*HEADER    MEMBRANE PROTEIN                        19-DEC-18   6QAN              
*TITLE     STRUCTURE DETERMINATION OF N-TERMINAL FRAGMENT OF UL49.5 PROTEIN FROM 
*TITLE    2 BOVINE HERPESVIRUS 1 BY NMR SPECTROSCOPY AND MOLECULAR DYNAMICS      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENVELOPE GLYCOPROTEIN N;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: UL49.5,VIRION PROTEIN;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: BOVINE ALPHAHERPESVIRUS 1;                      
*SOURCE   4 ORGANISM_TAXID: 10320                                                
*KEYWDS    TRANSMEMBRANE PROTEIN, NMR SPECTROSCOPY, HERPESVIRUS, MEMBRANE        
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    18                                                                    
*AUTHOR    N.KARSKA,S.RODZIEWICZ-MOTOWIDLO                                       
*REVDAT   2   15-NOV-23 6QAN    1
*REVDAT   1   27-FEB-19 6QAN    0
# Restraints file 1: NT.crd
default_name                                                                    
  541
  17.5020893  33.0997543   5.0120959  17.5190173  33.3848483   4.0430187
  16.8384468  32.3455684   5.1081502  18.4172301  32.7442112   5.2487892
  17.1392801  34.2434589   5.8973720  16.1671545  34.6293375   5.5879981
  17.0525413  33.8219333   7.3861475  17.8238854  33.0799809   7.6027651
  17.2652277  34.6875920   8.0168450  15.6873540  33.2652436   7.8270437
  15.4182207  32.3964987   7.2254097  15.7819211  32.9429255   8.8642322
  14.5749789  34.3225217   7.7386323  14.9772027  35.2844514   8.0625461
  14.2381926  34.4073695   6.7034481  13.4350930  33.9896279   8.6055105
  13.4312953  33.0754006   9.0580839  12.4105982  34.7701559   8.8856189
  12.2004693  35.8995115   8.2707539  12.8104481  36.1736113   7.5200864
  11.4005071  36.4621009   8.5022530  11.5740484  34.4250145   9.8113887
  11.8194358  33.6181765  10.3902347  10.7959747  35.0091907  10.0547807
  18.1422228  35.3885408   5.7386230  19.3254273  35.2169839   6.0268537
  17.6789532  36.5629698   5.2998214  16.7057660  36.6391558   5.0365323
  18.5039444  37.7790374   5.1929338  19.4184575  37.5136065   4.6584999
  17.7748298  38.8100164   4.3162749  17.6045953  38.3708228   3.3308765
  16.7956305  39.0334637   4.7380879  18.5826922  40.1091944   4.1574311
  18.2791519  41.1034468   4.8584357  19.5181825  40.1388511   3.3213233
  18.9529730  38.3729551   6.5557779  20.1572453  38.6038738   6.7082624
  18.0737811  38.5935764   7.5650707  16.6158022  38.5120329   7.5098521
  16.2704235  37.5196060   7.2242988  16.2370717  39.2615692   6.8155651
  16.1069975  38.8469196   8.9110999  16.0200850  37.9367278   9.5055329
  15.1497543  39.3676482   8.8774705  17.2129209  39.7367736   9.4735052
  17.2315960  39.7126213  10.5628482  17.0616034  40.7602142   9.1270339
  18.4955653  39.1753766   8.8465519  19.1848399  40.0024189   8.6723909
  19.1844798  38.1631042   9.7813827  20.2018978  38.4868224  10.3954514
  18.6397431  36.9400326   9.8834770  17.8363489  36.7599354   9.2999761
  19.0797415  35.8441029  10.7718698  18.2306680  35.1616429  10.8336694
  20.2340934  35.0735749  10.0789303  20.2393393  35.3360719   9.0191693
  21.1932815  35.3949440  10.4872517  20.1228106  33.5358004  10.1519718
  19.1502113  33.2383817   9.7608171  21.1996361  32.8971337   9.2741409
  22.1902306  33.1667490   9.6415030  21.0908500  33.2436546   8.2460794
  21.0933086  31.8121809   9.2871715  20.2707767  32.9577689  11.5599613
  21.2352206  33.2444310  11.9803485  20.2015815  31.8700440  11.5245719
  19.4770713  33.3318341  12.2014546  19.3568161  36.2791429  12.2394609
  20.2351177  35.7402171  12.9134577  18.6085136  37.2706505  12.7454243
  17.9179549  37.6930738  12.1429095  18.7804567  37.8231265  14.1011880
  19.8458402  37.8718467  14.3254765  18.2098052  39.2544055  14.1541020
  17.1568883  39.2204464  13.8737206  18.2567598  39.6060425  15.1845643
  18.9327891  40.2877357  13.2678161  18.8717038  39.9740311  12.2296751
  18.2393249  41.6449581  13.3889798  17.1923126  41.5514247  13.0980921
  18.7224002  42.3652902  12.7280410  18.2978799  42.0042777  14.4166313
  20.4061016  40.4690178  13.6409894  20.9579697  39.5523777  13.4339596
  20.4962499  40.7236051  14.6973933  20.8411236  41.2667578  13.0388697
  18.1566150  36.9561595  15.2146813  18.5799633  37.0508787  16.3674294
  17.1762662  36.1048314  14.8849357  16.8198677  36.1652961  13.9440759
  16.5064099  35.1973500  15.8409601  17.2133362  34.9617033  16.6380579
  15.3100818  35.9408683  16.4628222  15.6095088  36.9603159  16.7140153
  14.5040885  36.0019402  15.7286476  14.8034625  35.2732589  17.7475436
  15.6190855  34.9670397  18.6447052  13.5746169  35.0909767  17.9077559
  16.0647690  33.8429473  15.2361043  15.5449315  32.9759221  15.9442321
  16.2844568  33.6310345  13.9303239  16.7380900  34.3569728  13.3997259
  15.8760952  32.4194603  13.2093847  14.7914752  32.3425700  13.2537411
  16.2532751  32.5730610  11.7317697  15.7898185  33.4725157  11.3236417
  17.3343645  32.6335981  11.6176885  15.8883633  31.7094942  11.1735713
  16.4545967  31.1247591  13.8150896  15.7614684  30.1080869  13.8723732
  17.6877137  31.1720256  14.3390610  18.1907995  32.0431773  14.2602578
  18.3688275  30.0348702  14.9793721  18.4340867  29.2595534  14.2139710
  19.8202611  30.3989851  15.3547012  20.3642843  29.4616050  15.4797410
  20.2891058  30.9186162  14.5182110  20.0282477  31.2108080  16.6511893
  19.6216044  30.6468771  17.4910418  21.1023968  31.2959060  16.8208127
  19.4316259  32.6267682  16.6891822  18.3507006  32.5783711  16.5732912
  19.6393667  33.0563941  17.6698701  20.0229393  33.5557907  15.6245075
