 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0107       0.547      2828.07       0.599
     ANGL bond angles (degs)        6406       2.000        1.32       0.825      8723.69       1.362
     TORS split-harmonic tors       1049       0.000       23.23       1.484         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.23                  3183.04       3.034
     TRIG.onal planes (angs)         110       2.000      0.0108       0.540        64.15       0.583
     PLAN general plane (angs)       666       5.000      0.0172       0.860      2463.91       3.700
     BCORrelations (angs*2)         4718      20.000       1.565       0.267      6726.31       1.426
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5161       4.000                             34293.09
     CHIRAL (gelly semiharmon)       584       5.000                                30.59
     SIM similarity restraint for NCS and/or TARGET                               6619.34
     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                           3.29 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         1 bond lengths. Worst is     5.9 sigs     1.74 Angs A|187:CB=CG (PRO)
 WARNING:         6 bond angles.  Worst is     6.4 sigs    93.72 degs A|186:N=CA=C (HIS)
 WARNING:         1 planes.       Worst is     5.6 sigs     0.11 Angs A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
 WARNING:         2 idealD contacts. Worst     5.4 sigs     2.75 Angs A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675

 Weighted rms      0.0107         1.321  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.735       1.506      -0.229       0.039      -5.880    A|187:CB=CG (PRO)
       1.416       1.336      -0.080       0.023      -3.469    A|185:C(THR)=A|186:N(HIS)
       1.658       1.495      -0.163       0.050      -3.260    B|187:CB=CG (PRO)
       1.396       1.338      -0.058       0.019      -3.075    B|186:C(HIS)=B|187:N(PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      93.724     111.000      17.276       2.700       6.398    A|186:N=CA=C (HIS)
      94.213     111.000      16.787       2.700       6.217    B|218:N=CA=C (GLU)
      94.938     111.000      16.062       2.700       5.949    A|86:N=CA=C (ASP)
     139.816     127.000     -12.816       2.400      -5.340    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
      96.797     111.000      14.203       2.700       5.260    B|222:N=CA=C (PHE)
     134.491     121.700     -12.791       2.500      -5.117    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     134.167     121.700     -12.467       2.500      -4.987    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     134.113     121.700     -12.413       2.500      -4.965    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     130.451     117.100     -13.351       2.800      -4.768    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     133.470     121.700     -11.770       2.500      -4.708    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     123.576     111.000     -12.576       2.700      -4.658    B|122:N=CA=C (LYS)
     124.069     112.100     -11.969       2.600      -4.603    A|87:N=CA=C (PRO)
     112.703     121.100       8.397       1.900       4.419    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     110.924     120.600       9.676       2.200       4.398    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     122.828     111.000     -11.828       2.700      -4.381    B|86:N=CA=C (ASP)
     100.839     112.100      11.261       2.600       4.331    A|216:N=CA=C (PRO)
     101.078     112.100      11.022       2.600       4.239    A|90:N=CA=C (PRO)
     123.051     110.500     -12.551       3.000      -4.184    B|104:CD1=CG=CD2 (LEU)
     118.094     110.600      -7.494       1.800      -4.163    A|9:N=CA=CB (ARG)
      99.841     111.000      11.159       2.700       4.133    B|155:N=CA=C (TRP)
