ALA  69   1.681  10.498  -4.094
  438    HB3  ALA  69           HB3      ALA  69   2.557  11.945  -4.600
  439    H    ALA  70           H        ALA  70   0.387   9.867  -2.775
  440    HA   ALA  70           HA       ALA  70   0.458   9.666   0.150
  441    HB1  ALA  70           HB1      ALA  70  -1.976   9.040  -1.518
  442    HB2  ALA  70           HB2      ALA  70  -1.812   8.779   0.219
  443    HB3  ALA  70           HB3      ALA  70  -1.790  10.418  -0.433
  444    H    CYS  71           H        CYS  71   0.978   7.690   0.915
  445    HA   CYS  71           HA       CYS  71   0.683   5.308  -0.675
  446    HB2  CYS  71           HB3      CYS  71   2.759   6.220  -1.615
  447    HG   CYS  71           HG       CYS  71   2.391   3.282  -1.058
  448    H    ARG  72           H        ARG  72  -0.389   4.300   0.946
  449    HA   ARG  72           HA       ARG  72   1.171   3.585   3.307
  450    HB2  ARG  72           HB3      ARG  72  -0.568   4.149   4.863
  451    HG2  ARG  72           HG3      ARG  72  -2.189   5.182   2.546
  452    HD2  ARG  72           HD3      ARG  72  -3.944   5.437   4.272
  453    HE   ARG  72           HE       ARG  72  -1.707   7.142   4.057
  454   HH11  ARG  72          HH12      ARG  72  -4.469   6.516   6.084
  455   HH12  ARG  72          HH11      ARG  72  -4.593   8.151   6.640
  456   HH21  ARG  72          HH21      ARG  72  -1.862   9.296   4.782
  457   HH22  ARG  72          HH22      ARG  72  -3.109   9.731   5.902
  458    H    GLN  73           H        GLN  73   0.274   1.739   4.465
  459    HA   GLN  73           HA       GLN  73  -1.652   0.159   2.914
  460    HB2  GLN  73           HB3      GLN  73  -0.200  -1.872   3.442
  461    HG2  GLN  73           HG3      GLN  73   2.240  -1.378   3.518
  462   HE21  GLN  73          HE22      GLN  73   2.831   0.192   5.913
  463   HE22  GLN  73          HE21      GLN  73   2.177  -0.701   7.239
  464    H    GLU  74           H        GLU  74  -3.062  -1.040   4.104
  465    HA   GLU  74           HA       GLU  74  -2.996  -0.593   6.990
  466    HB2  GLU  74           HB3      GLU  74  -5.260  -2.078   5.794
  467    HG2  GLU  74           HG3      GLU  74  -4.949  -0.478   4.026
  468    H    TRP  75           H        TRP  75  -4.050  -2.516   8.253
  469    HA   TRP  75           HA       TRP  75  -2.748  -5.010   7.402
  470    HB2  TRP  75           HB3      TRP  75  -1.435  -4.004   9.200
  471    HD1  TRP  75           HD1      TRP  75  -4.115  -6.483  10.550
  472    HE1  TRP  75           HE1      TRP  75  -2.888  -8.598  11.354
  473    HE3  TRP  75           HE3      TRP  75   0.675  -5.133   9.389
  474    HZ2  TRP  75           HZ2      TRP  75  -0.239  -9.565  11.480
  475    HZ3  TRP  75           HZ3      TRP  75   2.500  -6.709   9.884
  476    HH2  TRP  75           HH2      TRP  75   2.050  -8.879  10.910
  477    H    TRP  76           H        TRP  76  -4.203  -6.567   7.089
  478    HA   TRP  76           HA       TRP  76  -6.811  -6.333   8.403
  479    HB2  TRP  76           HB3      TRP  76  -6.670  -6.578   5.910
  480    HD1  TRP  76           HD1      TRP  76  -9.263  -6.235   6.238
  481    HE1  TRP  76           HE1      TRP  76 -11.225  -7.872   6.538
  482    HE3  TRP  76           HE3      TRP  76  -6.620 -10.490   7.245
  483    HZ2  TRP  76           HZ2      TRP  76 -11.602 -10.608   7.127
  484    HZ3  TRP  76           HZ3      TRP  76  -7.855 -12.574   7.665
  485    HH2  TRP  76           HH2      TRP  76 -10.294 -12.632   7.608
  486    H    ALA  77           H        ALA  77  -7.660  -7.892   9.704
  487    HA   ALA  77           HA       ALA  77  -6.526 -10.478  10.034
  488    HB1  ALA  77           HB1      ALA  77  -5.665 -10.219  12.309
  489    HB2  ALA  77           HB2      ALA  77  -4.776  -9.213  11.167
  490    HB3  ALA  77           HB3      ALA  77  -5.978  -8.484  12.231
  491    H    LEU  78           H        LEU  78  -7.527 -11.619  11.958
  492    HA   LEU  78           HA       LEU  78 -10.295 -10.686  12.241
  493    HB2  LEU  78           HB3      LEU  78  -9.134 -13.445  12.611
  494    HG   LEU  78           HG       LEU  78 -10.866 -12.335  10.405
  495   HD11  LEU  78          HD11      LEU  78  -9.002 -13.449   9.052
  496   HD12  LEU  78          HD12      LEU  78  -8.633 -11.928   9.865
  497   HD13  LEU  78          HD13      LEU  78  -8.090 -13.455  10.561
  498   HD21  LEU  78          HD21      LEU  78 -11.766 -14.472  11.102
  499   HD22  LEU  78          HD22      LEU  78 -10.925 -14.653   9.561
  500   HD23  LEU  78          HD23      LEU  78 -10.157 -15.194  11.055
  501    H    ARG  79           H        ARG  79 -11.388 -11.130  14.296
  502    HA   ARG  79           HA       ARG  79  -9.914 -10.085  16.477
  503    HB2  ARG  79           HB3      ARG  79 -12.632 -11.408  16.429
  504    HG2  ARG  79           HG3      ARG  79 -11.905  -8.487  16.397
  505    HD2  ARG  79           HD3      ARG  79 -13.922  -8.958  17.703
  506    HE   ARG  79           HE       ARG  79 -14.508 -10.954  15.965
  507   HH11  ARG  79          HH12      ARG  79 -16.154  -8.041  16.929
  508   HH12  ARG  79          HH11      ARG  79 -17.738  -8.703  16.695
  509   HH21  ARG  79          HH21      ARG  79 -16.589 -11.837  15.651
  510   HH22  ARG  79          HH22      ARG  79 -17.985 -10.860  15.963
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  -7.731  -6.136 -14.455
    2    H2   MET   1           H2       MET   1  -6.133  -5.968 -13.922
    3    H3   MET   1           H3       MET   1  -6.866  -4.723 -14.801
    4    HA   MET   1           HA       MET   1  -6.744  -4.194 -12.448
    5    HB2  MET   1           HB3      MET   1  -9.550  -4.703 -13.457
    6    HG2  MET   1           HG3      MET   1  -7.826  -2.251 -13.717
    7    HE1  MET   1           HE1      MET   1 -11.300  -0.726 -12.735
    8    HE2  MET   1           HE2      MET   1 -10.525  -2.146 -12.033
    9    HE3  MET   1           HE3      MET   1  -9.566  -0.716 -12.417
   10    H    ALA   2           H        ALA   2  -8.291  -4.529 -10.434
   11    HA   ALA   2           HA       ALA   2  -9.060  -7.239  -9.901
   12    HB1  ALA   2           HB1      ALA   2  -6.627  -7.447  -9.694
   13    HB2  ALA   2           HB2      ALA   2  -6.625  -6.171  -8.477
   14    HB3  ALA   2           HB3      ALA   2  -7.437  -7.702  -8.148
   15    H    SER   3           H        SER   3  -9.545  -7.474  -7.451
   16    HA   SER   3           HA       SER   3 -10.342  -4.939  -6.238
   17    HB2  SER   3           HB3      SER   3 -12.275  -7.221  -6.723
   18    HG   SER   3           HG       SER   3 -11.885  -4.720  -7.932
   19    H    LEU   4           H        LEU   4 -11.606  -5.656  -4.046
   20    HA   LEU   4           HA       LEU   4  -9.598  -6.834  -2.445
   21    HB2  LEU   4           HB3      LEU   4 -11.204  -6.640  -0.608
   22    HG   LEU   4           HG       LEU   4 -13.190  -5.986  -2.770
   23   HD11  LEU   4          HD11      LEU   4 -13.081  -7.864  -0.436
   24   HD12  LEU   4          HD12      LEU   4 -14.612  -7.396  -1.176
   25   HD13  LEU   4          HD13      LEU   4 -13.388  -8.223  -2.136
   26   HD21  LEU   4          HD21      LEU   4 -14.641  -5.063  -1.022
   27   HD22  LEU   4          HD22      LEU   4 -13.318  -5.192   0.136
   28   HD23  LEU   4          HD23      LEU   4 -13.181  -4.099  -1.241
   29    H    MET   5           H        MET   5 -12.095  -8.212  -4.319
   30    HA   MET   5           HA       MET   5 -12.838 -10.462  -2.903
   31    HB2  MET   5           HB3      MET   5 -13.874  -9.901  -5.014
   32    HG2  MET   5           HG3      MET   5 -12.421 -12.525  -5.265
   33    HE1  MET   5           HE1      MET   5 -14.942 -14.289  -6.011
   34    HE2  MET   5           HE2      MET   5 -14.795 -14.300  -7.769
   35    HE3  MET   5           HE3      MET   5 -13.353 -14.431  -6.762
   36    H    GLU   6           H        GLU   6  -9.896  -9.855  -4.740
   37    HA   GLU   6           HA       GLU   6  -8.873 -12.476  -4.716
   38    HB2  GLU   6           HB3      GLU   6  -7.388  -9.844  -4.748
   39    HG2  GLU   6           HG3      GLU   6  -8.837  -9.976  -6.659
   40    H    VAL   7           H        VAL   7  -7.858  -9.721  -2.686
   41    HA   VAL   7           HA       VAL   7  -6.384 -11.242  -0.855
   42    HB   VAL   7           HB       VAL   7  -6.143  -8.814  -1.013
   43   HG11  VAL   7          HG11      VAL   7  -7.834  -7.321  -0.052
   44   HG12  VAL   7          HG12      VAL   7  -8.469  -8.228  -1.424
   45   HG13  VAL   7          HG13      VAL   7  -8.895  -8.704   0.220
   46   HG21  VAL   7          HG21      VAL   7  -7.068  -9.722   1.713
   47   HG22  VAL   7          HG22      VAL   7  -5.446  -9.909   1.047
   48   HG23  VAL   7          HG23      VAL   7  -6.079  -8.298   1.385
   49    H    ARG   8           H        ARG   8  -9.779 -10.570  -1.119
   50    HA   ARG   8           HA       ARG   8 -10.664 -11.119   1.459
   51    HB2  ARG   8           HB3      ARG   8 -12.185 -10.218  -0.154
   52    HG2  ARG   8           HG3      ARG   8 -13.007 -13.035   0.514
   53    HD2  ARG   8           HD3      ARG   8 -14.683 -10.721  -0.450
   54    HE   ARG   8           HE       ARG   8 -15.480 -12.983   1.008
   55   HH11  ARG   8          HH12      ARG   8 -16.326 -11.215  -1.870
   56   HH12  ARG   8          HH11      ARG   8 -18.000 -11.658  -1.807
   57   HH21  ARG   8          HH21      ARG   8 -17.684 -13.574   1.100
   58   HH22  ARG   8          HH22      ARG   8 -18.772 -12.995  -0.117
   59    H    ASP   9           H        ASP   9 -10.470 -13.381  -1.297
   60    HA   ASP   9           HA       ASP   9 -11.119 -15.678   0.192
   61    HB2  ASP   9           HB3      ASP   9  -9.559 -15.423  -2.389
   62    H    MET  10           H        MET  10  -7.977 -14.334  -0.790
   63    HA   MET  10           HA       MET  10  -6.301 -16.301   0.175
   64    HB2  MET  10           HB3      MET  10  -5.859 -13.309   0.240
   65    HG2  MET  10           HG3      MET  10  -5.076 -15.347  -1.832
   66    HE1  MET  10           HE1      MET  10  -3.895 -14.576  -4.053
   67    HE2  MET  10           HE2      MET  10  -5.123 -13.331  -4.288
   68    HE3  MET  10           HE3      MET  10  -3.412 -12.913  -4.388
   69    H    LEU  11           H        LEU  11  -7.286 -13.364   1.950
   70    HA   LEU  11           HA       LEU  11  -6.196 -14.150   4.416
   71    HB2  LEU  11           HB3      LEU  11  -8.266 -12.159   3.580
   72    HG   LEU  11           HG       LEU  11  -6.770 -10.497   4.365
   73   HD11  LEU  11          HD11      LEU  11  -6.121 -11.588   6.449
   74   HD12  LEU  11          HD12      LEU  11  -5.115 -12.721   5.549
   75   HD13  LEU  11          HD13      LEU  11  -4.710 -11.005   5.566
   76   HD21  LEU  11          HD21      LEU  11  -4.717 -10.952   3.101
   77   HD22  LEU  11          HD22      LEU  11  -5.168 -12.653   2.994
   78   HD23  LEU  11          HD23      LEU  11  -6.157 -11.428   2.203
   79    H    ALA  12           H        ALA  12  -9.365 -14.675   2.970
   80    HA   ALA  12           HA       ALA  12 -10.712 -15.651   5.214
   81    HB1  ALA  12           HB1      ALA  12 -12.247 -16.706   3.642
   82    HB2  ALA  12           HB2      ALA  12 -11.837 -15.072   3.120
   83    HB3  ALA  12           HB3      ALA  12 -11.089 -16.463   2.334
   84    H    LEU  13           H        LEU  13  -8.290 -17.091   3.212
   85    HA   LEU  13           HA       LEU  13  -8.740 -19.716   4.448
   86    HB2  LEU  13           HB3      LEU  13  -7.068 -18.920   2.064
   87    HG   LEU  13           HG       LEU  13  -9.614 -19.024   1.760
   88   HD11  LEU  13          HD11      LEU  13  -9.392 -20.214  -0.378
   89   HD12  LEU  13          HD12      LEU  13  -8.073 -19.074  -0.104
   90   HD13  LEU  13          HD13      LEU  13  -7.807 -20.802   0.128
   91   HD21  LEU  13          HD21      LEU  13 -10.548 -21.267   1.507
   92   HD22  LEU  13          HD22      LEU  13  -9.030 -21.967   2.072
   93   HD23  LEU  13          HD23      LEU  13 -10.008 -20.983   3.161
   94    H    GLN  14           H        GLN  14  -6.501 -17.062   4.239
   95    HA   GLN  14           HA       GLN  14  -4.344 -18.504   5.513
   96    HB2  GLN  14           HB3      GLN  14  -4.693 -15.602   4.754
   97    HG2  GLN  14           HG3      GLN  14  -4.302 -17.180   2.894
   98   HE21  GLN  14          HE22      GLN  14  -2.950 -18.600   1.798
   99   HE22  GLN  14          HE21      GLN  14  -1.733 -19.521   2.609
  100    H    GLY  15           H        GLY  15  -5.845 -15.405   6.439
  101    HA2  GLY  15           HA2      GLY  15  -7.107 -15.595   8.665
  102    HA3  GLY  15           HA3      GLY  15  -5.587 -16.250   9.252
  103    H    ARG  16           H        ARG  16  -4.003 -14.883   9.891
  104    HA   ARG  16           HA       ARG  16  -4.645 -12.028   9.831
  105    HB2  ARG  16           HB3      ARG  16  -2.656 -13.600  11.475
  106    HG2  ARG  16           HG3      ARG  16  -4.025 -12.762  13.386
  107    HD2  ARG  16           HD3      ARG  16  -5.710 -14.445  13.234
  108    HE   ARG  16           HE       ARG  16  -3.128 -15.115  12.736
  109   HH11  ARG  16          HH12      ARG  16  -6.199 -16.372  11.677
  110   HH12  ARG  16          HH11      ARG  16  -5.627 -18.000  11.528
  111   HH21  ARG  16          HH21      ARG  16  -2.367 -17.256  12.544
  112   HH22  ARG  16          HH22      ARG  16  -3.449 -18.502  12.022
  113    H    MET  17           H        MET  17  -3.855 -11.003   8.104
  114    HA   MET  17           HA       MET  17  -1.010 -11.010   7.645
  115    HB2  MET  17           HB3      MET  17  -2.926 -12.171   5.638
  116    HG2  MET  17           HG3      MET  17  -0.226 -13.053   6.633
  117    HE1  MET  17           HE1      MET  17   0.117 -16.383   4.674
  118    HE2  MET  17           HE2      MET  17   0.864 -15.274   5.825
  119    HE3  MET  17           HE3      MET  17  -0.610 -16.140   6.263
  120    H    GLU  18           H        GLU  18  -0.486  -9.520   5.718
  121    HA   GLU  18           HA       GLU  18  -2.394  -7.274   5.728
  122    HB2  GLU  18           HB3      GLU  18  -0.484  -5.755   5.597
  123    HG2  GLU  18           HG3      GLU  18   1.200  -8.241   5.789
  124    H    ALA  19           H        ALA  19  -2.626  -6.074   3.822
  125    HA   ALA  19           HA       ALA  19  -2.317  -7.589   1.417
  126    HB1  ALA  19           HB1      ALA  19  -3.261  -4.756   1.840
  127    HB2  ALA  19           HB2      ALA  19  -3.374  -5.654   0.326
  128    HB3  ALA  19           HB3      ALA  19  -4.273  -6.197   1.742
  129    H    LYS  20           H        LYS  20  -0.396  -5.268   3.060
  130    HA   LYS  20           HA       LYS  20   0.955  -3.904   1.120
  131    HB2  LYS  20           HB3      LYS  20   1.375  -3.593   3.501
  132    HG2  LYS  20           HG3      LYS  20   3.888  -4.434   2.069
  133    HD2  LYS  20           HD3      LYS  20   3.476  -2.681   4.489
  134    HE2  LYS  20           HE3      LYS  20   5.196  -1.760   3.041
  135    HZ1  LYS  20           HZ1      LYS  20   7.165  -3.060   2.524
  136    HZ2  LYS  20           HZ2      LYS  20   5.792  -3.753   1.822
  137    HZ3  LYS  20           HZ3      LYS  20   6.467  -4.437   3.213
  138    H    GLN  21           H        GLN  21   2.092  -7.015   2.461
  139    HA   GLN  21           HA       GLN  21   4.066  -7.425   0.504
  140    HB2  GLN  21           HB3      GLN  21   2.612  -9.479   2.184
  141    HG2  GLN  21           HG3      GLN  21   5.228  -8.080   2.699
  142   HE21  GLN  21          HE22      GLN  21   6.391  -9.963   3.027
  143   HE22  GLN  21          HE21      GLN  21   6.091 -11.015   4.363
  144    H    LEU  22           H        LEU  22   0.770  -8.709   0.797
  145    HA   LEU  22           HA       LEU  22   0.692 -10.365  -1.401
  146    HB2  LEU  22           HB3      LEU  22  -1.516  -8.565  -0.399
  147    HG   LEU  22           HG       LEU  22  -0.728 -10.042   1.395
  148   HD11  LEU  22          HD11      LEU  22  -2.858 -11.179   1.847
  149   HD12  LEU  22          HD12      LEU  22  -3.089  -9.521   1.291
  150   HD13  LEU  22          HD13      LEU  22  -3.362 -10.868   0.185
  151   HD21  LEU  22          HD21      LEU  22   0.276 -11.789   0.032
  152   HD22  LEU  22          HD22      LEU  22  -0.907 -12.472   1.146
  153   HD23  LEU  22          HD23      LEU  22  -1.318 -12.266  -0.556
  154    H    SER  23           H        SER  23   0.274  -6.858  -1.280
  155    HA   SER  23           HA       SER  23  -0.452  -6.556  -4.008
  156    HB2  SER  23           HB3      SER  23  -0.958  -4.832  -2.339
  157    HG   SER  23           HG       SER  23   0.746  -3.305  -3.777
  158    H    ALA  24           H        ALA  24   2.627  -6.251  -2.271
  159    HA   ALA  24           HA       ALA  24   4.163  -5.482  -4.518
  160    HB1  ALA  24           HB1      ALA  24   6.099  -5.976  -3.145
  161    HB2  ALA  24           HB2      ALA  24   4.882  -5.128  -2.192
  162    HB3  ALA  24           HB3      ALA  24   5.092  -6.869  -2.005
  163    H    ARG  25           H        ARG  25   3.430  -8.625  -3.077
  164    HA   ARG  25           HA       ARG  25   5.178 -10.231  -4.511
  165    HB2  ARG  25           HB3      ARG  25   3.792 -11.039  -2.649
  166    HG2  ARG  25           HG3      ARG  25   3.047 -13.187  -3.549
  167    HD2  ARG  25           HD3      ARG  25   5.169 -13.917  -4.520
  168    HE   ARG  25           HE       ARG  25   5.058 -12.489  -2.078
  169   HH11  ARG  25          HH12      ARG  25   7.310 -13.868  -4.349
  170   HH12  ARG  25          HH11      ARG  25   8.545 -14.131  -3.164
  171   HH21  ARG  25          HH21      ARG  25   6.678 -12.830  -0.508
  172   HH22  ARG  25          HH22      ARG  25   8.185 -13.542  -0.978
  173    H    LEU  26           H        LEU  26   2.015  -8.968  -5.434
  174    HA   LEU  26           HA       LEU  26   2.321 -10.181  -8.090
  175    HB2  LEU  26           HB3      LEU  26  -0.080  -9.038  -6.674
  176    HG   LEU  26           HG       LEU  26  -1.084 -11.240  -6.974
  177   HD11  LEU  26          HD11      LEU  26   1.595 -12.043  -8.097
  178   HD12  LEU  26          HD12      LEU  26   0.257 -13.136  -7.734
  179   HD13  LEU  26          HD13      LEU  26   0.082 -11.916  -8.996
  180   HD21  LEU  26          HD21      LEU  26   0.204 -10.720  -4.918
  181   HD22  LEU  26          HD22      LEU  26   0.167 -12.438  -5.310
  182   HD23  LEU  26          HD23      LEU  26   1.612 -11.488  -5.650
  183    H    GLN  27           H        GLN  27   2.921  -7.287  -6.547
  184    HA   GLN  27           HA       GLN  27   3.466  -5.215  -7.300
  185    HB2  GLN  27           HB3      GLN  27   3.161  -6.427 -10.055
  186    HG2  GLN  27           HG3      GLN  27   5.669  -6.061  -8.436
  187   HE21  GLN  27          HE22      GLN  27   7.546  -6.730  -9.448
  188   HE22  GLN  27          HE21      GLN  27   7.654  -6.936 -11.160
  189    H    THR  28           H        THR  28   1.856  -3.887  -6.718
  190    HA   THR  28           HA       THR  28  -0.070  -3.078  -8.689
  191    HB   THR  28           HB       THR  28  -1.088  -4.347  -6.137
  192    HG1  THR  28           HG1      THR  28  -1.738  -5.174  -8.761
  193   HG21  THR  28          HG21      THR  28  -2.667  -3.188  -8.434
  194   HG22  THR  28          HG22      THR  28  -2.354  -2.335  -6.922
  195   HG23  THR  28          HG23      THR  28  -3.295  -3.825  -6.914
  196    HA   PRO  29           HA       PRO  29   0.570   0.904  -6.878
  197    HB2  PRO  29           HB3      PRO  29  -2.423   0.985  -7.053
  198    HG2  PRO  29           HG3      PRO  29  -2.372   0.692  -9.363
  199    HD2  PRO  29           HD3      PRO  29  -1.851  -1.469  -8.839
  200    H    GLN  30           H        GLN  30   1.115   0.937  -4.799
  201    HA   GLN  30           HA       GLN  30  -0.237  -0.413  -2.737
  202    HB2  GLN  30           HB3      GLN  30   2.184   0.329  -2.762
  203    HG2  GLN  30           HG3      GLN  30   2.327   0.813  -0.368
  204   HE21  GLN  30          HE22      GLN  30   3.152  -1.254  -0.581
  205   HE22  GLN  30          HE21      GLN  30   2.186  -2.666  -0.348
  206    HA   PRO  31           HA       PRO  31  -1.765   4.228  -1.656
  207    HB2  PRO  31           HB3      PRO  31  -2.483   4.734  -4.513
  208    HG2  PRO  31           HG3      PRO  31  -0.272   5.148  -5.128
  209    HD2  PRO  31           HD3      PRO  31  -0.185   2.856  -4.981
  210    H    LEU  32           H        LEU  32  -2.991   2.138  -4.236
  211    HA   LEU  32           HA       LEU  32  -5.744   2.593  -3.562
  212    HB2  LEU  32           HB3      LEU  32  -4.830   1.944  -5.843
  213    HG   LEU  32           HG       LEU  32  -6.692   0.580  -6.534
  214   HD11  LEU  32          HD11      LEU  32  -6.393  -0.913  -4.406
  215   HD12  LEU  32          HD12      LEU  32  -7.604   0.173  -3.730
  216   HD13  LEU  32          HD13      LEU  32  -7.970  -0.757  -5.181
  217   HD21  LEU  32          HD21      LEU  32  -8.542   1.898  -5.683
  218   HD22  LEU  32          HD22      LEU  32  -7.550   2.455  -4.335
  219   HD23  LEU  32          HD23      LEU  32  -7.142   2.928  -5.984
  220    H    ILE  33           H        ILE  33  -3.360   0.055  -2.953
  221    HA   ILE  33           HA       ILE  33  -4.896  -1.927  -1.850
  222    HB   ILE  33           HB       ILE  33  -2.212  -1.002  -0.817
  223   HG12  ILE  33          HG13      ILE  33  -2.125  -1.460  -3.203
  224   HG21  ILE  33          HG21      ILE  33  -1.962  -3.316  -0.035
  225   HG22  ILE  33          HG22      ILE  33  -3.319  -2.500   0.744
  226   HG23  ILE  33          HG23      ILE  33  -3.614  -3.659  -0.550
  227   HD11  ILE  33          HD11      ILE  33  -2.677  -3.627  -4.138
  228   HD12  ILE  33          HD12      ILE  33  -3.294  -4.159  -2.573
  229   HD13  ILE  33          HD13      ILE  33  -4.106  -2.860  -3.447
  230    H    ASP  34           H        ASP  34  -3.651   0.967  -0.198
  231    HA   ASP  34           HA       ASP  34  -4.512   0.411   2.372
  232    HB2  ASP  34           HB3      ASP  34  -3.115   2.338   1.903
  233    H    ALA  35           H        ALA  35  -6.293   1.758  -0.348
  234    HA   ALA  35           HA       ALA  35  -8.702   2.204   1.141
  235    HB1  ALA  35           HB1      ALA  35  -8.273   2.080  -1.843
  236    HB2  ALA  35           HB2      ALA  35  -9.701   2.713  -1.022
  237    HB3  ALA  35           HB3      ALA  35  -8.149   3.530  -0.846
  238    H    MET  36           H        MET  36  -7.289  -0.431  -0.607
  239    HA   MET  36           HA       MET  36  -9.590  -1.932  -1.190
  240    HB2  MET  36           HB3      MET  36  -7.233  -2.347  -2.027
  241    HG2  MET  36           HG3      MET  36  -7.364  -4.837  -1.940
  242    HE1  MET  36           HE1      MET  36  -8.627  -3.194  -5.249
  243    HE2  MET  36           HE2      MET  36  -7.646  -2.508  -3.953
  244    HE3  MET  36           HE3      MET  36  -7.344  -4.153  -4.509
  245    H    LEU  37           H        LEU  37  -7.321  -2.238   1.530
  246    HA   LEU  37           HA       LEU  37  -8.921  -4.084   2.964
  247    HB2  LEU  37           HB3      LEU  37  -6.700  -2.260   3.884
  248    HG   LEU  37           HG       LEU  37  -5.834  -3.871   2.305
  249   HD11  LEU  37          HD11      LEU  37  -4.393  -3.437   4.149
  250   HD12  LEU  37          HD12      LEU  37  -5.275  -4.563   5.180
  251   HD13  LEU  37          HD13      LEU  37  -4.333  -5.169   3.821
  252   HD21  LEU  37          HD21      LEU  37  -7.586  -5.504   2.293
  253   HD22  LEU  37          HD22      LEU  37  -6.085  -6.306   2.759
  254   HD23  LEU  37          HD23      LEU  37  -7.287  -5.906   3.984
