 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0105       0.534      2689.64       0.570
     ANGL bond angles (degs)        6406       2.000        1.27       0.794      8081.35       1.262
     TORS split-harmonic tors       1049       0.000       23.20       1.482         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.20                  3180.54       3.032
     TRIG.onal planes (angs)         110       2.000      0.0084       0.421        39.04       0.355
     PLAN general plane (angs)       666       5.000      0.0167       0.834      2316.06       3.478
     BCORrelations (angs*2)         4718      20.000       1.622       0.277      7226.80       1.532
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5121       4.000                             32143.12
     CHIRAL (gelly semiharmon)       584       5.000                                11.34
     SIM similarity restraint for NCS and/or TARGET                              13076.08
     OCCSUM restraint on sum of occupanies                                           0.00       as none defined
     DISTAN utility restraints interatomic distance                                  0.00       as none defined
     UTILANGLE utility angle restraints                                              0.00       as none defined
     UTILTOR utility restraints on torsion angles                                    0.00       as none defined
     Peptide omega torsion angles                           3.14 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         1 bond angles.  Worst is     5.4 sigs   135.13 degs B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)

 Weighted rms      0.0105         1.271  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.685       1.506      -0.179       0.039      -4.598    A|187:CB=CG (PRO)
       1.592       1.524      -0.068       0.020      -3.388    A|187:CA=C (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
     135.131     121.700     -13.431       2.500      -5.372    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
      98.111     111.000      12.889       2.700       4.774    B|222:N=CA=C (PHE)
      98.599     111.000      12.401       2.700       4.593    A|186:N=CA=C (HIS)
      98.832     111.000      12.168       2.700       4.507    A|86:N=CA=C (ASP)
     132.830     121.700     -11.130       2.500      -4.452    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
      99.096     111.000      11.904       2.700       4.409    B|218:N=CA=C (GLU)
     137.520     127.000     -10.520       2.400      -4.383    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     129.043     117.100     -11.943       2.800      -4.265    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     122.080     111.000     -11.080       2.700      -4.104    B|86:N=CA=C (ASP)
     131.786     121.700     -10.086       2.500      -4.034    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     128.250     117.100     -11.150       2.800      -3.982    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     113.794     121.100       7.306       1.900       3.845    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     131.272     121.700      -9.572       2.500      -3.829    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     100.736     111.000      10.264       2.700       3.802    A|93:N=CA=C (LEU)
     130.958     121.700      -9.258       2.500      -3.703    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     112.454     120.600       8.146       2.200       3.703    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     101.011     111.000       9.989       2.700       3.700    B|155:N=CA=C (TRP)
     130.939     121.700      -9.239       2.500      -3.696    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     124.825     119.300      -5.525       1.500      -3.684    B|18:C(VAL)=B|19:N(PRO)=B|19:CA(PRO)