     128.263     117.100     -11.163       2.800      -3.987    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     131.170     121.700      -9.470       2.500      -3.788    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     131.153     121.700      -9.453       2.500      -3.781    B|93:C(LEU)=B|94:N(GLU)=B|94:CA(GLU)
     112.213     120.100       7.887       2.100       3.756    B|215:CA=C=O (LEU)
     131.066     121.700      -9.366       2.500      -3.747    B|204:C(ILE)=B|205:N(GLN)=B|205:CA(GLN)
     131.039     121.700      -9.339       2.500      -3.736    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     130.860     121.700      -9.160       2.500      -3.664    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     117.149     110.600      -6.549       1.800      -3.638    B|89:N=CA=CB (GLU)
     120.688     111.000      -9.688       2.700      -3.588    A|147:N=CA=C (LYS)
     120.687     111.000      -9.687       2.700      -3.588    B|147:N=CA=C (LYS)
     130.653     121.700      -8.953       2.500      -3.581    A|204:C(ILE)=A|205:N(GLN)=A|205:CA(GLN)
     123.405     115.300      -8.105       2.300      -3.524    B|215:CA=CB=CG (LEU)
     126.888     117.100      -9.788       2.800      -3.496    B|186:CA(HIS)=B|186:C(HIS)=B|187:N(PRO)
     101.577     111.000       9.423       2.700       3.490    B|185:N=CA=C (THR)
     130.303     121.700      -8.603       2.500      -3.441    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     121.629     113.100      -8.529       2.500      -3.412    B|88:N=CA=C (GLY)
      98.893     102.600       3.707       1.100       3.370    A|187:N=CA=CB (PRO)
     130.098     121.700      -8.398       2.500      -3.359    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     119.865     111.000      -8.865       2.700      -3.283    B|186:N=CA=C (HIS)
     126.188     117.100      -9.088       2.800      -3.246    B|86:CA(ASP)=B|86:C(ASP)=B|87:N(PRO)
     129.626     121.700      -7.926       2.500      -3.170    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     120.374     113.400      -6.974       2.200      -3.170    A|9:CA=CB=CG (ARG)
     116.203     110.200      -6.003       1.900      -3.160    B|215:CB=CA=C (LEU)
     119.378     111.000      -8.378       2.700      -3.103    B|239:N=CA=C (ASN)
     129.418     121.700      -7.718       2.500      -3.087    B|214:C(SER)=B|215:N(LEU)=B|215:CA(LEU)
     104.228     110.400       6.172       2.000       3.086    B|20:N=CA=CB (LEU)
     116.566     110.400      -6.166       2.000      -3.083    B|217:CB=CA=C (GLU)
     116.514     110.400      -6.114       2.000      -3.057    B|89:CB=CA=C (GLU)
      99.635     103.300       3.665       1.200       3.054    B|187:N=CA=CB (PRO)
     119.232     111.000      -8.232       2.700      -3.049    A|239:N=CA=C (ASN)
     120.107     113.400      -6.707       2.200      -3.049    A|234:CA=CB=CG (LYS)
     116.142     111.000      -5.142       1.700      -3.025    B|104:CB=CG=CD1 (LEU)
     129.207     121.700      -7.507       2.500      -3.003    B|229:C(PHE)=B|230:N(LYS)=B|230:CA(LYS)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       3.380      90.000      86.620      20.000       4.331    B|81:CA=CB=CG=CD1 (PHE)
       8.198      90.000      81.802      20.000       4.090    A|81:CA=CB=CG=CD1 (PHE)
      10.010      90.000      79.990      20.000       4.000    B|53:CA=CB=CG=CD1 (TRP)
    -119.642     -60.000      59.642      15.000       3.976    B|184:CB=CG=CD=NE (ARG)
      10.676      90.000      79.324      20.000       3.966    A|53:CA=CB=CG=CD1 (TRP)
     118.370      60.000     -58.370      15.000      -3.891    B|289:CA=CB=CG=CD2 (LEU)
     121.755     180.000      58.245      15.000       3.883    B|217:N=CA=CB=CG (GLU)
     117.681      60.000     -57.681      15.000      -3.845    A|289:CA=CB=CG=CD2 (LEU)