  255    H    GLU  38           H        GLU  38  -8.370  -0.591   3.321
  256    HA   GLU  38           HA       GLU  38  -9.946  -0.088   5.527
  257    HB2  GLU  38           HB3      GLU  38  -8.560   1.629   4.511
  258    HG2  GLU  38           HG3      GLU  38 -10.055   3.539   4.453
  259    H    ARG  39           H        ARG  39 -10.910  -0.460   2.153
  260    HA   ARG  39           HA       ARG  39 -13.636   0.221   2.525
  261    HB2  ARG  39           HB3      ARG  39 -12.694   0.287   0.309
  262    HG2  ARG  39           HG3      ARG  39 -14.614  -2.029   0.451
  263    HD2  ARG  39           HD3      ARG  39 -14.042  -0.145  -1.831
  264    HE   ARG  39           HE       ARG  39 -16.196  -1.861  -1.444
  265   HH11  ARG  39          HH12      ARG  39 -13.736  -1.259  -3.833
  266   HH12  ARG  39          HH11      ARG  39 -14.710  -1.794  -5.162
  267   HH21  ARG  39          HH21      ARG  39 -17.488  -2.571  -3.184
  268   HH22  ARG  39          HH22      ARG  39 -16.845  -2.540  -4.792
  269    H    MET  40           H        MET  40 -11.881  -2.853   2.513
  270    HA   MET  40           HA       MET  40 -13.997  -4.624   2.689
  271    HB2  MET  40           HB3      MET  40 -11.588  -5.237   2.453
  272    HG2  MET  40           HG3      MET  40 -11.591  -7.242   3.849
  273    HE1  MET  40           HE1      MET  40 -12.805  -9.483   3.308
  274    HE2  MET  40           HE2      MET  40 -14.237  -8.968   4.199
  275    HE3  MET  40           HE3      MET  40 -14.398  -9.603   2.562
  276    H    GLU  41           H        GLU  41 -12.349  -2.874   5.293
  277    HA   GLU  41           HA       GLU  41 -14.113  -3.952   7.312
  278    HB2  GLU  41           HB3      GLU  41 -11.794  -3.488   7.891
  279    HG2  GLU  41           HG3      GLU  41 -13.636  -1.538   9.257
  280    H    ALA  42           H        ALA  42 -14.006  -1.191   5.238
  281    HA   ALA  42           HA       ALA  42 -15.410   0.724   6.634
  282    HB1  ALA  42           HB1      ALA  42 -14.446   1.068   4.400
  283    HB2  ALA  42           HB2      ALA  42 -15.723   0.070   3.705
  284    HB3  ALA  42           HB3      ALA  42 -16.127   1.600   4.485
  285    H    MET  43           H        MET  43 -16.542  -2.280   5.313
  286    HA   MET  43           HA       MET  43 -19.339  -1.563   5.659
  287    HB2  MET  43           HB3      MET  43 -18.002  -4.106   4.726
  288    HG2  MET  43           HG3      MET  43 -19.647  -2.061   3.251
  289    HE1  MET  43           HE1      MET  43 -19.460  -3.662  -0.309
  290    HE2  MET  43           HE2      MET  43 -20.063  -2.310   0.648
  291    HE3  MET  43           HE3      MET  43 -18.328  -2.529   0.428
  292    H    GLY  44           H        GLY  44 -16.805  -3.192   7.355
  293    HA2  GLY  44           HA2      GLY  44 -16.979  -3.485   9.731
  294    HA3  GLY  44           HA3      GLY  44 -18.705  -3.766   9.530
  295    H    LYS  45           H        LYS  45 -15.580  -5.149   8.495
  296    HA   LYS  45           HA       LYS  45 -16.810  -7.811   8.658
  297    HB2  LYS  45           HB3      LYS  45 -14.290  -6.879   7.277
  298    HG2  LYS  45           HG3      LYS  45 -16.305  -6.300   6.053
  299    HD2  LYS  45           HD3      LYS  45 -16.915  -9.252   6.147
  300    HE2  LYS  45           HE3      LYS  45 -18.392  -6.967   4.845
  301    HZ1  LYS  45           HZ1      LYS  45 -19.010  -9.872   4.898
  302    HZ2  LYS  45           HZ2      LYS  45 -19.852  -8.700   4.014
  303    HZ3  LYS  45           HZ3      LYS  45 -19.879  -8.666   5.705
  304    H    VAL  46           H        VAL  46 -13.366  -7.077   8.939
  305    HA   VAL  46           HA       VAL  46 -13.428  -8.158  11.675
  306    HB   VAL  46           HB       VAL  46 -11.329  -9.251  11.290
  307   HG11  VAL  46          HG11      VAL  46 -13.267  -9.734   9.034
  308   HG12  VAL  46          HG12      VAL  46 -11.936 -10.812   9.451
  309   HG13  VAL  46          HG13      VAL  46 -13.237 -10.530  10.607
  310   HG21  VAL  46          HG21      VAL  46 -10.328  -9.214   8.953
  311   HG22  VAL  46          HG22      VAL  46 -11.348  -7.806   8.652
  312   HG23  VAL  46          HG23      VAL  46 -10.124  -7.753   9.920
  313    H    VAL  47           H        VAL  47 -10.478  -7.630  11.889
  314    HA   VAL  47           HA       VAL  47 -10.695  -4.744  12.369
  315    HB   VAL  47           HB       VAL  47  -8.723  -5.070  13.874
  316   HG11  VAL  47          HG11      VAL  47 -11.227  -6.640  14.462
  317   HG12  VAL  47          HG12      VAL  47 -10.012  -6.213  15.668
  318   HG13  VAL  47          HG13      VAL  47 -10.914  -4.946  14.838
  319   HG21  VAL  47          HG21      VAL  47  -7.829  -7.100  12.869
  320   HG22  VAL  47          HG22      VAL  47  -8.165  -7.350  14.583
  321   HG23  VAL  47          HG23      VAL  47  -9.267  -7.995  13.366
  322    H    ARG  48           H        ARG  48  -9.592  -3.382  11.158
  323    HA   ARG  48           HA       ARG  48  -7.361  -4.411   9.539
  324    HB2  ARG  48           HB3      ARG  48  -9.177  -3.680   8.141
  325    HG2  ARG  48           HG3      ARG  48  -6.723  -2.793   7.693
  326    HD2  ARG  48           HD3      ARG  48  -6.852  -0.741   8.913
  327    HE   ARG  48           HE       ARG  48  -9.487  -0.462   7.788
  328   HH11  ARG  48          HH12      ARG  48  -6.796   1.201   9.245
  329   HH12  ARG  48          HH11      ARG  48  -7.758   2.526   9.816
  330   HH21  ARG  48          HH21      ARG  48 -10.761   1.272   8.533
  331   HH22  ARG  48          HH22      ARG  48 -10.015   2.565   9.412
  332    H    ILE  49           H        ILE  49  -5.414  -3.390   9.583
  333    HA   ILE  49           HA       ILE  49  -5.181  -1.049  11.361
  334    HB   ILE  49           HB       ILE  49  -3.128  -3.240  11.035
  335   HG12  ILE  49          HG13      ILE  49  -5.110  -4.037  12.248
  336   HG21  ILE  49          HG21      ILE  49  -2.131  -1.088  11.521
  337   HG22  ILE  49          HG22      ILE  49  -3.239  -0.853  12.874
  338   HG23  ILE  49          HG23      ILE  49  -2.026  -2.133  12.939
  339   HD11  ILE  49          HD11      ILE  49  -5.967  -1.903  13.089
  340   HD12  ILE  49          HD12      ILE  49  -5.774  -3.099  14.370
  341   HD13  ILE  49          HD13      ILE  49  -4.594  -1.799  14.190
  342    H    SER  50           H        SER  50  -4.709   0.672  10.163
  343    HA   SER  50           HA       SER  50  -3.457   0.482   7.597
  344    HB2  SER  50           HB3      SER  50  -3.594   2.942   7.585
  345    HG   SER  50           HG       SER  50  -4.231   2.542  10.302
  346    H    GLU  51           H        GLU  51  -1.354   0.162   7.312
  347    HA   GLU  51           HA       GLU  51   0.520   1.378   9.233
  348    HB2  GLU  51           HB3      GLU  51   0.544  -1.050   9.415
  349    HG2  GLU  51           HG3      GLU  51   2.984  -0.146   7.905
  350    H    THR  52           H        THR  52   2.377   2.349   8.451
  351    HA   THR  52           HA       THR  52   2.386   2.879   5.551
  352    HB   THR  52           HB       THR  52   1.937   4.889   6.877
  353    HG1  THR  52           HG1      THR  52   4.606   5.050   5.915
  354   HG21  THR  52          HG21      THR  52   4.632   4.363   8.136
  355   HG22  THR  52          HG22      THR  52   3.071   4.223   8.946
  356   HG23  THR  52          HG23      THR  52   3.637   5.797   8.388
  357    H    SER  53           H        SER  53   4.169   2.415   4.398
  358    HA   SER  53           HA       SER  53   6.747   2.111   5.687
  359    HB2  SER  53           HB3      SER  53   5.779  -0.114   6.013
  360    HG   SER  53           HG       SER  53   7.451  -1.230   5.148
  361    H    GLU  54           H        GLU  54   8.393   2.603   4.341
  362    HA   GLU  54           HA       GLU  54   7.748   3.600   1.727
  363    HB2  GLU  54           HB3      GLU  54  10.388   3.347   3.177
  364    HG2  GLU  54           HG3      GLU  54   8.681   5.769   2.646
  365    H    GLY  55           H        GLY  55  10.233   1.266   2.788
  366    HA2  GLY  55           HA2      GLY  55   9.885  -0.999   1.625
  367    HA3  GLY  55           HA3      GLY  55   9.986  -0.036   0.159
  368    H    CYS  56           H        CYS  56  12.025   1.691   0.710
  369    HA   CYS  56           HA       CYS  56  14.305  -0.069   0.510
  370    HB2  CYS  56           HB3      CYS  56  14.103   1.867  -0.987
  371    HG   CYS  56           HG       CYS  56  16.780   0.954   0.370
  372    H    LEU  57           H        LEU  57  13.538   2.769   2.538
  373    HA   LEU  57           HA       LEU  57  15.665   2.295   4.354
  374    HB2  LEU  57           HB3      LEU  57  14.741   4.513   4.098
  375    HG   LEU  57           HG       LEU  57  14.031   3.530   6.865
  376   HD11  LEU  57          HD11      LEU  57  16.628   4.595   5.768
  377   HD12  LEU  57          HD12      LEU  57  16.292   4.272   7.469
  378   HD13  LEU  57          HD13      LEU  57  16.314   2.945   6.306
  379   HD21  LEU  57          HD21      LEU  57  13.101   5.727   6.363
  380   HD22  LEU  57          HD22      LEU  57  14.417   5.848   7.532
  381   HD23  LEU  57          HD23      LEU  57  14.691   6.291   5.846
  382    H    SER  58           H        SER  58  15.808   0.747   5.815
  383    HA   SER  58           HA       SER  58  13.473  -0.772   6.596
  384    HB2  SER  58           HB3      SER  58  15.095  -2.193   7.811
  385    HG   SER  58           HG       SER  58  17.104  -0.495   6.766
  386    H    GLY  59           H        GLY  59  15.528   1.700   7.919
  387    HA2  GLY  59           HA2      GLY  59  14.297   1.391  10.567
  388    HA3  GLY  59           HA3      GLY  59  15.714   2.362  10.201
  389    H    SER  60           H        SER  60  12.299   2.179   9.188
  390    HA   SER  60           HA       SER  60  11.978   4.791   8.372
  391    HB2  SER  60           HB3      SER  60   9.572   4.493   8.832
  392    HG   SER  60           HG       SER  60   9.850   3.356  10.844
  393    H    CYS  61           H        CYS  61  10.438   6.386   9.582
  394    HA   CYS  61           HA       CYS  61  10.890   6.521  12.438
  395    HB2  CYS  61           HB3      CYS  61  12.001   8.640  10.587
  396    HG   CYS  61           HG       CYS  61  14.147   7.531  12.817
  397    H    LYS  62           H        LYS  62   9.780   8.423  13.410
  398    HA   LYS  62           HA       LYS  62   7.233   8.814  12.075
  399    HB2  LYS  62           HB3      LYS  62   6.561   9.876  14.226
  400    HG2  LYS  62           HG3      LYS  62   9.274   9.016  15.207
  401    HD2  LYS  62           HD3      LYS  62   7.036  10.477  16.603
  402    HE2  LYS  62           HE3      LYS  62   9.298  11.056  17.387
  403    HZ1  LYS  62           HZ1      LYS  62  10.599   9.336  18.504
  404    HZ2  LYS  62           HZ2      LYS  62  10.459   9.027  16.846
  405    HZ3  LYS  62           HZ3      LYS  62   9.528   8.151  17.951
  406    H    SER  63           H        SER  63  10.097  10.629  12.880
  407    HA   SER  63           HA       SER  63   8.867  13.171  12.217
  408    HB2  SER  63           HB3      SER  63  11.756  12.522  12.854
  409    HG   SER  63           HG       SER  63  10.552  12.147  14.671
  410    H    CYS  64           H        CYS  64   8.433  13.424  10.106
  411    HA   CYS  64           HA       CYS  64  10.301  12.450   8.103
  412    HB2  CYS  64           HB3      CYS  64   7.619  13.812   7.797
  413    HG   CYS  64           HG       CYS  64   8.076  10.866   8.824
  414    HA   PRO  65           HA       PRO  65  12.183  16.448   7.648
  415    HB2  PRO  65           HB3      PRO  65  13.614  15.994   5.419
  416    HG2  PRO  65           HG3      PRO  65  12.555  14.090   4.621
  417    HD2  PRO  65           HD3      PRO  65  11.120  12.887   5.936
  418    H    GLU  66           H        GLU  66  10.207  14.991   5.174
  419    HA   GLU  66           HA       GLU  66   9.403  17.650   4.281
  420    HB2  GLU  66           HB3      GLU  66  11.170  16.922   2.718
  421    HG2  GLU  66           HG3      GLU  66   8.438  16.838   1.459
  422    H    GLY  67           H        GLY  67   8.844  14.298   3.180
  423    HA2  GLY  67           HA2      GLY  67   6.753  13.217   4.017
  424    HA3  GLY  67           HA3      GLY  67   5.968  14.754   3.687
  425    H    LYS  68           H        LYS  68   8.234  12.745   1.811
  426    HA   LYS  68           HA       LYS  68   6.253  12.750  -0.370
  427    HB2  LYS  68           HB3      LYS  68   8.215  14.082  -0.944
  428    HG2  LYS  68           HG3      LYS  68   8.383  11.453  -2.401
  429    HD2  LYS  68           HD3      LYS  68   9.119  12.813  -4.277
  430    HE2  LYS  68           HE3      LYS  68  11.302  13.533  -3.441
  431    HZ1  LYS  68           HZ1      LYS  68  10.368  11.042  -2.125
  432    HZ2  LYS  68           HZ2      LYS  68  11.980  11.454  -2.428
  433    HZ3  LYS  68           HZ3      LYS  68  10.925  11.161  -3.716
  434    H    ALA  69           H        ALA  69   5.284  10.814  -0.254
  435    HA   ALA  69           HA       ALA  69   6.854   8.453  -0.789
  436    HB1  ALA  69           HB1      ALA  69   6.079   7.174   1.130
  437    HB2  ALA  69           HB2      ALA  69   6.996   8.585   1.656
  438    HB3  ALA  69           HB3      ALA  69   5.235   8.592   1.754
  439    H    ALA  70           H        ALA  70   3.633   9.394   0.424
  440    HA   ALA  70           HA       ALA  70   1.534   8.999  -0.360
  441    HB1  ALA  70           HB1      ALA  70   1.210   8.714  -2.755
  442    HB2  ALA  70           HB2      ALA  70   2.388   9.987  -2.429
  443    HB3  ALA  70           HB3      ALA  70   2.933   8.397  -2.961
  444    H    CYS  71           H        CYS  71   3.436   6.763   0.576
  445    HA   CYS  71           HA       CYS  71   2.132   4.455  -0.660
  446    HB2  CYS  71           HB3      CYS  71   3.812   3.113   0.509
  447    HG   CYS  71           HG       CYS  71   3.974   4.787   2.903
  448    H    ARG  72           H        ARG  72   0.603   3.285   0.336
  449    HA   ARG  72           HA       ARG  72   0.296   3.422   3.224
  450    HB2  ARG  72           HB3      ARG  72  -2.167   3.921   2.966
  451    HG2  ARG  72           HG3      ARG  72  -1.329   4.913   0.249
  452    HD2  ARG  72           HD3      ARG  72  -4.044   4.890   1.535
  453    HE   ARG  72           HE       ARG  72  -3.256   5.425  -1.107
  454   HH11  ARG  72          HH12      ARG  72  -5.259   6.739   1.420
  455   HH12  ARG  72          HH11      ARG  72  -6.369   7.494   0.326
  456   HH21  ARG  72          HH21      ARG  72  -4.709   6.416  -2.557
  457   HH22  ARG  72          HH22      ARG  72  -6.056   7.310  -1.936
  458    H    GLN  73           H        GLN  73  -0.143   1.471   3.989
  459    HA   GLN  73           HA       GLN  73  -1.797  -0.379   2.459
  460    HB2  GLN  73           HB3      GLN  73  -0.066  -2.203   3.016
  461    HG2  GLN  73           HG3      GLN  73   1.295  -0.244   4.283
  462   HE21  GLN  73          HE22      GLN  73   1.642   1.705   3.263
  463   HE22  GLN  73          HE21      GLN  73   2.820   1.914   2.018
  464    H    GLU  74           H        GLU  74  -3.222  -1.356   3.772
  465    HA   GLU  74           HA       GLU  74  -2.834  -1.092   6.658
  466    HB2  GLU  74           HB3      GLU  74  -5.302  -2.337   5.566
  467    HG2  GLU  74           HG3      GLU  74  -4.995  -0.546   3.976
  468    H    TRP  75           H        TRP  75  -4.010  -3.032   7.857
  469    HA   TRP  75           HA       TRP  75  -2.901  -5.537   6.795
  470    HB2  TRP  75           HB3      TRP  75  -1.504  -4.632   8.647
  471    HD1  TRP  75           HD1      TRP  75  -4.066  -7.460   9.426
  472    HE1  TRP  75           HE1      TRP  75  -2.730  -9.581  10.008
  473    HE3  TRP  75           HE3      TRP  75   0.671  -5.570   9.034
  474    HZ2  TRP  75           HZ2      TRP  75  -0.025 -10.349  10.269
  475    HZ3  TRP  75           HZ3      TRP  75   2.576  -7.064   9.469
  476    HH2  TRP  75           HH2      TRP  75   2.233  -9.404  10.075
  477    H    TRP  76           H        TRP  76  -4.385  -7.108   6.599
  478    HA   TRP  76           HA       TRP  76  -6.972  -6.708   7.921
  479    HB2  TRP  76           HB3      TRP  76  -6.593  -7.120   5.341
  480    HD1  TRP  76           HD1      TRP  76  -8.923  -5.776   5.852
  481    HE1  TRP  76           HE1      TRP  76 -11.341  -6.645   5.969
  482    HE3  TRP  76           HE3      TRP  76  -7.964 -10.761   6.465
  483    HZ2  TRP  76           HZ2      TRP  76 -12.669  -9.116   6.278
  484    HZ3  TRP  76           HZ3      TRP  76  -9.866 -12.308   6.664
  485    HH2  TRP  76           HH2      TRP  76 -12.168 -11.503   6.573
  486    H    ALA  77           H        ALA  77  -7.440  -7.846   9.661
  487    HA   ALA  77           HA       ALA  77  -6.485 -10.605   9.878
  488    HB1  ALA  77           HB1      ALA  77  -5.804 -10.268  12.207
  489    HB2  ALA  77           HB2      ALA  77  -4.855  -9.275  11.103
  490    HB3  ALA  77           HB3      ALA  77  -6.147  -8.546  12.056
  491    H    LEU  78           H        LEU  78  -8.055 -11.945  10.531
  492    HA   LEU  78           HA       LEU  78 -10.678 -11.034  10.915
  493    HB2  LEU  78           HB3      LEU  78  -9.388 -13.695  11.463
  494    HG   LEU  78           HG       LEU  78 -11.223 -12.732   9.274
  495   HD11  LEU  78          HD11      LEU  78  -9.365 -13.741   7.879
  496   HD12  LEU  78          HD12      LEU  78  -8.977 -12.251   8.741
  497   HD13  LEU  78          HD13      LEU  78  -8.416 -13.803   9.364
  498   HD21  LEU  78          HD21      LEU  78 -11.171 -15.083   8.485
  499   HD22  LEU  78          HD22      LEU  78 -10.409 -15.540  10.009
  500   HD23  LEU  78          HD23      LEU  78 -12.041 -14.874  10.005
  501    H    ARG  79           H        ARG  79 -11.962 -10.805  12.703
  502    HA   ARG  79           HA       ARG  79 -10.585 -10.875  15.307
  503    HB2  ARG  79           HB3      ARG  79 -10.961  -8.566  14.370
  504    HG2  ARG  79           HG3      ARG  79 -11.873  -7.569  16.373
  505    HD2  ARG  79           HD3      ARG  79 -10.225 -10.003  17.042
  506    HE   ARG  79           HE       ARG  79 -11.090  -7.930  18.718
  507   HH11  ARG  79          HH12      ARG  79  -8.173  -9.614  17.831
  508   HH12  ARG  79          HH11      ARG  79  -7.399  -9.339  19.356
  509   HH21  ARG  79          HH21      ARG  79 -10.080  -7.564  20.728
  510   HH22  ARG  79          HH22      ARG  79  -8.483  -8.176  21.005
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  -7.178  -4.639 -14.764
    2    H2   MET   1           H2       MET   1  -7.394  -6.267 -14.362
    3    H3   MET   1           H3       MET   1  -6.179  -5.364 -13.608
    4    HA   MET   1           HA       MET   1  -7.819  -3.961 -12.554
    5    HB2  MET   1           HB3      MET   1  -9.536  -4.187 -14.315
    6    HG2  MET   1           HG3      MET   1 -11.532  -4.449 -12.920
    7    HE1  MET   1           HE1      MET   1 -12.569  -2.604 -11.334
    8    HE2  MET   1           HE2      MET   1 -11.601  -3.223  -9.997
    9    HE3  MET   1           HE3      MET   1 -11.603  -1.497 -10.361
   10    H    ALA   2           H        ALA   2  -8.376  -4.457 -10.445
   11    HA   ALA   2           HA       ALA   2  -8.703  -7.189  -9.593
   12    HB1  ALA   2           HB1      ALA   2  -6.276  -7.088  -9.809
   13    HB2  ALA   2           HB2      ALA   2  -6.232  -5.682  -8.746
   14    HB3  ALA   2           HB3      ALA   2  -6.755  -7.246  -8.120
   15    H    SER   3           H        SER   3 -10.351  -6.980  -8.233
   16    HA   SER   3           HA       SER   3 -10.620  -4.575  -6.610
   17    HB2  SER   3           HB3      SER   3 -12.600  -5.383  -7.818
   18    HG   SER   3           HG       SER   3 -13.091  -4.375  -5.901
   19    H    LEU   4           H        LEU   4 -11.925  -5.435  -4.395
   20    HA   LEU   4           HA       LEU   4  -9.771  -6.490  -2.827
   21    HB2  LEU   4           HB3      LEU   4 -11.308  -6.217  -0.927
   22    HG   LEU   4           HG       LEU   4 -13.335  -5.531  -3.038
   23   HD11  LEU   4          HD11      LEU   4 -13.261  -7.332  -0.638
   24   HD12  LEU   4          HD12      LEU   4 -14.772  -6.845  -1.404
   25   HD13  LEU   4          HD13      LEU   4 -13.573  -7.751  -2.320
   26   HD21  LEU   4          HD21      LEU   4 -13.289  -4.627  -0.163
   27   HD22  LEU   4          HD22      LEU   4 -13.235  -3.603  -1.597
   28   HD23  LEU   4          HD23      LEU   4 -14.691  -4.529  -1.229
   29    H    MET   5           H        MET   5 -12.374  -7.896  -4.524
   30    HA   MET   5           HA       MET   5 -13.089 -10.062  -2.960
   31    HB2  MET   5           HB3      MET   5 -12.752  -9.960  -5.965
   32    HG2  MET   5           HG3      MET   5 -15.224  -9.584  -4.289
   33    HE1  MET   5           HE1      MET   5 -16.454 -11.763  -7.325
   34    HE2  MET   5           HE2      MET   5 -14.906 -11.941  -6.499
   35    HE3  MET   5           HE3      MET   5 -16.371 -11.630  -5.568
   36    H    GLU   6           H        GLU   6 -10.278  -9.648  -5.055
   37    HA   GLU   6           HA       GLU   6  -9.301 -12.268  -4.969
   38    HB2  GLU   6           HB3      GLU   6  -8.441 -10.547  -6.500
   39    HG2  GLU   6           HG3      GLU   6  -6.266 -11.554  -4.678
   40    H    VAL   7           H        VAL   7  -8.078  -9.493  -3.083
   41    HA   VAL   7           HA       VAL   7  -6.578 -11.043  -1.282
   42    HB   VAL   7           HB       VAL   7  -6.509  -9.045   0.146
   43   HG11  VAL   7          HG11      VAL   7  -6.215  -8.445  -2.796
   44   HG12  VAL   7          HG12      VAL   7  -5.510  -7.499  -1.484
   45   HG13  VAL   7          HG13      VAL   7  -4.994  -9.166  -1.746
   46   HG21  VAL   7          HG21      VAL   7  -8.503  -7.881  -1.797
   47   HG22  VAL   7          HG22      VAL   7  -8.841  -8.346  -0.131
   48   HG23  VAL   7          HG23      VAL   7  -7.725  -7.024  -0.467
   49    H    ARG   8           H        ARG   8  -9.915 -10.055  -1.335
   50    HA   ARG   8           HA       ARG   8 -10.702 -10.423   1.276
   51    HB2  ARG   8           HB3      ARG   8 -12.197  -9.567  -0.435
   52    HG2  ARG   8           HG3      ARG   8 -13.082 -11.076   1.560
   53    HD2  ARG   8           HD3      ARG   8 -14.061 -12.482  -0.921
   54    HE   ARG   8           HE       ARG   8 -15.177 -12.402   1.721
   55   HH11  ARG   8          HH12      ARG   8 -14.741 -14.347  -1.136
   56   HH12  ARG   8          HH11      ARG   8 -16.113 -15.354  -0.816
   57   HH21  ARG   8          HH21      ARG   8 -16.987 -13.720   2.149
   58   HH22  ARG   8          HH22      ARG   8 -17.393 -14.996   1.050
   59    H    ASP   9           H        ASP   9 -10.620 -12.887  -1.298
   60    HA   ASP   9           HA       ASP   9 -11.332 -15.027   0.432
   61    HB2  ASP   9           HB3      ASP   9 -11.726 -15.123  -1.990
   62    H    MET  10           H        MET  10  -8.243 -13.913  -0.915
   63    HA   MET  10           HA       MET  10  -6.597 -15.920   0.065
   64    HB2  MET  10           HB3      MET  10  -5.945 -12.985  -0.258
   65    HG2  MET  10           HG3      MET  10  -5.542 -15.266  -2.179
   66    HE1  MET  10           HE1      MET  10  -3.034 -13.707  -1.054
   67    HE2  MET  10           HE2      MET  10  -2.921 -14.876  -2.368
   68    HE3  MET  10           HE3      MET  10  -2.187 -13.282  -2.540
   69    H    LEU  11           H        LEU  11  -7.504 -12.849   1.625
   70    HA   LEU  11           HA       LEU  11  -6.100 -13.490   4.044
   71    HB2  LEU  11           HB3      LEU  11  -7.976 -11.299   3.226
   72    HG   LEU  11           HG       LEU  11  -6.142  -9.800   3.697
