 
 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       0.537      2718.77       0.576
     ANGL bond angles (degs)        6406       2.000        1.28       0.797      8143.35       1.271
     TORS split-harmonic tors       1049       0.000       23.19       1.482         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.19                  3180.35       3.032
     TRIG.onal planes (angs)         110       2.000      0.0084       0.421        39.05       0.355
     PLAN general plane (angs)       666       5.000      0.0167       0.835      2319.29       3.482
     BCORrelations (angs*2)         4718      20.000       1.626       0.277      7265.56       1.540
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5120       4.000                             32153.11
     CHIRAL (gelly semiharmon)       584       5.000                                11.21
     SIM similarity restraint for NCS and/or TARGET                              13164.37
     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         1.276  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.686       1.506      -0.180       0.039      -4.612    A|187:CB=CG (PRO)
       1.591       1.524      -0.067       0.020      -3.344    A|187:CA=C (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
     135.134     121.700     -13.434       2.500      -5.374    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
      98.100     111.000      12.900       2.700       4.778    B|222:N=CA=C (PHE)
      98.634     111.000      12.366       2.700       4.580    A|186:N=CA=C (HIS)
     129.872     117.100     -12.772       2.800      -4.561    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
      98.837     111.000      12.163       2.700       4.505    A|86:N=CA=C (ASP)
     132.869     121.700     -11.169       2.500      -4.468    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     125.991     119.300      -6.691       1.500      -4.460    B|18:C(VAL)=B|19:N(PRO)=B|19:CA(PRO)
      99.105     111.000      11.895       2.700       4.405    B|218:N=CA=C (GLU)
     137.387     127.000     -10.387       2.400      -4.328    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     122.033     111.000     -11.033       2.700      -4.086    B|86:N=CA=C (ASP)
     131.738     121.700     -10.038       2.500      -4.015    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     128.340     117.100     -11.240       2.800      -4.014    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     113.716     121.100       7.384       1.900       3.886    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     131.274     121.700      -9.574       2.500      -3.830    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     100.737     111.000      10.263       2.700       3.801    A|93:N=CA=C (LEU)
     130.986     121.700      -9.286       2.500      -3.714    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     100.987     111.000      10.013       2.700       3.708    B|155:N=CA=C (TRP)
     130.940     121.700      -9.240       2.500      -3.696    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     112.534     120.600       8.066       2.200       3.667    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     121.496     111.600      -9.896       2.700      -3.665    B|185:CB=CA=C (THR)
     117.112     110.600      -6.512       1.800      -3.618    B|89:N=CA=CB (GLU)
      99.566     103.800       4.234       1.200       3.528    B|187:CG=CD=N (PRO)
     130.516     121.700      -8.816       2.500      -3.527    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     120.249     111.000      -9.249       2.700      -3.425    A|239:N=CA=C (ASN)
     120.245     111.000      -9.245       2.700      -3.424    B|122:N=CA=C (LYS)
     120.200     111.000      -9.200       2.700      -3.408    B|239:N=CA=C (ASN)
     130.111     121.700      -8.411       2.500      -3.364    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     120.643     113.400      -7.243       2.200      -3.292    B|178:CA=CB=CG (GLU)
     127.789     120.600      -7.189       2.200      -3.268    B|86:C(ASP)=B|87:N(PRO)=B|87:CD(PRO)
     121.592     128.400       6.808       2.100       3.242    B|18:C(VAL)=B|19:N(PRO)=B|19:CD(PRO)
     122.721     115.300      -7.421       2.300      -3.226    B|215:CA=CB=CG (LEU)
     102.300     111.000       8.700       2.700       3.222    B|223:N=CA=C (MET)
     119.698     111.000      -8.698       2.700      -3.221    A|147:N=CA=C (LYS)