      13.732      90.000      76.268      20.000       3.813    A|139:CA=CB=CG=CD1 (TYR)
      14.198      90.000      75.802      20.000       3.790    B|139:CA=CB=CG=CD1 (TYR)
     116.620      60.000     -56.620      15.000      -3.775    A|204:CA=CB=CG1=CD1 (ILE)
    -123.812    -180.000     -56.188      15.000      -3.746    B|287:N=CA=CB=SG (CYS)
    -124.959    -180.000     -55.041      15.000      -3.669    A|287:N=CA=CB=SG (CYS)
     125.206     180.000      54.794      15.000       3.653    B|220:CA=CB=CG=SD (MET)
    -114.409     -60.000      54.409      15.000       3.627    A|220:N=CA=CB=CG (MET)
    -126.206    -180.000     -53.794      15.000      -3.586    A|106:CA=CB=CG=CD (LYS)
     113.756      60.000     -53.756      15.000      -3.584    B|154:N=CA=CB=CG2 (THR)
    -126.591    -180.000     -53.409      15.000      -3.561    B|289:N=CA=CB=CG (LEU)
     126.704     180.000      53.296      15.000       3.553    B|57:N=CA=CB=CG2 (ILE)
       6.789      60.000      53.211      15.000       3.547    B|215:N=CA=CB=CG (LEU)
    -126.947    -180.000     -53.053      15.000      -3.537    A|289:N=CA=CB=CG (LEU)
     127.086     180.000      52.914      15.000       3.528    B|217:CA=CB=CG=CD (GLU)
    -127.097    -180.000     -52.903      15.000      -3.527    B|22:CG=CD=CE=NZ (LYS)
    -112.680     -60.000      52.680      15.000       3.512    A|93:CA=CB=CG=CD2 (LEU)
     112.654      60.000     -52.654      15.000      -3.510    A|234:CG=CD=CE=NZ (LYS)
     127.432     180.000      52.568      15.000       3.505    A|111:CA=CB=CG=CD2 (LEU)
     127.740     180.000      52.260      15.000       3.484    B|111:CA=CB=CG=CD2 (LEU)
    -128.160    -180.000     -51.840      15.000      -3.456    B|242:N=CA=CB=CG2 (THR)
     128.322     180.000      51.678      15.000       3.445    B|104:CA=CB=CG=CD2 (LEU)
    -128.702    -180.000     -51.298      15.000      -3.420    A|60:N=CA=CB=CG (MET)
    -158.253     -90.000      68.253      20.000       3.413    A|186:CA=CB=CG=ND1 (HIS)
    -129.294    -180.000     -50.706      15.000      -3.380    B|60:N=CA=CB=CG (MET)
    -110.694     -60.000      50.694      15.000       3.380    A|181:N=CA=CB=CG (GLU)
    -109.891     -60.000      49.891      15.000       3.326    A|206:CB=CG=CD=CE (LYS)
    -109.466     -60.000      49.466      15.000       3.298    B|181:N=CA=CB=CG (GLU)
    -109.408     -60.000      49.408      15.000       3.294    B|206:CB=CG=CD=CE (LYS)
    -109.001     -60.000      49.001      15.000       3.267    A|184:CB=CG=CD=NE (ARG)
     131.152     180.000      48.848      15.000       3.257    A|122:CA=CB=CG=CD (LYS)
    -131.278    -180.000     -48.722      15.000      -3.248    A|275:CA=CB=CG=CD (ARG)
    -108.683     -60.000      48.683      15.000       3.246    A|223:N=CA=CB=CG (MET)
     131.578     180.000      48.422      15.000       3.228    A|16:CG=CD=CE=NZ (LYS)
    -131.884    -180.000     -48.116      15.000      -3.208    B|275:CA=CB=CG=CD (ARG)
    -107.834     -60.000      47.834      15.000       3.189    A|230:N=CA=CB=CG (LYS)
    -132.568    -180.000     -47.432      15.000      -3.162    A|182:CA=CB=CG=CD2 (LEU)
     107.315      60.000     -47.315      15.000      -3.154    B|260:CA=CB=CG=SD (MET)
    -132.928    -180.000     -47.072      15.000      -3.138    B|182:CA=CB=CG=CD2 (LEU)
    -133.113    -180.000     -46.887      15.000      -3.126    A|12:N=CA=CB=CG (LEU)
    -133.374    -180.000     -46.626      15.000      -3.108    A|186:N=CA=CB=CG (HIS)
    -106.468     -60.000      46.468      15.000       3.098    B|12:N=CA=CB=CG (LEU)
    -133.651    -180.000     -46.349      15.000      -3.090    A|37:CB=CG=CD=NE (ARG)
    -106.136     -60.000      46.136      15.000       3.076    B|31:N=CA=CB=CG (LEU)
    -106.037     -60.000      46.037      15.000       3.069    B|41:CA=CB=CG=CD2 (LEU)
    -106.019     -60.000      46.019      15.000       3.068    A|209:N=CA=CB=CG (GLU)