   73   HD11  LEU  11          HD11      LEU  11  -5.176 -11.019   5.585
   74   HD12  LEU  11          HD12      LEU  11  -4.573 -12.252   4.479
   75   HD13  LEU  11          HD13      LEU  11  -3.953 -10.604   4.384
   76   HD21  LEU  11          HD21      LEU  11  -6.192 -10.729   1.469
   77   HD22  LEU  11          HD22      LEU  11  -4.519 -10.562   1.999
   78   HD23  LEU  11          HD23      LEU  11  -5.290 -12.146   2.005
   79    H    ALA  12           H        ALA  12  -9.395 -13.778   2.886
   80    HA   ALA  12           HA       ALA  12 -10.624 -14.285   5.381
   81    HB1  ALA  12           HB1      ALA  12 -11.468 -15.083   2.601
   82    HB2  ALA  12           HB2      ALA  12 -12.479 -15.211   4.040
   83    HB3  ALA  12           HB3      ALA  12 -11.945 -13.628   3.476
   84    H    LEU  13           H        LEU  13  -8.607 -16.208   3.384
   85    HA   LEU  13           HA       LEU  13  -9.445 -18.651   4.789
   86    HB2  LEU  13           HB3      LEU  13  -7.802 -18.359   2.274
   87    HG   LEU  13           HG       LEU  13 -10.268 -17.788   2.030
   88   HD11  LEU  13          HD11      LEU  13  -9.196 -20.169   0.526
   89   HD12  LEU  13          HD12      LEU  13 -10.511 -19.117   0.002
   90   HD13  LEU  13          HD13      LEU  13  -8.876 -18.475   0.153
   91   HD21  LEU  13          HD21      LEU  13 -10.528 -20.725   2.659
   92   HD22  LEU  13          HD22      LEU  13 -11.172 -19.385   3.607
   93   HD23  LEU  13          HD23      LEU  13 -11.807 -19.709   1.995
   94    H    GLN  14           H        GLN  14  -7.565 -16.408   5.673
   95    HA   GLN  14           HA       GLN  14  -5.351 -18.182   6.443
   96    HB2  GLN  14           HB3      GLN  14  -5.183 -15.365   5.394
   97    HG2  GLN  14           HG3      GLN  14  -4.876 -17.226   3.797
   98   HE21  GLN  14          HE22      GLN  14  -4.857 -19.312   4.661
   99   HE22  GLN  14          HE21      GLN  14  -3.384 -20.116   5.069
  100    H    GLY  15           H        GLY  15  -6.483 -14.867   7.146
  101    HA2  GLY  15           HA2      GLY  15  -7.663 -14.653   9.364
  102    HA3  GLY  15           HA3      GLY  15  -6.303 -15.555  10.015
  103    H    ARG  16           H        ARG  16  -4.345 -14.529  10.359
  104    HA   ARG  16           HA       ARG  16  -4.513 -11.616  10.419
  105    HB2  ARG  16           HB3      ARG  16  -2.578 -13.552  11.696
  106    HG2  ARG  16           HG3      ARG  16  -3.454 -12.576  13.810
  107    HD2  ARG  16           HD3      ARG  16  -5.611 -13.863  12.148
  108    HE   ARG  16           HE       ARG  16  -5.740 -13.180  14.763
  109   HH11  ARG  16          HH12      ARG  16  -5.600 -16.225  13.079
  110   HH12  ARG  16          HH11      ARG  16  -6.509 -17.079  14.281
  111   HH21  ARG  16          HH21      ARG  16  -6.939 -14.294  16.351
  112   HH22  ARG  16          HH22      ARG  16  -7.268 -15.981  16.142
  113    H    MET  17           H        MET  17  -4.124 -11.038   8.297
  114    HA   MET  17           HA       MET  17  -1.346 -11.076   7.504
  115    HB2  MET  17           HB3      MET  17  -3.453 -12.613   6.054
  116    HG2  MET  17           HG3      MET  17  -1.719 -13.787   7.349
  117    HE1  MET  17           HE1      MET  17   2.094 -14.362   6.699
  118    HE2  MET  17           HE2      MET  17   0.706 -14.794   7.698
  119    HE3  MET  17           HE3      MET  17   0.739 -15.245   5.993
  120    H    GLU  18           H        GLU  18  -1.167  -9.918   5.257
  121    HA   GLU  18           HA       GLU  18  -3.218  -7.852   4.966
  122    HB2  GLU  18           HB3      GLU  18  -1.609  -6.053   5.016
  123    HG2  GLU  18           HG3      GLU  18   0.473  -8.142   5.620
  124    H    ALA  19           H        ALA  19  -2.953  -6.593   2.958
  125    HA   ALA  19           HA       ALA  19  -2.300  -8.346   0.781
  126    HB1  ALA  19           HB1      ALA  19  -3.015  -6.380  -0.619
  127    HB2  ALA  19           HB2      ALA  19  -4.224  -6.989   0.513
  128    HB3  ALA  19           HB3      ALA  19  -3.321  -5.523   0.889
  129    H    LYS  20           H        LYS  20  -0.579  -5.990   2.560
  130    HA   LYS  20           HA       LYS  20   1.104  -4.802   0.748
  131    HB2  LYS  20           HB3      LYS  20   1.201  -4.190   3.059
  132    HG2  LYS  20           HG3      LYS  20   3.823  -5.564   2.528
  133    HD2  LYS  20           HD3      LYS  20   3.093  -3.098   4.104
  134    HE2  LYS  20           HE3      LYS  20   5.273  -2.902   2.992
  135    HZ1  LYS  20           HZ1      LYS  20   5.819  -5.254   2.826
  136    HZ2  LYS  20           HZ2      LYS  20   5.976  -5.357   4.508
  137    HZ3  LYS  20           HZ3      LYS  20   7.050  -4.404   3.616
  138    H    GLN  21           H        GLN  21   1.487  -7.987   2.262
  139    HA   GLN  21           HA       GLN  21   3.951  -8.684   1.221
  140    HB2  GLN  21           HB3      GLN  21   1.572 -10.493   1.693
  141    HG2  GLN  21           HG3      GLN  21   2.148  -9.295   3.718
  142   HE21  GLN  21          HE22      GLN  21   3.598  -8.650   5.289
  143   HE22  GLN  21          HE21      GLN  21   5.304  -8.616   5.022
  144    H    LEU  22           H        LEU  22   0.769  -9.543  -0.154
  145    HA   LEU  22           HA       LEU  22   1.913 -10.479  -2.594
  146    HB2  LEU  22           HB3      LEU  22  -0.424 -10.626  -3.376
  147    HG   LEU  22           HG       LEU  22  -1.055  -9.242  -0.784
  148   HD11  LEU  22          HD11      LEU  22  -1.910  -8.945  -3.650
  149   HD12  LEU  22          HD12      LEU  22  -2.785  -8.193  -2.315
  150   HD13  LEU  22          HD13      LEU  22  -1.102  -7.769  -2.616
  151   HD21  LEU  22          HD21      LEU  22  -2.860 -11.105  -2.324
  152   HD22  LEU  22          HD22      LEU  22  -2.219 -11.375  -0.703
  153   HD23  LEU  22          HD23      LEU  22  -3.357 -10.060  -0.994
  154    H    SER  23           H        SER  23   1.034  -7.379  -1.426
  155    HA   SER  23           HA       SER  23   0.440  -6.142  -3.913
  156    HB2  SER  23           HB3      SER  23  -0.262  -5.142  -1.792
  157    HG   SER  23           HG       SER  23   0.634  -3.004  -2.178
  158    H    ALA  24           H        ALA  24   3.395  -6.575  -2.032
  159    HA   ALA  24           HA       ALA  24   4.982  -5.021  -3.880
  160    HB1  ALA  24           HB1      ALA  24   6.867  -5.627  -2.464
  161    HB2  ALA  24           HB2      ALA  24   5.519  -5.042  -1.489
  162    HB3  ALA  24           HB3      ALA  24   5.854  -6.771  -1.582
  163    H    ARG  25           H        ARG  25   4.460  -8.430  -3.120
  164    HA   ARG  25           HA       ARG  25   6.457  -9.468  -4.825
  165    HB2  ARG  25           HB3      ARG  25   3.898 -10.713  -3.805
  166    HG2  ARG  25           HG3      ARG  25   6.743 -11.033  -2.870
  167    HD2  ARG  25           HD3      ARG  25   4.189 -12.192  -1.766
  168    HE   ARG  25           HE       ARG  25   6.573 -11.835  -0.453
  169   HH11  ARG  25          HH12      ARG  25   4.617 -14.553  -1.405
  170   HH12  ARG  25          HH11      ARG  25   5.122 -15.546  -0.079
  171   HH21  ARG  25          HH21      ARG  25   7.248 -13.136   1.296
  172   HH22  ARG  25          HH22      ARG  25   6.617 -14.741   1.455
  173    H    LEU  26           H        LEU  26   3.289  -8.225  -5.415
  174    HA   LEU  26           HA       LEU  26   3.338  -9.262  -8.163
  175    HB2  LEU  26           HB3      LEU  26   1.084  -8.085  -6.540
  176    HG   LEU  26           HG       LEU  26   1.504 -10.404  -5.914
  177   HD11  LEU  26          HD11      LEU  26  -0.806  -9.642  -6.016
  178   HD12  LEU  26          HD12      LEU  26  -0.896 -10.109  -7.715
  179   HD13  LEU  26          HD13      LEU  26  -0.684 -11.342  -6.470
  180   HD21  LEU  26          HD21      LEU  26   2.702 -11.124  -7.908
  181   HD22  LEU  26          HD22      LEU  26   1.338 -12.196  -7.581
  182   HD23  LEU  26          HD23      LEU  26   1.223 -10.989  -8.861
  183    H    GLN  27           H        GLN  27   3.989  -6.463  -6.385
  184    HA   GLN  27           HA       GLN  27   4.466  -4.321  -6.955
  185    HB2  GLN  27           HB3      GLN  27   4.555  -5.505  -9.734
  186    HG2  GLN  27           HG3      GLN  27   7.028  -5.152  -9.430
  187   HE21  GLN  27          HE22      GLN  27   7.849  -6.690  -7.061
  188   HE22  GLN  27          HE21      GLN  27   7.315  -8.307  -7.350
  189    H    THR  28           H        THR  28   2.264  -3.874  -6.228
  190    HA   THR  28           HA       THR  28   0.644  -2.764  -8.417
  191    HB   THR  28           HB       THR  28  -0.391  -4.859  -7.594
  192    HG1  THR  28           HG1      THR  28  -2.235  -3.891  -7.959
  193   HG21  THR  28          HG21      THR  28   0.410  -4.752  -5.275
  194   HG22  THR  28          HG22      THR  28  -1.342  -4.946  -5.349
  195   HG23  THR  28          HG23      THR  28  -0.643  -3.369  -4.980
  196    HA   PRO  29           HA       PRO  29   0.701   1.138  -6.366
  197    HB2  PRO  29           HB3      PRO  29  -2.274   1.013  -6.678
  198    HG2  PRO  29           HG3      PRO  29  -2.137   0.776  -8.994
  199    HD2  PRO  29           HD3      PRO  29  -1.551  -1.361  -8.395
  200    H    GLN  30           H        GLN  30   1.061   1.236  -4.255
  201    HA   GLN  30           HA       GLN  30  -0.304  -0.354  -2.341
  202    HB2  GLN  30           HB3      GLN  30   1.487   2.036  -1.881
  203    HG2  GLN  30           HG3      GLN  30   2.201  -0.887  -1.941
  204   HE21  GLN  30          HE22      GLN  30   4.824  -0.034  -2.883
  205   HE22  GLN  30          HE21      GLN  30   5.666   0.546  -1.491
  206    HA   PRO  31           HA       PRO  31  -2.139   4.144  -1.162
  207    HB2  PRO  31           HB3      PRO  31  -2.719   4.774  -4.023
  208    HG2  PRO  31           HG3      PRO  31  -0.503   5.305  -4.500
  209    HD2  PRO  31           HD3      PRO  31  -0.341   3.011  -4.467
  210    H    LEU  32           H        LEU  32  -3.050   1.910  -3.706
  211    HA   LEU  32           HA       LEU  32  -5.887   2.301  -3.234
  212    HB2  LEU  32           HB3      LEU  32  -4.913   1.866  -5.506
  213    HG   LEU  32           HG       LEU  32  -6.640   0.515  -6.361
  214   HD11  LEU  32          HD11      LEU  32  -7.156  -0.659  -3.645
  215   HD12  LEU  32          HD12      LEU  32  -7.805  -1.173  -5.199
  216   HD13  LEU  32          HD13      LEU  32  -6.099  -1.422  -4.831
  217   HD21  LEU  32          HD21      LEU  32  -7.696   1.695  -3.796
  218   HD22  LEU  32          HD22      LEU  32  -7.413   2.588  -5.291
  219   HD23  LEU  32          HD23      LEU  32  -8.632   1.315  -5.240
  220    H    ILE  33           H        ILE  33  -3.459  -0.241  -2.746
  221    HA   ILE  33           HA       ILE  33  -5.003  -2.301  -1.810
  222    HB   ILE  33           HB       ILE  33  -2.331  -1.436  -0.693
  223   HG12  ILE  33          HG13      ILE  33  -2.290  -1.791  -3.120
  224   HG21  ILE  33          HG21      ILE  33  -2.089  -3.807  -0.049
  225   HG22  ILE  33          HG22      ILE  33  -3.409  -3.003   0.801
  226   HG23  ILE  33          HG23      ILE  33  -3.757  -4.089  -0.545
  227   HD11  ILE  33          HD11      ILE  33  -4.197  -3.303  -3.353
  228   HD12  ILE  33          HD12      ILE  33  -2.739  -3.953  -4.102
  229   HD13  ILE  33          HD13      ILE  33  -3.279  -4.572  -2.541
  230    H    ASP  34           H        ASP  34  -3.708   0.391   0.140
  231    HA   ASP  34           HA       ASP  34  -4.661  -0.356   2.615
  232    HB2  ASP  34           HB3      ASP  34  -3.208   1.579   2.304
  233    H    ALA  35           H        ALA  35  -6.379   1.274  -0.004
  234    HA   ALA  35           HA       ALA  35  -8.790   1.641   1.496
  235    HB1  ALA  35           HB1      ALA  35  -8.207   3.095  -0.395
  236    HB2  ALA  35           HB2      ALA  35  -8.372   1.719  -1.488
  237    HB3  ALA  35           HB3      ALA  35  -9.779   2.324  -0.614
  238    H    MET  36           H        MET  36  -7.418  -0.889  -0.434
  239    HA   MET  36           HA       MET  36  -9.769  -2.285  -1.104
  240    HB2  MET  36           HB3      MET  36  -7.547  -2.720  -2.116
  241    HG2  MET  36           HG3      MET  36  -8.650  -5.181  -0.784
  242    HE1  MET  36           HE1      MET  36  -6.203  -4.876  -4.685
  243    HE2  MET  36           HE2      MET  36  -7.846  -4.253  -4.518
  244    HE3  MET  36           HE3      MET  36  -6.520  -3.500  -3.629
  245    H    LEU  37           H        LEU  37  -7.538  -2.601   1.630
  246    HA   LEU  37           HA       LEU  37  -9.043  -4.637   2.931
  247    HB2  LEU  37           HB3      LEU  37  -6.902  -2.755   3.898
  248    HG   LEU  37           HG       LEU  37  -5.563  -4.871   4.121
  249   HD11  LEU  37          HD11      LEU  37  -6.242  -6.804   2.829
  250   HD12  LEU  37          HD12      LEU  37  -7.455  -6.436   4.057
  251   HD13  LEU  37          HD13      LEU  37  -7.744  -5.998   2.373
  252   HD21  LEU  37          HD21      LEU  37  -5.287  -3.242   2.286
  253   HD22  LEU  37          HD22      LEU  37  -4.905  -4.896   1.810
  254   HD23  LEU  37          HD23      LEU  37  -6.437  -4.172   1.327
  255    H    GLU  38           H        GLU  38  -8.616  -1.148   3.593
  256    HA   GLU  38           HA       GLU  38 -10.383  -0.879   5.692
  257    HB2  GLU  38           HB3      GLU  38  -9.769   1.031   3.436
  258    HG2  GLU  38           HG3      GLU  38  -8.838   0.897   6.290
  259    H    ARG  39           H        ARG  39 -11.050  -1.008   2.242
  260    HA   ARG  39           HA       ARG  39 -13.780  -0.350   2.348
  261    HB2  ARG  39           HB3      ARG  39 -12.486  -0.362   0.261
  262    HG2  ARG  39           HG3      ARG  39 -14.030  -1.553  -1.222
  263    HD2  ARG  39           HD3      ARG  39 -16.075  -0.414  -0.567
  264    HE   ARG  39           HE       ARG  39 -13.637   0.946  -0.740
  265   HH11  ARG  39          HH12      ARG  39 -16.888   1.449   0.408
  266   HH12  ARG  39          HH11      ARG  39 -16.850   3.163   0.153
  267   HH21  ARG  39          HH21      ARG  39 -13.578   3.200  -1.077
  268   HH22  ARG  39          HH22      ARG  39 -14.971   4.156  -0.694
  269    H    MET  40           H        MET  40 -12.148  -3.514   2.322
  270    HA   MET  40           HA       MET  40 -14.466  -5.084   2.482
  271    HB2  MET  40           HB3      MET  40 -12.275  -6.001   1.882
  272    HG2  MET  40           HG3      MET  40 -12.277  -8.044   3.132
  273    HE1  MET  40           HE1      MET  40 -15.787  -9.817   2.904
  274    HE2  MET  40           HE2      MET  40 -14.049 -10.071   3.054
  275    HE3  MET  40           HE3      MET  40 -14.941  -9.285   4.357
  276    H    GLU  41           H        GLU  41 -12.395  -3.734   5.019
  277    HA   GLU  41           HA       GLU  41 -13.992  -4.872   7.133
  278    HB2  GLU  41           HB3      GLU  41 -11.661  -2.963   7.090
  279    HG2  GLU  41           HG3      GLU  41 -10.454  -4.701   8.200
  280    H    ALA  42           H        ALA  42 -14.132  -2.047   5.214
  281    HA   ALA  42           HA       ALA  42 -15.118  -0.101   6.883
  282    HB1  ALA  42           HB1      ALA  42 -14.647   0.290   4.528
  283    HB2  ALA  42           HB2      ALA  42 -16.020  -0.718   4.071
  284    HB3  ALA  42           HB3      ALA  42 -16.288   0.802   4.924
  285    H    MET  43           H        MET  43 -16.662  -3.031   5.840
  286    HA   MET  43           HA       MET  43 -19.313  -2.202   6.623
  287    HB2  MET  43           HB3      MET  43 -19.993  -4.449   6.058
  288    HG2  MET  43           HG3      MET  43 -17.060  -5.099   5.866
  289    HE1  MET  43           HE1      MET  43 -20.791  -6.213   5.246
  290    HE2  MET  43           HE2      MET  43 -20.562  -7.893   4.764
  291    HE3  MET  43           HE3      MET  43 -20.189  -7.391   6.412
  292    H    GLY  44           H        GLY  44 -16.572  -3.699   8.110
  293    HA2  GLY  44           HA2      GLY  44 -16.476  -3.591  10.547
  294    HA3  GLY  44           HA3      GLY  44 -18.169  -4.072  10.566
  295    H    LYS  45           H        LYS  45 -15.386  -5.390   8.776
  296    HA   LYS  45           HA       LYS  45 -16.155  -8.064   9.141
  297    HB2  LYS  45           HB3      LYS  45 -13.448  -6.892   8.496
  298    HG2  LYS  45           HG3      LYS  45 -15.111  -6.420   6.783
  299    HD2  LYS  45           HD3      LYS  45 -16.697  -8.203   7.215
  300    HE2  LYS  45           HE3      LYS  45 -14.556 -10.040   6.148
  301    HZ1  LYS  45           HZ1      LYS  45 -16.170 -11.785   6.603
  302    HZ2  LYS  45           HZ2      LYS  45 -16.755 -10.714   5.430
  303    HZ3  LYS  45           HZ3      LYS  45 -17.333 -10.631   7.017
  304    H    VAL  46           H        VAL  46 -13.084  -6.801  10.419
  305    HA   VAL  46           HA       VAL  46 -13.747  -7.743  13.080
  306    HB   VAL  46           HB       VAL  46 -11.457  -8.964  11.530
  307   HG11  VAL  46          HG11      VAL  46 -12.132  -8.968  14.448
  308   HG12  VAL  46          HG12      VAL  46 -11.300 -10.342  13.719
  309   HG13  VAL  46          HG13      VAL  46 -10.570  -8.739  13.663
  310   HG21  VAL  46          HG21      VAL  46 -12.631 -11.077  11.955
  311   HG22  VAL  46          HG22      VAL  46 -13.946 -10.182  12.718
  312   HG23  VAL  46          HG23      VAL  46 -13.606  -9.959  11.002
  313    H    VAL  47           H        VAL  47 -10.497  -7.322  11.718
  314    HA   VAL  47           HA       VAL  47 -10.294  -4.725  13.063
  315    HB   VAL  47           HB       VAL  47  -8.336  -6.991  13.464
  316   HG11  VAL  47          HG11      VAL  47  -7.153  -5.442  14.959
  317   HG12  VAL  47          HG12      VAL  47  -7.178  -4.859  13.295
  318   HG13  VAL  47          HG13      VAL  47  -8.265  -4.155  14.492
  319   HG21  VAL  47          HG21      VAL  47 -10.080  -5.580  15.480
  320   HG22  VAL  47          HG22      VAL  47 -10.445  -7.151  14.768
  321   HG23  VAL  47          HG23      VAL  47  -9.010  -6.951  15.774
  322    H    ARG  48           H        ARG  48  -8.616  -3.373  12.307
  323    HA   ARG  48           HA       ARG  48  -7.076  -4.237   9.993
  324    HB2  ARG  48           HB3      ARG  48  -7.882  -2.549   8.513
  325    HG2  ARG  48           HG3      ARG  48  -9.624  -1.525  10.751
  326    HD2  ARG  48           HD3      ARG  48  -9.282  -0.636   7.893
  327    HE   ARG  48           HE       ARG  48  -9.823   1.053   9.954
  328   HH11  ARG  48          HH12      ARG  48 -11.652  -0.141   7.244
  329   HH12  ARG  48          HH11      ARG  48 -12.620   1.289   7.099
  330   HH21  ARG  48          HH21      ARG  48 -11.090   2.942   9.775
  331   HH22  ARG  48          HH22      ARG  48 -12.300   3.043   8.538
  332    H    ILE  49           H        ILE  49  -5.239  -2.946   9.604
  333    HA   ILE  49           HA       ILE  49  -4.782  -0.679  11.401
  334    HB   ILE  49           HB       ILE  49  -2.805  -2.947  11.127
  335   HG12  ILE  49          HG13      ILE  49  -4.561  -2.159  13.466
  336   HG21  ILE  49          HG21      ILE  49  -1.765  -0.760  11.421
  337   HG22  ILE  49          HG22      ILE  49  -2.758  -0.469  12.848
  338   HG23  ILE  49          HG23      ILE  49  -1.555  -1.759  12.858
  339   HD11  ILE  49          HD11      ILE  49  -2.415  -2.947  14.269
  340   HD12  ILE  49          HD12      ILE  49  -3.678  -4.138  14.578
  341   HD13  ILE  49          HD13      ILE  49  -2.545  -4.380  13.249
  342    H    SER  50           H        SER  50  -4.287   0.956  10.092
  343    HA   SER  50           HA       SER  50  -3.010   0.448   7.537
  344    HB2  SER  50           HB3      SER  50  -4.882   1.977   7.519
  345    HG   SER  50           HG       SER  50  -3.359   4.012   7.075
  346    H    GLU  51           H        GLU  51  -0.963   0.719   7.086
  347    HA   GLU  51           HA       GLU  51   0.695   2.373   8.859
  348    HB2  GLU  51           HB3      GLU  51   1.070   0.050   9.482
  349    HG2  GLU  51           HG3      GLU  51   3.369   1.030   7.806
  350    H    THR  52           H        THR  52   2.211   3.610   7.858
  351    HA   THR  52           HA       THR  52   2.474   3.308   4.937
  352    HB   THR  52           HB       THR  52   1.041   5.226   5.391
  353    HG1  THR  52           HG1      THR  52   2.663   5.340   3.694
  354   HG21  THR  52          HG21      THR  52   1.799   5.738   7.659
  355   HG22  THR  52          HG22      THR  52   1.884   7.168   6.630
  356   HG23  THR  52          HG23      THR  52   3.355   6.276   7.024
  357    H    SER  53           H        SER  53   4.475   3.804   4.034
  358    HA   SER  53           HA       SER  53   6.722   3.345   5.717
  359    HB2  SER  53           HB3      SER  53   6.602   4.218   2.820
  360    HG   SER  53           HG       SER  53   6.524   2.141   2.352
  361    H    GLU  54           H        GLU  54   7.884   4.758   6.830
  362    HA   GLU  54           HA       GLU  54   7.663   7.610   6.132
  363    HB2  GLU  54           HB3      GLU  54   8.252   6.375   8.828
  364    HG2  GLU  54           HG3      GLU  54   5.910   6.077   8.238
  365    H    GLY  55           H        GLY  55   9.676   8.746   7.420
  366    HA2  GLY  55           HA2      GLY  55  12.141   7.264   6.965
  367    HA3  GLY  55           HA3      GLY  55  11.880   8.659   5.929
  368    H    CYS  56           H        CYS  56  10.739  10.448   7.671
  369    HA   CYS  56           HA       CYS  56  12.664  10.718   9.869
  370    HB2  CYS  56           HB3      CYS  56  13.007  13.083   9.323
  371    HG   CYS  56           HG       CYS  56  12.389  13.955   6.547
  372    H    LEU  57           H        LEU  57  11.925  13.044  10.963
  373    HA   LEU  57           HA       LEU  57   9.074  13.335  11.127
  374    HB2  LEU  57           HB3      LEU  57   9.411  11.327  12.503
  375    HG   LEU  57           HG       LEU  57   8.751  13.739  14.198
  376   HD11  LEU  57          HD11      LEU  57   7.314  13.515  12.240
  377   HD12  LEU  57          HD12      LEU  57   6.976  11.838  12.673
  378   HD13  LEU  57          HD13      LEU  57   6.432  13.146  13.723
  379   HD21  LEU  57          HD21      LEU  57   7.596  12.143  15.652
  380   HD22  LEU  57          HD22      LEU  57   8.204  10.810  14.668
  381   HD23  LEU  57          HD23      LEU  57   9.328  11.819  15.579
  382    H    SER  58           H        SER  58   9.224  15.497  10.863
  383    HA   SER  58           HA       SER  58  11.023  17.010  12.616
  384    HB2  SER  58           HB3      SER  58  10.565  18.914  11.109
  385    HG   SER  58           HG       SER  58   8.413  17.945  10.499
  386    H    GLY  59           H        GLY  59   7.682  16.338  12.023
  387    HA2  GLY  59           HA2      GLY  59   6.655  17.080  14.410
  388    HA3  GLY  59           HA3      GLY  59   6.701  18.601  13.532
  389    H    SER  60           H        SER  60   6.144  17.447  10.947
  390    HA   SER  60           HA       SER  60   3.325  17.521  11.008
  391    HB2  SER  60           HB3      SER  60   3.461  16.915   8.615
  392    HG   SER  60           HG       SER  60   6.146  16.940   8.398
  393    H    CYS  61           H        CYS  61   1.790  15.897  10.664
  394    HA   CYS  61           HA       CYS  61   2.755  13.144  11.072
  395    HB2  CYS  61           HB3      CYS  61   0.271  14.393  12.266
  396    HG   CYS  61           HG       CYS  61   2.259  15.471  13.784
  397    H    LYS  62           H        LYS  62  -0.361  14.727  10.371
  398    HA   LYS  62           HA       LYS  62  -0.602  12.982   8.010
  399    HB2  LYS  62           HB3      LYS  62  -3.137  13.254   8.464
  400    HG2  LYS  62           HG3      LYS  62  -3.747  13.398  10.815