  19.6447683  34.5643413  15.7776476  21.1100704  33.5716936  15.7074779
  19.7396251  33.2221076  14.6280549  17.6133497  29.4136240  16.1738030
  17.8663678  28.2561428  16.5142012  16.6643680  30.1472385  16.7788954
  16.5230806  31.0940235  16.4426283  15.7235403  29.6121467  17.7781678
  16.1309814  28.7038378  18.2271399  15.4815579  30.6370964  18.9043220
  14.9878381  31.5181173  18.4907983  14.8072549  30.1833468  19.6327086
  16.7512719  31.1004846  19.6383070  17.3458594  30.2317924  19.9224475
  17.3462254  31.7264427  18.9728239  16.4056101  31.8985558  20.9068115
  15.9639592  31.2119318  21.6302326  17.3284569  32.2939019  21.3353830
  15.4829574  33.0162104  20.6182783  15.7137109  33.6212236  19.8310388
  14.3289351  33.2986126  21.1907540  13.9108511  32.7027201  22.2730799
  14.5025426  32.0228588  22.7185564  13.0248910  32.9467627  22.6824375
  13.5592978  34.1986082  20.6555669  13.8329402  34.5988208  19.7554210
  12.6701519  34.4284502  21.0601839  14.3938816  29.2230238  17.1253785
  14.0540736  28.0415176  17.0691735  13.6580713  30.2159247  16.6086822
  14.0663088  31.1416329  16.6477704  12.2500180  30.1023452  16.1674254
  11.6981642  29.5983649  16.9628256  11.6581349  31.5173564  16.0289332
  10.5728856  31.4462615  15.9365666  11.8778029  32.0723023  16.9431768
  12.2109534  32.2888236  14.8187738  13.2629350  32.0483597  14.6942152
  11.6777929  31.9776587  13.9209816  12.0992728  33.8085511  14.9765723
  12.7206185  34.1098812  15.8168656  12.5112247  34.2792056  14.0823936
  10.7014513  34.2528478  15.1525024  10.0543296  33.9946609  14.4238188
  10.2017964  34.9838613  16.1354396  10.9049497  35.4053916  17.1495795
  11.8956020  35.1731086  17.2349961  10.4800777  35.9681044  17.8632757
   8.9422262  35.3172085  16.1149873   8.3507678  35.0211100  15.3555305
   8.5519071  35.8742317  16.8564972  12.0186914  29.2484889  14.9125888
  10.9080810  28.7670393  14.6976475  13.0648139  29.0183828  14.1176030
  13.9277689  29.4962561  14.3453911  13.0600246  28.1650904  12.9199085
  12.0821422  27.6998542  12.7883368  13.3494836  29.0235729  11.6750773
  14.2449482  29.6174810  11.8540612  13.5488758  28.3710849  10.8239512
  12.1818983  29.9522501  11.3074473  11.5079725  29.4246301  10.6281449
  11.6062310  30.1989856  12.2015158  12.6741987  31.2562937  10.6592717
  12.5503877  32.3290667  11.2934872  13.1564113  31.2506753   9.5026587
  14.0814220  27.0215600  13.0445775  13.8052893  25.9044225  12.6079009
  15.2175210  27.2527666  13.7143295  15.4206356  28.2067446  13.9906823
  16.2143656  26.2219337  14.0229046  16.6068750  25.8141937  13.0907492
  17.0382782  26.6797313  14.5686368  15.6662516  25.0652737  14.8705522
  15.9494627  23.9051145  14.5698720  14.8365069  25.3510150  15.8834665
  14.6531003  26.3215183  16.1114037  14.1622236  24.3152968  16.6741225
  14.9006229  23.5830313  16.9897339  13.5636111  24.9537134  17.9325190
  14.3471470  25.4569588  18.5004528  12.7921304  25.6753602  17.6609969
  13.1202151  24.1777785  18.5576821  13.0910027  23.5563635  15.8683237
  12.9932003  22.3307060  15.9589081  12.3205470  24.2681206  15.0364074
  12.4692415  25.2656487  15.0005579  11.3123815  23.6806345  14.1435113
  10.5956134  23.1373699  14.7615569  10.5640603  24.8163938  13.4245908
  10.2960754  25.5721882  14.1631357  11.2192067  25.2746662  12.6836044
   9.2796536  24.3321206  12.7331195   9.5256536  23.5176229  12.0518779
   8.5891223  23.9502715  13.4866501   8.5795275  25.4323110  11.9173981
   9.2580119  25.7925192  11.1429361   7.7109467  24.9915816  11.4266315
   8.1036795  26.6253630  12.7554343   8.9570289  27.1732824  13.1545227
   7.5251767  27.3001731  12.1242331   7.4737485  26.2776428  13.5749742
  11.9450999  22.6940196  13.1432019  11.3993903  21.6178233  12.8962998
  13.1325542  23.0212017  12.6267526  13.4987186  23.9432724  12.8433963
  13.9232163  22.1784028  11.7198463  13.2848844  21.9123959  10.8769203
  15.0913061  23.0109060  11.1696270  14.7040342  23.9593756  10.7913073
  15.7831089  23.2361718  11.9823892  15.8378081  22.3029713  10.0244158
  15.2521745  22.1388636   8.9263609  17.0295699  21.9553884  10.2000207
  14.4223838  20.8521056  12.3417117  14.7364518  19.9202649  11.5969760
  14.4409237  20.7187755  13.6795204  14.1946078  21.5208880  14.2447882
  14.7646534  19.4581206  14.3690339  15.0228183  18.7272745  13.6053531
  16.0391748  19.5752024  15.2254524  16.3017937  18.5737585  15.5688770
  16.8490983  19.8848078  14.5645987  16.0313049  20.4860073  16.4459529
  15.2189949  20.1966963  17.5618272  14.5441185  19.3534551  17.5438621
  15.3004117  20.9857149  18.7240585  14.6707107  20.7609404  19.5751521
  16.2148414  22.0512204  18.7905039  16.2836796  22.6517214  19.6881498
  17.0413081  22.3338635  17.6891859  17.7478682  23.1522560  17.7379401
  16.9436870  21.5580829  16.5196595  17.5883257  21.7798869  15.6799310
  13.5780121  18.8088470  15.0993664  13.6312162  17.6089274  15.3744862
  12.4706966  19.5263375  15.3271377  12.5019574  20.5299577  15.1823225
  11.1753665  18.8975191  15.6196018  11.3006999  18.1670112  16.4190665
  10.1617254  19.9476979  16.0913848  10.5094143  20.3748708  17.0335122
  10.1166106  20.7546095  15.3590911   8.7766600  19.4053232  16.2960433
   7.7007934  19.6837323  15.5228360   7.7059546  20.3530305  14.6674769
   6.6021324  18.9824412  15.9818986   5.6811760  19.0496240  15.5601920
   6.9151951  18.2106720  17.0809532   6.1621234  17.3500773  17.8916918
   5.1090916  17.1999235  17.6961027   6.7906565  16.6994154  18.9683433
   6.2219455  16.0443879  19.6165939   8.1620513  16.9035382  19.2043758
   8.6434809  16.3970165  20.0327097   8.9093126  17.7700255  18.3827138