     134.023     180.000      45.977      15.000       3.065    A|94:CA=CB=CG=CD (GLU)
    -105.702     -60.000      45.702      15.000       3.047    B|181:CA=CB=CG=CD (GLU)
    -134.408    -180.000     -45.592      15.000      -3.039    B|37:CB=CG=CD=NE (ARG)
    -134.499    -180.000     -45.501      15.000      -3.033    B|260:N=CA=CB=CG (MET)
    -105.191     -60.000      45.191      15.000       3.013    B|209:N=CA=CB=CG (GLU)
    -105.187     -60.000      45.187      15.000       3.012    A|41:CA=CB=CG=CD2 (LEU)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.113       0.020       5.633    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.061       0.020       3.067    A|185:C=A|185:CA=A|185:O=A|186:N=A|186:CA
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.752       3.840       1.088       0.200       5.441    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.870       3.880       1.010       0.200       5.049    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.868       3.860       0.992       0.200       4.960    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.301       3.270       0.969       0.200       4.845    A|185:C(THR)=A|186:O(HIS)
       2.542       3.440       0.898       0.200       4.492    B|222:O(PHE)=B|223:CB(MET)
       2.635       3.520       0.885       0.200       4.426    B|184:CG=NH1 (ARG)
       2.996       3.870       0.874       0.200       4.370    B|215:CB(LEU)=B|216:CA(PRO)
       2.182       3.040       0.858       0.200       4.289    A|216:O(PRO)=A|217:O(GLU)
       2.347       3.190       0.843       0.200       4.213    A|186:O(HIS)=A|187:CD(PRO)
       2.642       3.470       0.828       0.200       4.141    B|218:O(GLU)=B|219:CB(THR)
       2.442       3.270       0.828       0.200       4.140    A|90:O(PRO)=A|91:C(SER)
       2.637       3.460       0.823       0.200       4.115    B|185:O=CG2 (THR)
       2.243       3.040       0.797       0.200       3.984    B|219:O(THR)=B|222:O(PHE)
       3.079       3.860       0.781       0.200       3.907    A|215:CD2(LEU)=A|220:CG(MET)
       2.669       3.440       0.771       0.200       3.856    A|93:O(LEU)=A|94:CB(GLU)
       2.832       3.590       0.758       0.200       3.792    B|111:CA=CD1 (LEU)
       2.913       3.670       0.757       0.200       3.783    B|215:CB(LEU)=B|216:C(PRO)
       3.089       3.840       0.751       0.200       3.757    B|89:CG(GLU)=B|90:CD(PRO)
       2.839       3.590       0.751       0.200       3.757    A|111:CA=CD1 (LEU)
       2.823       3.570       0.747       0.200       3.737    B|18:CA(VAL)=B|19:CD(PRO)
       2.541       3.270       0.729       0.200       3.646    A|216:C(PRO)=A|217:O(GLU)
       2.814       3.540       0.726       0.200       3.632    B|122:CB=CE (LYS)
       3.160       3.880       0.720       0.200       3.600    A|58:CD2(LEU)=A|104:CD2(LEU)
       2.322       3.040       0.718       0.200       3.591    B|185:O(THR)=B|186:O(HIS)
       2.893       3.590       0.697       0.200       3.485    A|247:CA=CD2 (LEU)
       3.123       3.820       0.697       0.200       3.483    A|215:CD2(LEU)=A|220:SD(MET)
       3.175       3.860       0.685       0.200       3.427    A|201:CG(LYS)=A|220:CE(MET)
       2.248       2.920       0.672       0.200       3.359    A|186:N=O (HIS)
       2.919       3.590       0.671       0.200       3.357    B|31:CA=CD2 (LEU)
       2.728       3.390       0.662       0.200       3.312    B|57:C=CG2 (ILE)
       2.932       3.590       0.658       0.200       3.288    A|289:CA=CD1 (LEU)
       2.619       3.270       0.651       0.200       3.257    A|217:O(GLU)=A|218:C(GLU)
       2.940       3.590       0.650       0.200       3.252    B|289:CA=CD1 (LEU)
       3.229       3.870       0.641       0.200       3.204    B|186:CB(HIS)=B|187:CA(PRO)
       3.240       3.880       0.640       0.200       3.200    A|208:CD1(LEU)=A|215:CD2(LEU)