  401    HD2  LYS  62           HD3      LYS  62  -2.195  15.821   9.906
  402    HE2  LYS  62           HE3      LYS  62  -4.506  15.544  11.822
  403    HZ1  LYS  62           HZ1      LYS  62  -3.033  17.970  10.951
  404    HZ2  LYS  62           HZ2      LYS  62  -4.242  17.917  12.132
  405    HZ3  LYS  62           HZ3      LYS  62  -4.621  17.581  10.519
  406    H    SER  63           H        SER  63   0.396  15.786   8.343
  407    HA   SER  63           HA       SER  63  -1.477  17.633   7.376
  408    HB2  SER  63           HB3      SER  63   1.527  17.589   6.978
  409    HG   SER  63           HG       SER  63   1.644  18.374   8.928
  410    H    CYS  64           H        CYS  64  -2.515  17.668   5.503
  411    HA   CYS  64           HA       CYS  64  -1.540  16.077   3.277
  412    HB2  CYS  64           HB3      CYS  64  -3.722  16.572   2.252
  413    HG   CYS  64           HG       CYS  64  -3.823  19.254   3.793
  414    HA   PRO  65           HA       PRO  65   0.130  19.640   1.207
  415    HB2  PRO  65           HB3      PRO  65   0.702  18.517  -1.162
  416    HG2  PRO  65           HG3      PRO  65  -0.594  16.599  -1.057
  417    HD2  PRO  65           HD3      PRO  65  -1.546  15.924   0.908
  418    H    GLU  66           H        GLU  66  -2.190  17.645  -0.631
  419    HA   GLU  66           HA       GLU  66  -3.794  19.951  -1.239
  420    HB2  GLU  66           HB3      GLU  66  -2.149  20.250  -2.967
  421    HG2  GLU  66           HG3      GLU  66  -3.406  20.028  -5.006
  422    H    GLY  67           H        GLY  67  -3.416  17.017  -3.187
  423    HA2  GLY  67           HA2      GLY  67  -5.892  15.956  -2.018
  424    HA3  GLY  67           HA3      GLY  67  -5.791  16.197  -3.755
  425    H    LYS  68           H        LYS  68  -3.226  15.342  -4.287
  426    HA   LYS  68           HA       LYS  68  -3.518  12.613  -4.595
  427    HB2  LYS  68           HB3      LYS  68  -0.951  14.200  -4.427
  428    HG2  LYS  68           HG3      LYS  68  -2.574  13.372  -6.826
  429    HD2  LYS  68           HD3      LYS  68  -0.020  14.966  -6.649
  430    HE2  LYS  68           HE3      LYS  68  -1.618  14.022  -9.024
  431    HZ1  LYS  68           HZ1      LYS  68   0.768  14.006  -9.431
  432    HZ2  LYS  68           HZ2      LYS  68   0.885  15.616  -8.922
  433    HZ3  LYS  68           HZ3      LYS  68   0.009  15.232 -10.316
  434    H    ALA  69           H        ALA  69  -2.604  10.798  -3.576
  435    HA   ALA  69           HA       ALA  69  -1.988  11.220  -0.727
  436    HB1  ALA  69           HB1      ALA  69  -3.099   8.762  -2.077
  437    HB2  ALA  69           HB2      ALA  69  -2.797   8.949  -0.350
  438    HB3  ALA  69           HB3      ALA  69  -4.027   9.934  -1.143
  439    H    ALA  70           H        ALA  70  -0.877   8.887  -0.009
  440    HA   ALA  70           HA       ALA  70   1.486   8.583  -1.743
  441    HB1  ALA  70           HB1      ALA  70   2.900   8.450   0.234
  442    HB2  ALA  70           HB2      ALA  70   2.038   9.988   0.185
  443    HB3  ALA  70           HB3      ALA  70   1.497   8.707   1.270
  444    H    CYS  71           H        CYS  71   2.753   6.569  -1.185
  445    HA   CYS  71           HA       CYS  71   1.121   4.311  -1.472
  446    HB2  CYS  71           HB3      CYS  71   3.189   3.007  -1.165
  447    HG   CYS  71           HG       CYS  71   5.740   4.118  -0.766
  448    H    ARG  72           H        ARG  72  -0.211   3.523   0.023
  449    HA   ARG  72           HA       ARG  72   0.835   3.062   2.720
  450    HB2  ARG  72           HB3      ARG  72  -1.193   3.879   3.767
  451    HG2  ARG  72           HG3      ARG  72  -2.130   5.035   1.176
  452    HD2  ARG  72           HD3      ARG  72  -4.256   5.131   2.352
  453    HE   ARG  72           HE       ARG  72  -2.068   6.652   3.161
  454   HH11  ARG  72          HH12      ARG  72  -5.183   5.679   4.376
  455   HH12  ARG  72          HH11      ARG  72  -5.390   7.095   5.351
  456   HH21  ARG  72          HH21      ARG  72  -2.332   8.523   4.442
  457   HH22  ARG  72          HH22      ARG  72  -3.771   8.714   5.388
  458    H    GLN  73           H        GLN  73  -0.075   1.311   3.812
  459    HA   GLN  73           HA       GLN  73  -2.181  -0.238   2.553
  460    HB2  GLN  73           HB3      GLN  73  -0.755  -2.308   2.560
  461    HG2  GLN  73           HG3      GLN  73   1.363  -0.291   3.149
  462   HE21  GLN  73          HE22      GLN  73   3.512  -0.727   2.666
  463   HE22  GLN  73          HE21      GLN  73   3.973  -1.770   1.369
  464    H    GLU  74           H        GLU  74  -3.345  -1.389   4.034
  465    HA   GLU  74           HA       GLU  74  -2.349  -1.271   6.802
  466    HB2  GLU  74           HB3      GLU  74  -4.668  -1.418   7.518
  467    HG2  GLU  74           HG3      GLU  74  -5.451  -1.347   4.618
  468    H    TRP  75           H        TRP  75  -3.261  -3.023   8.244
  469    HA   TRP  75           HA       TRP  75  -2.854  -5.629   6.939
  470    HB2  TRP  75           HB3      TRP  75  -1.207  -5.028   8.681
  471    HD1  TRP  75           HD1      TRP  75  -4.124  -7.381   9.746
  472    HE1  TRP  75           HE1      TRP  75  -3.120  -9.708  10.197
  473    HE3  TRP  75           HE3      TRP  75   0.791  -6.343   8.798
  474    HZ2  TRP  75           HZ2      TRP  75  -0.582 -10.940  10.156
  475    HZ3  TRP  75           HZ3      TRP  75   2.445  -8.153   9.025
  476    HH2  TRP  75           HH2      TRP  75   1.770 -10.402   9.694
  477    H    TRP  76           H        TRP  76  -4.432  -7.140   7.014
  478    HA   TRP  76           HA       TRP  76  -6.869  -6.447   8.513
  479    HB2  TRP  76           HB3      TRP  76  -7.248  -6.525   6.121
  480    HD1  TRP  76           HD1      TRP  76  -8.914  -7.464   8.896
  481    HE1  TRP  76           HE1      TRP  76 -11.088  -8.784   8.506
  482    HE3  TRP  76           HE3      TRP  76  -8.060  -9.038   4.108
  483    HZ2  TRP  76           HZ2      TRP  76 -12.285 -10.292   6.440
  484    HZ3  TRP  76           HZ3      TRP  76  -9.770 -10.413   2.996
  485    HH2  TRP  76           HH2      TRP  76 -11.839 -11.026   4.140
  486    H    ALA  77           H        ALA  77  -7.359  -7.652  10.207
  487    HA   ALA  77           HA       ALA  77  -6.515 -10.466  10.241
  488    HB1  ALA  77           HB1      ALA  77  -5.940 -10.269  12.619
  489    HB2  ALA  77           HB2      ALA  77  -4.929  -9.238  11.605
  490    HB3  ALA  77           HB3      ALA  77  -6.249  -8.534  12.541
  491    H    LEU  78           H        LEU  78  -7.943 -11.891  11.129
  492    HA   LEU  78           HA       LEU  78 -10.564 -10.787  11.867
  493    HB2  LEU  78           HB3      LEU  78  -9.833 -13.543  10.878
  494    HG   LEU  78           HG       LEU  78 -11.271 -11.297   9.468
  495   HD11  LEU  78          HD11      LEU  78  -8.985 -10.979   9.147
  496   HD12  LEU  78          HD12      LEU  78  -8.662 -12.713   9.069
  497   HD13  LEU  78          HD13      LEU  78  -9.483 -11.908   7.731
  498   HD21  LEU  78          HD21      LEU  78 -12.463 -13.373   9.097
  499   HD22  LEU  78          HD22      LEU  78 -11.580 -12.917   7.641
  500   HD23  LEU  78          HD23      LEU  78 -10.955 -14.193   8.687
  501    H    ARG  79           H        ARG  79 -11.812 -12.523  13.284
  502    HA   ARG  79           HA       ARG  79 -10.359 -12.646  15.766
  503    HB2  ARG  79           HB3      ARG  79 -13.154 -13.561  15.064
  504    HG2  ARG  79           HG3      ARG  79 -12.880 -11.131  14.880
  505    HD2  ARG  79           HD3      ARG  79 -12.097 -11.288  17.788
  506    HE   ARG  79           HE       ARG  79 -13.154  -9.116  16.322
  507   HH11  ARG  79          HH12      ARG  79 -10.631  -9.915  18.585
  508   HH12  ARG  79          HH11      ARG  79 -10.562  -8.326  19.269
  509   HH21  ARG  79          HH21      ARG  79 -13.073  -7.019  17.214
  510   HH22  ARG  79          HH22      ARG  79 -11.952  -6.679  18.492
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -9.594  -7.131 -15.389
    2    H2   MET   1           H2       MET   1  -8.975  -5.681 -14.776
    3    H3   MET   1           H3       MET   1 -10.159  -5.652 -15.983
    4    HA   MET   1           HA       MET   1 -11.115  -5.111 -13.850
    5    HB2  MET   1           HB3      MET   1 -12.471  -6.308 -15.524
    6    HG2  MET   1           HG3      MET   1 -13.017  -7.323 -12.744
    7    HE1  MET   1           HE1      MET   1 -16.870  -7.859 -13.163
    8    HE2  MET   1           HE2      MET   1 -15.505  -7.870 -12.046
    9    HE3  MET   1           HE3      MET   1 -16.077  -6.347 -12.723
   10    H    ALA   2           H        ALA   2 -10.078  -5.092 -11.933
   11    HA   ALA   2           HA       ALA   2  -9.853  -7.660 -10.524
   12    HB1  ALA   2           HB1      ALA   2  -7.713  -7.017  -9.572
   13    HB2  ALA   2           HB2      ALA   2  -7.620  -7.035 -11.332
   14    HB3  ALA   2           HB3      ALA   2  -7.746  -5.501 -10.472
   15    H    SER   3           H        SER   3 -10.411  -7.621  -8.386
   16    HA   SER   3           HA       SER   3 -10.971  -5.024  -7.147
   17    HB2  SER   3           HB3      SER   3 -13.097  -5.824  -8.101
   18    HG   SER   3           HG       SER   3 -14.275  -5.619  -6.238
   19    H    LEU   4           H        LEU   4 -11.913  -5.679  -4.764
   20    HA   LEU   4           HA       LEU   4  -9.655  -6.772  -3.435
   21    HB2  LEU   4           HB3      LEU   4 -10.978  -6.469  -1.380
   22    HG   LEU   4           HG       LEU   4 -13.216  -5.741  -3.259
   23   HD11  LEU   4          HD11      LEU   4 -13.414  -7.981  -2.616
   24   HD12  LEU   4          HD12      LEU   4 -12.886  -7.647  -0.967
   25   HD13  LEU   4          HD13      LEU   4 -14.475  -7.111  -1.510
   26   HD21  LEU   4          HD21      LEU   4 -12.872  -3.883  -1.707
   27   HD22  LEU   4          HD22      LEU   4 -14.365  -4.750  -1.355
   28   HD23  LEU   4          HD23      LEU   4 -12.941  -5.005  -0.348
   29    H    MET   5           H        MET   5 -12.356  -8.247  -4.861
   30    HA   MET   5           HA       MET   5 -13.013 -10.349  -3.225
   31    HB2  MET   5           HB3      MET   5 -12.669 -10.357  -6.227
   32    HG2  MET   5           HG3      MET   5 -14.340  -8.749  -5.409
   33    HE1  MET   5           HE1      MET   5 -16.559 -12.328  -3.528
   34    HE2  MET   5           HE2      MET   5 -16.397 -12.102  -5.270
   35    HE3  MET   5           HE3      MET   5 -14.972 -12.450  -4.289
   36    H    GLU   6           H        GLU   6 -10.286 -10.166  -5.490
   37    HA   GLU   6           HA       GLU   6  -9.299 -12.759  -5.048
   38    HB2  GLU   6           HB3      GLU   6  -7.807 -10.257  -5.840
   39    HG2  GLU   6           HG3      GLU   6  -9.019 -12.410  -7.559
   40    H    VAL   7           H        VAL   7  -7.931  -9.692  -3.825
   41    HA   VAL   7           HA       VAL   7  -6.188 -10.834  -1.982
   42    HB   VAL   7           HB       VAL   7  -7.565  -8.146  -1.814
   43   HG11  VAL   7          HG11      VAL   7  -5.654  -7.510  -0.381
   44   HG12  VAL   7          HG12      VAL   7  -6.670  -8.754   0.347
   45   HG13  VAL   7          HG13      VAL   7  -5.125  -9.190  -0.381
   46   HG21  VAL   7          HG21      VAL   7  -5.230  -7.429  -2.658
   47   HG22  VAL   7          HG22      VAL   7  -5.072  -9.109  -3.169
   48   HG23  VAL   7          HG23      VAL   7  -6.376  -8.110  -3.814
   49    H    ARG   8           H        ARG   8  -9.606 -10.267  -1.818
   50    HA   ARG   8           HA       ARG   8  -9.979 -10.382   0.960
   51    HB2  ARG   8           HB3      ARG   8 -11.780  -9.647  -0.434
   52    HG2  ARG   8           HG3      ARG   8 -12.603 -12.358   0.585
   53    HD2  ARG   8           HD3      ARG   8 -14.148  -9.810   0.123
   54    HE   ARG   8           HE       ARG   8 -14.782 -11.892   1.871
   55   HH11  ARG   8          HH12      ARG   8 -16.209 -10.155  -0.791
   56   HH12  ARG   8          HH11      ARG   8 -17.834 -10.375  -0.232
   57   HH21  ARG   8          HH21      ARG   8 -16.916 -12.188   2.616
   58   HH22  ARG   8          HH22      ARG   8 -18.236 -11.533   1.707
   59    H    ASP   9           H        ASP   9 -10.068 -12.958  -1.497
   60    HA   ASP   9           HA       ASP   9 -10.555 -15.073   0.293
   61    HB2  ASP   9           HB3      ASP   9  -9.168 -15.077  -2.397
   62    H    MET  10           H        MET  10  -7.566 -13.626  -0.914
   63    HA   MET  10           HA       MET  10  -5.688 -15.393   0.066
   64    HB2  MET  10           HB3      MET  10  -5.472 -12.376   0.076
   65    HG2  MET  10           HG3      MET  10  -6.068 -13.172  -2.148
   66    HE1  MET  10           HE1      MET  10  -5.398 -14.280  -4.533
   67    HE2  MET  10           HE2      MET  10  -3.743 -13.703  -4.340
   68    HE3  MET  10           HE3      MET  10  -4.048 -15.399  -4.724
   69    H    LEU  11           H        LEU  11  -6.836 -12.462   1.738
   70    HA   LEU  11           HA       LEU  11  -5.642 -13.179   4.217
   71    HB2  LEU  11           HB3      LEU  11  -7.673 -11.118   3.408
   72    HG   LEU  11           HG       LEU  11  -5.989  -9.486   4.038
   73   HD11  LEU  11          HD11      LEU  11  -3.724 -10.183   4.650
   74   HD12  LEU  11          HD12      LEU  11  -4.917 -10.714   5.836
   75   HD13  LEU  11          HD13      LEU  11  -4.254 -11.866   4.674
   76   HD21  LEU  11          HD21      LEU  11  -4.351  -9.916   2.280
   77   HD22  LEU  11          HD22      LEU  11  -4.864 -11.601   2.203
   78   HD23  LEU  11          HD23      LEU  11  -5.981 -10.317   1.740
   79    H    ALA  12           H        ALA  12  -8.820 -13.621   2.798
   80    HA   ALA  12           HA       ALA  12 -10.341 -14.283   4.994
   81    HB1  ALA  12           HB1      ALA  12 -11.717 -15.626   3.495
   82    HB2  ALA  12           HB2      ALA  12 -11.248 -14.107   2.733
   83    HB3  ALA  12           HB3      ALA  12 -10.431 -15.604   2.286
   84    H    LEU  13           H        LEU  13  -7.931 -16.195   3.330
   85    HA   LEU  13           HA       LEU  13  -8.490 -18.557   4.919
   86    HB2  LEU  13           HB3      LEU  13  -6.273 -18.009   2.944
   87    HG   LEU  13           HG       LEU  13  -8.722 -18.092   2.054
   88   HD11  LEU  13          HD11      LEU  13  -6.558 -19.866   0.933
   89   HD12  LEU  13          HD12      LEU  13  -7.955 -19.252   0.046
   90   HD13  LEU  13          HD13      LEU  13  -6.735 -18.133   0.653
   91   HD21  LEU  13          HD21      LEU  13  -9.537 -20.344   1.626
   92   HD22  LEU  13          HD22      LEU  13  -8.172 -21.022   2.514
   93   HD23  LEU  13          HD23      LEU  13  -9.384 -20.059   3.360
   94    H    GLN  14           H        GLN  14  -6.114 -15.984   4.695
   95    HA   GLN  14           HA       GLN  14  -4.695 -17.075   7.022
   96    HB2  GLN  14           HB3      GLN  14  -3.872 -15.002   4.987
   97    HG2  GLN  14           HG3      GLN  14  -3.709 -17.374   4.272
   98   HE21  GLN  14          HE22      GLN  14  -2.748 -19.384   4.451
   99   HE22  GLN  14          HE21      GLN  14  -2.048 -19.948   5.925
  100    H    GLY  15           H        GLY  15  -5.553 -16.341   8.858
  101    HA2  GLY  15           HA2      GLY  15  -7.139 -14.148   9.282
  102    HA3  GLY  15           HA3      GLY  15  -6.104 -14.847  10.517
  103    H    ARG  16           H        ARG  16  -4.111 -13.898  10.976
  104    HA   ARG  16           HA       ARG  16  -4.010 -11.080  10.528
  105    HB2  ARG  16           HB3      ARG  16  -2.106 -12.989  11.883
  106    HG2  ARG  16           HG3      ARG  16  -2.795 -11.890  13.934
  107    HD2  ARG  16           HD3      ARG  16  -5.251 -12.733  12.415
  108    HE   ARG  16           HE       ARG  16  -4.904 -12.166  15.115
  109   HH11  ARG  16          HH12      ARG  16  -6.086 -14.759  13.114
  110   HH12  ARG  16          HH11      ARG  16  -7.218 -15.330  14.294
  111   HH21  ARG  16          HH21      ARG  16  -6.388 -12.909  16.680
  112   HH22  ARG  16          HH22      ARG  16  -7.391 -14.276  16.324
  113    H    MET  17           H        MET  17  -3.506 -10.374   8.546
  114    HA   MET  17           HA       MET  17  -0.842 -10.707   7.577
  115    HB2  MET  17           HB3      MET  17  -3.088 -12.164   6.231
  116    HG2  MET  17           HG3      MET  17  -0.231 -12.773   6.875
  117    HE1  MET  17           HE1      MET  17   0.800 -12.802   4.452
  118    HE2  MET  17           HE2      MET  17   0.077 -13.646   3.083
  119    HE3  MET  17           HE3      MET  17  -0.732 -12.241   3.780
  120    H    GLU  18           H        GLU  18  -0.384  -9.354   5.728
  121    HA   GLU  18           HA       GLU  18  -2.325  -7.156   5.480
  122    HB2  GLU  18           HB3      GLU  18   0.658  -7.112   4.986
  123    HG2  GLU  18           HG3      GLU  18  -0.894  -5.919   7.272
  124    H    ALA  19           H        ALA  19  -2.447  -6.067   3.392
  125    HA   ALA  19           HA       ALA  19  -2.561  -7.992   1.243
  126    HB1  ALA  19           HB1      ALA  19  -3.618  -6.147  -0.021
  127    HB2  ALA  19           HB2      ALA  19  -4.410  -6.472   1.521
  128    HB3  ALA  19           HB3      ALA  19  -3.338  -5.083   1.356
  129    H    LYS  20           H        LYS  20  -0.380  -5.556   2.311
  130    HA   LYS  20           HA       LYS  20   0.795  -4.773  -0.105
  131    HB2  LYS  20           HB3      LYS  20   2.679  -4.040   1.212
  132    HG2  LYS  20           HG3      LYS  20   1.568  -5.759   3.419
  133    HD2  LYS  20           HD3      LYS  20   3.776  -3.704   3.439
  134    HE2  LYS  20           HE3      LYS  20   4.051  -4.384   5.817
  135    HZ1  LYS  20           HZ1      LYS  20   4.570  -6.554   3.856
  136    HZ2  LYS  20           HZ2      LYS  20   5.318  -6.381   5.362
  137    HZ3  LYS  20           HZ3      LYS  20   5.585  -5.234   4.149
  138    H    GLN  21           H        GLN  21   1.616  -7.439   2.092
  139    HA   GLN  21           HA       GLN  21   3.883  -8.404   0.860
  140    HB2  GLN  21           HB3      GLN  21   1.656  -9.980   2.167
  141    HG2  GLN  21           HG3      GLN  21   2.717  -8.315   3.648
  142   HE21  GLN  21          HE22      GLN  21   5.057 -10.856   3.966
  143   HE22  GLN  21          HE21      GLN  21   6.459  -9.875   3.729
  144    H    LEU  22           H        LEU  22   0.540  -9.474   0.231
  145    HA   LEU  22           HA       LEU  22   1.285 -11.073  -2.007
  146    HB2  LEU  22           HB3      LEU  22  -1.141 -11.286  -2.376
  147    HG   LEU  22           HG       LEU  22  -1.304  -9.084  -0.375
  148   HD11  LEU  22          HD11      LEU  22  -3.222  -8.448  -1.726
  149   HD12  LEU  22          HD12      LEU  22  -1.799  -8.683  -2.738
  150   HD13  LEU  22          HD13      LEU  22  -3.054  -9.920  -2.681
  151   HD21  LEU  22          HD21      LEU  22  -2.277 -11.068   0.751
  152   HD22  LEU  22          HD22      LEU  22  -3.457  -9.801   0.416
  153   HD23  LEU  22          HD23      LEU  22  -3.397 -11.241  -0.600
  154    H    SER  23           H        SER  23   0.304  -7.755  -1.592
  155    HA   SER  23           HA       SER  23  -0.311  -7.296  -4.353
  156    HB2  SER  23           HB3      SER  23   0.255  -5.368  -2.089
  157    HG   SER  23           HG       SER  23  -1.701  -6.700  -2.027
  158    H    ALA  24           H        ALA  24   2.546  -7.159  -2.375
  159    HA   ALA  24           HA       ALA  24   4.106  -5.649  -4.259
  160    HB1  ALA  24           HB1      ALA  24   5.002  -7.281  -1.887
  161    HB2  ALA  24           HB2      ALA  24   5.979  -6.115  -2.777
  162    HB3  ALA  24           HB3      ALA  24   4.577  -5.571  -1.854
  163    H    ARG  25           H        ARG  25   3.729  -9.053  -3.396
  164    HA   ARG  25           HA       ARG  25   5.790  -9.968  -5.154
  165    HB2  ARG  25           HB3      ARG  25   5.142 -11.243  -3.167
  166    HG2  ARG  25           HG3      ARG  25   4.490 -12.754  -5.690
  167    HD2  ARG  25           HD3      ARG  25   5.364 -13.712  -2.967
  168    HE   ARG  25           HE       ARG  25   5.781 -14.983  -5.394
  169   HH11  ARG  25          HH12      ARG  25   4.165 -15.640  -2.381
  170   HH12  ARG  25          HH11      ARG  25   4.397 -17.352  -2.479
  171   HH21  ARG  25          HH21      ARG  25   6.092 -17.238  -5.536
  172   HH22  ARG  25          HH22      ARG  25   5.493 -18.263  -4.275
  173    H    LEU  26           H        LEU  26   2.621  -8.890  -5.685
  174    HA   LEU  26           HA       LEU  26   2.521 -10.318  -8.259
  175    HB2  LEU  26           HB3      LEU  26   0.195  -9.222  -6.681
  176    HG   LEU  26           HG       LEU  26   1.103 -11.233  -5.568
  177   HD11  LEU  26          HD11      LEU  26  -1.498 -11.689  -7.025
  178   HD12  LEU  26          HD12      LEU  26  -0.971 -12.513  -5.556
  179   HD13  LEU  26          HD13      LEU  26  -1.295 -10.781  -5.528
  180   HD21  LEU  26          HD21      LEU  26   2.159 -12.268  -7.512
  181   HD22  LEU  26          HD22      LEU  26   1.042 -13.383  -6.725
  182   HD23  LEU  26          HD23      LEU  26   0.572 -12.572  -8.219
  183    H    GLN  27           H        GLN  27   3.493  -7.491  -7.166
  184    HA   GLN  27           HA       GLN  27   3.580  -5.350  -7.936
  185    HB2  GLN  27           HB3      GLN  27   2.892  -6.716 -10.546
  186    HG2  GLN  27           HG3      GLN  27   5.590  -5.985  -9.436
  187   HE21  GLN  27          HE22      GLN  27   6.584  -8.344 -10.833
  188   HE22  GLN  27          HE21      GLN  27   6.703  -7.899 -12.498
  189    H    THR  28           H        THR  28   1.880  -4.390  -6.879
  190    HA   THR  28           HA       THR  28  -0.419  -3.747  -8.542
  191    HB   THR  28           HB       THR  28  -0.754  -4.911  -5.769
  192    HG1  THR  28           HG1      THR  28  -0.396  -6.509  -7.365
  193   HG21  THR  28          HG21      THR  28  -2.856  -3.997  -7.735
  194   HG22  THR  28          HG22      THR  28  -2.344  -3.084  -6.316
  195   HG23  THR  28          HG23      THR  28  -3.131  -4.649  -6.121
  196    HA   PRO  29           HA       PRO  29   0.254   0.339  -7.000
  197    HB2  PRO  29           HB3      PRO  29  -2.733   0.411  -6.892
  198    HG2  PRO  29           HG3      PRO  29  -2.961  -0.112  -9.153
  199    HD2  PRO  29           HD3      PRO  29  -2.446  -2.195  -8.315
  200    H    GLN  30           H        GLN  30   0.939   0.571  -4.970
  201    HA   GLN  30           HA       GLN  30  -0.132  -0.711  -2.728
  202    HB2  GLN  30           HB3      GLN  30   1.567   1.786  -2.839
  203    HG2  GLN  30           HG3      GLN  30   2.371  -1.091  -2.481
  204   HE21  GLN  30          HE22      GLN  30   3.558  -0.719  -0.620
  205   HE22  GLN  30          HE21      GLN  30   5.006   0.223  -0.621
  206    HA   PRO  31           HA       PRO  31  -2.122   3.814  -1.880
  207    HB2  PRO  31           HB3      PRO  31  -3.093   3.947  -4.705
  208    HG2  PRO  31           HG3      PRO  31  -1.009   4.564  -5.531
  209    HD2  PRO  31           HD3      PRO  31  -0.546   2.349  -5.170
  210    H    LEU  32           H        LEU  32  -3.532   1.862  -4.514
  211    HA   LEU  32           HA       LEU  32  -6.161   1.873  -3.642
  212    HB2  LEU  32           HB3      LEU  32  -5.201   0.998  -5.833
  213    HG   LEU  32           HG       LEU  32  -6.924  -0.636  -6.273
  214   HD11  LEU  32          HD11      LEU  32  -6.497  -1.753  -3.956
  215   HD12  LEU  32          HD12      LEU  32  -7.771  -0.661  -3.414
  216   HD13  LEU  32          HD13      LEU  32  -8.097  -1.827  -4.694
  217   HD21  LEU  32          HD21      LEU  32  -7.582   1.720  -6.107
  218   HD22  LEU  32          HD22      LEU  32  -8.884   0.639  -5.616