     121.520     111.600      -9.920       2.700      -3.674    B|185:CB=CA=C (THR)
     116.983     110.600      -6.383       1.800      -3.546    B|89:N=CA=CB (GLU)
     130.537     121.700      -8.837       2.500      -3.535    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     120.244     111.000      -9.244       2.700      -3.424    A|239:N=CA=C (ASN)
     120.205     111.000      -9.205       2.700      -3.409    B|122:N=CA=C (LYS)
     120.193     111.000      -9.193       2.700      -3.405    B|239:N=CA=C (ASN)
     130.156     121.700      -8.456       2.500      -3.382    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
      99.747     103.800       4.053       1.200       3.378    B|187:CG=CD=N (PRO)
     120.622     113.400      -7.222       2.200      -3.283    B|178:CA=CB=CG (GLU)
     119.717     111.000      -8.717       2.700      -3.229    A|147:N=CA=C (LYS)
     122.716     115.300      -7.416       2.300      -3.224    B|215:CA=CB=CG (LEU)
     102.299     111.000       8.701       2.700       3.223    B|223:N=CA=C (MET)
     120.009     110.500      -9.509       3.000      -3.170    B|104:CD1=CG=CD2 (LEU)
     104.070     110.400       6.330       2.000       3.165    B|178:CB=CA=C (GLU)
     129.547     121.700      -7.847       2.500      -3.139    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     118.281     111.700      -6.581       2.100      -3.134    A|87:CB=CA=C (PRO)
     119.285     111.000      -8.285       2.700      -3.068    B|147:N=CA=C (LYS)
     116.061     110.300      -5.761       1.900      -3.032    A|154:N=CA=CB (THR)
     119.165     111.000      -8.165       2.700      -3.024    B|186:N=CA=C (HIS)
     104.272     112.100       7.828       2.600       3.011    A|216:N=CA=C (PRO)
     118.712     113.600      -5.112       1.700      -3.007    A|186:CA=CB=CG (HIS)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.646      90.000      87.354      20.000       4.368    B|81:CA=CB=CG=CD1 (PHE)
       8.076      90.000      81.924      20.000       4.096    B|53:CA=CB=CG=CD1 (TRP)
       9.100      90.000      80.900      20.000       4.045    A|53:CA=CB=CG=CD1 (TRP)
       9.277      90.000      80.723      20.000       4.036    A|81:CA=CB=CG=CD1 (PHE)
    -120.086    -180.000     -59.914      15.000      -3.994    A|60:N=CA=CB=CG (MET)
    -119.724     -60.000      59.724      15.000       3.982    A|220:N=CA=CB=CG (MET)
     119.228      60.000     -59.228      15.000      -3.949    B|220:CA=CB=CG=SD (MET)
    -120.846    -180.000     -59.154      15.000      -3.944    B|60:N=CA=CB=CG (MET)
     121.029     180.000      58.971      15.000       3.931    A|122:CA=CB=CG=CD (LYS)
      12.952      90.000      77.048      20.000       3.852    A|139:CA=CB=CG=CD1 (TYR)
     122.264     180.000      57.736      15.000       3.849    B|104:CA=CB=CG=CD2 (LEU)
    -117.495     -60.000      57.495      15.000       3.833    B|208:N=CA=CB=CG (LEU)
    -122.625    -180.000     -57.375      15.000      -3.825    A|230:N=CA=CB=CG (LYS)
      13.642      90.000      76.358      20.000       3.818    B|139:CA=CB=CG=CD1 (TYR)
    -122.800    -180.000     -57.200      15.000      -3.813    B|58:N=CA=CB=CG (LEU)
    -123.356    -180.000     -56.644      15.000      -3.776    B|20:N=CA=CB=CG (LEU)
    -123.985    -180.000     -56.015      15.000      -3.734    B|287:N=CA=CB=SG (CYS)
    -124.223    -180.000     -55.777      15.000      -3.718    A|287:N=CA=CB=SG (CYS)
     115.723      60.000     -55.723      15.000      -3.715    B|289:CA=CB=CG=CD2 (LEU)
     115.367      60.000     -55.367      15.000      -3.691    A|289:CA=CB=CG=CD2 (LEU)
    -126.497    -180.000     -53.503      15.000      -3.567    A|106:CA=CB=CG=CD (LYS)
     126.524     180.000      53.476      15.000       3.565    A|94:CA=CB=CG=CD (GLU)