   9.9601767  17.9275310  18.5840407   8.3052226  18.4546660  17.3029138
  10.6401964  18.1447137  14.3924415  10.3555182  16.9489563  14.4677318
  10.5683744  18.8110739  13.2354258  10.8318003  19.7907803  13.2367454
  10.0884534  18.2244327  11.9703983   9.0948012  17.8129618  12.1520757
   9.9352039  19.3044016  10.8922257   9.5792976  18.8423625   9.9708490
   9.1892484  20.0321587  11.2154394  11.1602134  19.9689155  10.6385333
  11.2878697  20.6251576  11.3514636  10.9516192  17.0674975  11.4403136
  10.4568896  16.2402091  10.6744794  12.2057829  16.9446782  11.8941500
  12.5621171  17.6798856  12.4850027  13.0787858  15.7960929  11.6229293
  13.1492797  15.6731228  10.5406132  14.4805157  16.1199005  12.1553918
  14.8415035  17.0501274  11.7149356  14.4586795  16.2124010  13.2414474
  15.1678458  15.3171760  11.8861655  12.5615371  14.4536777  12.1992577
  13.0109526  13.3890603  11.7667543  11.6118862  14.4906042  13.1462039
  11.3431573  15.4015410  13.4983959  10.9712975  13.3089278  13.7450374
  11.2080925  12.4181721  13.1638812  11.3751803  13.1714499  14.7477033
   9.4434951  13.3931189  13.8640570   8.8058372  12.3421839  13.9319691
   8.8784499  14.6098147  13.8437391   9.5200452  15.3924498  13.8406882
   7.4541626  14.9848737  13.8580186   7.4042835  15.9912574  14.2776537
   6.9458804  15.0946714  12.4088725   7.6663656  15.6658421  11.8208446
   6.8626783  14.1008298  11.9729932   5.5888053  15.8002574  12.3131305
   5.2972921  15.8788224  11.2653266   4.8273545  15.2322662  12.8477171
   5.6595392  16.8027414  12.7369474   6.5804582  14.0910595  14.7581518
   6.0453705  13.0821947  14.3035751   6.4777337  14.4590666  16.0443030
   6.8932165  15.3450247  16.3004765   5.9299353  13.6583655  17.1621964
   5.8438570  14.3379545  18.0082413   4.5006996  13.1371300  16.8882775
   4.5387086  12.3232197  16.1648021   4.1172037  12.6999686  17.8108235
   3.4858438  14.1683928  16.4317044   3.0075482  15.1339414  17.3404534
   3.3884240  15.1579539  18.3541497   2.0236956  16.0559007  16.9378260
   1.6477124  16.7942523  17.6324612   1.5064609  16.0132837  15.6238692
   0.5390753  16.8941436  15.2497548   0.2495408  16.7556645  14.3308703
   1.9889401  15.0460262  14.7123712   1.5909261  15.0060115  13.7078581
   2.9751465  14.1279607  15.1180518   3.3346666  13.3796960  14.4216488
   6.8785631  12.5350067  17.6419243   6.4349356  11.5807308  18.2855449
   8.1808349  12.6261359  17.3243448   8.4789021  13.4580975  16.8375626
   9.1815305  11.5625787  17.5245924  10.0466435  11.8203125  16.9112655
   9.6559509  11.5800011  18.9867438  10.4755076  10.8717474  19.1169204
  10.0060622  12.5790858  19.2509619   8.8378040  11.3006879  19.6506176
   8.6974137  10.1827805  17.0071556   8.8412700   9.1454660  17.6626670
   8.0825968  10.2040077  15.8161707   8.0613008  11.1057065  15.3462746
   7.2706342   9.1348289  15.2016888   7.2871760   8.2545217  15.8463218
   5.8251914   9.6885167  15.1559472   5.4943234   9.8412702  16.1840832
   5.8592642  10.6645557  14.6797044   4.7245485   8.9054459  14.4288720
   3.7769936   9.4236271  14.5840485   4.9301385   8.9345152  13.3611047
   4.5652751   7.4526105  14.8948297   5.5289799   6.9423393  14.8688840
   4.2131893   7.4528958  15.9282810   3.6019741   6.7237965  14.0440190
   2.6867004   6.5530218  14.4317946   3.8228667   6.2722182  12.8198409
   4.9596365   6.4392007  12.2155371   5.7161043   6.9209476  12.6846177
   5.1259652   6.0471021  11.2900961   2.8964711   5.6433890  12.1578700
   1.9909585   5.4879268  12.5697282   3.0950787   5.3105515  11.2292294
   7.8420412   8.6803392  13.8450078   7.2177733   7.8924904  13.1355920
   9.0366109   9.1552828  13.4834506   9.5024798   9.7744022  14.1296538
   9.7271572   8.8106857  12.2347967  10.7967681   8.9724217  12.3710592
   9.5719563   7.7551681  12.0063186   9.2798532   9.6401533  11.0259246
   9.4605951   9.1858842   9.8974987   8.6915201  10.8261757  11.2609064
   8.6179364  11.1102510  12.2317763   8.1301244  11.7591039  10.2581755
   7.3804369  12.3383491  10.7893033   9.1693425  12.8268311   9.8337998
   9.4443274  13.3626305  10.7434326  10.4786902  12.2927141   9.2398130
  10.2815614  11.7048288   8.3466932  11.1312529  13.1270075   8.9822637
  10.9945825  11.6729644   9.9715879   8.5654020  13.8688334   8.8863870
   8.3790437  13.4301775   7.9081747   7.6340524  14.2550239   9.2997340
   9.2602899  14.7000718   8.7663035   7.3600646  11.0460154   9.1167675
   7.8993880  10.8528322   8.0257199   6.1043473  10.6017252   9.3677768
   5.3338218  10.8963166  10.5752169   5.0449499  11.9485074  10.5701676
   5.9000927  10.6685831  11.4792646   4.0794626  10.0239159  10.5237864
   3.2149226  10.5330569  10.9509556   4.2656983   9.0826706  11.0415047
   3.9016245   9.7546003   9.0337923   3.4146078  10.6099002   8.5613081
   3.3366727   8.8389292   8.8539730   5.3493932   9.6339930   8.5556243
   5.6963583   8.6426990   8.8432766   5.4470357   9.7271321   7.0240288
   5.5950339   8.6939386   6.3696989   5.4066078  10.9299316   6.4397557
   5.2717179  11.7340718   7.0336121   5.5417041  11.1609538   4.9910387
   4.8151229  10.5018689   4.5116848   5.1012527  12.5996574   4.6261183
   5.1721728  12.6929253   3.5418733   4.0388920  12.6844076   4.8569885
   5.7996585  13.8392063   5.2310242   5.3939480  14.7040934   4.7073012
   5.5075505  14.0548801   6.7188664   5.8453644  15.0507813   7.0084942
   6.0347078  13.3260095   7.3286729   4.4338964  13.9901632   6.9002512
   7.3105939  13.8633730   5.0257932   7.5433182  13.7014710   3.9729907
   7.7853700  13.0909975   5.6261123   7.7049380  14.8336504   5.3275428
   6.8996705  10.7452676   4.3659784   7.0106534  10.6836195   3.1389822