  219   HD23  LEU  32          HD23      LEU  32  -7.941   1.493  -4.395
  220    H    ILE  33           H        ILE  33  -3.528  -0.331  -2.783
  221    HA   ILE  33           HA       ILE  33  -4.850  -2.282  -1.391
  222    HB   ILE  33           HB       ILE  33  -2.263  -1.014  -0.486
  223   HG12  ILE  33          HG13      ILE  33  -2.058  -1.601  -2.820
  224   HG21  ILE  33          HG21      ILE  33  -3.247  -2.515   1.158
  225   HG22  ILE  33          HG22      ILE  33  -3.392  -3.777  -0.066
  226   HG23  ILE  33          HG23      ILE  33  -1.797  -3.231   0.452
  227   HD11  ILE  33          HD11      ILE  33  -3.930  -3.110  -3.097
  228   HD12  ILE  33          HD12      ILE  33  -2.435  -3.867  -3.644
  229   HD13  ILE  33          HD13      ILE  33  -3.130  -4.313  -2.087
  230    H    ASP  34           H        ASP  34  -3.756   0.848  -0.090
  231    HA   ASP  34           HA       ASP  34  -4.569   0.548   2.535
  232    HB2  ASP  34           HB3      ASP  34  -3.275   2.469   1.839
  233    H    ALA  35           H        ALA  35  -6.443   1.589  -0.269
  234    HA   ALA  35           HA       ALA  35  -8.850   2.010   1.244
  235    HB1  ALA  35           HB1      ALA  35  -9.894   2.435  -0.907
  236    HB2  ALA  35           HB2      ALA  35  -8.360   3.299  -0.787
  237    HB3  ALA  35           HB3      ALA  35  -8.465   1.818  -1.739
  238    H    MET  36           H        MET  36  -7.374  -0.637  -0.441
  239    HA   MET  36           HA       MET  36  -9.655  -2.191  -0.970
  240    HB2  MET  36           HB3      MET  36  -7.457  -2.698  -1.931
  241    HG2  MET  36           HG3      MET  36  -8.408  -4.961  -0.190
  242    HE1  MET  36           HE1      MET  36  -6.404  -3.700  -3.318
  243    HE2  MET  36           HE2      MET  36  -5.944  -5.221  -4.082
  244    HE3  MET  36           HE3      MET  36  -7.638  -4.733  -4.040
  245    H    LEU  37           H        LEU  37  -7.415  -2.277   1.787
  246    HA   LEU  37           HA       LEU  37  -8.996  -4.155   3.249
  247    HB2  LEU  37           HB3      LEU  37  -6.797  -2.324   4.214
  248    HG   LEU  37           HG       LEU  37  -5.919  -3.807   2.478
  249   HD11  LEU  37          HD11      LEU  37  -5.166  -4.536   5.299
  250   HD12  LEU  37          HD12      LEU  37  -4.242  -5.012   3.874
  251   HD13  LEU  37          HD13      LEU  37  -4.430  -3.305   4.273
  252   HD21  LEU  37          HD21      LEU  37  -5.972  -6.253   2.837
  253   HD22  LEU  37          HD22      LEU  37  -7.096  -6.005   4.171
  254   HD23  LEU  37          HD23      LEU  37  -7.566  -5.562   2.531
  255    H    GLU  38           H        GLU  38  -8.376  -0.668   3.560
  256    HA   GLU  38           HA       GLU  38  -9.961  -0.130   5.763
  257    HB2  GLU  38           HB3      GLU  38  -8.438   1.498   4.701
  258    HG2  GLU  38           HG3      GLU  38  -9.789   3.506   4.863
  259    H    ARG  39           H        ARG  39 -10.891  -0.277   2.344
  260    HA   ARG  39           HA       ARG  39 -13.589   0.485   2.754
  261    HB2  ARG  39           HB3      ARG  39 -12.538   0.665   0.564
  262    HG2  ARG  39           HG3      ARG  39 -14.757  -1.372   0.503
  263    HD2  ARG  39           HD3      ARG  39 -13.784   0.550  -1.609
  264    HE   ARG  39           HE       ARG  39 -16.319  -0.530  -1.368
  265   HH11  ARG  39          HH12      ARG  39 -13.730  -0.565  -3.698
  266   HH12  ARG  39          HH11      ARG  39 -14.785  -0.746  -5.059
  267   HH21  ARG  39          HH21      ARG  39 -17.715  -0.771  -3.152
  268   HH22  ARG  39          HH22      ARG  39 -17.052  -0.865  -4.749
  269    H    MET  40           H        MET  40 -12.041  -2.696   2.350
  270    HA   MET  40           HA       MET  40 -14.322  -4.277   2.474
  271    HB2  MET  40           HB3      MET  40 -12.026  -5.078   1.920
  272    HG2  MET  40           HG3      MET  40 -12.116  -7.240   3.059
  273    HE1  MET  40           HE1      MET  40 -14.929  -8.652   3.532
  274    HE2  MET  40           HE2      MET  40 -15.368  -9.086   1.881
  275    HE3  MET  40           HE3      MET  40 -13.704  -9.282   2.432
  276    H    GLU  41           H        GLU  41 -12.245  -3.134   5.115
  277    HA   GLU  41           HA       GLU  41 -13.867  -4.312   7.167
  278    HB2  GLU  41           HB3      GLU  41 -11.435  -3.915   7.428
  279    HG2  GLU  41           HG3      GLU  41 -13.007  -3.950   9.432
  280    H    ALA  42           H        ALA  42 -13.919  -1.361   5.381
  281    HA   ALA  42           HA       ALA  42 -15.068   0.449   7.104
  282    HB1  ALA  42           HB1      ALA  42 -14.396   0.944   4.781
  283    HB2  ALA  42           HB2      ALA  42 -15.816   0.071   4.206
  284    HB3  ALA  42           HB3      ALA  42 -16.010   1.541   5.163
  285    H    MET  43           H        MET  43 -16.451  -2.426   5.767
  286    HA   MET  43           HA       MET  43 -19.172  -1.673   6.404
  287    HB2  MET  43           HB3      MET  43 -18.038  -4.336   5.525
  288    HG2  MET  43           HG3      MET  43 -17.748  -2.649   3.792
  289    HE1  MET  43           HE1      MET  43 -19.698  -2.187   1.402
  290    HE2  MET  43           HE2      MET  43 -20.279  -0.544   1.676
  291    HE3  MET  43           HE3      MET  43 -18.577  -0.931   1.928
  292    H    GLY  44           H        GLY  44 -16.535  -3.388   7.866
  293    HA2  GLY  44           HA2      GLY  44 -16.563  -3.524  10.308
  294    HA3  GLY  44           HA3      GLY  44 -18.265  -3.958  10.194
  295    H    LYS  45           H        LYS  45 -15.207  -5.114   8.745
  296    HA   LYS  45           HA       LYS  45 -16.094  -7.808   8.637
  297    HB2  LYS  45           HB3      LYS  45 -13.330  -6.609   8.412
  298    HG2  LYS  45           HG3      LYS  45 -14.731  -5.962   6.568
  299    HD2  LYS  45           HD3      LYS  45 -16.454  -7.670   6.725
  300    HE2  LYS  45           HE3      LYS  45 -14.348  -9.552   5.666
  301    HZ1  LYS  45           HZ1      LYS  45 -16.538 -10.019   4.772
  302    HZ2  LYS  45           HZ2      LYS  45 -17.205 -10.032   6.328
  303    HZ3  LYS  45           HZ3      LYS  45 -16.086 -11.218   5.874
  304    H    VAL  46           H        VAL  46 -13.125  -6.861  10.328
  305    HA   VAL  46           HA       VAL  46 -14.112  -7.895  12.846
  306    HB   VAL  46           HB       VAL  46 -11.663  -9.231  11.724
  307   HG11  VAL  46          HG11      VAL  46 -11.941  -9.295  14.134
  308   HG12  VAL  46          HG12      VAL  46 -13.571  -9.941  13.946
  309   HG13  VAL  46          HG13      VAL  46 -12.179 -10.902  13.446
  310   HG21  VAL  46          HG21      VAL  46 -13.479  -9.757  10.199
  311   HG22  VAL  46          HG22      VAL  46 -13.071 -11.169  11.175
  312   HG23  VAL  46          HG23      VAL  46 -14.507 -10.219  11.555
  313    H    VAL  47           H        VAL  47 -10.849  -7.506  11.428
  314    HA   VAL  47           HA       VAL  47 -10.409  -5.179  13.136
  315    HB   VAL  47           HB       VAL  47  -8.585  -7.590  13.199
  316   HG11  VAL  47          HG11      VAL  47  -8.380  -4.915  14.579
  317   HG12  VAL  47          HG12      VAL  47  -7.347  -6.306  14.907
  318   HG13  VAL  47          HG13      VAL  47  -7.313  -5.537  13.321
  319   HG21  VAL  47          HG21      VAL  47 -10.337  -6.407  15.354
  320   HG22  VAL  47          HG22      VAL  47 -10.624  -7.924  14.503
  321   HG23  VAL  47          HG23      VAL  47  -9.219  -7.756  15.555
  322    H    ARG  48           H        ARG  48  -9.281  -3.649  12.116
  323    HA   ARG  48           HA       ARG  48  -7.488  -4.405   9.923
  324    HB2  ARG  48           HB3      ARG  48  -9.675  -3.795   8.945
  325    HG2  ARG  48           HG3      ARG  48  -7.398  -3.072   7.894
  326    HD2  ARG  48           HD3      ARG  48  -7.002  -1.035   9.063
  327    HE   ARG  48           HE       ARG  48  -9.803  -0.479   8.671
  328   HH11  ARG  48          HH12      ARG  48  -6.672   0.857   9.395
  329   HH12  ARG  48          HH11      ARG  48  -7.308   2.257  10.193
  330   HH21  ARG  48          HH21      ARG  48 -10.655   1.361   9.715
  331   HH22  ARG  48          HH22      ARG  48  -9.575   2.545  10.374
  332    H    ILE  49           H        ILE  49  -5.555  -3.532  10.251
  333    HA   ILE  49           HA       ILE  49  -5.390  -1.013  11.775
  334    HB   ILE  49           HB       ILE  49  -3.274  -3.161  11.611
  335   HG12  ILE  49          HG13      ILE  49  -5.209  -3.987  12.849
  336   HG21  ILE  49          HG21      ILE  49  -2.379  -0.931  11.980
  337   HG22  ILE  49          HG22      ILE  49  -3.486  -0.695  13.332
  338   HG23  ILE  49          HG23      ILE  49  -2.215  -1.914  13.435
  339   HD11  ILE  49          HD11      ILE  49  -6.248  -1.877  13.489
  340   HD12  ILE  49          HD12      ILE  49  -5.991  -2.932  14.880
  341   HD13  ILE  49          HD13      ILE  49  -4.916  -1.561  14.601
  342    H    SER  50           H        SER  50  -4.837   0.655  10.541
  343    HA   SER  50           HA       SER  50  -3.650   0.320   7.954
  344    HB2  SER  50           HB3      SER  50  -3.735   2.779   7.839
  345    HG   SER  50           HG       SER  50  -3.849   3.934   9.584
  346    H    GLU  51           H        GLU  51  -1.561   0.208   7.479
  347    HA   GLU  51           HA       GLU  51   0.376   1.331   9.395
  348    HB2  GLU  51           HB3      GLU  51   0.424  -1.086   9.564
  349    HG2  GLU  51           HG3      GLU  51   2.773  -0.167   7.924
  350    H    THR  52           H        THR  52   1.809   2.720   8.576
  351    HA   THR  52           HA       THR  52   1.982   2.951   5.644
  352    HB   THR  52           HB       THR  52   1.035   4.942   6.725
  353    HG1  THR  52           HG1      THR  52   2.122   5.593   4.975
  354   HG21  THR  52          HG21      THR  52   3.689   5.107   8.161
  355   HG22  THR  52          HG22      THR  52   2.135   4.726   8.906
  356   HG23  THR  52          HG23      THR  52   2.410   6.321   8.207
  357    H    SER  53           H        SER  53   4.096   3.904   4.875
  358    HA   SER  53           HA       SER  53   6.249   2.316   5.967
  359    HB2  SER  53           HB3      SER  53   5.962   2.469   3.535
  360    HG   SER  53           HG       SER  53   8.136   2.395   4.580
  361    H    GLU  54           H        GLU  54   7.568   3.011   7.505
  362    HA   GLU  54           HA       GLU  54   7.939   5.913   7.836
  363    HB2  GLU  54           HB3      GLU  54   8.481   5.450  10.173
  364    HG2  GLU  54           HG3      GLU  54   7.831   2.575   9.565
  365    H    GLY  55           H        GLY  55   9.616   2.792   7.867
  366    HA2  GLY  55           HA2      GLY  55  11.746   2.723   6.632
  367    HA3  GLY  55           HA3      GLY  55  12.131   4.266   7.380
  368    H    CYS  56           H        CYS  56  12.662   4.322   9.614
  369    HA   CYS  56           HA       CYS  56  13.190   1.720  10.864
  370    HB2  CYS  56           HB3      CYS  56  15.196   3.971  10.619
  371    HG   CYS  56           HG       CYS  56  16.279   2.984   8.523
  372    H    LEU  57           H        LEU  57  13.952   2.090  13.215
  373    HA   LEU  57           HA       LEU  57  12.191   4.132  14.390
  374    HB2  LEU  57           HB3      LEU  57  13.211   1.526  15.512
  375    HG   LEU  57           HG       LEU  57  10.830   0.931  15.741
  376   HD11  LEU  57          HD11      LEU  57   9.137   2.227  14.538
  377   HD12  LEU  57          HD12      LEU  57   9.890   3.170  15.825
  378   HD13  LEU  57          HD13      LEU  57  10.351   3.444  14.146
  379   HD21  LEU  57          HD21      LEU  57  12.204   0.268  13.756
  380   HD22  LEU  57          HD22      LEU  57  10.465   0.318  13.467
  381   HD23  LEU  57          HD23      LEU  57  11.493   1.628  12.886
  382    H    SER  58           H        SER  58  15.103   4.323  13.477
  383    HA   SER  58           HA       SER  58  16.402   4.944  16.022
  384    HB2  SER  58           HB3      SER  58  17.700   3.632  14.408
  385    HG   SER  58           HG       SER  58  18.790   5.217  15.721
  386    H    GLY  59           H        GLY  59  14.931   6.464  13.286
  387    HA2  GLY  59           HA2      GLY  59  16.158   9.006  13.474
  388    HA3  GLY  59           HA3      GLY  59  14.608   8.667  12.718
  389    H    SER  60           H        SER  60  12.747   9.156  13.778
  390    HA   SER  60           HA       SER  60  12.927  10.015  16.575
  391    HB2  SER  60           HB3      SER  60  11.632  12.037  16.110
  392    HG   SER  60           HG       SER  60  12.003  11.667  13.353
  393    H    CYS  61           H        CYS  61  10.717   9.486  13.837
  394    HA   CYS  61           HA       CYS  61   9.175   7.533  15.101
  395    HB2  CYS  61           HB3      CYS  61   8.472   9.337  16.604
  396    HG   CYS  61           HG       CYS  61   6.453   7.394  15.083
  397    H    LYS  62           H        LYS  62   8.839  10.363  12.972
  398    HA   LYS  62           HA       LYS  62   7.905   8.561  10.852
  399    HB2  LYS  62           HB3      LYS  62   5.916   9.618  11.808
  400    HG2  LYS  62           HG3      LYS  62   6.540  10.966   9.190
  401    HD2  LYS  62           HD3      LYS  62   4.151  10.844   8.827
  402    HE2  LYS  62           HE3      LYS  62   4.791  11.995  11.541
  403    HZ1  LYS  62           HZ1      LYS  62   2.411  11.852  11.130
  404    HZ2  LYS  62           HZ2      LYS  62   2.594  12.663   9.656
  405    HZ3  LYS  62           HZ3      LYS  62   2.932  13.462  11.109
  406    H    SER  63           H        SER  63   8.527  12.044  11.306
  407    HA   SER  63           HA       SER  63   9.638  13.547   9.997
  408    HB2  SER  63           HB3      SER  63  11.476  12.471  11.228
  409    HG   SER  63           HG       SER  63  12.609  12.721   8.715
  410    H    CYS  64           H        CYS  64   8.464  13.833   8.152
  411    HA   CYS  64           HA       CYS  64   9.224  12.166   5.847
  412    HB2  CYS  64           HB3      CYS  64   6.877  11.842   6.445
  413    HG   CYS  64           HG       CYS  64   5.483  13.006   4.059
  414    HA   PRO  65           HA       PRO  65  10.841  15.969   4.196
  415    HB2  PRO  65           HB3      PRO  65  11.248  15.152   1.642
  416    HG2  PRO  65           HG3      PRO  65  10.091  13.149   1.655
  417    HD2  PRO  65           HD3      PRO  65   9.367  12.194   3.613
  418    H    GLU  66           H        GLU  66   8.536  14.234   2.094
  419    HA   GLU  66           HA       GLU  66   6.992  16.700   1.819
  420    HB2  GLU  66           HB3      GLU  66   8.012  15.074  -0.516
  421    HG2  GLU  66           HG3      GLU  66   9.630  16.723   0.332
  422    H    GLY  67           H        GLY  67   7.178  13.295   0.775
  423    HA2  GLY  67           HA2      GLY  67   5.586  11.645   1.399
  424    HA3  GLY  67           HA3      GLY  67   4.429  12.925   1.728
  425    H    LYS  68           H        LYS  68   6.412  12.169  -1.123
  426    HA   LYS  68           HA       LYS  68   4.491  12.892  -3.004
  427    HB2  LYS  68           HB3      LYS  68   6.838  12.636  -3.583
  428    HG2  LYS  68           HG3      LYS  68   5.175  10.637  -5.100
  429    HD2  LYS  68           HD3      LYS  68   7.577  10.396  -5.533
  430    HE2  LYS  68           HE3      LYS  68   7.441  13.300  -6.335
  431    HZ1  LYS  68           HZ1      LYS  68   9.731  11.408  -6.385
  432    HZ2  LYS  68           HZ2      LYS  68   9.791  13.053  -6.777
  433    HZ3  LYS  68           HZ3      LYS  68   8.909  11.983  -7.747
  434    H    ALA  69           H        ALA  69   2.582  12.030  -3.429
  435    HA   ALA  69           HA       ALA  69   0.885  10.542  -3.710
  436    HB1  ALA  69           HB1      ALA  69   1.434   8.334  -4.562
  437    HB2  ALA  69           HB2      ALA  69   2.429   9.565  -5.341
  438    HB3  ALA  69           HB3      ALA  69   3.115   8.547  -4.075
  439    H    ALA  70           H        ALA  70   0.165   8.181  -2.929
  440    HA   ALA  70           HA       ALA  70   0.959   7.852  -0.118
  441    HB1  ALA  70           HB1      ALA  70  -1.088   9.152  -0.118
  442    HB2  ALA  70           HB2      ALA  70  -1.876   7.952  -1.143
  443    HB3  ALA  70           HB3      ALA  70  -1.401   7.531   0.503
  444    H    CYS  71           H        CYS  71   1.895   5.904  -0.115
  445    HA   CYS  71           HA       CYS  71   0.599   3.714  -1.592
  446    HB2  CYS  71           HB3      CYS  71   3.437   3.902  -0.556
  447    HG   CYS  71           HG       CYS  71   3.694   3.561  -3.676
  448    H    ARG  72           H        ARG  72  -0.440   4.567   0.895
  449    HA   ARG  72           HA       ARG  72   0.451   3.255   3.153
  450    HB2  ARG  72           HB3      ARG  72  -2.274   4.090   2.232
  451    HG2  ARG  72           HG3      ARG  72  -0.513   4.933   4.521
  452    HD2  ARG  72           HD3      ARG  72  -2.973   4.905   5.037
  453    HE   ARG  72           HE       ARG  72  -3.382   5.975   2.587
  454   HH11  ARG  72          HH12      ARG  72  -3.942   7.126   5.824
  455   HH12  ARG  72          HH11      ARG  72  -5.314   8.086   5.385
  456   HH21  ARG  72          HH21      ARG  72  -5.191   7.235   1.996
  457   HH22  ARG  72          HH22      ARG  72  -6.029   8.143   3.208
  458    H    GLN  73           H        GLN  73  -0.317   1.369   4.235
  459    HA   GLN  73           HA       GLN  73  -1.558  -0.721   2.633
  460    HB2  GLN  73           HB3      GLN  73   0.270  -2.322   3.344
  461    HG2  GLN  73           HG3      GLN  73   1.673   0.263   3.955
  462   HE21  GLN  73          HE22      GLN  73   3.585  -1.385   5.454
  463   HE22  GLN  73          HE21      GLN  73   4.693  -2.003   4.281
  464    H    GLU  74           H        GLU  74  -3.216  -1.285   3.926
  465    HA   GLU  74           HA       GLU  74  -2.946  -1.076   6.808
  466    HB2  GLU  74           HB3      GLU  74  -5.377  -2.323   5.667
  467    HG2  GLU  74           HG3      GLU  74  -5.036  -0.673   3.966
  468    H    TRP  75           H        TRP  75  -4.028  -2.911   8.095
  469    HA   TRP  75           HA       TRP  75  -3.020  -5.495   7.120
  470    HB2  TRP  75           HB3      TRP  75  -1.566  -4.551   8.899
  471    HD1  TRP  75           HD1      TRP  75  -4.195  -7.290   9.797
  472    HE1  TRP  75           HE1      TRP  75  -2.909  -9.388  10.531
  473    HE3  TRP  75           HE3      TRP  75   0.580  -5.482   9.468
  474    HZ2  TRP  75           HZ2      TRP  75  -0.232 -10.180  10.925
  475    HZ3  TRP  75           HZ3      TRP  75   2.446  -6.978  10.047
  476    HH2  TRP  75           HH2      TRP  75   2.047  -9.279  10.761
  477    H    TRP  76           H        TRP  76  -4.535  -7.040   7.025
  478    HA   TRP  76           HA       TRP  76  -7.078  -6.547   8.406
  479    HB2  TRP  76           HB3      TRP  76  -7.106  -6.864   5.926
  480    HD1  TRP  76           HD1      TRP  76  -9.024  -7.442   8.740
  481    HE1  TRP  76           HE1      TRP  76 -11.288  -8.571   8.270
  482    HE3  TRP  76           HE3      TRP  76  -8.052  -9.297   4.078
  483    HZ2  TRP  76           HZ2      TRP  76 -12.502 -10.053   6.196
  484    HZ3  TRP  76           HZ3      TRP  76  -9.817 -10.558   2.920
  485    HH2  TRP  76           HH2      TRP  76 -11.996 -10.928   3.957
  486    H    ALA  77           H        ALA  77  -7.659  -7.736  10.088
  487    HA   ALA  77           HA       ALA  77  -6.602 -10.447  10.384
  488    HB1  ALA  77           HB1      ALA  77  -6.458  -8.379  12.577
  489    HB2  ALA  77           HB2      ALA  77  -5.987 -10.074  12.707
  490    HB3  ALA  77           HB3      ALA  77  -5.088  -8.987  11.647
  491    H    LEU  78           H        LEU  78  -7.973 -11.862  11.383
  492    HA   LEU  78           HA       LEU  78 -10.587 -10.779  12.206
  493    HB2  LEU  78           HB3      LEU  78  -9.957 -13.468  10.985
  494    HG   LEU  78           HG       LEU  78 -11.438 -11.112   9.823
  495   HD11  LEU  78          HD11      LEU  78  -8.901 -12.551   9.162
  496   HD12  LEU  78          HD12      LEU  78  -9.805 -11.693   7.914
  497   HD13  LEU  78          HD13      LEU  78  -9.194 -10.819   9.319
  498   HD21  LEU  78          HD21      LEU  78 -12.723 -13.121   9.414
  499   HD22  LEU  78          HD22      LEU  78 -11.923 -12.612   7.926
  500   HD23  LEU  78          HD23      LEU  78 -11.277 -13.963   8.857
  501    H    ARG  79           H        ARG  79 -10.448 -10.674  14.383
  502    HA   ARG  79           HA       ARG  79  -9.352 -12.959  15.848
  503    HB2  ARG  79           HB3      ARG  79 -10.220 -10.261  16.900
  504    HG2  ARG  79           HG3      ARG  79  -7.457 -11.264  16.250
  505    HD2  ARG  79           HD3      ARG  79  -8.370  -8.726  17.598
  506    HE   ARG  79           HE       ARG  79  -6.208  -8.844  16.010
  507   HH11  ARG  79          HH12      ARG  79  -6.563  -8.708  19.473
  508   HH12  ARG  79          HH11      ARG  79  -5.072  -7.862  19.722
  509   HH21  ARG  79          HH21      ARG  79  -4.244  -7.731  16.326
  510   HH22  ARG  79          HH22      ARG  79  -3.754  -7.304  17.932
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1 -10.680  -5.170 -13.769
    2    H2   MET   1           H2       MET   1  -9.190  -5.864 -14.167
    3    H3   MET   1           H3       MET   1  -9.596  -4.332 -14.760
    4    HA   MET   1           HA       MET   1  -8.022  -4.144 -12.960
    5    HB2  MET   1           HB3      MET   1  -9.260  -2.549 -11.600
    6    HG2  MET   1           HG3      MET   1 -11.729  -3.758 -12.823
    7    HE1  MET   1           HE1      MET   1 -11.431   0.134 -10.364
    8    HE2  MET   1           HE2      MET   1 -10.944  -1.445  -9.746
    9    HE3  MET   1           HE3      MET   1 -10.034  -0.692 -11.055
   10    H    ALA   2           H        ALA   2  -7.394  -4.596 -10.850
   11    HA   ALA   2           HA       ALA   2  -8.350  -7.075  -9.795
   12    HB1  ALA   2           HB1      ALA   2  -6.402  -5.111  -8.593
   13    HB2  ALA   2           HB2      ALA   2  -6.647  -6.782  -8.084
   14    HB3  ALA   2           HB3      ALA   2  -5.986  -6.435  -9.683
   15    H    SER   3           H        SER   3  -9.258  -7.451  -7.731
   16    HA   SER   3           HA       SER   3 -10.528  -5.125  -6.460
   17    HB2  SER   3           HB3      SER   3 -11.895  -7.745  -7.124
   18    HG   SER   3           HG       SER   3 -11.918  -6.442  -8.910
   19    H    LEU   4           H        LEU   4 -11.741  -6.116  -4.357
   20    HA   LEU   4           HA       LEU   4  -9.573  -7.108  -2.739
   21    HB2  LEU   4           HB3      LEU   4 -11.114  -6.810  -0.859
   22    HG   LEU   4           HG       LEU   4 -13.155  -6.243  -2.987
   23   HD11  LEU   4          HD11      LEU   4 -13.050  -7.898  -0.483
   24   HD12  LEU   4          HD12      LEU   4 -14.569  -7.487  -1.278
   25   HD13  LEU   4          HD13      LEU   4 -13.351  -8.424  -2.138
   26   HD21  LEU   4          HD21      LEU   4 -13.179  -5.209  -0.154
   27   HD22  LEU   4          HD22      LEU   4 -13.044  -4.235  -1.619
   28   HD23  LEU   4          HD23      LEU   4 -14.526  -5.132  -1.290
   29    H    MET   5           H        MET   5 -12.221  -8.482  -4.422
   30    HA   MET   5           HA       MET   5 -12.945 -10.659  -2.899
   31    HB2  MET   5           HB3      MET   5 -12.523 -10.633  -5.894
   32    HG2  MET   5           HG3      MET   5 -14.010  -8.827  -5.264
   33    HE1  MET   5           HE1      MET   5 -15.145 -12.301  -3.844
   34    HE2  MET   5           HE2      MET   5 -16.668 -11.887  -3.057
   35    HE3  MET   5           HE3      MET   5 -16.535 -11.814  -4.815
   36    H    GLU   6           H        GLU   6 -10.169 -10.338  -5.080