    -126.763    -180.000     -53.237      15.000      -3.549    B|242:N=CA=CB=CG2 (THR)
    -113.140     -60.000      53.140      15.000       3.543    A|93:CA=CB=CG=CD2 (LEU)
    -127.436    -180.000     -52.564      15.000      -3.504    B|247:CA=CB=CG=CD2 (LEU)
     127.533     180.000      52.467      15.000       3.498    A|16:CG=CD=CE=NZ (LYS)
    -127.762    -180.000     -52.238      15.000      -3.483    B|9:N=CA=CB=CG (ARG)
     111.771      60.000     -51.771      15.000      -3.451    B|154:N=CA=CB=CG2 (THR)
    -128.399    -180.000     -51.601      15.000      -3.440    A|275:CA=CB=CG=CD (ARG)
    -128.590    -180.000     -51.410      15.000      -3.427    B|275:CA=CB=CG=CD (ARG)
    -128.605    -180.000     -51.395      15.000      -3.426    B|289:N=CA=CB=CG (LEU)
    -128.676    -180.000     -51.324      15.000      -3.422    A|289:N=CA=CB=CG (LEU)
       8.972      60.000      51.028      15.000       3.402    B|215:N=CA=CB=CG (LEU)
    -110.690     -60.000      50.690      15.000       3.379    A|206:CB=CG=CD=CE (LYS)
     110.580      60.000     -50.580      15.000      -3.372    B|204:CA=CB=CG1=CD1 (ILE)
     129.476     180.000      50.524      15.000       3.368    A|111:CA=CB=CG=CD2 (LEU)
    -110.504     -60.000      50.504      15.000       3.367    B|31:N=CA=CB=CG (LEU)
    -110.132     -60.000      50.132      15.000       3.342    B|206:CB=CG=CD=CE (LYS)
     130.145     180.000      49.855      15.000       3.324    B|111:CA=CB=CG=CD2 (LEU)
    -130.648    -180.000     -49.352      15.000      -3.290    A|58:N=CA=CB=CG (LEU)
    -131.254    -180.000     -48.746      15.000      -3.250    B|22:CG=CD=CE=NZ (LYS)
    -131.350    -180.000     -48.650      15.000      -3.243    A|122:N=CA=CB=CG (LYS)
    -131.482    -180.000     -48.518      15.000      -3.235    B|260:N=CA=CB=CG (MET)
    -108.308     -60.000      48.308      15.000       3.221    A|184:CB=CG=CD=NE (ARG)
    -132.156    -180.000     -47.844      15.000      -3.190    A|186:N=CA=CB=CG (HIS)
    -132.187    -180.000     -47.813      15.000      -3.188    A|31:N=CA=CB=CG (LEU)
    -132.847    -180.000     -47.153      15.000      -3.144    A|12:N=CA=CB=CG (LEU)
     107.147      60.000     -47.147      15.000      -3.143    B|217:CA=CB=CG=CD (GLU)
     -13.036     -60.000     -46.964      15.000      -3.131    B|12:CA=CB=CG=CD2 (LEU)
     133.129     180.000      46.871      15.000       3.125    B|223:CB=CG=SD=CE (MET)
     106.798      60.000     -46.798      15.000      -3.120    A|201:CG=CD=CE=NZ (LYS)
    -105.825     -60.000      45.825      15.000       3.055    B|181:N=CA=CB=CG (GLU)
    -134.187    -180.000     -45.813      15.000      -3.054    B|184:CB=CG=CD=NE (ARG)
    -105.540     -60.000      45.540      15.000       3.036    A|209:N=CA=CB=CG (GLU)
     105.443      60.000     -45.443      15.000      -3.030    B|201:CG=CD=CE=NZ (LYS)
    -134.844    -180.000     -45.156      15.000      -3.010    A|7:N=CA=CB=CG2 (THR)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.081       0.020       4.045    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.062       0.020       3.090    A|86:C=A|86:CA=A|86:O=A|87:N=A|87:CA=A|87:CD
       0.062       0.020       3.086    B|186:C=B|186:CA=B|186:O=B|187:N=B|187:CA=B|187:CD
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.392       3.270       0.878       0.200       4.389    A|185:C(THR)=A|186:O(HIS)
       3.054       3.870       0.816       0.200       4.078    B|215:CB(LEU)=B|216:CA(PRO)
       2.409       3.190       0.781       0.200       3.903    A|186:O(HIS)=A|187:CD(PRO)
       2.753       3.520       0.767       0.200       3.837    B|184:CG=NH1 (ARG)
       2.700       3.440       0.740       0.200       3.702    B|222:O(PHE)=B|223:CB(MET)
       2.850       3.590       0.740       0.200       3.698    A|111:CA=CD1 (LEU)
