 
 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      2827.06       0.599
     ANGL bond angles (degs)        6406       2.000        1.30       0.814      8486.41       1.325
     TORS split-harmonic tors       1049       0.000       23.20       1.483         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.20                  3174.06       3.026
     TRIG.onal planes (angs)         110       2.000      0.0092       0.458        46.18       0.420
     PLAN general plane (angs)       666       5.000      0.0174       0.869      2516.66       3.779
     BCORrelations (angs*2)         4718      20.000       1.576       0.269      6827.81       1.447
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5138       4.000                             33414.54
     CHIRAL (gelly semiharmon)       584       5.000                                16.94
     SIM similarity restraint for NCS and/or TARGET                               6383.12
     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                           3.23 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         4 bond angles.  Worst is     6.2 sigs    94.21 degs A|186:N=CA=C (HIS)
 WARNING:         1 planes.       Worst is     5.3 sigs     0.11 Angs A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD

 Weighted rms      0.0107         1.303  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.594       1.524      -0.070       0.020      -3.516    A|187:CA=C (PRO)
       1.411       1.336      -0.075       0.023      -3.259    A|185:C(THR)=A|186:N(HIS)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      94.214     111.000      16.786       2.700       6.217    A|186:N=CA=C (HIS)
      96.083     111.000      14.917       2.700       5.525    B|218:N=CA=C (GLU)
     135.400     121.700     -13.700       2.500      -5.480    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
      97.221     111.000      13.779       2.700       5.103    B|222:N=CA=C (PHE)
     134.176     121.700     -12.476       2.500      -4.991    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     130.323     117.100     -13.223       2.800      -4.722    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     124.356     112.100     -12.256       2.600      -4.714    A|87:N=CA=C (PRO)
     133.480     121.700     -11.780       2.500      -4.712    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     138.122     127.000     -11.122       2.400      -4.634    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
      98.491     111.000      12.509       2.700       4.633    A|86:N=CA=C (ASP)
     112.824     121.100       8.276       1.900       4.356    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     125.220     115.300      -9.920       2.300      -4.313    B|215:CA=CB=CG (LEU)
     132.340     121.700     -10.640       2.500      -4.256    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
      99.604     111.000      11.396       2.700       4.221    B|155:N=CA=C (TRP)
     128.583     117.100     -11.483       2.800      -4.101    B|9:CA(ARG)=B|9:C(ARG)=B|10:N(PRO)
     125.353     119.300      -6.053       1.500      -4.035    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     121.800     111.000     -10.800       2.700      -4.000    B|122:N=CA=C (LYS)
     121.714     111.000     -10.714       2.700      -3.968    B|86:N=CA=C (ASP)
     111.901     120.600       8.699       2.200       3.954    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     122.105     110.500     -11.605       3.000      -3.868    B|104:CD1=CG=CD2 (LEU)
     131.252     121.700      -9.552       2.500      -3.821    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     117.444     110.600      -6.844       1.800      -3.802    A|9:N=CA=CB (ARG)
     130.992     121.700      -9.292       2.500      -3.717    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     117.624     110.400      -7.224       2.000      -3.612    B|89:CB=CA=C (GLU)
     130.662     121.700      -8.962       2.500      -3.585    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     126.930     117.100      -9.830       2.800      -3.511    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
      99.605     103.800       4.195       1.200       3.496    A|187:CG=CD=N (PRO)