   37    HA   GLU   6           HA       GLU   6  -9.183 -12.937  -4.877
   38    HB2  GLU   6           HB3      GLU   6  -7.650 -10.353  -5.214
   39    HG2  GLU   6           HG3      GLU   6  -8.634 -12.293  -7.296
   40    H    VAL   7           H        VAL   7  -8.132 -10.053  -3.061
   41    HA   VAL   7           HA       VAL   7  -6.432 -11.386  -1.284
   42    HB   VAL   7           HB       VAL   7  -8.020  -8.877  -0.718
   43   HG11  VAL   7          HG11      VAL   7  -5.487  -9.975   0.494
   44   HG12  VAL   7          HG12      VAL   7  -6.126  -8.358   0.794
   45   HG13  VAL   7          HG13      VAL   7  -7.048  -9.777   1.289
   46   HG21  VAL   7          HG21      VAL   7  -5.397  -9.288  -2.132
   47   HG22  VAL   7          HG22      VAL   7  -6.850  -8.494  -2.740
   48   HG23  VAL   7          HG23      VAL   7  -5.898  -7.735  -1.464
   49    H    ARG   8           H        ARG   8  -9.886 -10.735  -1.158
   50    HA   ARG   8           HA       ARG   8 -10.508 -11.345   1.440
   51    HB2  ARG   8           HB3      ARG   8 -11.917 -11.533  -1.144
   52    HG2  ARG   8           HG3      ARG   8 -12.723 -10.498   1.564
   53    HD2  ARG   8           HD3      ARG   8 -14.089 -10.127  -1.095
   54    HE   ARG   8           HE       ARG   8 -14.367  -8.648   1.214
   55   HH11  ARG   8          HH12      ARG   8 -16.413 -10.597  -0.822
   56   HH12  ARG   8          HH11      ARG   8 -17.849  -9.701  -0.459
   57   HH21  ARG   8          HH21      ARG   8 -16.252  -7.461   1.702
   58   HH22  ARG   8          HH22      ARG   8 -17.758  -7.916   0.977
   59    H    ASP   9           H        ASP   9 -10.598 -13.714  -1.233
   60    HA   ASP   9           HA       ASP   9 -10.932 -15.975   0.358
   61    HB2  ASP   9           HB3      ASP   9 -10.045 -17.252  -1.578
   62    H    MET  10           H        MET  10  -7.943 -14.487  -0.855
   63    HA   MET  10           HA       MET  10  -6.090 -16.296   0.095
   64    HB2  MET  10           HB3      MET  10  -5.867 -13.282  -0.012
   65    HG2  MET  10           HG3      MET  10  -6.352 -14.366  -2.187
   66    HE1  MET  10           HE1      MET  10  -4.153 -14.803  -4.327
   67    HE2  MET  10           HE2      MET  10  -4.046 -16.556  -4.497
   68    HE3  MET  10           HE3      MET  10  -5.624 -15.776  -4.379
   69    H    LEU  11           H        LEU  11  -7.091 -13.319   1.794
   70    HA   LEU  11           HA       LEU  11  -5.834 -13.887   4.216
   71    HB2  LEU  11           HB3      LEU  11  -8.397 -12.337   3.836
   72    HG   LEU  11           HG       LEU  11  -6.654 -11.417   2.356
   73   HD11  LEU  11          HD11      LEU  11  -8.247  -9.895   3.336
   74   HD12  LEU  11          HD12      LEU  11  -7.273  -9.770   4.799
   75   HD13  LEU  11          HD13      LEU  11  -6.660  -9.128   3.276
   76   HD21  LEU  11          HD21      LEU  11  -4.624 -10.458   3.325
   77   HD22  LEU  11          HD22      LEU  11  -5.063 -11.121   4.900
   78   HD23  LEU  11          HD23      LEU  11  -4.690 -12.205   3.559
   79    H    ALA  12           H        ALA  12  -9.038 -14.769   3.033
   80    HA   ALA  12           HA       ALA  12 -10.140 -15.755   5.397
   81    HB1  ALA  12           HB1      ALA  12 -10.611 -16.801   2.609
   82    HB2  ALA  12           HB2      ALA  12 -11.680 -16.989   3.999
   83    HB3  ALA  12           HB3      ALA  12 -11.403 -15.390   3.309
   84    H    LEU  13           H        LEU  13  -7.781 -17.127   3.247
   85    HA   LEU  13           HA       LEU  13  -7.878 -19.672   4.708
   86    HB2  LEU  13           HB3      LEU  13  -6.494 -18.969   2.120
   87    HG   LEU  13           HG       LEU  13  -9.042 -19.129   2.028
   88   HD11  LEU  13          HD11      LEU  13  -7.615 -19.348   0.068
   89   HD12  LEU  13          HD12      LEU  13  -7.402 -21.066   0.406
   90   HD13  LEU  13          HD13      LEU  13  -8.995 -20.443  -0.023
   91   HD21  LEU  13          HD21      LEU  13  -8.404 -22.030   2.549
   92   HD22  LEU  13          HD22      LEU  13  -9.312 -20.957   3.616
   93   HD23  LEU  13          HD23      LEU  13  -9.968 -21.393   2.037
   94    H    GLN  14           H        GLN  14  -6.620 -17.057   5.580
   95    HA   GLN  14           HA       GLN  14  -4.060 -18.228   6.364
   96    HB2  GLN  14           HB3      GLN  14  -4.350 -15.460   5.184
   97    HG2  GLN  14           HG3      GLN  14  -2.847 -17.882   4.226
   98   HE21  GLN  14          HE22      GLN  14  -3.850 -15.106   2.397
   99   HE22  GLN  14          HE21      GLN  14  -2.266 -14.540   2.002
  100    H    GLY  15           H        GLY  15  -5.676 -15.059   6.701
  101    HA2  GLY  15           HA2      GLY  15  -6.894 -14.708   8.859
  102    HA3  GLY  15           HA3      GLY  15  -5.490 -15.429   9.629
  103    H    ARG  16           H        ARG  16  -4.612 -13.834  10.791
  104    HA   ARG  16           HA       ARG  16  -4.686 -11.103  10.178
  105    HB2  ARG  16           HB3      ARG  16  -2.885 -12.729  11.959
  106    HG2  ARG  16           HG3      ARG  16  -4.026 -11.567  13.772
  107    HD2  ARG  16           HD3      ARG  16  -6.214 -12.605  13.585
  108    HE   ARG  16           HE       ARG  16  -3.870 -14.067  13.201
  109   HH11  ARG  16          HH12      ARG  16  -7.298 -14.408  12.692
  110   HH12  ARG  16          HH11      ARG  16  -7.288 -16.130  12.878
  111   HH21  ARG  16          HH21      ARG  16  -3.844 -16.339  13.446
  112   HH22  ARG  16          HH22      ARG  16  -5.325 -17.227  13.304
  113    H    MET  17           H        MET  17  -3.948 -10.415   8.250
  114    HA   MET  17           HA       MET  17  -1.109 -10.445   7.791
  115    HB2  MET  17           HB3      MET  17  -2.985 -11.952   5.980
  116    HG2  MET  17           HG3      MET  17  -0.394 -12.696   7.313
  117    HE1  MET  17           HE1      MET  17  -0.504 -12.491   4.098
  118    HE2  MET  17           HE2      MET  17   0.903 -13.045   5.006
  119    HE3  MET  17           HE3      MET  17   0.278 -14.013   3.671
  120    H    GLU  18           H        GLU  18  -0.513  -9.156   5.861
  121    HA   GLU  18           HA       GLU  18  -2.488  -7.024   5.419
  122    HB2  GLU  18           HB3      GLU  18   0.507  -6.926   5.019
  123    HG2  GLU  18           HG3      GLU  18  -1.139  -5.822   7.283
  124    H    ALA  19           H        ALA  19  -2.623  -6.065   3.291
  125    HA   ALA  19           HA       ALA  19  -2.502  -8.072   1.218
  126    HB1  ALA  19           HB1      ALA  19  -4.455  -6.670   1.320
  127    HB2  ALA  19           HB2      ALA  19  -3.467  -5.217   1.175
  128    HB3  ALA  19           HB3      ALA  19  -3.587  -6.339  -0.180
  129    H    LYS  20           H        LYS  20  -0.550  -5.454   2.301
  130    HA   LYS  20           HA       LYS  20   0.720  -4.586   0.008
  131    HB2  LYS  20           HB3      LYS  20   2.581  -3.961   1.417
  132    HG2  LYS  20           HG3      LYS  20   1.398  -5.765   3.518
  133    HD2  LYS  20           HD3      LYS  20   3.738  -3.868   3.588
  134    HE2  LYS  20           HE3      LYS  20   2.840  -5.923   5.602
  135    HZ1  LYS  20           HZ1      LYS  20   4.708  -5.119   6.916
  136    HZ2  LYS  20           HZ2      LYS  20   3.556  -3.899   6.692
  137    HZ3  LYS  20           HZ3      LYS  20   4.991  -3.884   5.795
  138    H    GLN  21           H        GLN  21   1.087  -7.590   1.743
  139    HA   GLN  21           HA       GLN  21   3.531  -8.437   0.628
  140    HB2  GLN  21           HB3      GLN  21   1.208 -10.100   1.617
  141    HG2  GLN  21           HG3      GLN  21   3.689  -9.258   3.099
  142   HE21  GLN  21          HE22      GLN  21   4.070 -11.345   3.836
  143   HE22  GLN  21          HE21      GLN  21   3.016 -12.130   4.957
  144    H    LEU  22           H        LEU  22   0.211  -9.428  -0.226
  145    HA   LEU  22           HA       LEU  22   0.980 -10.816  -2.562
  146    HB2  LEU  22           HB3      LEU  22  -1.426 -10.775  -3.122
  147    HG   LEU  22           HG       LEU  22  -1.635  -8.955  -0.733
  148   HD11  LEU  22          HD11      LEU  22  -2.307  -8.812  -3.618
  149   HD12  LEU  22          HD12      LEU  22  -3.394  -8.015  -2.478
  150   HD13  LEU  22          HD13      LEU  22  -1.690  -7.568  -2.532
  151   HD21  LEU  22          HD21      LEU  22  -4.034  -9.396  -0.731
  152   HD22  LEU  22          HD22      LEU  22  -3.814 -10.638  -1.963
  153   HD23  LEU  22          HD23      LEU  22  -3.117 -10.854  -0.357
  154    H    SER  23           H        SER  23   0.560  -7.476  -1.912
  155    HA   SER  23           HA       SER  23  -0.064  -6.638  -4.570
  156    HB2  SER  23           HB3      SER  23  -0.640  -5.220  -2.680
  157    HG   SER  23           HG       SER  23  -0.299  -3.620  -3.976
  158    H    ALA  24           H        ALA  24   2.910  -6.791  -2.644
  159    HA   ALA  24           HA       ALA  24   4.556  -5.762  -4.754
  160    HB1  ALA  24           HB1      ALA  24   6.426  -6.300  -3.282
  161    HB2  ALA  24           HB2      ALA  24   5.155  -5.449  -2.404
  162    HB3  ALA  24           HB3      ALA  24   5.340  -7.194  -2.218
  163    H    ARG  25           H        ARG  25   3.438  -8.891  -3.771
  164    HA   ARG  25           HA       ARG  25   5.431 -10.457  -5.033
  165    HB2  ARG  25           HB3      ARG  25   3.936 -11.365  -3.316
  166    HG2  ARG  25           HG3      ARG  25   3.273 -13.460  -4.352
  167    HD2  ARG  25           HD3      ARG  25   5.878 -12.395  -5.435
  168    HE   ARG  25           HE       ARG  25   4.826 -14.846  -5.998
  169   HH11  ARG  25          HH12      ARG  25   7.572 -13.713  -4.180
  170   HH12  ARG  25          HH11      ARG  25   8.528 -15.120  -4.501
  171   HH21  ARG  25          HH21      ARG  25   6.079 -16.705  -6.428
  172   HH22  ARG  25          HH22      ARG  25   7.681 -16.820  -5.780
  173    H    LEU  26           H        LEU  26   2.498  -8.928  -6.170
  174    HA   LEU  26           HA       LEU  26   3.059  -9.983  -8.865
  175    HB2  LEU  26           HB3      LEU  26   0.400  -9.296  -7.619
  176    HG   LEU  26           HG       LEU  26  -0.180 -11.645  -8.406
  177   HD11  LEU  26          HD11      LEU  26   1.754 -11.984  -9.851
  178   HD12  LEU  26          HD12      LEU  26   2.823 -11.896  -8.451
  179   HD13  LEU  26          HD13      LEU  26   1.667 -13.220  -8.596
  180   HD21  LEU  26          HD21      LEU  26   0.091 -11.047  -6.052
  181   HD22  LEU  26          HD22      LEU  26   0.683 -12.676  -6.377
  182   HD23  LEU  26          HD23      LEU  26   1.824 -11.348  -6.173
  183    H    GLN  27           H        GLN  27   3.674  -7.366  -7.225
  184    HA   GLN  27           HA       GLN  27   4.003  -5.172  -7.713
  185    HB2  GLN  27           HB3      GLN  27   3.424  -6.050 -10.549
  186    HG2  GLN  27           HG3      GLN  27   5.330  -7.260  -9.571
  187   HE21  GLN  27          HE22      GLN  27   6.975  -4.319 -10.416
  188   HE22  GLN  27          HE21      GLN  27   7.798  -4.107  -8.911
  189    H    THR  28           H        THR  28   2.426  -4.017  -6.773
  190    HA   THR  28           HA       THR  28   0.219  -3.115  -8.400
  191    HB   THR  28           HB       THR  28  -0.346  -4.595  -5.822
  192    HG1  THR  28           HG1      THR  28  -1.323  -6.106  -7.157
  193   HG21  THR  28          HG21      THR  28  -1.802  -2.638  -6.147
  194   HG22  THR  28          HG22      THR  28  -2.694  -4.153  -6.300
  195   HG23  THR  28          HG23      THR  28  -2.245  -3.245  -7.743
  196    HA   PRO  29           HA       PRO  29   1.101   0.685  -6.305
  197    HB2  PRO  29           HB3      PRO  29  -1.868   1.014  -6.412
  198    HG2  PRO  29           HG3      PRO  29  -1.954   0.780  -8.728
  199    HD2  PRO  29           HD3      PRO  29  -1.671  -1.426  -8.132
  200    H    GLN  30           H        GLN  30   1.349   1.163  -4.212
  201    HA   GLN  30           HA       GLN  30   0.081  -0.465  -2.223
  202    HB2  GLN  30           HB3      GLN  30   1.946   1.889  -1.890
  203    HG2  GLN  30           HG3      GLN  30   2.943  -0.041  -3.105
  204   HE21  GLN  30          HE22      GLN  30   4.576  -1.712  -1.368
  205   HE22  GLN  30          HE21      GLN  30   3.605  -3.085  -0.969
  206    HA   PRO  31           HA       PRO  31  -1.688   4.063  -1.080
  207    HB2  PRO  31           HB3      PRO  31  -2.290   4.664  -3.944
  208    HG2  PRO  31           HG3      PRO  31  -0.077   5.167  -4.454
  209    HD2  PRO  31           HD3      PRO  31   0.092   2.876  -4.380
  210    H    LEU  32           H        LEU  32  -2.732   2.191  -3.915
  211    HA   LEU  32           HA       LEU  32  -5.501   2.470  -3.509
  212    HB2  LEU  32           HB3      LEU  32  -4.384   1.682  -5.603
  213    HG   LEU  32           HG       LEU  32  -6.054   0.221  -6.377
  214   HD11  LEU  32          HD11      LEU  32  -5.626  -1.481  -4.557
  215   HD12  LEU  32          HD12      LEU  32  -6.767  -0.572  -3.567
  216   HD13  LEU  32          HD13      LEU  32  -7.300  -1.303  -5.081
  217   HD21  LEU  32          HD21      LEU  32  -8.126   1.142  -5.506
  218   HD22  LEU  32          HD22      LEU  32  -7.279   1.746  -4.082
  219   HD23  LEU  32          HD23      LEU  32  -6.911   2.409  -5.675
  220    H    ILE  33           H        ILE  33  -3.207  -0.015  -2.453
  221    HA   ILE  33           HA       ILE  33  -4.877  -1.878  -1.341
  222    HB   ILE  33           HB       ILE  33  -2.272  -0.914  -0.155
  223   HG12  ILE  33          HG13      ILE  33  -2.050  -1.585  -2.505
  224   HG21  ILE  33          HG21      ILE  33  -3.761  -3.510   0.214
  225   HG22  ILE  33          HG22      ILE  33  -2.141  -3.168   0.823
  226   HG23  ILE  33          HG23      ILE  33  -3.523  -2.255   1.429
  227   HD11  ILE  33          HD11      ILE  33  -3.959  -3.073  -2.727
  228   HD12  ILE  33          HD12      ILE  33  -2.463  -3.873  -3.210
  229   HD13  ILE  33          HD13      ILE  33  -3.189  -4.232  -1.643
  230    H    ASP  34           H        ASP  34  -3.769   1.153   0.129
  231    HA   ASP  34           HA       ASP  34  -4.743   0.865   2.685
  232    HB2  ASP  34           HB3      ASP  34  -3.426   2.798   2.034
  233    H    ALA  35           H        ALA  35  -6.475   1.757  -0.233
  234    HA   ALA  35           HA       ALA  35  -8.958   2.243   1.144
  235    HB1  ALA  35           HB1      ALA  35  -8.372   3.461  -0.904
  236    HB2  ALA  35           HB2      ALA  35  -8.416   1.947  -1.807
  237    HB3  ALA  35           HB3      ALA  35  -9.890   2.581  -1.076
  238    H    MET  36           H        MET  36  -7.391  -0.447  -0.396
  239    HA   MET  36           HA       MET  36  -9.656  -2.034  -0.926
  240    HB2  MET  36           HB3      MET  36  -7.415  -2.499  -1.853
  241    HG2  MET  36           HG3      MET  36  -8.285  -4.837  -0.176
  242    HE1  MET  36           HE1      MET  36  -5.271  -4.081  -1.002
  243    HE2  MET  36           HE2      MET  36  -5.655  -5.580  -0.157
  244    HE3  MET  36           HE3      MET  36  -4.676  -5.620  -1.623
  245    H    LEU  37           H        LEU  37  -7.411  -2.097   1.846
  246    HA   LEU  37           HA       LEU  37  -9.043  -3.934   3.311
  247    HB2  LEU  37           HB3      LEU  37  -6.650  -2.255   4.019
  248    HG   LEU  37           HG       LEU  37  -6.981  -5.256   4.064
  249   HD11  LEU  37          HD11      LEU  37  -5.557  -5.253   2.077
  250   HD12  LEU  37          HD12      LEU  37  -7.088  -4.429   1.786
  251   HD13  LEU  37          HD13      LEU  37  -5.618  -3.491   2.042
  252   HD21  LEU  37          HD21      LEU  37  -4.565  -5.273   4.351
  253   HD22  LEU  37          HD22      LEU  37  -4.537  -3.509   4.340
  254   HD23  LEU  37          HD23      LEU  37  -5.338  -4.369   5.655
  255    H    GLU  38           H        GLU  38  -8.506  -0.439   3.381
  256    HA   GLU  38           HA       GLU  38 -10.051   0.143   5.646
  257    HB2  GLU  38           HB3      GLU  38  -8.550   1.785   4.674
  258    HG2  GLU  38           HG3      GLU  38  -9.946   3.765   4.565
  259    H    ARG  39           H        ARG  39 -10.934   0.042   2.206
  260    HA   ARG  39           HA       ARG  39 -13.638   0.763   2.573
  261    HB2  ARG  39           HB3      ARG  39 -12.551   0.927   0.395
  262    HG2  ARG  39           HG3      ARG  39 -14.790  -1.087   0.357
  263    HD2  ARG  39           HD3      ARG  39 -13.584  -1.041  -1.770
  264    HE   ARG  39           HE       ARG  39 -13.333   1.704  -1.385
  265   HH11  ARG  39          HH12      ARG  39 -14.247  -0.514  -3.910
  266   HH12  ARG  39          HH11      ARG  39 -13.712   0.521  -5.191
  267   HH21  ARG  39          HH21      ARG  39 -12.627   3.076  -3.064
  268   HH22  ARG  39          HH22      ARG  39 -12.792   2.565  -4.711
  269    H    MET  40           H        MET  40 -12.003  -2.370   2.388
  270    HA   MET  40           HA       MET  40 -14.237  -4.031   2.385
  271    HB2  MET  40           HB3      MET  40 -11.842  -4.727   2.061
  272    HG2  MET  40           HG3      MET  40 -13.392  -6.300   4.107
  273    HE1  MET  40           HE1      MET  40 -12.850  -8.884   4.518
  274    HE2  MET  40           HE2      MET  40 -13.184  -9.065   2.796
  275    HE3  MET  40           HE3      MET  40 -11.731  -9.783   3.493
  276    H    GLU  41           H        GLU  41 -12.404  -2.728   5.136
  277    HA   GLU  41           HA       GLU  41 -14.169  -3.878   7.086
  278    HB2  GLU  41           HB3      GLU  41 -11.812  -3.459   7.605
  279    HG2  GLU  41           HG3      GLU  41 -13.573  -3.273   9.434
  280    H    ALA  42           H        ALA  42 -14.129  -0.993   5.199
  281    HA   ALA  42           HA       ALA  42 -15.446   0.852   6.755
  282    HB1  ALA  42           HB1      ALA  42 -14.608   1.283   4.478
  283    HB2  ALA  42           HB2      ALA  42 -15.950   0.344   3.825
  284    HB3  ALA  42           HB3      ALA  42 -16.266   1.842   4.702
  285    H    MET  43           H        MET  43 -16.661  -2.099   5.410
  286    HA   MET  43           HA       MET  43 -19.441  -1.399   5.815
  287    HB2  MET  43           HB3      MET  43 -18.140  -4.028   5.076
  288    HG2  MET  43           HG3      MET  43 -19.650  -2.060   3.372
  289    HE1  MET  43           HE1      MET  43 -21.481  -3.914   2.751
  290    HE2  MET  43           HE2      MET  43 -21.072  -5.537   2.199
  291    HE3  MET  43           HE3      MET  43 -20.723  -5.056   3.859
  292    H    GLY  44           H        GLY  44 -16.882  -3.016   7.518
  293    HA2  GLY  44           HA2      GLY  44 -17.047  -3.102   9.942
  294    HA3  GLY  44           HA3      GLY  44 -18.755  -3.486   9.752
  295    H    LYS  45           H        LYS  45 -15.790  -4.828   8.283
  296    HA   LYS  45           HA       LYS  45 -16.766  -7.490   8.416
  297    HB2  LYS  45           HB3      LYS  45 -13.984  -6.407   7.953
  298    HG2  LYS  45           HG3      LYS  45 -15.542  -5.851   6.165
  299    HD2  LYS  45           HD3      LYS  45 -15.972  -8.830   5.956
  300    HE2  LYS  45           HE3      LYS  45 -17.123  -6.555   4.345
  301    HZ1  LYS  45           HZ1      LYS  45 -18.653  -8.413   4.630
  302    HZ2  LYS  45           HZ2      LYS  45 -17.481  -9.488   4.050
  303    HZ3  LYS  45           HZ3      LYS  45 -18.121  -8.300   3.030
  304    H    VAL  46           H        VAL  46 -13.736  -6.394   9.924
  305    HA   VAL  46           HA       VAL  46 -14.604  -7.380  12.505
  306    HB   VAL  46           HB       VAL  46 -12.263  -8.666  11.091
  307   HG11  VAL  46          HG11      VAL  46 -13.293  -8.997  13.907
  308   HG12  VAL  46          HG12      VAL  46 -12.096 -10.043  13.145
  309   HG13  VAL  46          HG13      VAL  46 -11.730  -8.341  13.422
  310   HG21  VAL  46          HG21      VAL  46 -14.386  -9.545  10.335
  311   HG22  VAL  46          HG22      VAL  46 -13.574 -10.732  11.354
  312   HG23  VAL  46          HG23      VAL  46 -14.910  -9.783  12.004
  313    H    VAL  47           H        VAL  47 -11.230  -7.117  11.435
  314    HA   VAL  47           HA       VAL  47 -11.015  -4.447  12.559
  315    HB   VAL  47           HB       VAL  47 -10.773  -5.934  14.522
  316   HG11  VAL  47          HG11      VAL  47  -8.375  -6.990  13.032
  317   HG12  VAL  47          HG12      VAL  47  -8.767  -7.342  14.715
  318   HG13  VAL  47          HG13      VAL  47  -9.841  -7.886  13.426
  319   HG21  VAL  47          HG21      VAL  47  -8.688  -4.959  15.350
  320   HG22  VAL  47          HG22      VAL  47  -8.241  -4.513  13.704
  321   HG23  VAL  47          HG23      VAL  47  -9.645  -3.769  14.469
  322    H    ARG  48           H        ARG  48  -9.203  -3.325  11.904
  323    HA   ARG  48           HA       ARG  48  -7.180  -4.701  10.327
  324    HB2  ARG  48           HB3      ARG  48  -7.416  -3.035   8.474
  325    HG2  ARG  48           HG3      ARG  48  -9.875  -2.174   8.307
  326    HD2  ARG  48           HD3      ARG  48  -7.793  -0.793   9.999
  327    HE   ARG  48           HE       ARG  48 -10.350   0.135   9.266
  328   HH11  ARG  48          HH12      ARG  48  -7.011   1.128   9.329
  329   HH12  ARG  48          HH11      ARG  48  -7.381   2.812   9.500
  330   HH21  ARG  48          HH21      ARG  48 -10.847   2.352   9.491
  331   HH22  ARG  48          HH22      ARG  48  -9.561   3.508   9.596
  332    H    ILE  49           H        ILE  49  -5.302  -3.327   9.863
  333    HA   ILE  49           HA       ILE  49  -5.108  -0.994  11.645
  334    HB   ILE  49           HB       ILE  49  -2.929  -3.060  11.336
  335   HG12  ILE  49          HG13      ILE  49  -3.500  -3.328  13.882
  336   HG21  ILE  49          HG21      ILE  49  -2.113  -0.807  11.748
  337   HG22  ILE  49          HG22      ILE  49  -3.171  -0.666  13.151
  338   HG23  ILE  49          HG23      ILE  49  -1.849  -1.835  13.157
  339   HD11  ILE  49          HD11      ILE  49  -5.417  -4.529  11.906
  340   HD12  ILE  49          HD12      ILE  49  -3.774  -5.111  12.170
  341   HD13  ILE  49          HD13      ILE  49  -4.951  -5.165  13.482
  342    H    SER  50           H        SER  50  -4.713   0.720  10.409
  343    HA   SER  50           HA       SER  50  -3.500   0.482   7.811
  344    HB2  SER  50           HB3      SER  50  -3.795   2.931   7.701
  345    HG   SER  50           HG       SER  50  -3.892   4.008   9.487
  346    H    GLU  51           H        GLU  51  -1.392   0.414   7.444
  347    HA   GLU  51           HA       GLU  51   0.410   1.740   9.363
  348    HB2  GLU  51           HB3      GLU  51   0.625  -0.695   9.464
  349    HG2  GLU  51           HG3      GLU  51   2.981   0.510   8.030
  350    H    THR  52           H        THR  52   1.817   3.193   8.594
  351    HA   THR  52           HA       THR  52   2.162   3.383   5.673
  352    HB   THR  52           HB       THR  52   0.672   5.177   6.448
  353    HG1  THR  52           HG1      THR  52   2.108   5.648   4.735
  354   HG21  THR  52          HG21      THR  52   1.493   5.354   8.754
  355   HG22  THR  52          HG22      THR  52   1.504   6.922   7.945
  356   HG23  THR  52          HG23      THR  52   3.010   6.031   8.159
  357    H    SER  53           H        SER  53   4.122   4.682   5.066
  358    HA   SER  53           HA       SER  53   6.218   5.161   6.874
  359    HB2  SER  53           HB3      SER  53   7.730   3.299   6.303
  360    HG   SER  53           HG       SER  53   5.453   2.207   5.007
  361    H    GLU  54           H        GLU  54   7.701   6.429   5.924
  362    HA   GLU  54           HA       GLU  54   7.529   6.738   3.009
  363    HB2  GLU  54           HB3      GLU  54   8.621   8.608   5.118
  364    HG2  GLU  54           HG3      GLU  54   6.184   8.518   5.127