     126.090     117.100      -8.990       2.800      -3.211    B|86:CA(ASP)=B|86:C(ASP)=B|87:N(PRO)
     120.012     110.500      -9.512       3.000      -3.171    B|104:CD1=CG=CD2 (LEU)
     104.086     110.400       6.314       2.000       3.157    B|178:CB=CA=C (GLU)
     129.540     121.700      -7.840       2.500      -3.136    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     118.250     111.700      -6.550       2.100      -3.119    A|87:CB=CA=C (PRO)
     119.421     111.000      -8.421       2.700      -3.119    B|186:N=CA=C (HIS)
     119.277     111.000      -8.277       2.700      -3.065    B|147:N=CA=C (LYS)
      99.265     102.600       3.335       1.100       3.032    A|187:N=CA=CB (PRO)
     104.221     112.100       7.879       2.600       3.031    A|216:N=CA=C (PRO)
     116.030     110.300      -5.730       1.900      -3.016    A|154:N=CA=CB (THR)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.639      90.000      87.361      20.000       4.368    B|81:CA=CB=CG=CD1 (PHE)
       8.084      90.000      81.916      20.000       4.096    B|53:CA=CB=CG=CD1 (TRP)
       9.104      90.000      80.896      20.000       4.045    A|53:CA=CB=CG=CD1 (TRP)
       9.284      90.000      80.716      20.000       4.036    A|81:CA=CB=CG=CD1 (PHE)
    -120.091    -180.000     -59.909      15.000      -3.994    A|60:N=CA=CB=CG (MET)
    -119.706     -60.000      59.706      15.000       3.980    A|220:N=CA=CB=CG (MET)
     119.236      60.000     -59.236      15.000      -3.949    B|220:CA=CB=CG=SD (MET)
    -120.859    -180.000     -59.141      15.000      -3.943    B|60:N=CA=CB=CG (MET)
     121.050     180.000      58.950      15.000       3.930    A|122:CA=CB=CG=CD (LYS)
      12.947      90.000      77.053      20.000       3.853    A|139:CA=CB=CG=CD1 (TYR)
     122.260     180.000      57.740      15.000       3.849    B|104:CA=CB=CG=CD2 (LEU)
    -117.507     -60.000      57.507      15.000       3.834    B|208:N=CA=CB=CG (LEU)
    -122.516    -180.000     -57.484      15.000      -3.832    A|230:N=CA=CB=CG (LYS)
      13.642      90.000      76.358      20.000       3.818    B|139:CA=CB=CG=CD1 (TYR)
    -122.792    -180.000     -57.208      15.000      -3.814    B|58:N=CA=CB=CG (LEU)
    -123.396    -180.000     -56.604      15.000      -3.774    B|20:N=CA=CB=CG (LEU)
    -124.007    -180.000     -55.993      15.000      -3.733    B|287:N=CA=CB=SG (CYS)
    -124.199    -180.000     -55.801      15.000      -3.720    A|287:N=CA=CB=SG (CYS)
     115.726      60.000     -55.726      15.000      -3.715    B|289:CA=CB=CG=CD2 (LEU)
     115.347      60.000     -55.347      15.000      -3.690    A|289:CA=CB=CG=CD2 (LEU)
    -126.496    -180.000     -53.504      15.000      -3.567    A|106:CA=CB=CG=CD (LYS)
     126.553     180.000      53.447      15.000       3.563    A|94:CA=CB=CG=CD (GLU)
    -126.755    -180.000     -53.245      15.000      -3.550    B|242:N=CA=CB=CG2 (THR)
    -113.128     -60.000      53.128      15.000       3.542    A|93:CA=CB=CG=CD2 (LEU)
    -127.311    -180.000     -52.689      15.000      -3.513    B|247:CA=CB=CG=CD2 (LEU)
     127.527     180.000      52.473      15.000       3.498    A|16:CG=CD=CE=NZ (LYS)
    -127.741    -180.000     -52.259      15.000      -3.484    B|9:N=CA=CB=CG (ARG)
     111.728      60.000     -51.728      15.000      -3.449    B|154:N=CA=CB=CG2 (THR)
    -128.401    -180.000     -51.599      15.000      -3.440    A|275:CA=CB=CG=CD (ARG)
    -128.566    -180.000     -51.434      15.000      -3.429    B|289:N=CA=CB=CG (LEU)
    -128.598    -180.000     -51.402      15.000      -3.427    B|275:CA=CB=CG=CD (ARG)
    -128.684    -180.000     -51.316      15.000      -3.421    A|289:N=CA=CB=CG (LEU)
       9.006      60.000      50.994      15.000       3.400    B|215:N=CA=CB=CG (LEU)
    -110.687     -60.000      50.687      15.000       3.379    A|206:CB=CG=CD=CE (LYS)
     129.483     180.000      50.517      15.000       3.368    A|111:CA=CB=CG=CD2 (LEU)
     110.417      60.000     -50.417      15.000      -3.361    B|204:CA=CB=CG1=CD1 (ILE)
    -110.247     -60.000      50.247      15.000       3.350    B|31:N=CA=CB=CG (LEU)
    -110.136     -60.000      50.136      15.000       3.342    B|206:CB=CG=CD=CE (LYS)
     130.156     180.000      49.844      15.000       3.323    B|111:CA=CB=CG=CD2 (LEU)
    -130.691    -180.000     -49.309      15.000      -3.287    A|58:N=CA=CB=CG (LEU)