   7.8939469  10.3884151   5.1875221   7.7386896  10.5197460   6.1809937
   9.2235521   9.8909272   4.7863189   9.2231521   9.7067867   3.7161406
  10.2987830  10.9512798   5.0690803  10.2774051  11.2129619   6.1276327
  11.2823371  10.5438389   4.8280904  10.0895646  12.1143573   4.2834796
  10.7894279  12.7604703   4.4954555   9.6035214   8.5585380   5.4636337
  10.7362779   8.0917368   5.3352181   8.6786404   7.9257996   6.1904324
   7.7489714   8.3239826   6.2292605   8.9053170   6.6565182   6.8995016
   9.8383269   6.7384280   7.4563578   7.7504468   6.4576928   7.8958685
   7.3350489   7.4259140   8.1684812   6.9786134   5.8766144   7.3968090
   8.1455955   5.7567523   9.2012611   8.8104475   4.9260289   8.9742212
   8.7038619   6.4592961   9.8225718   6.9303170   5.2222442   9.9885281
   5.7651828   5.6027386   9.7075253   7.1382353   4.4135282  10.9221263
   8.9594801   5.4563178   5.9164001   8.1591239   5.4179669   4.9725693
   9.8273456   4.4402997   6.1178359  10.9485398   4.4261481   7.0501618
  10.5981193   4.1797607   8.0512728  11.4798877   5.3785100   7.0582887
  11.8840347   3.3206625   6.5633818  12.4361714   2.8669790   7.3871634
  12.5712083   3.7275821   5.8199311  10.9403579   2.3240258   5.8945931
  10.5201767   1.6575356   6.6477061  11.4517221   1.7435110   5.1257540
   9.8552571   3.2244269   5.2921409  10.1991119   3.5278307   4.3021134
   8.5126247   2.4779714   5.0963257   8.2629257   2.0420573   3.9698705
   7.6042026   2.3495452   6.0926206   7.8147526   2.5871292   7.5113236
   7.5868638   3.6270581   7.7199291   8.8236250   2.3405921   7.8373146
   6.8000212   1.7067529   8.2319596   6.5574889   2.0904700   9.2227726
   7.1722291   0.6826966   8.2911547   5.6057257   1.7734571   7.2885309
   5.0646100   2.7008776   7.4741447   4.9449836   0.9146103   7.4112227
   6.2511633   1.8023281   5.8975153   6.3529250   0.7752273   5.5442894
   5.3615412   2.5696574   4.8972975   4.4182995   1.9913582   4.3534687
   5.6748304   3.8413329   4.6098973   6.4641725   4.2559909   5.0923526
   5.0443220   4.6598634   3.5590488   4.1221209   4.1793161   3.2303713
   4.6739588   6.0493157   4.1246467   5.5315318   6.4813702   4.6419788
   4.4331306   6.7103693   3.2917987   3.4379289   6.0553009   5.0444735
   3.0987420   7.0870141   5.1451500   2.6330607   5.4885221   4.5751820
   3.6938362   5.5120291   6.4488691   3.2209369   4.4514990   6.8361260
   4.4340211   6.2328190   7.2605283   4.8515429   7.0898026   6.9150701
   4.7087502   5.8598311   8.1698590   5.9339704   4.7741712   2.2962428
   5.6383760   5.5626639   1.3958972   7.0172075   3.9884902   2.2126649
   7.1827203   3.3483704   2.9794382   7.9930428   3.9354534   1.1160056
   8.8644013   3.4081024   1.5074377   7.4146813   3.0602823  -0.0082299
   7.1038384   2.0957763   0.3956857   6.5552225   3.5541527  -0.4631331
   8.1742345   2.8889490  -0.7719929   8.5276609   5.3123552   0.6470836
   8.8100602   5.5084770  -0.5391892   8.6609461   6.2720601   1.5770365
   8.4307710   6.0228648   2.5309474   9.0530899   7.6701790   1.3148406
   8.8801962   8.2013462   2.2487760  10.5757388   7.7198613   1.0205455
  11.0272411   6.7917879   1.3757395  10.7368959   7.7555315  -0.0576013
  11.3517373   8.8677465   1.6981324  11.2222446   8.7848279   2.7749921
  12.8443687   8.7268859   1.3916137  13.4039005   9.5055208   1.9103662
  13.0169575   8.8122535   0.3183614  13.2009577   7.7563022   1.7370192
  10.9199208  10.2696511   1.2693797  11.5350434  11.0154272   1.7724126
   9.8822074  10.4433552   1.5494650  11.0283512  10.3805629   0.1907358
   8.1540867   8.3786997   0.2626446   8.5844802   9.2551191  -0.4862874
   6.8874398   7.9927788   0.1540074   6.5357995   7.2423205   0.7333964
   6.2957230   8.4338235  -0.5310946
# Restraints file 2: NT_RST.dat
#
#   2 ASP  HN       2 ASP  HA      4.26             (#peak     1)
 &rst
  ifntyp= 1, ixpk= 1, nxpk= 0, iat=  28,  30, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  33 GLN  HN      33 GLN  HA      4.26             (#peak     2)
 &rst
  ifntyp= 1, ixpk= 2, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  32 PRO  HA     33 GLN  HN       3.48             (#peak     3)
 &rst
  ifntyp= 1, ixpk= 3, nxpk= 0, iat= 490, 494, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  34 ALA  HN      34 ALA  HA      4.09             (#peak     4)
 &rst
  ifntyp= 1, ixpk= 4, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  33 GLN  HA     34 ALA  HN       3.88             (#peak     5)
 &rst
  ifntyp= 1, ixpk= 5, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  15 ASP  HN      15 ASP  HA      4.03             (#peak     6)
 &rst
  ifntyp= 1, ixpk= 6, nxpk= 0, iat= 232, 234, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  29 SER  HN      29 SER  HA      3.75             (#peak     7)
 &rst
  ifntyp= 1, ixpk= 7, nxpk= 0, iat= 440, 442, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  29 SER  HN      29 SER  QB      3.70             (#peak     8)
 &rst
  ifntyp= 1, ixpk= 8, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 444, 445,
 &end
#
#  17 TRP  HN      17 TRP  HA      4.34             (#peak     9)
 &rst
  ifntyp= 1, ixpk= 9, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   6 ASP  HN       6 ASP  HA      3.82             (#peak    10)
 &rst
  ifntyp= 1, ixpk= 10, nxpk= 0, iat=  92,  94, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  26 VAL  HN      26 VAL  HA      4.01             (#peak    11)
 &rst
  ifntyp= 1, ixpk= 11, nxpk= 0, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  22 TYR  HN      22 TYR  HA      3.85             (#peak    12)
 &rst
  ifntyp= 1, ixpk= 12, nxpk= 0, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  23 ALA  HN      23 ALA  HA      3.66             (#peak    19)