     103.091     112.100       9.009       2.600       3.465    A|216:N=CA=C (PRO)
     130.231     121.700      -8.531       2.500      -3.412    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     130.158     121.700      -8.458       2.500      -3.383    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     130.094     121.700      -8.394       2.500      -3.357    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     119.999     111.000      -8.999       2.700      -3.333    A|147:N=CA=C (LYS)
     103.739     110.400       6.661       2.000       3.330    B|20:N=CA=CB (LEU)
     129.975     121.700      -8.275       2.500      -3.310    B|93:C(LEU)=B|94:N(GLU)=B|94:CA(GLU)
     119.909     111.000      -8.909       2.700      -3.300    B|147:N=CA=C (LYS)
     113.316     120.100       6.784       2.100       3.230    B|9:CA=C=O (ARG)
     126.072     117.100      -8.972       2.800      -3.204    B|86:CA(ASP)=B|86:C(ASP)=B|87:N(PRO)
     116.796     110.400      -6.396       2.000      -3.198    B|217:CB=CA=C (GLU)
     116.253     110.200      -6.053       1.900      -3.186    B|215:CB=CA=C (LEU)
     119.561     111.000      -8.561       2.700      -3.171    A|239:N=CA=C (ASN)
     119.561     111.000      -8.561       2.700      -3.171    B|239:N=CA=C (ASN)
     119.271     111.000      -8.271       2.700      -3.063    A|58:N=CA=C (LEU)
     129.317     121.700      -7.617       2.500      -3.047    B|204:C(ILE)=B|205:N(GLN)=B|205:CA(GLN)
      98.649     103.200       4.551       1.500       3.034    B|187:CG=CD=N (PRO)
     119.149     111.000      -8.149       2.700      -3.018    B|186:N=CA=C (HIS)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.657      90.000      87.343      20.000       4.367    B|81:CA=CB=CG=CD1 (PHE)
       8.621      90.000      81.379      20.000       4.069    A|81:CA=CB=CG=CD1 (PHE)
       9.234      90.000      80.766      20.000       4.038    B|53:CA=CB=CG=CD1 (TRP)
       9.900      90.000      80.100      20.000       4.005    A|53:CA=CB=CG=CD1 (TRP)
    -121.421    -180.000     -58.579      15.000      -3.905    B|184:CB=CG=CD=NE (ARG)
     118.006      60.000     -58.006      15.000      -3.867    A|89:CA=CB=CG=CD (GLU)
      12.707      90.000      77.293      20.000       3.865    A|139:CA=CB=CG=CD1 (TYR)
     122.254     180.000      57.746      15.000       3.850    A|204:CA=CB=CG1=CD1 (ILE)
      13.279      90.000      76.721      20.000       3.836    B|139:CA=CB=CG=CD1 (TYR)
    -122.840    -180.000     -57.160      15.000      -3.811    B|287:N=CA=CB=SG (CYS)
     123.170     180.000      56.830      15.000       3.789    B|220:CA=CB=CG=SD (MET)
     123.723     180.000      56.277      15.000       3.752    B|217:N=CA=CB=CG (GLU)
     115.978      60.000     -55.978      15.000      -3.732    A|289:CA=CB=CG=CD2 (LEU)
     115.834      60.000     -55.834      15.000      -3.722    B|289:CA=CB=CG=CD2 (LEU)
    -124.337    -180.000     -55.663      15.000      -3.711    A|287:N=CA=CB=SG (CYS)
    -124.661    -180.000     -55.339      15.000      -3.689    B|22:CG=CD=CE=NZ (LYS)
    -115.157     -60.000      55.157      15.000       3.677    A|220:N=CA=CB=CG (MET)
    -125.845    -180.000     -54.155      15.000      -3.610    A|60:N=CA=CB=CG (MET)
    -125.852    -180.000     -54.148      15.000      -3.610    A|106:CA=CB=CG=CD (LYS)
     126.062     180.000      53.938      15.000       3.596    B|217:CA=CB=CG=CD (GLU)
    -126.456    -180.000     -53.544      15.000      -3.570    A|289:N=CA=CB=CG (LEU)
    -113.505     -60.000      53.505      15.000       3.567    A|93:CA=CB=CG=CD2 (LEU)
    -126.582    -180.000     -53.418      15.000      -3.561    B|60:N=CA=CB=CG (MET)
    -126.862    -180.000     -53.138      15.000      -3.543    B|289:N=CA=CB=CG (LEU)
     113.102      60.000     -53.102      15.000      -3.540    A|234:CG=CD=CE=NZ (LYS)
       6.956      60.000      53.044      15.000       3.536    B|215:N=CA=CB=CG (LEU)
    -127.326    -180.000     -52.674      15.000      -3.512    B|242:N=CA=CB=CG2 (THR)
     127.425     180.000      52.575      15.000       3.505    B|104:CA=CB=CG=CD2 (LEU)
     127.624     180.000      52.376      15.000       3.492    A|122:CA=CB=CG=CD (LYS)
     112.315      60.000     -52.315      15.000      -3.488    B|154:N=CA=CB=CG2 (THR)
    -111.774     -60.000      51.774      15.000       3.452    A|206:CB=CG=CD=CE (LYS)