       2.830       3.570       0.740       0.200       3.698    B|18:CA(VAL)=B|19:CD(PRO)
       2.851       3.590       0.739       0.200       3.696    B|111:CA=CD1 (LEU)
       2.541       3.270       0.729       0.200       3.646    A|86:O(ASP)=A|87:C(PRO)
       2.829       3.540       0.711       0.200       3.554    B|122:CB=CE (LYS)
       2.730       3.440       0.710       0.200       3.548    A|93:O(LEU)=A|94:CB(GLU)
       3.160       3.860       0.700       0.200       3.500    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       3.161       3.860       0.699       0.200       3.494    A|215:CD2(LEU)=A|220:CG(MET)
       2.788       3.470       0.682       0.200       3.412    B|218:O(GLU)=B|219:CB(THR)
       2.604       3.270       0.666       0.200       3.329    A|216:C(PRO)=A|217:O(GLU)
       3.219       3.880       0.661       0.200       3.305    A|58:CD1(LEU)=A|207:CG2(ILE)
       3.160       3.820       0.660       0.200       3.300    A|215:CD2(LEU)=A|220:SD(MET)
       2.935       3.590       0.655       0.200       3.273    A|289:CA=CD1 (LEU)
       2.900       3.550       0.650       0.200       3.252    B|86:N(ASP)=B|87:CA(PRO)
       2.943       3.590       0.647       0.200       3.234    B|289:CA=CD1 (LEU)
       2.396       3.040       0.644       0.200       3.222    A|185:O(THR)=A|186:O(HIS)
       2.954       3.590       0.636       0.200       3.180    B|12:CA=CD2 (LEU)
       2.939       3.570       0.631       0.200       3.153    A|86:CA(ASP)=A|87:CD(PRO)
       2.963       3.590       0.627       0.200       3.137    B|31:CA=CD2 (LEU)
       2.833       3.460       0.627       0.200       3.137    B|185:O=CG2 (THR)
       2.963       3.590       0.627       0.200       3.136    A|31:CA=CD1 (LEU)
       3.253       3.880       0.627       0.200       3.135    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.980       3.590       0.610       0.200       3.052    B|104:CA=CD1 (LEU)
       2.839       3.440       0.601       0.200       3.003    A|86:OD1(ASP)=A|87:CB(PRO) symm: 1555=2675
 

  Have      0 atom centres with inverted chirality and 
            8 atom centres with approaching-planar chirality
  
 LSSR restraints for NCS
    Atoms that are pulled the hardest by LSSR NCS restraints: 
    (Consider whether side chain or residue NCS partners could be close yet 
     distinct. If so you may want to prune this out from the relevant NCS set.) 
       LSSR_grad_norm/           atom
    avg(LSSR_grad_norm)
             4.44                A|156:N (ASP)        
             4.37                B|31:CG (LEU)        
             4.35                B|156:N (ASP)        
             4.34                A|31:CG (LEU)        
             4.20                A|21:O (ILE)         
             4.13                A|28:N (LEU)         
             4.08                A|247:CA (LEU)       
             4.08                A|7:C (THR)          
             4.01                B|247:CA (LEU)       
             3.97                A|9:O (ARG)          
             3.97                B|28:N (LEU)         
             3.91                B|9:O (ARG)          
             3.89                B|204:CG1 (ILE)      
             3.77                A|204:CG1 (ILE)      
             3.58                B|61:CD1 (ILE)       
             3.57                A|61:CD1 (ILE)       
             3.27                A|204:CG2 (ILE)      
             3.21                B|247:CG (LEU)       
             3.19                B|204:CG2 (ILE)      
             3.09                B|28:CA (LEU)        
             3.07                A|247:CG (LEU)       
             3.05                A|80:O (PRO)         
             3.03                B|80:O (PRO)         
 LSSR restraints for NCS
    Atoms with the highest function contribution.