 &rst
  ifntyp= 1, ixpk= 19, nxpk= 0, iat= 350, 352, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  19 ALA  HA     20 GLY  HN       4.24             (#peak    21)
 &rst
  ifntyp= 1, ixpk= 21, nxpk= 0, iat= 301, 309, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  12 GLY  HN      12 GLY  QA      4.01             (#peak    22)
 &rst
  ifntyp= 1, ixpk= 22, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 198, 199,
 &end
#
#  23 ALA  HA     24 ARG  HN       3.85             (#peak    23)
 &rst
  ifntyp= 1, ixpk= 23, nxpk= 0, iat= 352, 360, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  25 GLY  HN      25 GLY  QA      3.39             (#peak    24)
 &rst
  ifntyp= 1, ixpk= 24, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 386, 387,
 &end
#
#  20 GLY  HN      20 GLY  QA      3.63             (#peak    25)
 &rst
  ifntyp= 1, ixpk= 25, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 311, 312,
 &end
#
#  20 GLY  QA     21 ABU  HN       4.13             (#peak    26)
 &rst
  ifntyp= 1, ixpk= 26, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 311, 312,
 &end
#
#   5 LEU  HN       5 LEU  HA      4.37             (#peak    27)
 &rst
  ifntyp= 1, ixpk= 27, nxpk= 0, iat=  73,  75, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   4 LEU  HN       4 LEU  HA      4.16             (#peak    29)
 &rst
  ifntyp= 1, ixpk= 29, nxpk= 0, iat=  54,  56, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   5 LEU  HA      6 ASP  HN       4.37             (#peak    30)
 &rst
  ifntyp= 1, ixpk= 30, nxpk= 0, iat=  75,  92, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  18 SER  HN      18 SER  HA      3.87             (#peak    31)
 &rst
  ifntyp= 1, ixpk= 31, nxpk= 0, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  16 PHE  HN      16 PHE  HA      4.09             (#peak    32)
 &rst
  ifntyp= 1, ixpk= 32, nxpk= 0, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  11 GLU  HN      11 GLU  HA      4.10             (#peak    33)
 &rst
  ifntyp= 1, ixpk= 33, nxpk= 0, iat= 181, 183, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  15 ASP  HA     16 PHE  HN       4.60             (#peak    34)
 &rst
  ifntyp= 1, ixpk= 34, nxpk= 0, iat= 234, 244, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  28 LEU  HN      28 LEU  HA      3.47             (#peak    35)
 &rst
  ifntyp= 1, ixpk= 35, nxpk= 0, iat= 421, 423, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  29 SER  HA     30 GLU  HN       3.31             (#peak    36)
 &rst
  ifntyp= 1, ixpk= 36, nxpk= 0, iat= 442, 451, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  10 ARG  HA     11 GLU  HN       4.07             (#peak    37)
 &rst
  ifntyp= 1, ixpk= 37, nxpk= 0, iat= 159, 181, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  18 SER  HN      18 SER  HB2     3.97             (#peak    40)
 &rst
  ifntyp= 1, ixpk= 40, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  18 SER  HA     22 TYR  HN       4.60             (#peak    41)
 &rst
  ifntyp= 1, ixpk= 41, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  17 TRP  HA     18 SER  HN       4.16             (#peak    42)
 &rst
  ifntyp= 1, ixpk= 42, nxpk= 0, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  22 TYR  HA     23 ALA  HN       4.13             (#peak    43)
 &rst
  ifntyp= 1, ixpk= 43, nxpk= 0, iat= 331, 350, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  16 PHE  HA     20 GLY  HN       4.41             (#peak    45)
 &rst
  ifntyp= 1, ixpk= 45, nxpk= 0, iat= 246, 309, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  25 GLY  QA     26 VAL  HN       3.55             (#peak    46)
 &rst
  ifntyp= 1, ixpk= 46, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 386, 387,
 &end
#
#  32 PRO  HA     34 ALA  HN       4.92             (#peak    48)
 &rst
  ifntyp= 1, ixpk= 48, nxpk= 0, iat= 490, 511, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  24 ARG  HA     25 GLY  HN       3.98             (#peak    49)
 &rst
  ifntyp= 1, ixpk= 49, nxpk= 0, iat= 362, 384, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  17 TRP  HA     20 GLY  HN       4.51             (#peak    50)
 &rst
  ifntyp= 1, ixpk= 50, nxpk= 0, iat= 266, 309, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  24 ARG  QD     24 ARG  HE      3.76             (#peak    53)
 &rst
  ifntyp= 1, ixpk= 53, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 370, 371,
 &end
#
#  10 ARG  QD     10 ARG  HE      3.59             (#peak    54)
 &rst
  ifntyp= 1, ixpk= 54, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 167, 168,
 &end
#
#   9 ARG  QD      9 ARG  HE      3.63             (#peak    55)
 &rst
  ifntyp= 1, ixpk= 55, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 143, 144,
 &end
#
#  10 ARG  HG3    10 ARG  HE      4.63             (#peak    56)
 &rst
  ifntyp= 1, ixpk= 56, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  24 ARG  HG2    24 ARG  HE      4.70             (#peak    57)
 &rst
  ifntyp= 1, ixpk= 57, nxpk= 0, iat= 367, 373, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  24 ARG  HB3    24 ARG  HE      5.01             (#peak    58)
 &rst
  ifntyp= 1, ixpk= 58, nxpk= 0, iat= 365, 373, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  24 ARG  HB2    24 ARG  HE      4.93             (#peak    59)
 &rst
  ifntyp= 1, ixpk= 59, nxpk= 0, iat= 364, 373, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  10 ARG  QB     10 ARG  HE      4.55             (#peak    60)
 &rst
  ifntyp= 1, ixpk= 60, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 161, 162,
 &end
#
#  10 ARG  HG2    10 ARG  HE      4.76             (#peak    61)
 &rst