       3.030       3.670       0.640       0.200       3.199    A|38:CB(PRO)=B|9:CZ(ARG) symm: 1555=1556
       2.763       3.390       0.627       0.200       3.135    B|204:C=CG2 (ILE)
       2.765       3.390       0.625       0.200       3.123    A|204:C=CG2 (ILE)
       2.659       3.270       0.611       0.200       3.056    A|91:O(SER)=A|92:C(GLY)
       2.661       3.270       0.609       0.200       3.043    B|9:O(ARG)=B|10:C(PRO)
       2.432       3.040       0.608       0.200       3.041    A|86:O(ASP)=A|89:O(GLU)
       2.663       3.270       0.607       0.200       3.037    A|86:O(ASP)=A|87:C(PRO)
       2.986       3.590       0.604       0.200       3.021    B|12:CA=CD2 (LEU)
 

  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)
             5.45                B|178:O (GLU)        
             4.90                A|7:O (THR)          
             4.88                B|207:CG1 (ILE)      
             4.84                B|207:O (ILE)        
             4.79                B|207:CD1 (ILE)      
             4.77                A|183:CB (SER)       
             4.44                A|156:N (ASP)        
             4.39                B|156:N (ASP)        
             4.37                A|183:OG (SER)       
             4.31                B|178:CB (GLU)       
             3.96                A|183:CA (SER)       
             3.65                B|207:C (ILE)        
             3.64                B|178:C (GLU)        
             3.46                A|7:C (THR)          
             3.19                B|207:CA (ILE)       
 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
            97.79                B|35:CG (GLN)        
            97.79                A|35:CG (GLN)        
            94.72                A|154:CG2 (THR)      
            94.72                B|154:CG2 (THR)      
            89.96                A|35:OE1 (GLN)       
            89.96                B|35:OE1 (GLN)       
            88.99                B|234:CG (LYS)       
            88.99                A|234:CG (LYS)       
            88.99                A|177:NE2 (GLN)      
            88.99                B|177:NE2 (GLN)      
            87.98                B|104:CD1 (LEU)      
            87.98                A|104:CD1 (LEU)      
            87.35                B|177:OE1 (GLN)      
            87.35                A|177:OE1 (GLN)      
            86.40                A|104:CD2 (LEU)      
            86.40                B|104:CD2 (LEU)      
            85.94                A|260:CG (MET)       
            85.94                B|260:CG (MET)       
            85.76                B|22:CG (LYS)        
            85.76                A|22:CG (LYS)        
            85.59                A|154:OG1 (THR)      
            85.59                B|154:OG1 (THR)      
            84.37                B|234:CD (LYS)       
            84.37                A|234:CD (LYS)       
            83.57                B|26:OE2 (GLU)       
            83.57                A|26:OE2 (GLU)       
            78.44                B|260:CE (MET)       
            78.44                A|260:CE (MET)       
            77.87                B|26:OE1 (GLU)       
            77.87                A|26:OE1 (GLU)       
            72.14                A|181:OE1 (GLU)      
            72.14                B|181:OE1 (GLU)      
            71.01                B|35:NE2 (GLN)       
            71.01                A|35:NE2 (GLN)       
            70.96                B|22:CE (LYS)        
            70.96                A|22:CE (LYS)        
            70.87                B|178:OE2 (GLU)      
            67.40                B|178:CD (GLU)       
            62.39                B|178:OE1 (GLU)      
            60.87                B|234:CE (LYS)       
            60.87                A|234:CE (LYS)       