     128.265     180.000      51.735      15.000       3.449    A|111:CA=CB=CG=CD2 (LEU)
    -111.429     -60.000      51.429      15.000       3.429    B|206:CB=CG=CD=CE (LYS)
    -111.128     -60.000      51.128      15.000       3.409    A|230:N=CA=CB=CG (LYS)
     129.079     180.000      50.921      15.000       3.395    B|111:CA=CB=CG=CD2 (LEU)
    -156.294     -90.000      66.294      20.000       3.315    A|186:CA=CB=CG=ND1 (HIS)
    -130.409    -180.000     -49.591      15.000      -3.306    A|186:N=CA=CB=CG (HIS)
     130.540     180.000      49.460      15.000       3.297    A|16:CG=CD=CE=NZ (LYS)
    -130.863    -180.000     -49.137      15.000      -3.276    A|275:CA=CB=CG=CD (ARG)
    -108.972     -60.000      48.972      15.000       3.265    B|181:N=CA=CB=CG (GLU)
    -131.114    -180.000     -48.886      15.000      -3.259    B|208:N=CA=CB=CG (LEU)
    -131.123    -180.000     -48.877      15.000      -3.258    B|275:CA=CB=CG=CD (ARG)
    -108.723     -60.000      48.723      15.000       3.248    A|181:N=CA=CB=CG (GLU)
      11.416      60.000      48.584      15.000       3.239    B|12:CA=CB=CG=CD2 (LEU)
    -108.498     -60.000      48.498      15.000       3.233    A|184:CB=CG=CD=NE (ARG)
     131.868     180.000      48.132      15.000       3.209    B|57:N=CA=CB=CG2 (ILE)
     132.727     180.000      47.273      15.000       3.152    A|94:CA=CB=CG=CD (GLU)
    -133.007    -180.000     -46.993      15.000      -3.133    A|12:N=CA=CB=CG (LEU)
    -105.808     -60.000      45.808      15.000       3.054    B|31:N=CA=CB=CG (LEU)
    -134.214    -180.000     -45.786      15.000      -3.052    A|182:CA=CB=CG=CD2 (LEU)
    -134.218    -180.000     -45.782      15.000      -3.052    A|184:N=CA=CB=CG (ARG)
    -134.482    -180.000     -45.518      15.000      -3.035    B|260:N=CA=CB=CG (MET)
    -105.236     -60.000      45.236      15.000       3.016    A|209:N=CA=CB=CG (GLU)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.105       0.020       5.255    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.068       0.020       3.424    A|86:C=A|86:CA=A|86:O=A|87:N=A|87:CA=A|87:CD
       0.067       0.020       3.364    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
       2.849       3.840       0.991       0.200       4.956    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.315       3.270       0.955       0.200       4.775    A|185:C(THR)=A|186:O(HIS)
       2.911       3.860       0.949       0.200       4.745    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.939       3.880       0.941       0.200       4.704    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.662       3.520       0.858       0.200       4.292    B|184:CG=NH1 (ARG)
       3.012       3.870       0.858       0.200       4.289    B|215:CB(LEU)=B|216:CA(PRO)
       2.590       3.440       0.850       0.200       4.248    B|222:O(PHE)=B|223:CB(MET)
       3.016       3.860       0.844       0.200       4.222    A|215:CD2(LEU)=A|220:CG(MET)
       2.213       3.040       0.827       0.200       4.137    A|216:O(PRO)=A|217:O(GLU)
       2.374       3.190       0.816       0.200       4.081    A|186:O(HIS)=A|187:CD(PRO)
       2.826       3.590       0.764       0.200       3.818    A|111:CA=CD1 (LEU)
       2.829       3.590       0.761       0.200       3.804    B|111:CA=CD1 (LEU)
       2.715       3.470       0.755       0.200       3.774    B|218:O(GLU)=B|219:CB(THR)
       3.069       3.820       0.751       0.200       3.753    A|215:CD2(LEU)=A|220:SD(MET)
       2.298       3.040       0.742       0.200       3.711    B|185:O(THR)=B|186:O(HIS)
       2.702       3.440       0.738       0.200       3.692    A|93:O(LEU)=A|94:CB(GLU)
       2.544       3.270       0.726       0.200       3.631    A|216:C(PRO)=A|217:O(GLU)
       2.822       3.540       0.718       0.200       3.589    B|122:CB=CE (LYS)
       2.328       3.040       0.712       0.200       3.562    B|219:O(THR)=B|222:O(PHE)
       2.761       3.460       0.699       0.200       3.496    B|185:O=CG2 (THR)
       2.903       3.590       0.687       0.200       3.436    A|247:CA=CD2 (LEU)
       2.906       3.590       0.684       0.200       3.421    B|31:CA=CD2 (LEU)
       2.991       3.670       0.679       0.200       3.397    B|215:CB(LEU)=B|216:C(PRO)