  365    H    GLY  55           H        GLY  55  10.123   7.329   5.379
  366    HA2  GLY  55           HA2      GLY  55  12.010   5.633   5.249
  367    HA3  GLY  55           HA3      GLY  55  11.968   5.962   3.524
  368    H    CYS  56           H        CYS  56  11.690   8.212   6.247
  369    HA   CYS  56           HA       CYS  56  14.354   9.238   5.831
  370    HB2  CYS  56           HB3      CYS  56  13.177  10.384   4.032
  371    HG   CYS  56           HG       CYS  56  13.355  12.853   6.348
  372    H    LEU  57           H        LEU  57  11.245  10.445   7.100
  373    HA   LEU  57           HA       LEU  57  10.686  11.340   9.118
  374    HB2  LEU  57           HB3      LEU  57  12.622   9.243  10.109
  375    HG   LEU  57           HG       LEU  57  10.874   8.170   8.791
  376   HD11  LEU  57          HD11      LEU  57   9.934   6.728  10.527
  377   HD12  LEU  57          HD12      LEU  57  11.647   7.046  10.807
  378   HD13  LEU  57          HD13      LEU  57  10.426   7.890  11.759
  379   HD21  LEU  57          HD21      LEU  57   8.953   9.634  10.595
  380   HD22  LEU  57          HD22      LEU  57   9.207   9.945   8.879
  381   HD23  LEU  57          HD23      LEU  57   8.520   8.408   9.404
  382    H    SER  58           H        SER  58  12.077  13.179   8.173
  383    HA   SER  58           HA       SER  58  14.334  13.740   9.978
  384    HB2  SER  58           HB3      SER  58  15.126  15.319   8.257
  385    HG   SER  58           HG       SER  58  13.724  15.966   6.848
  386    H    GLY  59           H        GLY  59  11.190  14.746   8.980
  387    HA2  GLY  59           HA2      GLY  59  11.381  17.456   9.873
  388    HA3  GLY  59           HA3      GLY  59   9.903  16.585   9.496
  389    H    SER  60           H        SER  60   8.600  16.087  11.129
  390    HA   SER  60           HA       SER  60   9.703  16.212  13.857
  391    HB2  SER  60           HB3      SER  60   7.589  17.077  14.618
  392    HG   SER  60           HG       SER  60   6.270  17.490  12.358
  393    H    CYS  61           H        CYS  61   7.515  14.536  11.673
  394    HA   CYS  61           HA       CYS  61   7.858  12.070  13.058
  395    HB2  CYS  61           HB3      CYS  61   6.229  13.065  14.581
  396    HG   CYS  61           HG       CYS  61   5.954  10.183  13.410
  397    H    LYS  62           H        LYS  62   5.282  13.593  11.113
  398    HA   LYS  62           HA       LYS  62   5.114  11.299   9.388
  399    HB2  LYS  62           HB3      LYS  62   3.388  12.568   8.214
  400    HG2  LYS  62           HG3      LYS  62   4.117  14.848  10.041
  401    HD2  LYS  62           HD3      LYS  62   1.698  14.640   9.767
  402    HE2  LYS  62           HE3      LYS  62   2.297  14.787   6.816
  403    HZ1  LYS  62           HZ1      LYS  62   0.313  16.031   7.418
  404    HZ2  LYS  62           HZ2      LYS  62  -0.312  14.684   8.231
  405    HZ3  LYS  62           HZ3      LYS  62  -0.093  14.634   6.555
  406    H    SER  63           H        SER  63   6.217  14.657   9.050
  407    HA   SER  63           HA       SER  63   7.497  15.696   7.479
  408    HB2  SER  63           HB3      SER  63   8.702  12.925   7.293
  409    HG   SER  63           HG       SER  63   9.227  13.530   9.261
  410    H    CYS  64           H        CYS  64   6.098  16.275   5.880
  411    HA   CYS  64           HA       CYS  64   6.057  14.529   3.523
  412    HB2  CYS  64           HB3      CYS  64   3.918  14.203   4.660
  413    HG   CYS  64           HG       CYS  64   4.175  14.726   1.612
  414    HA   PRO  65           HA       PRO  65   7.729  18.623   2.261
  415    HB2  PRO  65           HB3      PRO  65   8.049  16.931  -0.176
  416    HG2  PRO  65           HG3      PRO  65   9.489  15.428   0.860
  417    HD2  PRO  65           HD3      PRO  65   7.505  14.722   1.785
  418    H    GLU  66           H        GLU  66   5.980  16.520  -0.034
  419    HA   GLU  66           HA       GLU  66   3.793  18.334  -0.276
  420    HB2  GLU  66           HB3      GLU  66   5.330  19.621  -1.609
  421    HG2  GLU  66           HG3      GLU  66   4.322  19.592  -3.828
  422    H    GLY  67           H        GLY  67   5.236  16.371  -2.848
  423    HA2  GLY  67           HA2      GLY  67   3.140  14.352  -2.419
  424    HA3  GLY  67           HA3      GLY  67   3.365  15.069  -4.007
  425    H    LYS  68           H        LYS  68   6.198  14.593  -2.129
  426    HA   LYS  68           HA       LYS  68   7.493  13.036  -4.024
  427    HB2  LYS  68           HB3      LYS  68   8.657  14.278  -2.254
  428    HG2  LYS  68           HG3      LYS  68   9.249  11.327  -2.151
  429    HD2  LYS  68           HD3      LYS  68  10.945  13.704  -1.393
  430    HE2  LYS  68           HE3      LYS  68  12.621  12.023  -0.763
  431    HZ1  LYS  68           HZ1      LYS  68  13.323  11.422  -2.981
  432    HZ2  LYS  68           HZ2      LYS  68  12.751  13.014  -2.971
  433    HZ3  LYS  68           HZ3      LYS  68  11.790  11.773  -3.602
  434    H    ALA  69           H        ALA  69   6.343  11.266  -4.721
  435    HA   ALA  69           HA       ALA  69   5.416   9.179  -4.712
  436    HB1  ALA  69           HB1      ALA  69   7.767   8.630  -4.335
  437    HB2  ALA  69           HB2      ALA  69   7.517   8.741  -2.592
  438    HB3  ALA  69           HB3      ALA  69   6.703   7.482  -3.520
  439    H    ALA  70           H        ALA  70   4.743   7.297  -3.006
  440    HA   ALA  70           HA       ALA  70   3.820   8.029  -0.470
  441    HB1  ALA  70           HB1      ALA  70   1.696   8.237  -2.600
  442    HB2  ALA  70           HB2      ALA  70   1.437   8.341  -0.860
  443    HB3  ALA  70           HB3      ALA  70   2.375   9.584  -1.686
  444    H    CYS  71           H        CYS  71   3.714   6.140   0.522
  445    HA   CYS  71           HA       CYS  71   2.438   3.876  -0.843
  446    HB2  CYS  71           HB3      CYS  71   5.061   3.754   0.661
  447    HG   CYS  71           HG       CYS  71   5.182   2.433  -2.340
  448    H    ARG  72           H        ARG  72   0.786   3.215   0.352
  449    HA   ARG  72           HA       ARG  72   1.110   3.016   3.253
  450    HB2  ARG  72           HB3      ARG  72  -1.189   3.959   3.569
  451    HG2  ARG  72           HG3      ARG  72  -0.850   5.105   0.812
  452    HD2  ARG  72           HD3      ARG  72  -3.129   5.858   1.124
  453    HE   ARG  72           HE       ARG  72  -1.063   6.847   2.749
  454   HH11  ARG  72          HH12      ARG  72  -4.534   6.932   2.456
  455   HH12  ARG  72          HH11      ARG  72  -4.689   8.485   3.210
  456   HH21  ARG  72          HH21      ARG  72  -1.257   8.890   3.747
  457   HH22  ARG  72          HH22      ARG  72  -2.827   9.598   3.943
  458    H    GLN  73           H        GLN  73   0.430   1.115   3.993
  459    HA   GLN  73           HA       GLN  73  -1.684  -0.313   2.542
  460    HB2  GLN  73           HB3      GLN  73  -0.268  -2.426   3.142
  461    HG2  GLN  73           HG3      GLN  73   1.473  -0.885   4.291
  462   HE21  GLN  73          HE22      GLN  73   3.379   0.247   4.006
  463   HE22  GLN  73          HE21      GLN  73   3.788   1.009   2.510
  464    H    GLU  74           H        GLU  74  -3.174  -1.250   3.839
  465    HA   GLU  74           HA       GLU  74  -2.791  -0.950   6.718
  466    HB2  GLU  74           HB3      GLU  74  -5.332  -2.094   5.758
  467    HG2  GLU  74           HG3      GLU  74  -4.977  -0.551   3.937
  468    H    TRP  75           H        TRP  75  -3.979  -2.764   8.012
  469    HA   TRP  75           HA       TRP  75  -3.002  -5.360   7.027
  470    HB2  TRP  75           HB3      TRP  75  -1.650  -4.502   8.914
  471    HD1  TRP  75           HD1      TRP  75  -4.462  -7.090   9.703
  472    HE1  TRP  75           HE1      TRP  75  -3.324  -9.262  10.472
  473    HE3  TRP  75           HE3      TRP  75   0.420  -5.575   9.485
  474    HZ2  TRP  75           HZ2      TRP  75  -0.705 -10.211  10.930
  475    HZ3  TRP  75           HZ3      TRP  75   2.179  -7.178  10.109
  476    HH2  TRP  75           HH2      TRP  75   1.626  -9.447  10.818
  477    H    TRP  76           H        TRP  76  -4.491  -6.947   6.905
  478    HA   TRP  76           HA       TRP  76  -7.145  -6.372   8.016
  479    HB2  TRP  76           HB3      TRP  76  -6.920  -6.817   5.554
  480    HD1  TRP  76           HD1      TRP  76  -8.322 -10.168   6.598
  481    HE1  TRP  76           HE1      TRP  76 -10.894 -10.040   6.619
  482    HE3  TRP  76           HE3      TRP  76  -8.885  -5.124   6.007
  483    HZ2  TRP  76           HZ2      TRP  76 -12.893  -8.058   6.415
  484    HZ3  TRP  76           HZ3      TRP  76 -11.157  -4.191   5.931
  485    HH2  TRP  76           HH2      TRP  76 -13.118  -5.626   6.130
  486    H    ALA  77           H        ALA  77  -8.176  -7.743   9.393
  487    HA   ALA  77           HA       ALA  77  -7.127 -10.363   9.972
  488    HB1  ALA  77           HB1      ALA  77  -6.773  -9.875  12.394
  489    HB2  ALA  77           HB2      ALA  77  -5.596  -9.121  11.315
  490    HB3  ALA  77           HB3      ALA  77  -6.901  -8.159  12.011
  491    H    LEU  78           H        LEU  78  -8.669 -11.686  10.705
  492    HA   LEU  78           HA       LEU  78 -11.284 -10.501  11.329
  493    HB2  LEU  78           HB3      LEU  78 -10.596 -13.284  10.384
  494    HG   LEU  78           HG       LEU  78 -11.885 -11.003   8.886
  495   HD11  LEU  78          HD11      LEU  78 -10.019 -11.686   7.251
  496   HD12  LEU  78          HD12      LEU  78  -9.582 -10.746   8.678
  497   HD13  LEU  78          HD13      LEU  78  -9.295 -12.484   8.647
  498   HD21  LEU  78          HD21      LEU  78 -13.114 -13.044   8.454
  499   HD22  LEU  78          HD22      LEU  78 -12.131 -12.629   7.050
  500   HD23  LEU  78          HD23      LEU  78 -11.611 -13.914   8.142
  501    H    ARG  79           H        ARG  79 -12.622 -12.304  12.648
  502    HA   ARG  79           HA       ARG  79 -10.977 -13.022  14.985
  503    HB2  ARG  79           HB3      ARG  79 -12.344 -11.086  15.520
  504    HG2  ARG  79           HG3      ARG  79 -13.630 -13.513  16.749
  505    HD2  ARG  79           HD3      ARG  79 -14.809 -11.441  17.226
  506    HE   ARG  79           HE       ARG  79 -12.245 -10.269  17.432
  507   HH11  ARG  79          HH12      ARG  79 -15.434 -10.158  18.822
  508   HH12  ARG  79          HH11      ARG  79 -15.305  -8.501  19.312
  509   HH21  ARG  79          HH21      ARG  79 -12.060  -8.089  18.072
  510   HH22  ARG  79          HH22      ARG  79 -13.383  -7.324  18.888
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1 -11.068  -7.944 -14.129
    2    H2   MET   1           H2       MET   1 -11.222  -6.468 -14.944
    3    H3   MET   1           H3       MET   1 -12.418  -6.962 -13.854
    4    HA   MET   1           HA       MET   1  -9.618  -6.283 -13.172
    5    HB2  MET   1           HB3      MET   1 -10.642  -4.364 -11.983
    6    HG2  MET   1           HG3      MET   1 -13.157  -5.159 -13.429
    7    HE1  MET   1           HE1      MET   1 -12.850  -1.288 -14.153
    8    HE2  MET   1           HE2      MET   1 -11.518  -2.444 -14.125
    9    HE3  MET   1           HE3      MET   1 -13.052  -2.883 -14.874
   10    H    ALA   2           H        ALA   2  -9.045  -6.507 -11.015
   11    HA   ALA   2           HA       ALA   2 -10.810  -8.277  -9.466
   12    HB1  ALA   2           HB1      ALA   2  -8.773  -8.964  -8.266
   13    HB2  ALA   2           HB2      ALA   2  -8.656  -9.254 -10.002
   14    HB3  ALA   2           HB3      ALA   2  -7.826  -7.876  -9.279
   15    H    SER   3           H        SER   3 -11.955  -7.235  -7.983
   16    HA   SER   3           HA       SER   3 -11.067  -4.728  -6.863
   17    HB2  SER   3           HB3      SER   3 -13.232  -4.746  -5.685
   18    HG   SER   3           HG       SER   3 -14.649  -6.566  -6.309
   19    H    LEU   4           H        LEU   4 -11.885  -4.737  -4.288
   20    HA   LEU   4           HA       LEU   4  -9.726  -5.793  -2.898
   21    HB2  LEU   4           HB3      LEU   4 -10.995  -5.291  -0.855
   22    HG   LEU   4           HG       LEU   4 -13.313  -4.959  -2.731
   23   HD11  LEU   4          HD11      LEU   4 -14.483  -5.973  -0.738
   24   HD12  LEU   4          HD12      LEU   4 -13.330  -7.017  -1.566
   25   HD13  LEU   4          HD13      LEU   4 -12.883  -6.245  -0.048
   26   HD21  LEU   4          HD21      LEU   4 -12.943  -3.558  -0.086
   27   HD22  LEU   4          HD22      LEU   4 -13.031  -2.791  -1.672
   28   HD23  LEU   4          HD23      LEU   4 -14.441  -3.621  -1.017
   29    H    MET   5           H        MET   5 -12.590  -7.361  -3.954
   30    HA   MET   5           HA       MET   5 -12.912  -9.367  -2.058
   31    HB2  MET   5           HB3      MET   5 -13.984 -10.660  -3.833
   32    HG2  MET   5           HG3      MET   5 -12.821  -8.606  -5.696
   33    HE1  MET   5           HE1      MET   5 -14.558  -9.700  -9.004
   34    HE2  MET   5           HE2      MET   5 -13.470  -8.539  -8.247
   35    HE3  MET   5           HE3      MET   5 -13.016 -10.242  -8.339
   36    H    GLU   6           H        GLU   6 -10.490  -8.967  -4.520
   37    HA   GLU   6           HA       GLU   6  -9.545 -11.595  -4.722
   38    HB2  GLU   6           HB3      GLU   6  -8.878  -9.784  -6.246
   39    HG2  GLU   6           HG3      GLU   6  -6.476 -10.191  -6.391
   40    H    VAL   7           H        VAL   7  -8.066  -8.936  -2.854
   41    HA   VAL   7           HA       VAL   7  -6.327 -10.568  -1.381
   42    HB   VAL   7           HB       VAL   7  -6.089  -8.670   0.161
   43   HG11  VAL   7          HG11      VAL   7  -5.293  -7.030  -1.461
   44   HG12  VAL   7          HG12      VAL   7  -4.866  -8.670  -1.952
   45   HG13  VAL   7          HG13      VAL   7  -6.209  -7.837  -2.735
   46   HG21  VAL   7          HG21      VAL   7  -8.444  -7.993   0.241
   47   HG22  VAL   7          HG22      VAL   7  -7.390  -6.634  -0.153
   48   HG23  VAL   7          HG23      VAL   7  -8.331  -7.417  -1.424
   49    H    ARG   8           H        ARG   8  -9.646  -9.608  -0.860
   50    HA   ARG   8           HA       ARG   8 -10.025 -10.206   1.798
   51    HB2  ARG   8           HB3      ARG   8 -11.795  -9.232   0.505
   52    HG2  ARG   8           HG3      ARG   8 -12.725 -12.006   1.215
   53    HD2  ARG   8           HD3      ARG   8 -14.340 -10.664  -0.053
   54    HE   ARG   8           HE       ARG   8 -13.457  -8.488   1.386
   55   HH11  ARG   8          HH12      ARG   8 -16.520  -9.983   0.676
   56   HH12  ARG   8          HH11      ARG   8 -17.409  -8.499   0.756
   57   HH21  ARG   8          HH21      ARG   8 -14.619  -6.529   1.499
   58   HH22  ARG   8          HH22      ARG   8 -16.329  -6.536   1.226
   59    H    ASP   9           H        ASP   9 -10.547 -12.452  -0.925
   60    HA   ASP   9           HA       ASP   9 -10.945 -14.730   0.677
   61    HB2  ASP   9           HB3      ASP   9 -11.658 -14.604  -1.673
   62    H    MET  10           H        MET  10  -8.050 -13.471  -0.938
   63    HA   MET  10           HA       MET  10  -6.271 -15.514  -0.489
   64    HB2  MET  10           HB3      MET  10  -5.798 -12.535  -0.366
   65    HG2  MET  10           HG3      MET  10  -6.579 -13.368  -2.540
   66    HE1  MET  10           HE1      MET  10  -4.634 -13.906  -4.932
   67    HE2  MET  10           HE2      MET  10  -4.818 -15.635  -5.224
   68    HE3  MET  10           HE3      MET  10  -6.236 -14.641  -4.889
   69    H    LEU  11           H        LEU  11  -7.101 -12.880   1.751
   70    HA   LEU  11           HA       LEU  11  -5.403 -13.883   3.825
   71    HB2  LEU  11           HB3      LEU  11  -7.673 -11.910   4.056
   72    HG   LEU  11           HG       LEU  11  -6.234 -10.880   2.489
   73   HD11  LEU  11          HD11      LEU  11  -5.217  -9.044   3.777
   74   HD12  LEU  11          HD12      LEU  11  -6.858  -9.419   4.304
   75   HD13  LEU  11          HD13      LEU  11  -5.480  -9.966   5.259
   76   HD21  LEU  11          HD21      LEU  11  -3.939 -11.806   4.209
   77   HD22  LEU  11          HD22      LEU  11  -4.360 -12.400   2.603
   78   HD23  LEU  11          HD23      LEU  11  -3.794 -10.743   2.810
   79    H    ALA  12           H        ALA  12  -8.780 -14.215   2.958
   80    HA   ALA  12           HA       ALA  12  -9.847 -15.203   5.311
   81    HB1  ALA  12           HB1      ALA  12 -10.519 -16.063   2.501
   82    HB2  ALA  12           HB2      ALA  12 -11.530 -16.304   3.925
   83    HB3  ALA  12           HB3      ALA  12 -11.197 -14.672   3.347
   84    H    LEU  13           H        LEU  13  -7.928 -16.830   2.869
   85    HA   LEU  13           HA       LEU  13  -8.275 -19.476   3.574
   86    HB2  LEU  13           HB3      LEU  13  -5.716 -18.137   2.696
   87    HG   LEU  13           HG       LEU  13  -7.856 -17.975   1.181
   88   HD11  LEU  13          HD11      LEU  13  -5.623 -17.279   0.523
   89   HD12  LEU  13          HD12      LEU  13  -5.193 -18.952   0.161
   90   HD13  LEU  13          HD13      LEU  13  -6.427 -18.131  -0.796
   91   HD21  LEU  13          HD21      LEU  13  -6.909 -20.789   0.653
   92   HD22  LEU  13          HD22      LEU  13  -8.461 -20.331   1.351
   93   HD23  LEU  13          HD23      LEU  13  -8.081 -19.896  -0.317
   94    H    GLN  14           H        GLN  14  -5.742 -17.275   4.790
   95    HA   GLN  14           HA       GLN  14  -5.375 -19.091   7.073
   96    HB2  GLN  14           HB3      GLN  14  -3.527 -16.962   5.980
   97    HG2  GLN  14           HG3      GLN  14  -3.255 -19.959   5.961
   98   HE21  GLN  14          HE22      GLN  14  -1.717 -19.604   3.506
   99   HE22  GLN  14          HE21      GLN  14  -0.141 -19.094   3.999
  100    H    GLY  15           H        GLY  15  -5.002 -15.587   6.486
  101    HA2  GLY  15           HA2      GLY  15  -6.450 -13.987   7.596
  102    HA3  GLY  15           HA3      GLY  15  -6.575 -15.116   8.937
  103    H    ARG  16           H        ARG  16  -5.941 -12.499   9.415
  104    HA   ARG  16           HA       ARG  16  -4.449 -11.151  10.471
  105    HB2  ARG  16           HB3      ARG  16  -3.228 -13.840  11.095
  106    HG2  ARG  16           HG3      ARG  16  -4.074 -13.391  13.370
  107    HD2  ARG  16           HD3      ARG  16  -6.275 -13.277  11.318
  108    HE   ARG  16           HE       ARG  16  -6.552 -13.484  13.996
  109   HH11  ARG  16          HH12      ARG  16  -7.064 -15.698  11.357
  110   HH12  ARG  16          HH11      ARG  16  -8.328 -16.567  12.161
  111   HH21  ARG  16          HH21      ARG  16  -8.214 -14.622  15.063
  112   HH22  ARG  16          HH22      ARG  16  -8.984 -15.953  14.268
  113    H    MET  17           H        MET  17  -3.962 -10.520   8.160
  114    HA   MET  17           HA       MET  17  -1.108 -10.411   7.845
  115    HB2  MET  17           HB3      MET  17  -2.797 -11.898   5.835
  116    HG2  MET  17           HG3      MET  17  -0.304 -12.654   7.337
  117    HE1  MET  17           HE1      MET  17   0.832 -15.023   6.983
  118    HE2  MET  17           HE2      MET  17  -0.749 -15.767   7.228
  119    HE3  MET  17           HE3      MET  17   0.234 -16.223   5.838
  120    H    GLU  18           H        GLU  18  -0.595  -9.230   5.675
  121    HA   GLU  18           HA       GLU  18  -2.577  -7.072   5.350
  122    HB2  GLU  18           HB3      GLU  18   0.414  -6.888   4.955
  123    HG2  GLU  18           HG3      GLU  18  -1.253  -5.996   7.292
  124    H    ALA  19           H        ALA  19  -2.661  -6.049   3.224
  125    HA   ALA  19           HA       ALA  19  -2.512  -8.031   1.122
  126    HB1  ALA  19           HB1      ALA  19  -4.476  -6.778   1.049
  127    HB2  ALA  19           HB2      ALA  19  -3.622  -5.254   1.290
  128    HB3  ALA  19           HB3      ALA  19  -3.491  -6.104  -0.249
  129    H    LYS  20           H        LYS  20  -0.532  -5.491   2.286
  130    HA   LYS  20           HA       LYS  20   0.707  -4.596  -0.046
  131    HB2  LYS  20           HB3      LYS  20   2.510  -3.847   1.358
  132    HG2  LYS  20           HG3      LYS  20   1.415  -5.670   3.489
  133    HD2  LYS  20           HD3      LYS  20   3.596  -3.594   3.547
  134    HE2  LYS  20           HE3      LYS  20   3.944  -4.336   5.883
  135    HZ1  LYS  20           HZ1      LYS  20   5.207  -6.315   5.349
  136    HZ2  LYS  20           HZ2      LYS  20   5.419  -5.149   4.143
  137    HZ3  LYS  20           HZ3      LYS  20   4.402  -6.472   3.869
  138    H    GLN  21           H        GLN  21   1.457  -7.376   2.021
  139    HA   GLN  21           HA       GLN  21   3.814  -8.232   0.870
  140    HB2  GLN  21           HB3      GLN  21   1.536  -9.954   1.870
  141    HG2  GLN  21           HG3      GLN  21   2.394  -8.321   3.540
  142   HE21  GLN  21          HE22      GLN  21   4.262  -9.538   5.415
  143   HE22  GLN  21          HE21      GLN  21   5.841  -9.087   4.878
  144    H    LEU  22           H        LEU  22   0.545  -9.362   0.000
  145    HA   LEU  22           HA       LEU  22   1.393 -10.760  -2.301
  146    HB2  LEU  22           HB3      LEU  22  -1.018 -10.775  -2.906
  147    HG   LEU  22           HG       LEU  22  -1.285  -8.961  -0.528
  148   HD11  LEU  22          HD11      LEU  22  -3.052  -7.997  -2.100
  149   HD12  LEU  22          HD12      LEU  22  -1.363  -7.745  -2.523
  150   HD13  LEU  22          HD13      LEU  22  -2.300  -8.988  -3.350
  151   HD21  LEU  22          HD21      LEU  22  -3.405 -10.793  -1.639
  152   HD22  LEU  22          HD22      LEU  22  -2.630 -10.944  -0.062
  153   HD23  LEU  22          HD23      LEU  22  -3.648  -9.547  -0.415
  154    H    SER  23           H        SER  23   0.865  -7.427  -1.703
  155    HA   SER  23           HA       SER  23   0.307  -6.665  -4.405
  156    HB2  SER  23           HB3      SER  23  -0.432  -5.264  -2.540
  157    HG   SER  23           HG       SER  23   0.905  -3.289  -3.257
  158    H    ALA  24           H        ALA  24   3.159  -7.120  -2.451
  159    HA   ALA  24           HA       ALA  24   4.924  -5.791  -4.302
  160    HB1  ALA  24           HB1      ALA  24   5.406  -5.834  -1.895
  161    HB2  ALA  24           HB2      ALA  24   5.583  -7.588  -1.969
  162    HB3  ALA  24           HB3      ALA  24   6.712  -6.550  -2.840
  163    H    ARG  25           H        ARG  25   4.000  -9.105  -3.532
  164    HA   ARG  25           HA       ARG  25   5.916 -10.436  -5.090
  165    HB2  ARG  25           HB3      ARG  25   3.085 -11.312  -4.493
  166    HG2  ARG  25           HG3      ARG  25   4.597 -10.727  -2.492
  167    HD2  ARG  25           HD3      ARG  25   6.037 -12.636  -1.816
  168    HE   ARG  25           HE       ARG  25   6.836 -10.606  -3.396
  169   HH11  ARG  25          HH12      ARG  25   7.681 -13.981  -3.249
  170   HH12  ARG  25          HH11      ARG  25   9.299 -13.736  -3.819
  171   HH21  ARG  25          HH21      ARG  25   8.964 -10.269  -4.146
  172   HH22  ARG  25          HH22      ARG  25  10.029 -11.624  -4.328
  173    H    LEU  26           H        LEU  26   2.804  -9.024  -5.908
  174    HA   LEU  26           HA       LEU  26   3.179  -9.826  -8.709
  175    HB2  LEU  26           HB3      LEU  26   0.748  -8.925  -7.178
  176    HG   LEU  26           HG       LEU  26  -0.254 -11.024  -7.953
  177   HD11  LEU  26          HD11      LEU  26   1.060 -11.266 -10.013
  178   HD12  LEU  26          HD12      LEU  26   2.483 -11.657  -9.046
  179   HD13  LEU  26          HD13      LEU  26   1.084 -12.732  -9.032
  180   HD21  LEU  26          HD21      LEU  26   2.383 -11.496  -6.569
  181   HD22  LEU  26          HD22      LEU  26   0.914 -10.926  -5.777
  182   HD23  LEU  26          HD23      LEU  26   0.956 -12.531  -6.508