  ifntyp= 1, ixpk= 61, nxpk= 0, iat= 164, 170, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  24 ARG  HN      24 ARG  QD      4.68             (#peak    68)
 &rst
  ifntyp= 1, ixpk= 68, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 370, 371,
 &end
#
#  10 ARG  HN      10 ARG  QD      4.70             (#peak    69)
 &rst
  ifntyp= 1, ixpk= 69, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 167, 168,
 &end
#
#   9 ARG  QD     10 ARG  HN       4.93             (#peak    70)
 &rst
  ifntyp= 1, ixpk= 70, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 143, 144,
 &end
#
#   9 ARG  HN       9 ARG  QD      4.53             (#peak    71)
 &rst
  ifntyp= 1, ixpk= 71, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 143, 144,
 &end
#
#  21 ABU  QB     21 ABU  HN       3.60             (#peak    72)
 &rst
  ifntyp= 1, ixpk= 72, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 320, 321,
 &end
#
#  24 ARG  HN      24 ARG  HG2     4.36             (#peak    73)
 &rst
  ifntyp= 1, ixpk= 73, nxpk= 0, iat= 360, 367, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  24 ARG  HN      24 ARG  HB3     4.10             (#peak    74)
 &rst
  ifntyp= 1, ixpk= 74, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  24 ARG  HN      24 ARG  HB2     4.20             (#peak    75)
 &rst
  ifntyp= 1, ixpk= 75, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  10 ARG  HN      10 ARG  HG3     4.32             (#peak    76)
 &rst
  ifntyp= 1, ixpk= 76, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  10 ARG  HN      10 ARG  HG2     3.82             (#peak    77)
 &rst
  ifntyp= 1, ixpk= 77, nxpk= 0, iat= 157, 164, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  10 ARG  HN      10 ARG  QB      3.82             (#peak    78)
 &rst
  ifntyp= 1, ixpk= 78, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 161, 162,
 &end
#
#   9 ARG  HN       9 ARG  HB2     4.17             (#peak    79)
 &rst
  ifntyp= 1, ixpk= 79, nxpk= 0, iat= 133, 137, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   9 ARG  HN       9 ARG  HB3     3.71             (#peak    80)
 &rst
  ifntyp= 1, ixpk= 80, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   9 ARG  HN       9 ARG  HG2     3.83             (#peak    81)
 &rst
  ifntyp= 1, ixpk= 81, nxpk= 0, iat= 133, 140, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   9 ARG  HN       9 ARG  HG3     3.82             (#peak    82)
 &rst
  ifntyp= 1, ixpk= 82, nxpk= 0, iat= 133, 141, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  18 SER  HN      21 ABU  QB      5.41             (#peak    84)
 &rst
  ifntyp= 1, ixpk= 84, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 320, 321,
 &end
#
#  20 GLY  HN      21 ABU  QG      5.35             (#peak    86)
 &rst
  ifntyp= 1, ixpk= 86, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 324, 325,
 &end
#
#  33 GLN  HN      33 GLN  QG      4.59             (#peak    87)
 &rst
  ifntyp= 1, ixpk= 87, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 501, 502,
 &end
#
#  33 GLN  HN      33 GLN  HB3     4.14             (#peak    88)
 &rst
  ifntyp= 1, ixpk= 88, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  30 GLU  HN      30 GLU  HA      4.33             (#peak    90)
 &rst
  ifntyp= 1, ixpk= 90, nxpk= 0, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  30 GLU  HN      30 GLU  QG      4.30             (#peak    91)
 &rst
  ifntyp= 1, ixpk= 91, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 458, 459,
 &end
#
#  30 GLU  HN      30 GLU  HB2     4.20             (#peak    92)
 &rst
  ifntyp= 1, ixpk= 92, nxpk= 0, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  30 GLU  HN      30 GLU  HB3     4.04             (#peak    93)
 &rst
  ifntyp= 1, ixpk= 93, nxpk= 0, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  11 GLU  HN      11 GLU  HG2     4.64             (#peak    94)
 &rst
  ifntyp= 1, ixpk= 94, nxpk= 0, iat= 181, 188, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  11 GLU  HN      11 GLU  QB      4.37             (#peak    96)
 &rst
  ifntyp= 1, ixpk= 96, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 185, 186,
 &end
#
#  11 GLU  HG2    12 GLY  HN       5.43             (#peak    97)
 &rst
  ifntyp= 1, ixpk= 97, nxpk= 0, iat= 188, 196, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  11 GLU  QB     12 GLY  HN       4.76             (#peak    98)
 &rst
  ifntyp= 1, ixpk= 98, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 185, 186,
 &end
#
#  11 GLU  HA     15 ASP  HN       4.67             (#peak    99)
 &rst
  ifntyp= 1, ixpk= 99, nxpk= 0, iat= 183, 232, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  15 ASP  HN      15 ASP  HB3     4.33             (#peak   100)
 &rst
  ifntyp= 1, ixpk= 100, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  15 ASP  HN      15 ASP  HB2     4.25             (#peak   101)
 &rst
  ifntyp= 1, ixpk= 101, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  15 ASP  HB2    16 PHE  HN       4.71             (#peak   103)
 &rst
  ifntyp= 1, ixpk= 103, nxpk= 0, iat= 236, 244, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   6 ASP  HN       6 ASP  QB      3.85             (#peak   104)
 &rst
  ifntyp= 1, ixpk= 104, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=  96,  97,
 &end
#
#   6 ASP  QB      7 ALA  HN       4.13             (#peak   105)
 &rst
  ifntyp= 1, ixpk= 105, nxpk= 0, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=  96,  97,
 &end
#
#  16 PHE  HN      16 PHE  QB      4.09             (#peak   106)
 &rst
  ifntyp= 1, ixpk= 106, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 248, 249,
 &end
#
#  22 TYR  HN      22 TYR  HB2     3.99             (#peak   107)
 &rst