       3.182       3.860       0.678       0.200       3.392    B|12:CD1(LEU)=B|19:CB(PRO)
       2.598       3.270       0.672       0.200       3.358    A|90:O(PRO)=A|91:C(SER)
       2.600       3.270       0.670       0.200       3.349    B|9:O(ARG)=B|10:C(PRO)
       2.903       3.570       0.667       0.200       3.333    B|18:CA(VAL)=B|19:CD(PRO)
       2.730       3.390       0.660       0.200       3.299    B|57:C=CG2 (ILE)
       2.612       3.270       0.658       0.200       3.288    A|217:O(GLU)=A|218:C(GLU)
       2.899       3.550       0.651       0.200       3.257    B|86:N(ASP)=B|87:CA(PRO)
       2.622       3.270       0.648       0.200       3.240    A|91:O(SER)=A|92:C(GLY)
       2.944       3.590       0.646       0.200       3.229    A|289:CA=CD1 (LEU)
       2.945       3.590       0.645       0.200       3.225    B|289:CA=CD1 (LEU)
       3.197       3.840       0.643       0.200       3.217    B|89:CG(GLU)=B|90:CD(PRO)
       3.245       3.880       0.635       0.200       3.176    A|58:CD2(LEU)=A|104:CD2(LEU)
       2.761       3.390       0.629       0.200       3.145    B|204:C=CG2 (ILE)
       2.770       3.390       0.620       0.200       3.098    A|204:C=CG2 (ILE)
       2.301       2.920       0.619       0.200       3.094    A|186:N=O (HIS)
       2.425       3.040       0.615       0.200       3.075    A|86:O(ASP)=A|89:O(GLU)
       2.977       3.590       0.613       0.200       3.063    B|104:CA=CD1 (LEU)
       2.211       2.820       0.609       0.200       3.046    A|217:O(GLU)=A|219:N(THR)
       3.256       3.860       0.604       0.200       3.021    A|201:CG(LYS)=A|220:CE(MET)
       2.967       3.570       0.603       0.200       3.017    B|109:CA(LEU)=B|110:CD(PRO)
 

  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)
             5.65                B|207:CG1 (ILE)      
             5.58                B|178:O (GLU)        
             4.97                A|7:O (THR)          
             4.76                B|207:CD1 (ILE)      
             4.67                A|183:CB (SER)       
             4.44                A|183:OG (SER)       
             4.32                A|156:N (ASP)        
             4.32                B|178:CB (GLU)       
             4.30                B|156:N (ASP)        
             3.77                B|178:C (GLU)        
             3.64                A|7:C (THR)          
             3.56                B|207:O (ILE)        
             3.43                B|207:CB (ILE)       
             3.43                A|183:CA (SER)       
             3.24                A|7:CB (THR)         
 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
            97.41                B|35:CG (GLN)        
            97.41                A|35:CG (GLN)        
            94.88                B|154:CG2 (THR)      
            94.88                A|154:CG2 (THR)      
            90.15                A|35:OE1 (GLN)       
            90.15                B|35:OE1 (GLN)       
            88.33                A|177:NE2 (GLN)      
            88.33                B|177:NE2 (GLN)      
            88.25                A|104:CD1 (LEU)      
            88.25                B|104:CD1 (LEU)      
            86.75                A|177:OE1 (GLN)      
            86.75                B|177:OE1 (GLN)      
            86.39                A|104:CD2 (LEU)      
            86.39                B|104:CD2 (LEU)      
            86.28                A|234:CD (LYS)       
            86.28                B|234:CD (LYS)       
            85.79                A|154:OG1 (THR)      
            85.79                B|154:OG1 (THR)      
            85.76                B|234:CG (LYS)       
            85.76                A|234:CG (LYS)       
            85.60                A|260:CG (MET)       
            85.60                B|260:CG (MET)       
            84.33                B|22:CG (LYS)        
            84.33                A|22:CG (LYS)        
            83.47                B|26:OE2 (GLU)       
            83.47                A|26:OE2 (GLU)       
            79.31                B|260:CE (MET)       
            79.31                A|260:CE (MET)       
            77.11                B|26:OE1 (GLU)       
            77.11                A|26:OE1 (GLU)       
            71.57                B|35:NE2 (GLN)       