    (Shows atoms with most different local environment between related copies)
       %_max_LSSR_NCS_funct          atom
           100.00                B|23:OH (TYR)        
           100.00                A|23:OH (TYR)        
            97.01                B|28:CD1 (LEU)       
            97.01                A|28:CD1 (LEU)       
            95.38                A|35:CG (GLN)        
            95.38                B|35:CG (GLN)        
            93.84                B|154:CG2 (THR)      
            93.84                A|154:CG2 (THR)      
            90.70                A|31:CD2 (LEU)       
            90.70                B|31:CD2 (LEU)       
            90.25                A|247:CD2 (LEU)      
            90.25                B|247:CD2 (LEU)      
            89.20                A|260:CG (MET)       
            89.20                B|260:CG (MET)       
            89.02                B|104:CD1 (LEU)      
            89.02                A|104:CD1 (LEU)      
            88.10                A|230:CE (LYS)       
            88.10                B|230:CE (LYS)       
            87.76                B|177:OE1 (GLN)      
            87.76                A|177:OE1 (GLN)      
            87.69                A|260:CE (MET)       
            87.69                B|260:CE (MET)       
            85.99                B|104:CD2 (LEU)      
            85.99                A|104:CD2 (LEU)      
            85.84                A|177:NE2 (GLN)      
            85.84                B|177:NE2 (GLN)      
            85.74                B|234:CG (LYS)       
            85.74                A|234:CG (LYS)       
            85.66                B|35:OE1 (GLN)       
            85.66                A|35:OE1 (GLN)       
            85.66                A|31:CD1 (LEU)       
            85.66                B|31:CD1 (LEU)       
            85.55                B|116:OE1 (GLN)      
            85.55                A|116:OE1 (GLN)      
            85.52                B|234:CD (LYS)       
            85.52                A|234:CD (LYS)       
            85.36                A|22:CG (LYS)        
            85.36                B|22:CG (LYS)        
            85.25                B|120:OD2 (ASP)      
            85.25                A|120:OD2 (ASP)      
            83.66                A|154:OG1 (THR)      
            83.66                B|154:OG1 (THR)      
            83.48                B|230:CD (LYS)       
            83.48                A|230:CD (LYS)       
            83.13                A|116:NE2 (GLN)      
            83.13                B|116:NE2 (GLN)      
            82.83                B|26:OE2 (GLU)       
            82.83                A|26:OE2 (GLU)       
            81.92                A|28:CD2 (LEU)       
            81.92                B|28:CD2 (LEU)       
            81.90                B|120:OD1 (ASP)      
            81.90                A|120:OD1 (ASP)      
            80.83                B|247:CB (LEU)       
            80.83                A|247:CB (LEU)       
            79.59                A|26:OE1 (GLU)       
            79.59                B|26:OE1 (GLU)       
            79.17                A|230:NZ (LYS)       
            79.17                B|230:NZ (LYS)       
            77.38                A|230:CG (LYS)       
            77.38                B|230:CG (LYS)       
            76.35                B|98:OD2 (ASP)       
            76.35                A|98:OD2 (ASP)       
            75.85                A|9:CG (ARG)         
            75.85                B|9:CG (ARG)         
            74.21                A|35:NE2 (GLN)       
            74.21                B|35:NE2 (GLN)       
            74.02                B|9:CD (ARG)         
            74.02                A|9:CD (ARG)         
            72.02                A|98:OD1 (ASP)       
            72.02                B|98:OD1 (ASP)       
            71.58                B|22:CD (LYS)        
            71.58                A|22:CD (LYS)        
            70.87                A|28:CG (LEU)        
            70.87                B|28:CG (LEU)        
            70.66                A|247:CD1 (LEU)      
            70.66                B|247:CD1 (LEU)      
            69.35                A|9:NE (ARG)         
            69.35                B|9:NE (ARG)         