    -131.286    -180.000     -48.714      15.000      -3.248    B|22:CG=CD=CE=NZ (LYS)
    -131.350    -180.000     -48.650      15.000      -3.243    A|122:N=CA=CB=CG (LYS)
    -131.465    -180.000     -48.535      15.000      -3.236    B|260:N=CA=CB=CG (MET)
    -108.263     -60.000      48.263      15.000       3.218    A|184:CB=CG=CD=NE (ARG)
    -132.164    -180.000     -47.836      15.000      -3.189    A|186:N=CA=CB=CG (HIS)
    -132.455    -180.000     -47.545      15.000      -3.170    A|31:N=CA=CB=CG (LEU)
    -132.850    -180.000     -47.150      15.000      -3.143    A|12:N=CA=CB=CG (LEU)
     107.114      60.000     -47.114      15.000      -3.141    B|217:CA=CB=CG=CD (GLU)
     -13.004     -60.000     -46.996      15.000      -3.133    B|12:CA=CB=CG=CD2 (LEU)
     133.138     180.000      46.862      15.000       3.124    B|223:CB=CG=SD=CE (MET)
     106.797      60.000     -46.797      15.000      -3.120    A|201:CG=CD=CE=NZ (LYS)
    -105.816     -60.000      45.816      15.000       3.054    B|181:N=CA=CB=CG (GLU)
    -134.249    -180.000     -45.751      15.000      -3.050    B|184:CB=CG=CD=NE (ARG)
    -105.547     -60.000      45.547      15.000       3.036    A|209:N=CA=CB=CG (GLU)
     105.426      60.000     -45.426      15.000      -3.028    B|201:CG=CD=CE=NZ (LYS)
    -134.837    -180.000     -45.163      15.000      -3.011    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       4.031    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.062       0.020       3.100    A|86:C=A|86:CA=A|86:O=A|87:N=A|87:CA=A|87:CD
       0.061       0.020       3.045    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)
       3.053       3.870       0.817       0.200       4.083    B|215:CB(LEU)=B|216:CA(PRO)
       2.408       3.190       0.782       0.200       3.908    A|186:O(HIS)=A|187:CD(PRO)
       2.755       3.520       0.765       0.200       3.823    B|184:CG=NH1 (ARG)
       2.828       3.570       0.742       0.200       3.710    B|18:CA(VAL)=B|19:CD(PRO)
       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    B|111:CA=CD1 (LEU)
       2.850       3.590       0.740       0.200       3.698    A|111:CA=CD1 (LEU)
       2.540       3.270       0.730       0.200       3.648    A|86:O(ASP)=A|87:C(PRO)
       2.829       3.540       0.711       0.200       3.556    B|122:CB=CE (LYS)
       2.730       3.440       0.710       0.200       3.549    A|93:O(LEU)=A|94:CB(GLU)
       3.160       3.860       0.700       0.200       3.501    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       3.161       3.860       0.699       0.200       3.496    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       3.328    A|216:C(PRO)=A|217:O(GLU)
       3.219       3.880       0.661       0.200       3.307    A|58:CD1(LEU)=A|207:CG2(ILE)
       3.159       3.820       0.661       0.200       3.303    A|215:CD2(LEU)=A|220:SD(MET)
       2.935       3.590       0.655       0.200       3.274    A|289:CA=CD1 (LEU)
       2.897       3.550       0.653       0.200       3.265    B|86:N(ASP)=B|87:CA(PRO)
       2.943       3.590       0.647       0.200       3.234    B|289:CA=CD1 (LEU)
       2.395       3.040       0.645       0.200       3.224    A|185:O(THR)=A|186:O(HIS)
       2.954       3.590       0.636       0.200       3.182    B|12:CA=CD2 (LEU)
       2.938       3.570       0.632       0.200       3.161    A|86:CA(ASP)=A|87:CD(PRO)
       2.962       3.590       0.628       0.200       3.141    A|31:CA=CD1 (LEU)
       2.962       3.590       0.628       0.200       3.138    B|31:CA=CD2 (LEU)
       3.253       3.880       0.627       0.200       3.137    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.833       3.460       0.627       0.200       3.137    B|185:O=CG2 (THR)
       2.979       3.590       0.611       0.200       3.053    B|104:CA=CD1 (LEU)
       2.839       3.440       0.601       0.200       3.006    A|86:OD1(ASP)=A|87:CB(PRO) symm: 1555=2675
       2.990       3.590       0.600       0.200       3.002    B|208:CA=CD1 (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)
             4.41                A|28:N (LEU)         
             4.41                A|156:N (ASP)        
             4.33                B|156:N (ASP)        
             4.32                B|31:CG (LEU)        
             4.30                A|31:CG (LEU)        
             4.25                B|28:N (LEU)         
             4.17                A|21:O (ILE)         
             4.16                A|247:CA (LEU)       