  183    H    GLN  27           H        GLN  27   3.350  -7.134  -6.606
  184    HA   GLN  27           HA       GLN  27   3.878  -4.952  -6.950
  185    HB2  GLN  27           HB3      GLN  27   4.303  -5.820  -9.812
  186    HG2  GLN  27           HG3      GLN  27   6.242  -5.521  -7.534
  187   HE21  GLN  27          HE22      GLN  27   5.808  -5.677 -11.007
  188   HE22  GLN  27          HE21      GLN  27   7.458  -5.385 -11.415
  189    H    THR  28           H        THR  28   1.797  -4.244  -6.462
  190    HA   THR  28           HA       THR  28   0.268  -3.294  -8.783
  191    HB   THR  28           HB       THR  28  -0.840  -5.300  -7.824
  192    HG1  THR  28           HG1      THR  28  -2.352  -2.954  -7.267
  193   HG21  THR  28          HG21      THR  28  -1.078  -3.578  -5.358
  194   HG22  THR  28          HG22      THR  28  -0.159  -5.076  -5.509
  195   HG23  THR  28          HG23      THR  28  -1.919  -5.107  -5.613
  196    HA   PRO  29           HA       PRO  29   0.345   0.791  -7.125
  197    HB2  PRO  29           HB3      PRO  29  -2.636   0.557  -7.306
  198    HG2  PRO  29           HG3      PRO  29  -2.564   0.142  -9.590
  199    HD2  PRO  29           HD3      PRO  29  -1.784  -1.916  -8.997
  200    H    GLN  30           H        GLN  30   0.973   0.685  -5.030
  201    HA   GLN  30           HA       GLN  30  -0.263  -0.626  -2.934
  202    HB2  GLN  30           HB3      GLN  30   1.387   1.902  -2.820
  203    HG2  GLN  30           HG3      GLN  30   2.239  -0.955  -2.436
  204   HE21  GLN  30          HE22      GLN  30   3.314  -0.478  -0.521
  205   HE22  GLN  30          HE21      GLN  30   4.739   0.501  -0.488
  206    HA   PRO  31           HA       PRO  31  -2.396   3.821  -2.030
  207    HB2  PRO  31           HB3      PRO  31  -3.181   4.056  -4.908
  208    HG2  PRO  31           HG3      PRO  31  -1.057   4.760  -5.556
  209    HD2  PRO  31           HD3      PRO  31  -0.604   2.528  -5.279
  210    H    LEU  32           H        LEU  32  -3.226   1.317  -4.347
  211    HA   LEU  32           HA       LEU  32  -6.047   1.423  -3.793
  212    HB2  LEU  32           HB3      LEU  32  -4.844   0.613  -5.944
  213    HG   LEU  32           HG       LEU  32  -6.578  -1.020  -6.524
  214   HD11  LEU  32          HD11      LEU  32  -6.514  -2.016  -4.139
  215   HD12  LEU  32          HD12      LEU  32  -7.706  -0.772  -3.764
  216   HD13  LEU  32          HD13      LEU  32  -8.048  -1.974  -5.009
  217   HD21  LEU  32          HD21      LEU  32  -7.078   1.384  -6.591
  218   HD22  LEU  32          HD22      LEU  32  -8.505   0.420  -6.210
  219   HD23  LEU  32          HD23      LEU  32  -7.667   1.297  -4.930
  220    H    ILE  33           H        ILE  33  -3.308  -0.578  -2.819
  221    HA   ILE  33           HA       ILE  33  -4.572  -2.643  -1.508
  222    HB   ILE  33           HB       ILE  33  -2.076  -1.216  -0.577
  223   HG12  ILE  33          HG13      ILE  33  -1.906  -1.925  -2.915
  224   HG21  ILE  33          HG21      ILE  33  -3.085  -2.731   1.093
  225   HG22  ILE  33          HG22      ILE  33  -2.970  -4.047  -0.076
  226   HG23  ILE  33          HG23      ILE  33  -1.504  -3.280   0.533
  227   HD11  ILE  33          HD11      ILE  33  -1.985  -4.283  -3.531
  228   HD12  ILE  33          HD12      ILE  33  -2.567  -4.683  -1.915
  229   HD13  ILE  33          HD13      ILE  33  -3.558  -3.696  -2.989
  230    H    ASP  34           H        ASP  34  -3.554   0.462  -0.085
  231    HA   ASP  34           HA       ASP  34  -4.569   0.105   2.461
  232    HB2  ASP  34           HB3      ASP  34  -3.165   2.002   1.940
  233    H    ALA  35           H        ALA  35  -6.180   0.892  -0.510
  234    HA   ALA  35           HA       ALA  35  -8.691   1.580   0.730
  235    HB1  ALA  35           HB1      ALA  35  -9.536   1.731  -1.547
  236    HB2  ALA  35           HB2      ALA  35  -8.001   2.587  -1.401
  237    HB3  ALA  35           HB3      ALA  35  -8.055   0.996  -2.160
  238    H    MET  36           H        MET  36  -7.122  -1.274  -0.447
  239    HA   MET  36           HA       MET  36  -9.400  -2.868  -0.930
  240    HB2  MET  36           HB3      MET  36  -6.593  -3.653  -0.130
  241    HG2  MET  36           HG3      MET  36  -7.950  -3.596  -2.812
  242    HE1  MET  36           HE1      MET  36  -5.046  -5.039  -4.982
  243    HE2  MET  36           HE2      MET  36  -6.604  -4.213  -4.970
  244    HE3  MET  36           HE3      MET  36  -5.147  -3.355  -4.472
  245    H    LEU  37           H        LEU  37  -7.280  -2.588   1.909
  246    HA   LEU  37           HA       LEU  37  -8.958  -4.288   3.507
  247    HB2  LEU  37           HB3      LEU  37  -6.596  -2.536   4.150
  248    HG   LEU  37           HG       LEU  37  -6.854  -5.540   4.304
  249   HD11  LEU  37          HD11      LEU  37  -6.930  -4.924   2.001
  250   HD12  LEU  37          HD12      LEU  37  -5.603  -3.781   2.211
  251   HD13  LEU  37          HD13      LEU  37  -5.306  -5.512   2.361
  252   HD21  LEU  37          HD21      LEU  37  -4.471  -3.712   4.562
  253   HD22  LEU  37          HD22      LEU  37  -5.261  -4.571   5.885
  254   HD23  LEU  37          HD23      LEU  37  -4.436  -5.475   4.614
  255    H    GLU  38           H        GLU  38  -8.323  -0.806   3.331
  256    HA   GLU  38           HA       GLU  38  -9.894   0.034   5.461
  257    HB2  GLU  38           HB3      GLU  38  -8.387   1.525   4.244
  258    HG2  GLU  38           HG3      GLU  38 -11.227   2.497   4.035
  259    H    ARG  39           H        ARG  39 -10.799  -0.641   2.111
  260    HA   ARG  39           HA       ARG  39 -13.514   0.157   2.383
  261    HB2  ARG  39           HB3      ARG  39 -12.051  -1.537   0.366
  262    HG2  ARG  39           HG3      ARG  39 -11.828   1.021   0.432
  263    HD2  ARG  39           HD3      ARG  39 -13.662   2.091  -0.950
  264    HE   ARG  39           HE       ARG  39 -13.516   1.983   1.741
  265   HH11  ARG  39          HH12      ARG  39 -16.182   1.906  -0.497
  266   HH12  ARG  39          HH11      ARG  39 -17.282   2.692   0.585
  267   HH21  ARG  39          HH21      ARG  39 -14.954   3.023   3.173
  268   HH22  ARG  39          HH22      ARG  39 -16.584   3.327   2.672
  269    H    MET  40           H        MET  40 -11.908  -3.011   2.388
  270    HA   MET  40           HA       MET  40 -14.081  -4.673   2.633
  271    HB2  MET  40           HB3      MET  40 -11.690  -5.378   2.418
  272    HG2  MET  40           HG3      MET  40 -13.232  -6.672   4.656
  273    HE1  MET  40           HE1      MET  40 -11.045  -7.829   1.621
  274    HE2  MET  40           HE2      MET  40  -9.994  -6.654   2.410
  275    HE3  MET  40           HE3      MET  40  -9.567  -8.365   2.419
  276    H    GLU  41           H        GLU  41 -12.362  -2.970   5.225
  277    HA   GLU  41           HA       GLU  41 -14.233  -3.936   7.216
  278    HB2  GLU  41           HB3      GLU  41 -11.775  -3.653   7.653
  279    HG2  GLU  41           HG3      GLU  41 -13.549  -3.622   9.485
  280    H    ALA  42           H        ALA  42 -13.898  -1.217   5.147
  281    HA   ALA  42           HA       ALA  42 -15.032   0.860   6.546
  282    HB1  ALA  42           HB1      ALA  42 -15.438   0.130   3.649
  283    HB2  ALA  42           HB2      ALA  42 -15.861   1.685   4.365
  284    HB3  ALA  42           HB3      ALA  42 -14.176   1.167   4.315
  285    H    MET  43           H        MET  43 -16.530  -2.051   5.420
  286    HA   MET  43           HA       MET  43 -19.217  -1.015   5.887
  287    HB2  MET  43           HB3      MET  43 -19.982  -3.179   5.027
  288    HG2  MET  43           HG3      MET  43 -17.061  -3.849   4.732
  289    HE1  MET  43           HE1      MET  43 -20.325  -6.059   4.984
  290    HE2  MET  43           HE2      MET  43 -20.816  -4.675   4.010
  291    HE3  MET  43           HE3      MET  43 -20.707  -6.274   3.278
  292    H    GLY  44           H        GLY  44 -16.791  -2.983   7.386
  293    HA2  GLY  44           HA2      GLY  44 -16.942  -3.167   9.825
  294    HA3  GLY  44           HA3      GLY  44 -18.659  -3.498   9.617
  295    H    LYS  45           H        LYS  45 -15.574  -4.787   8.353
  296    HA   LYS  45           HA       LYS  45 -16.650  -7.440   8.191
  297    HB2  LYS  45           HB3      LYS  45 -14.930  -6.600   6.621
  298    HG2  LYS  45           HG3      LYS  45 -13.455  -8.524   6.592
  299    HD2  LYS  45           HD3      LYS  45 -16.255  -9.242   7.451
  300    HE2  LYS  45           HE3      LYS  45 -14.252 -10.780   5.806
  301    HZ1  LYS  45           HZ1      LYS  45 -16.521 -11.122   5.058
  302    HZ2  LYS  45           HZ2      LYS  45 -17.012 -11.495   6.635
  303    HZ3  LYS  45           HZ3      LYS  45 -15.934 -12.513   5.822
  304    H    VAL  46           H        VAL  46 -13.644  -6.486   9.862
  305    HA   VAL  46           HA       VAL  46 -14.611  -7.612  12.342
  306    HB   VAL  46           HB       VAL  46 -12.262  -8.878  10.921
  307   HG11  VAL  46          HG11      VAL  46 -11.731  -8.765  13.239
  308   HG12  VAL  46          HG12      VAL  46 -13.360  -9.259  13.698
  309   HG13  VAL  46          HG13      VAL  46 -12.281 -10.405  12.911
  310   HG21  VAL  46          HG21      VAL  46 -13.635 -10.921  11.030
  311   HG22  VAL  46          HG22      VAL  46 -14.967  -9.968  11.687
  312   HG23  VAL  46          HG23      VAL  46 -14.381  -9.657  10.054
  313    H    VAL  47           H        VAL  47 -11.180  -7.437  11.484
  314    HA   VAL  47           HA       VAL  47 -10.974  -4.863  12.863
  315    HB   VAL  47           HB       VAL  47 -10.600  -6.563  14.595
  316   HG11  VAL  47          HG11      VAL  47  -9.814  -8.420  13.319
  317   HG12  VAL  47          HG12      VAL  47  -8.420  -7.506  12.744
  318   HG13  VAL  47          HG13      VAL  47  -8.534  -7.965  14.443
  319   HG21  VAL  47          HG21      VAL  47  -8.097  -5.091  13.774
  320   HG22  VAL  47          HG22      VAL  47  -9.419  -4.441  14.745
  321   HG23  VAL  47          HG23      VAL  47  -8.422  -5.751  15.378
  322    H    ARG  48           H        ARG  48  -9.433  -3.540  12.066
  323    HA   ARG  48           HA       ARG  48  -7.439  -4.670  10.240
  324    HB2  ARG  48           HB3      ARG  48  -7.820  -2.703   8.715
  325    HG2  ARG  48           HG3      ARG  48 -10.222  -1.850   8.788
  326    HD2  ARG  48           HD3      ARG  48  -8.401  -0.872  10.979
  327    HE   ARG  48           HE       ARG  48 -10.738   0.264   9.758
  328   HH11  ARG  48          HH12      ARG  48  -7.700   0.961  11.312
  329   HH12  ARG  48          HH11      ARG  48  -8.188   2.533  11.848
  330   HH21  ARG  48          HH21      ARG  48 -11.388   2.336  10.456
  331   HH22  ARG  48          HH22      ARG  48 -10.284   3.318  11.360
  332    H    ILE  49           H        ILE  49  -5.647  -3.158   9.770
  333    HA   ILE  49           HA       ILE  49  -5.272  -1.050  11.761
  334    HB   ILE  49           HB       ILE  49  -3.251  -3.256  11.361
  335   HG12  ILE  49          HG13      ILE  49  -5.067  -2.667  13.709
  336   HG21  ILE  49          HG21      ILE  49  -2.065  -2.177  13.218
  337   HG22  ILE  49          HG22      ILE  49  -2.225  -1.105  11.827
  338   HG23  ILE  49          HG23      ILE  49  -3.272  -0.890  13.229
  339   HD11  ILE  49          HD11      ILE  49  -4.167  -4.684  14.718
  340   HD12  ILE  49          HD12      ILE  49  -3.009  -4.837  13.398
  341   HD13  ILE  49          HD13      ILE  49  -2.914  -3.464  14.501
  342    H    SER  50           H        SER  50  -4.935   0.654  10.473
  343    HA   SER  50           HA       SER  50  -3.628   0.434   7.928
  344    HB2  SER  50           HB3      SER  50  -3.923   2.887   7.823
  345    HG   SER  50           HG       SER  50  -3.653   3.101  10.206
  346    H    GLU  51           H        GLU  51  -1.520   0.537   7.531
  347    HA   GLU  51           HA       GLU  51   0.213   1.915   9.467
  348    HB2  GLU  51           HB3      GLU  51   0.443  -0.474   9.848
  349    HG2  GLU  51           HG3      GLU  51   2.825   0.468   8.270
  350    H    THR  52           H        THR  52   1.929   3.049   8.631
  351    HA   THR  52           HA       THR  52   2.124   3.151   5.691
  352    HB   THR  52           HB       THR  52   1.027   5.172   6.390
  353    HG1  THR  52           HG1      THR  52   3.765   5.841   6.005
  354   HG21  THR  52          HG21      THR  52   1.719   5.117   8.758
  355   HG22  THR  52          HG22      THR  52   1.978   6.700   8.025
  356   HG23  THR  52          HG23      THR  52   3.342   5.611   8.280
  357    H    SER  53           H        SER  53   4.047   2.508   5.010
  358    HA   SER  53           HA       SER  53   6.454   3.403   6.376
  359    HB2  SER  53           HB3      SER  53   5.854   0.469   5.915
  360    HG   SER  53           HG       SER  53   6.659   1.364   8.387
  361    H    GLU  54           H        GLU  54   8.294   3.422   5.062
  362    HA   GLU  54           HA       GLU  54   8.338   2.266   2.460
  363    HB2  GLU  54           HB3      GLU  54   6.775   4.103   2.006
  364    HG2  GLU  54           HG3      GLU  54   9.462   4.770   0.829
  365    H    GLY  55           H        GLY  55   9.595   5.283   3.904
  366    HA2  GLY  55           HA2      GLY  55  12.310   4.295   3.310
  367    HA3  GLY  55           HA3      GLY  55  11.864   5.990   3.439
  368    H    CYS  56           H        CYS  56  10.755   3.562   5.698
  369    HA   CYS  56           HA       CYS  56  11.070   3.300   7.935
  370    HB2  CYS  56           HB3      CYS  56  13.846   4.308   7.279
  371    HG   CYS  56           HG       CYS  56  14.399   1.349   7.838
  372    H    LEU  57           H        LEU  57  11.883   4.540   9.990
  373    HA   LEU  57           HA       LEU  57  12.082   7.349   9.919
  374    HB2  LEU  57           HB3      LEU  57   9.900   7.987  10.764
  375    HG   LEU  57           HG       LEU  57   9.191   5.871  11.838
  376   HD11  LEU  57          HD11      LEU  57   6.846   5.998  11.177
  377   HD12  LEU  57          HD12      LEU  57   7.553   7.606  11.342
  378   HD13  LEU  57          HD13      LEU  57   7.296   6.916   9.738
  379   HD21  LEU  57          HD21      LEU  57   8.087   4.193  10.275
  380   HD22  LEU  57          HD22      LEU  57   9.005   4.961   8.980
  381   HD23  LEU  57          HD23      LEU  57   9.849   4.197  10.325
  382    H    SER  58           H        SER  58  11.316   8.225  12.247
  383    HA   SER  58           HA       SER  58  12.913   6.738  14.113
  384    HB2  SER  58           HB3      SER  58  11.265   9.250  14.504
  385    HG   SER  58           HG       SER  58  12.955   9.604  13.071
  386    H    GLY  59           H        GLY  59   9.529   7.075  13.423
  387    HA2  GLY  59           HA2      GLY  59   7.652   6.168  14.397
  388    HA3  GLY  59           HA3      GLY  59   8.716   4.838  14.826
  389    H    SER  60           H        SER  60   8.643   8.213  15.928
  390    HA   SER  60           HA       SER  60   8.987   7.401  18.656
  391    HB2  SER  60           HB3      SER  60  10.015   9.466  17.830
  392    HG   SER  60           HG       SER  60   8.093  10.504  19.539
  393    H    CYS  61           H        CYS  61   6.317   8.302  16.619
  394    HA   CYS  61           HA       CYS  61   4.440   7.462  18.640
  395    HB2  CYS  61           HB3      CYS  61   3.131   9.552  18.613
  396    HG   CYS  61           HG       CYS  61   3.508  11.815  17.382
  397    H    LYS  62           H        LYS  62   2.090   8.047  17.687
  398    HA   LYS  62           HA       LYS  62   1.890   6.558  15.281
  399    HB2  LYS  62           HB3      LYS  62  -0.485   6.909  15.454
  400    HG2  LYS  62           HG3      LYS  62   0.110   8.981  17.556
  401    HD2  LYS  62           HD3      LYS  62  -2.331   9.298  17.577
  402    HE2  LYS  62           HE3      LYS  62  -1.531   6.449  18.152
  403    HZ1  LYS  62           HZ1      LYS  62  -3.917   6.855  18.301
  404    HZ2  LYS  62           HZ2      LYS  62  -3.647   8.142  19.366
  405    HZ3  LYS  62           HZ3      LYS  62  -3.251   6.565  19.829
  406    H    SER  63           H        SER  63   1.578   9.990  16.060
  407    HA   SER  63           HA       SER  63   0.709  10.895  13.561
  408    HB2  SER  63           HB3      SER  63   0.658  12.304  15.569
  409    HG   SER  63           HG       SER  63   1.536  14.200  14.607
  410    H    CYS  64           H        CYS  64   2.226  12.587  12.346
  411    HA   CYS  64           HA       CYS  64   4.745  11.190  11.718
  412    HB2  CYS  64           HB3      CYS  64   2.853  12.579   9.808
  413    HG   CYS  64           HG       CYS  64   1.610  10.219  10.166
  414    HA   PRO  65           HA       PRO  65   6.918  14.961  12.372
  415    HB2  PRO  65           HB3      PRO  65   8.757  14.928  10.354
  416    HG2  PRO  65           HG3      PRO  65   7.863  13.210   9.072
  417    HD2  PRO  65           HD3      PRO  65   6.283  11.748   9.912
  418    H    GLU  66           H        GLU  66   5.533  14.357   9.227
  419    HA   GLU  66           HA       GLU  66   5.118  17.239   8.897
  420    HB2  GLU  66           HB3      GLU  66   7.061  16.644   7.518
  421    HG2  GLU  66           HG3      GLU  66   6.316  17.389   5.341
  422    H    GLY  67           H        GLY  67   4.324  13.996   7.671
  423    HA2  GLY  67           HA2      GLY  67   1.993  13.282   7.807
  424    HA3  GLY  67           HA3      GLY  67   1.536  14.922   7.372
  425    H    LYS  68           H        LYS  68   3.548  15.185   5.293
  426    HA   LYS  68           HA       LYS  68   2.060  14.217   3.109
  427    HB2  LYS  68           HB3      LYS  68   3.493  16.198   2.960
  428    HG2  LYS  68           HG3      LYS  68   4.674  15.755   0.864
  429    HD2  LYS  68           HD3      LYS  68   1.998  14.373   1.036
  430    HE2  LYS  68           HE3      LYS  68   3.428  15.629  -1.302
  431    HZ1  LYS  68           HZ1      LYS  68   0.759  14.333  -1.159
  432    HZ2  LYS  68           HZ2      LYS  68   1.519  14.863  -2.573
  433    HZ3  LYS  68           HZ3      LYS  68   1.042  15.982  -1.398
  434    H    ALA  69           H        ALA  69   1.855  12.147   2.571
  435    HA   ALA  69           HA       ALA  69   4.238  10.552   2.138
  436    HB1  ALA  69           HB1      ALA  69   3.685  10.126   4.498
  437    HB2  ALA  69           HB2      ALA  69   2.084   9.571   4.007
  438    HB3  ALA  69           HB3      ALA  69   3.520   8.682   3.499
  439    H    ALA  70           H        ALA  70   3.480   8.251   1.368
  440    HA   ALA  70           HA       ALA  70   0.954   8.258  -0.043
  441    HB1  ALA  70           HB1      ALA  70   2.381   9.522  -1.574
  442    HB2  ALA  70           HB2      ALA  70   3.544   8.196  -1.590
  443    HB3  ALA  70           HB3      ALA  70   1.929   7.963  -2.261
  444    H    CYS  71           H        CYS  71   0.799   6.199  -1.435
  445    HA   CYS  71           HA       CYS  71   0.653   3.929  -1.423
  446    HB2  CYS  71           HB3      CYS  71   3.571   4.196  -0.673
  447    HG   CYS  71           HG       CYS  71   4.297   4.874  -3.029
  448    H    ARG  72           H        ARG  72  -0.793   3.877   0.360
  449    HA   ARG  72           HA       ARG  72   0.358   3.311   2.982
  450    HB2  ARG  72           HB3      ARG  72  -2.477   3.798   2.068
  451    HG2  ARG  72           HG3      ARG  72  -0.662   5.388   3.863
  452    HD2  ARG  72           HD3      ARG  72  -3.088   5.335   4.517
  453    HE   ARG  72           HE       ARG  72  -3.592   5.766   1.823
  454   HH11  ARG  72          HH12      ARG  72  -4.487   7.164   4.885
  455   HH12  ARG  72          HH11      ARG  72  -6.036   7.705   4.332
  456   HH21  ARG  72          HH21      ARG  72  -5.631   6.474   1.086
  457   HH22  ARG  72          HH22      ARG  72  -6.688   7.310   2.173
  458    H    GLN  73           H        GLN  73  -0.312   1.465   4.214
  459    HA   GLN  73           HA       GLN  73  -1.548  -0.743   2.767
  460    HB2  GLN  73           HB3      GLN  73   0.328  -2.269   3.475
  461    HG2  GLN  73           HG3      GLN  73   1.661   0.357   4.047
  462   HE21  GLN  73          HE22      GLN  73   3.709  -1.180   5.448
  463   HE22  GLN  73          HE21      GLN  73   4.800  -1.743   4.231
  464    H    GLU  74           H        GLU  74  -3.091  -1.465   4.091
  465    HA   GLU  74           HA       GLU  74  -2.735  -1.157   6.987
  466    HB2  GLU  74           HB3      GLU  74  -5.273  -2.240   5.895
  467    HG2  GLU  74           HG3      GLU  74  -4.739  -0.471   4.282
  468    H    TRP  75           H        TRP  75  -4.014  -2.996   8.215
  469    HA   TRP  75           HA       TRP  75  -3.125  -5.589   7.155
  470    HB2  TRP  75           HB3      TRP  75  -1.615  -4.801   8.964
  471    HD1  TRP  75           HD1      TRP  75  -4.398  -7.408   9.780
  472    HE1  TRP  75           HE1      TRP  75  -3.240  -9.612  10.418
  473    HE3  TRP  75           HE3      TRP  75   0.475  -5.890   9.458
  474    HZ2  TRP  75           HZ2      TRP  75  -0.612 -10.583  10.745
  475    HZ3  TRP  75           HZ3      TRP  75   2.251  -7.520   9.954
  476    HH2  TRP  75           HH2      TRP  75   1.716  -9.817  10.586
  477    H    TRP  76           H        TRP  76  -4.806  -6.899   6.851
  478    HA   TRP  76           HA       TRP  76  -7.259  -6.396   8.373
  479    HB2  TRP  76           HB3      TRP  76  -7.441  -6.456   5.910
  480    HD1  TRP  76           HD1      TRP  76  -9.855  -6.092   7.303
  481    HE1  TRP  76           HE1      TRP  76 -11.901  -7.652   7.362
  482    HE3  TRP  76           HE3      TRP  76  -7.615 -10.430   5.789
  483    HZ2  TRP  76           HZ2      TRP  76 -12.488 -10.361   6.832
  484    HZ3  TRP  76           HZ3      TRP  76  -8.987 -12.460   5.587
  485    HH2  TRP  76           HH2      TRP  76 -11.374 -12.426   6.099
  486    H    ALA  77           H        ALA  77  -8.006  -7.759   9.855
  487    HA   ALA  77           HA       ALA  77  -7.066 -10.517   9.906
  488    HB1  ALA  77           HB1      ALA  77  -5.449  -9.300  11.277
  489    HB2  ALA  77           HB2      ALA  77  -6.764  -8.677  12.276
  490    HB3  ALA  77           HB3      ALA  77  -6.418 -10.405  12.251
  491    H    LEU  78           H        LEU  78  -8.425 -11.935  10.963
  492    HA   LEU  78           HA       LEU  78 -11.115 -10.912  11.435
  493    HB2  LEU  78           HB3      LEU  78 -10.130 -13.759  11.249
  494    HG   LEU  78           HG       LEU  78 -11.477 -12.050   9.163
  495   HD11  LEU  78          HD11      LEU  78  -9.173 -11.757   8.961
  496   HD12  LEU  78          HD12      LEU  78  -8.829 -13.435   9.384
  497   HD13  LEU  78          HD13      LEU  78  -9.533 -13.046   7.815
  498   HD21  LEU  78          HD21      LEU  78 -12.618 -14.172   9.242
  499   HD22  LEU  78          HD22      LEU  78 -11.570 -14.128   7.823
  500   HD23  LEU  78          HD23      LEU  78 -11.080 -15.036   9.253
  501    H    ARG  79           H        ARG  79 -12.253 -12.561  13.161
  502    HA   ARG  79           HA       ARG  79 -11.230 -11.708  15.673
  503    HB2  ARG  79           HB3      ARG  79 -13.384 -13.742  15.066
  504    HG2  ARG  79           HG3      ARG  79 -13.675 -10.820  15.734
  505    HD2  ARG  79           HD3      ARG  79 -16.040 -11.200  15.255
  506    HE   ARG  79           HE       ARG  79 -14.905 -11.946  17.574
  507   HH11  ARG  79          HH12      ARG  79 -17.487 -13.312  15.678
  508   HH12  ARG  79          HH11      ARG  79 -18.320 -13.970  17.048
  509   HH21  ARG  79          HH21      ARG  79 -15.988 -12.808  19.383
  510   HH22  ARG  79          HH22      ARG  79 -17.466 -13.684  19.157