            69.10                B|23:CE1 (TYR)       
            69.10                A|23:CE1 (TYR)       
            68.61                A|234:CE (LYS)       
            68.61                B|234:CE (LYS)       
            67.00                B|98:CG (ASP)        
            67.00                A|98:CG (ASP)        
            64.53                A|9:CZ (ARG)         
            64.53                B|9:CZ (ARG)         
            62.62                B|10:CG (PRO)        
            62.62                A|10:CG (PRO)        
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.800
        13.0     A|186:O(HIS)        
        11.3     A|186:C(HIS)        
         9.1     A|187:CD(PRO)       
         8.8     A|217:O(GLU)        
         8.7     A|187:N(PRO)        
         8.0     A|186:CA(HIS)       
         7.9     A|86:CA(ASP)        
         7.5     A|187:CA(PRO)       
         7.4     A|215:CD2(LEU)      
         7.4     A|185:C(THR)        
         7.2     B|186:CA(HIS)       
         7.2     B|155:C(TRP)        
         7.2     B|215:CB(LEU)       
         7.0     B|215:CA(LEU)       
         6.8     A|86:O(ASP)         
         6.7     B|86:CA(ASP)        
         6.6     A|10:C(PRO)         
         6.3     B|222:O(PHE)        
         6.3     B|10:C(PRO)         
         6.2     A|109:CA(LEU)       
         6.2     A|87:C(PRO)         
         6.1     A|86:N(ASP)         
         5.9     A|185:O(THR)        
         5.9     A|186:N(HIS)        
         5.9     A|247:CD2(LEU)      
         5.8     A|87:CB(PRO)        
         5.8     A|85:C(ASN)         
         5.8     A|86:OD1(ASP)       
         5.8     B|187:CA(PRO)       
         5.8     A|187:C(PRO)        
         5.7     A|87:CA(PRO)        
         5.6     A|89:CG(GLU)        
         5.6     A|10:CA(PRO)        
         5.5     B|86:C(ASP)         
         5.5     B|186:C(HIS)        
         5.5     A|94:CB(GLU)        
         5.4     A|93:O(LEU)         
         5.3     A|11:C(PRO)         
         5.3     B|184:CG(ARG)       
         5.1     B|187:N(PRO)        
         5.1     B|10:CA(PRO)        
         5.1     B|89:CA(GLU)        
         5.0     B|12:CA(LEU)        
         5.0     B|86:N(ASP)         
         5.0     A|11:CA(PRO)        
         4.9     B|109:CA(LEU)       
         4.9     A|89:CB(GLU)        
         4.9     B|122:CB(LYS)       
         4.9     A|86:C(ASP)         
         4.9     B|87:CA(PRO)        
         4.8     B|156:N(ASP)        
         4.8     B|187:CD(PRO)       
         4.8     B|216:CA(PRO)       
         4.8     A|90:CG(PRO)        
         4.7     B|215:C(LEU)        
         4.7     B|222:C(PHE)        
         4.7     A|9:CA(ARG)         
         4.7     B|156:CA(ASP)       
         4.7     B|223:CB(MET)       
         4.6     A|93:C(LEU)         
         4.6     A|207:CG2(ILE)      
         4.5     B|9:CA(ARG)         
         4.5     A|90:CA(PRO)        
         4.5     B|104:CD1(LEU)      
         4.5     B|19:CD(PRO)        
         4.4     A|58:CD1(LEU)       
         4.4     B|90:C(PRO)         
         4.4     B|90:CA(PRO)        
         4.4     B|85:CA(ASN)        
         4.3     A|219:N(THR)        
         4.3     B|46:CA(TYR)        
         4.3     A|216:C(PRO)        
         4.3     A|46:CA(TYR)        
         4.3     B|90:CD(PRO)        
         4.3     B|18:CA(VAL)        
         4.3     B|155:CA(TRP)       
         4.2     A|90:O(PRO)         
         4.2     B|101:CA(PRO)       
         4.1     B|104:CA(LEU)       
         4.1     B|218:N(GLU)        
         4.1     A|11:N(PRO)         
         4.1     B|111:CA(LEU)       
         4.1     B|9:O(ARG)          
         4.0     A|247:CA(LEU)       
         4.0     B|84:C(VAL)         
         4.0     A|111:CA(LEU)       
         4.0     A|90:C(PRO)         
         4.0     B|178:CB(GLU)       
         4.0     A|216:CD(PRO)       
         4.0     B|243:CG1(VAL)      
         4.0     A|101:CA(PRO)       
         4.0     B|219:CB(THR)       
         4.0     A|84:C(VAL)         
         3.9     B|218:O(GLU)        
         3.9     B|114:CA(LEU)       
         3.9     B|185:O(THR)        
         3.9     A|220:SD(MET)       
         3.9     B|46:O(TYR)         
         3.8     B|11:CA(PRO)        
         3.8     B|184:NH1(ARG)      
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