             4.09                B|247:CA (LEU)       
             4.04                A|7:C (THR)          
             3.97                A|9:O (ARG)          
             3.91                B|9:O (ARG)          
             3.85                B|204:CG1 (ILE)      
             3.74                A|204:CG1 (ILE)      
             3.56                B|61:CD1 (ILE)       
             3.56                A|61:CD1 (ILE)       
             3.27                A|204:CG2 (ILE)      
             3.24                B|28:CA (LEU)        
             3.19                B|247:CG (LEU)       
             3.19                B|204:CG2 (ILE)      
             3.06                A|28:CA (LEU)        
             3.05                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)        
            97.02                A|28:CD1 (LEU)       
            97.02                B|28:CD1 (LEU)       
            95.39                A|35:CG (GLN)        
            95.39                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)       
            90.29                B|247:CD2 (LEU)      
            90.29                A|247:CD2 (LEU)      
            89.19                A|260:CG (MET)       
            89.19                B|260:CG (MET)       
            89.02                B|104:CD1 (LEU)      
            89.02                A|104:CD1 (LEU)      
            88.21                A|230:CE (LYS)       
            88.21                B|230:CE (LYS)       
            87.77                A|177:OE1 (GLN)      
            87.77                B|177:OE1 (GLN)      
            87.69                A|260:CE (MET)       
            87.69                B|260:CE (MET)       
            85.98                A|104:CD2 (LEU)      
            85.98                B|104:CD2 (LEU)      
            85.83                A|177:NE2 (GLN)      
            85.83                B|177:NE2 (GLN)      
            85.74                A|234:CG (LYS)       
            85.74                B|234:CG (LYS)       
            85.69                A|31:CD1 (LEU)       
            85.69                B|31:CD1 (LEU)       
            85.67                B|35:OE1 (GLN)       
            85.67                A|35:OE1 (GLN)       
            85.59                B|116:OE1 (GLN)      
            85.59                A|116:OE1 (GLN)      
            85.52                B|234:CD (LYS)       
            85.52                A|234:CD (LYS)       
            85.36                B|22:CG (LYS)        
            85.36                A|22:CG (LYS)        
            85.26                B|120:OD2 (ASP)      
            85.26                A|120:OD2 (ASP)      
            83.66                B|154:OG1 (THR)      
            83.66                A|154:OG1 (THR)      
            83.57                A|230:CD (LYS)       
            83.57                B|230:CD (LYS)       
            83.21                B|116:NE2 (GLN)      
            83.21                A|116:NE2 (GLN)      
            82.85                B|26:OE2 (GLU)       
            82.85                A|26:OE2 (GLU)       
            82.10                A|120:OD1 (ASP)      
            82.10                B|120:OD1 (ASP)      
            81.95                A|28:CD2 (LEU)       
            81.95                B|28:CD2 (LEU)       
            80.86                B|247:CB (LEU)       
            80.86                A|247:CB (LEU)       
            79.58                A|26:OE1 (GLU)       
            79.58                B|26:OE1 (GLU)       
            79.32                B|230:NZ (LYS)       
            79.32                A|230:NZ (LYS)       
            77.65                A|230:CG (LYS)       
            77.65                B|230:CG (LYS)       
            76.48                B|98:OD2 (ASP)       
            76.48                A|98:OD2 (ASP)       
            75.88                A|9:CG (ARG)         
            75.88                B|9:CG (ARG)         
            74.22                A|35:NE2 (GLN)       
            74.22                B|35:NE2 (GLN)       
            74.01                A|9:CD (ARG)         
            74.01                B|9:CD (ARG)         
            72.08                B|98:OD1 (ASP)       
            72.08                A|98:OD1 (ASP)       
            71.65                B|22:CD (LYS)        
            71.65                A|22:CD (LYS)        