  ifntyp= 1, ixpk= 107, nxpk= 0, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  22 TYR  HN      22 TYR  HB3     4.00             (#peak   108)
 &rst
  ifntyp= 1, ixpk= 108, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  22 TYR  HB3    23 ALA  HN       4.45             (#peak   109)
 &rst
  ifntyp= 1, ixpk= 109, nxpk= 0, iat= 334, 350, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  16 PHE  QB     20 GLY  HN       5.50             (#peak   110)
 &rst
  ifntyp= 1, ixpk= 110, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 248, 249,
 &end
#
#  23 ALA  HN      24 ARG  QD      5.27             (#peak   111)
 &rst
  ifntyp= 1, ixpk= 111, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 370, 371,
 &end
#
#  23 ALA  QB     24 ARG  HN       3.94             (#peak   117)
 &rst
  ifntyp= 1, ixpk= 117, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 354, 355, 356,
 &end
#
#  10 ARG  QB     11 GLU  HN       4.15             (#peak   118)
 &rst
  ifntyp= 1, ixpk= 118, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 161, 162,
 &end
#
#  10 ARG  HG3    11 GLU  HN       4.21             (#peak   120)
 &rst
  ifntyp= 1, ixpk= 120, nxpk= 0, iat= 165, 181, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   7 ALA  HA     11 GLU  HN       4.55             (#peak   122)
 &rst
  ifntyp= 1, ixpk= 122, nxpk= 0, iat= 106, 181, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   4 LEU  HN       4 LEU  QB      4.11             (#peak   124)
 &rst
  ifntyp= 1, ixpk= 124, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=  58,  59,
 &end
#
#   5 LEU  HN       5 LEU  QB      3.86             (#peak   126)
 &rst
  ifntyp= 1, ixpk= 126, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=  77,  78,
 &end
#
#  28 LEU  HN      28 LEU  QB      4.02             (#peak   133)
 &rst
  ifntyp= 1, ixpk= 133, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 425, 426,
 &end
#
#  35 LEU  HN      35 LEU  QB      3.92             (#peak   135)
 &rst
  ifntyp= 1, ixpk= 135, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 525, 526,
 &end
#
#  35 LEU  HN      35 LEU  HG      4.59             (#peak   136)
 &rst
  ifntyp= 1, ixpk= 136, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   6 ASP  QB     10 ARG  HN       4.86             (#peak   137)
 &rst
  ifntyp= 1, ixpk= 137, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=  96,  97,
 &end
#
#  34 ALA  HN      35 LEU  HN       4.49             (#peak   140)
 &rst
  ifntyp= 1, ixpk= 140, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  21 ABU  HN      23 ALA  HN       3.69             (#peak   144)
 &rst
  ifntyp= 1, ixpk= 144, nxpk= 0, iat= 316, 350, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   5 LEU  HN       6 ASP  HN       4.42             (#peak   145)
 &rst
  ifntyp= 1, ixpk= 145, nxpk= 0, iat=  73,  92, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  33 GLN  HN      34 ALA  HN       4.37             (#peak   146)
 &rst
  ifntyp= 1, ixpk= 146, nxpk= 0, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   4 LEU  HN       5 LEU  HN       4.42             (#peak   148)
 &rst
  ifntyp= 1, ixpk= 148, nxpk= 0, iat=  54,  73, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  20 GLY  HN      21 ABU  HN       4.11             (#peak   149)
 &rst
  ifntyp= 1, ixpk= 149, nxpk= 0, iat= 309, 316, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  19 ALA  HN      20 GLY  HN       4.31             (#peak   150)
 &rst
  ifntyp= 1, ixpk= 150, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   9 ARG  HN      10 ARG  HN       4.06             (#peak   152)
 &rst
  ifntyp= 1, ixpk= 152, nxpk= 0, iat= 133, 157, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  23 ALA  HN      24 ARG  HN       3.68             (#peak   154)
 &rst
  ifntyp= 1, ixpk= 154, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  18 SER  HA     22 TYR  HN       4.69             (#peak   155)
 &rst
  ifntyp= 1, ixpk= 155, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  29 SER  HN      30 GLU  QG      5.33             (#peak   156)
 &rst
  ifntyp= 1, ixpk= 156, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 458, 459,
 &end
#
#  17 TRP  HN      17 TRP  HB2     4.43             (#peak   157)
 &rst
  ifntyp= 1, ixpk= 157, nxpk= 0, iat= 264, 268, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  17 TRP  HN      17 TRP  HB3     4.38             (#peak   158)
 &rst
  ifntyp= 1, ixpk= 158, nxpk= 0, iat= 264, 269, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  15 ASP  HN      16 PHE  HN       4.33             (#peak   161)
 &rst
  ifntyp= 1, ixpk= 161, nxpk= 0, iat= 232, 244, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  10 ARG  HN      11 GLU  HN       5.04             (#peak   162)
 &rst
  ifntyp= 1, ixpk= 162, nxpk= 0, iat= 157, 181, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  11 GLU  HN      12 GLY  HN       4.53             (#peak   163)
 &rst
  ifntyp= 1, ixpk= 163, nxpk= 0, iat= 181, 196, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  18 SER  HN      19 ALA  HN       4.27             (#peak   164)
 &rst
  ifntyp= 1, ixpk= 164, nxpk= 0, iat= 288, 299, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  12 GLY  HN      13 ALA  HN       5.09             (#peak   166)
 &rst
  ifntyp= 1, ixpk= 166, nxpk= 0, iat= 196, 203, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   5 LEU  HN       7 ALA  HN       5.17             (#peak   167)
 &rst
  ifntyp= 1, ixpk= 167, nxpk= 0, iat=  73, 104, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  15 ASP  HA    19 ALA  HN       4.65             (#peak   170)
 &rst
  ifntyp= 1, ixpk= 170, nxpk= 0, iat= 234, 299, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  33 GLN  HB3    34 ALA  HN       4.82             (#peak   171)