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.908
        16.8     A|186:O(HIS)        
        16.0     A|186:C(HIS)        
        13.5     A|187:CD(PRO)       
        13.1     A|217:O(GLU)        
        12.5     A|187:N(PRO)        
        11.0     A|89:CG(GLU)        
        10.5     A|186:CA(HIS)       
        10.2     B|222:O(PHE)        
        10.2     A|90:CG(PRO)        
        10.0     B|215:CB(LEU)       
         9.6     A|187:CA(PRO)       
         9.6     A|86:N(ASP)         
         9.5     A|185:C(THR)        
         9.4     A|90:O(PRO)         
         9.3     A|215:CD2(LEU)      
         8.7     A|247:CD2(LEU)      
         8.5     A|186:N(HIS)        
         8.4     B|215:CA(LEU)       
         8.1     A|86:CA(ASP)        
         7.4     B|155:C(TRP)        
         7.3     B|185:O(THR)        
         7.2     A|87:CB(PRO)        
         7.2     B|187:CA(PRO)       
         7.1     A|90:C(PRO)         
         7.0     A|91:C(SER)         
         6.9     A|216:O(PRO)        
         6.8     B|90:CD(PRO)        
         6.8     B|243:CG1(VAL)      
         6.6     B|86:CA(ASP)        
         6.5     A|85:C(ASN)         
         6.5     B|186:CA(HIS)       
         6.4     B|216:CA(PRO)       
         6.3     A|91:O(SER)         
         6.3     B|218:O(GLU)        
         6.3     B|186:C(HIS)        
         6.2     B|218:N(GLU)        
         6.2     A|93:O(LEU)         
         6.2     A|109:CA(LEU)       
         6.2     A|87:C(PRO)         
         6.1     B|184:CG(ARG)       
         6.1     B|223:CB(MET)       
         6.1     A|9:CA(ARG)         
         6.0     A|216:C(PRO)        
         6.0     A|187:C(PRO)        
         6.0     A|86:O(ASP)         
         5.9     B|122:N(LYS)        
         5.9     A|185:O(THR)        
         5.5     A|58:CD2(LEU)       
         5.5     B|187:N(PRO)        
         5.5     B|10:C(PRO)         
         5.5     B|219:O(THR)        
         5.4     B|9:CA(ARG)         
         5.4     B|247:CD1(LEU)      
         5.4     A|187:CB(PRO)       
         5.3     A|10:C(PRO)         
         5.3     B|90:C(PRO)         
         5.3     B|222:C(PHE)        
         5.3     B|86:C(ASP)         
         5.2     B|219:CB(THR)       
         5.2     A|90:CD(PRO)        
         5.2     B|204:C(ILE)        
         5.2     A|218:C(GLU)        
         5.2     B|104:CD1(LEU)      
         5.2     A|94:CB(GLU)        
         5.1     A|204:C(ILE)        
         5.1     A|188:N(VAL)        
         5.1     A|87:CA(PRO)        
         5.1     B|186:O(HIS)        
         5.1     B|122:CA(LYS)       
         5.0     B|218:CA(GLU)       
         5.0     A|10:CA(PRO)        
         5.0     B|86:N(ASP)         
         5.0     B|215:C(LEU)        
         5.0     B|122:CB(LYS)       
         4.8     B|10:CA(PRO)        
         4.8     B|89:CA(GLU)        
         4.8     A|219:N(THR)        
         4.8     B|109:CA(LEU)       
         4.7     B|218:C(GLU)        
         4.7     B|184:NH1(ARG)      
         4.6     B|12:CA(LEU)        
         4.6     B|9:O(ARG)          
         4.6     B|57:CG2(ILE)       
         4.5     A|247:CA(LEU)       
         4.5     B|85:CA(ASN)        
         4.5     A|11:CA(PRO)        
         4.5     B|185:CG2(THR)      
         4.5     B|155:CA(TRP)       
         4.4     B|90:CA(PRO)        
         4.4     B|185:C(THR)        
         4.4     A|84:C(VAL)         
         4.4     A|220:SD(MET)       
         4.4     B|18:CA(VAL)        
         4.4     A|90:CA(PRO)        
         4.3     B|101:CA(PRO)       
         4.3     A|215:CA(LEU)       
         4.3     A|104:CD2(LEU)      
         4.2     A|187:CG(PRO)       
         4.2     B|222:CA(PHE)       
         4.2     B|87:CA(PRO)        
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