            71.07                A|28:CG (LEU)        
            71.07                B|28:CG (LEU)        
            70.73                A|247:CD1 (LEU)      
            70.73                B|247:CD1 (LEU)      
            69.57                A|9:NE (ARG)         
            69.57                B|9:NE (ARG)         
            69.10                B|23:CE1 (TYR)       
            69.10                A|23:CE1 (TYR)       
            68.68                A|234:CE (LYS)       
            68.68                B|234:CE (LYS)       
            67.08                B|98:CG (ASP)        
            67.08                A|98:CG (ASP)        
            64.63                A|9:CZ (ARG)         
            64.63                B|9:CZ (ARG)         
            62.83                A|10:CG (PRO)        
            62.83                B|10:CG (PRO)        
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.799
        13.0     A|186:O(HIS)        
        11.3     A|186:C(HIS)        
         9.1     A|187:CD(PRO)       
         8.8     A|217:O(GLU)        
         8.8     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)        
         7.4     B|186:CA(HIS)       
         7.2     B|155:C(TRP)        
         7.1     B|215:CB(LEU)       
         7.1     B|215:CA(LEU)       
         6.8     A|86:O(ASP)         
         6.7     B|86:CA(ASP)        
         6.5     A|10:C(PRO)         
         6.3     B|222:O(PHE)        
         6.3     B|10:C(PRO)         
         6.3     A|87:C(PRO)         
         6.2     A|109:CA(LEU)       
         6.1     A|86:N(ASP)         
         6.0     B|186:C(HIS)        
         6.0     B|187:CA(PRO)       
         5.9     A|185:O(THR)        
         5.9     A|247:CD2(LEU)      
         5.9     A|186:N(HIS)        
         5.8     A|87:CB(PRO)        
         5.8     B|86:C(ASP)         
         5.8     A|85:C(ASN)         
         5.8     A|86:OD1(ASP)       
         5.8     A|187:C(PRO)        
         5.8     A|87:CA(PRO)        
         5.8     B|187:N(PRO)        
         5.6     A|89:CG(GLU)        
         5.6     A|10:CA(PRO)        
         5.5     A|94:CB(GLU)        
         5.4     A|93:O(LEU)         
         5.3     B|184:CG(ARG)       
         5.3     A|11:C(PRO)         
         5.2     B|89:CA(GLU)        
         5.1     B|215:C(LEU)        
         5.1     B|10:CA(PRO)        
         5.1     B|12:CA(LEU)        
         5.0     A|11:CA(PRO)        
         5.0     B|86:N(ASP)         
         5.0     B|87:CA(PRO)        
         5.0     B|187:CD(PRO)       
         5.0     B|109:CA(LEU)       
         4.9     A|89:CB(GLU)        
         4.9     A|86:C(ASP)         
         4.9     B|122:CB(LYS)       
         4.9     B|216:CA(PRO)       
         4.8     B|156:N(ASP)        
         4.8     A|90:CG(PRO)        
         4.7     B|222:C(PHE)        
         4.7     B|156:CA(ASP)       
         4.7     A|9:CA(ARG)         
         4.7     B|223:CB(MET)       
         4.7     A|93:C(LEU)         
         4.6     B|19:CD(PRO)        
         4.6     A|207:CG2(ILE)      
         4.5     A|90:CA(PRO)        
         4.5     B|90:C(PRO)         
         4.5     B|9:CA(ARG)         
         4.5     B|90:CA(PRO)        
         4.5     B|104:CD1(LEU)      
         4.4     B|85:CA(ASN)        
         4.4     A|58:CD1(LEU)       
         4.3     A|219:N(THR)        
         4.3     A|216:C(PRO)        
         4.3     B|46:CA(TYR)        
         4.3     A|46:CA(TYR)        
         4.3     B|18:CA(VAL)        
         4.3     B|155:CA(TRP)       
         4.3     B|90:CD(PRO)        
         4.3     A|90:O(PRO)         
         4.2     B|101:CA(PRO)       
         4.2     B|104:CA(LEU)       
         4.1     A|11:N(PRO)         
         4.1     B|218:N(GLU)        
         4.1     B|111:CA(LEU)       
         4.1     B|9:O(ARG)          
         4.0     A|111:CA(LEU)       
         4.0     B|84:C(VAL)         
         4.0     A|90:C(PRO)         
         4.0     B|178:CB(GLU)       
         4.0     B|243:CG1(VAL)      
         4.0     A|216:CD(PRO)       
         4.0     A|247:CA(LEU)       
         4.0     A|101:CA(PRO)       
         4.0     B|219:CB(THR)       
         4.0     A|84:C(VAL)         
         4.0     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     A|89:CA(GLU)        
         3.8     B|186:O(HIS)        
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