            71.57                A|35:NE2 (GLN)       
            70.06                B|178:OE2 (GLU)      
            65.65                B|178:CD (GLU)       
            64.37                B|22:CD (LYS)        
            64.37                A|22:CD (LYS)        
            61.80                A|22:CE (LYS)        
            61.80                B|22:CE (LYS)        
            60.99                B|178:OE1 (GLU)      
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.825
        15.6     A|186:O(HIS)        
        15.3     A|186:C(HIS)        
        13.1     A|187:CD(PRO)       
        12.9     A|217:O(GLU)        
        12.2     A|187:N(PRO)        
        10.6     A|186:CA(HIS)       
         9.8     B|215:CB(LEU)       
         9.7     A|187:CA(PRO)       
         9.6     A|215:CD2(LEU)      
         9.2     A|185:C(THR)        
         8.9     B|222:O(PHE)        
         8.7     A|89:CG(GLU)        
         8.3     A|90:CG(PRO)        
         8.2     A|247:CD2(LEU)      
         8.1     A|86:CA(ASP)        
         7.9     A|186:N(HIS)        
         7.7     A|86:N(ASP)         
         7.5     B|187:CA(PRO)       
         7.2     B|155:C(TRP)        
         7.2     B|215:CA(LEU)       
         6.9     A|87:CB(PRO)        
         6.9     B|186:CA(HIS)       
         6.9     A|187:C(PRO)        
         6.7     A|216:O(PRO)        
         6.6     A|90:O(PRO)         
         6.5     A|91:C(SER)         
         6.4     A|185:O(THR)        
         6.4     B|10:C(PRO)         
         6.4     A|85:C(ASN)         
         6.3     B|185:O(THR)        
         6.3     A|109:CA(LEU)       
         6.3     A|86:O(ASP)         
         6.2     B|243:CG1(VAL)      
         6.2     B|184:CG(ARG)       
         6.2     B|186:C(HIS)        
         6.1     A|10:C(PRO)         
         6.0     B|216:CA(PRO)       
         6.0     A|93:O(LEU)         
         6.0     A|90:C(PRO)         
         6.0     A|91:O(SER)         
         5.9     B|86:CA(ASP)        
         5.9     A|87:CA(PRO)        
         5.8     B|187:N(PRO)        
         5.8     A|58:CD2(LEU)       
         5.7     A|10:CA(PRO)        
         5.6     A|9:CA(ARG)         
         5.6     B|223:CB(MET)       
         5.5     A|87:C(PRO)         
         5.5     B|186:O(HIS)        
         5.5     B|9:C(ARG)          
         5.4     B|9:O(ARG)          
         5.4     B|10:CA(PRO)        
         5.4     B|9:CA(ARG)         
         5.3     B|218:N(GLU)        
         5.2     A|216:C(PRO)        
         5.2     A|218:C(GLU)        
         5.1     A|11:C(PRO)         
         5.1     B|104:CD1(LEU)      
         5.1     A|94:CB(GLU)        
         5.1     B|218:O(GLU)        
         5.0     B|87:CA(PRO)        
         5.0     B|222:C(PHE)        
         5.0     B|122:CB(LYS)       
         5.0     A|84:C(VAL)         
         5.0     B|109:CA(LEU)       
         5.0     B|89:CA(GLU)        
         5.0     B|86:N(ASP)         
         4.9     B|219:O(THR)        
         4.9     B|122:N(LYS)        
         4.8     B|215:C(LEU)        
         4.8     B|90:C(PRO)         
         4.8     A|11:CA(PRO)        
         4.8     A|188:N(VAL)        
         4.8     B|90:CD(PRO)        
         4.7     A|219:N(THR)        
         4.7     B|247:CD1(LEU)      
         4.7     A|247:CA(LEU)       
         4.7     B|219:CB(THR)       
         4.6     B|218:CA(GLU)       
         4.6     A|220:SD(MET)       
         4.6     B|85:CA(ASN)        
         4.5     B|155:CA(TRP)       
         4.5     B|184:NH1(ARG)      
         4.5     A|87:N(PRO)         
         4.5     B|12:CA(LEU)        
         4.4     A|92:C(GLY)         
         4.4     B|86:C(ASP)         
         4.3     B|156:CA(ASP)       
         4.3     A|86:C(ASP)         
         4.3     B|204:C(ILE)        
         4.3     B|90:CA(PRO)        
         4.3     A|215:CA(LEU)       
         4.2     B|57:CG2(ILE)       
         4.2     B|185:C(THR)        
         4.2     A|111:CA(LEU)       
         4.2     B|46:CA(TYR)        
         4.2     A|46:CA(TYR)        
         4.2     B|111:CA(LEU)       
         4.2     B|186:N(HIS)        
         4.2     B|122:CA(LYS)       
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