 &rst
  ifntyp= 1, ixpk= 171, nxpk= 0, iat= 499, 511, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  33 GLN  HB2    34 ALA  HN       4.82             (#peak   172)
 &rst
  ifntyp= 1, ixpk= 172, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  32 PRO  HG3    33 GLN  HN       4.64             (#peak   173)
 &rst
  ifntyp= 1, ixpk= 173, nxpk= 0, iat= 485, 494, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  30 GLU  HB2    35 LEU  HN       5.17             (#peak   174)
 &rst
  ifntyp= 1, ixpk= 174, nxpk= 0, iat= 455, 521, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  10 ARG  HN      11 GLU  QB      5.50             (#peak   175)
 &rst
  ifntyp= 1, ixpk= 175, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#  26 VAL  HN      26 VAL  HB      3.90             (#peak   176)
 &rst
  ifntyp= 1, ixpk= 176, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  22 TYR  HN      26 VAL  HB      5.15             (#peak   177)
 &rst
  ifntyp= 1, ixpk= 177, nxpk= 0, iat= 329, 395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  28 LEU  HN      33 GLN  HB2     5.50             (#peak   178)
 &rst
  ifntyp= 1, ixpk= 178, nxpk= 0, iat= 421, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 LEU  HN      30 GLU  HB3     5.50             (#peak   179)
 &rst
  ifntyp= 1, ixpk= 179, nxpk= 0, iat= 421, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  13 ALA  QB     16 PHE  HN       3.96             (#peak   180)
 &rst
  ifntyp= 1, ixpk= 180, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 207, 208, 209,
 &end
#
#  28 LEU  HN      28 LEU  QD1     4.76             (#peak   181)
 &rst
  ifntyp= 1, ixpk= 181, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 430, 431, 432,
 &end
#
#  35 LEU  HN      35 LEU  QD1     5.17             (#peak   182)
 &rst
  ifntyp= 1, ixpk= 182, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 530, 531, 532,
 &end
#
#  35 LEU  HN      35 LEU  QD2     5.21             (#peak   183)
 &rst
  ifntyp= 1, ixpk= 183, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 534, 535, 536,
 &end
#
#  28 LEU  HN      28 LEU  QD2     4.67             (#peak   184)
 &rst
  ifntyp= 1, ixpk= 184, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 434, 435, 436,
 &end
#
#  28 LEU  QD1    30 GLU  HN       5.26             (#peak   185)
 &rst
  ifntyp= 1, ixpk= 185, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 430, 431, 432,
 &end
#
#  28 LEU  QD2    30 GLU  HN       5.21             (#peak   186)
 &rst
  ifntyp= 1, ixpk= 186, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 434, 435, 436,
 &end
#
#   5 LEU  QD2     6 ASP  HN       4.80             (#peak   187)
 &rst
  ifntyp= 1, ixpk= 187, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=  86,  87,  88,
 &end
#
#   5 LEU  QD1     6 ASP  HN       4.98             (#peak   188)
 &rst
  ifntyp= 1, ixpk= 188, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=  82,  83,  84,
 &end
#
#  17 TRP  HD1    21 ABU  HA      5.38             (#peak   197)
 &rst
  ifntyp= 1, ixpk= 197, nxpk= 0, iat= 272, 318, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  22 TYR  HB3    22 TYR  QD      3.59             (#peak   199)
 &rst
  ifntyp= 1, ixpk= 199, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 337, 346,
 &end
#
#  22 TYR  HB2    22 TYR  QD      3.54             (#peak   200)
 &rst
  ifntyp= 1, ixpk= 200, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 337, 346,
 &end
#
#  33 GLN  QG     34 ALA  HN       5.31             (#peak   203)
 &rst
  ifntyp= 1, ixpk= 203, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 501, 502,
 &end
#
#   8 NLE  QE      8 NLE  HN       5.00             (#peak   204)
 &rst
  ifntyp= 1, ixpk= 204, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 127, 128, 129,
 &end
#
#  21 ABU  QG     22 TYR  QD      4.95             (#peak   208)
 &rst
  ifntyp= 1, ixpk= 208, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 324, 325,
 igr2= 337, 346,
 &end
#
#  17 TRP  HA     17 TRP  HE3     3.73             (#peak   210)
 &rst
  ifntyp= 1, ixpk= 210, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  17 TRP  HA     17 TRP  HD1     4.59             (#peak   212)
 &rst
  ifntyp= 1, ixpk= 212, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  17 TRP  HA     17 TRP  HH2     4.21             (#peak   213)
 &rst
  ifntyp= 1, ixpk= 213, nxpk= 0, iat= 266, 279, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   7 ALA  QB      8 NLE  HA      4.69             (#peak   221)
 &rst
  ifntyp= 1, ixpk= 221, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 108, 109, 110,
 &end
#
#  35 LEU  HA     35 LEU  HG      4.52             (#peak   224)
 &rst
  ifntyp= 1, ixpk= 224, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   4 LEU  HA      4 LEU  HG      3.43             (#peak   225)
 &rst
  ifntyp= 1, ixpk= 225, nxpk= 0, iat=  56,  61, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   4 LEU  HA      4 LEU  QB      3.37             (#peak   226)
 &rst
  ifntyp= 1, ixpk= 226, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=  58,  59,
 &end
#
#  24 ARG  HA     24 ARG  HB3     3.96             (#peak   227)
 &rst
  ifntyp= 1, ixpk= 227, nxpk= 0, iat= 362, 365, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  24 ARG  HA     24 ARG  HB2     3.88             (#peak   228)
 &rst
  ifntyp= 1, ixpk= 228, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  24 ARG  HA     24 ARG  HG2     4.40             (#peak   229)
 &rst
  ifntyp= 1, ixpk= 229, nxpk= 0, iat= 362, 367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  21 ABU  QB     21 ABU  HA      3.61             (#peak   230)
 &rst
  ifntyp= 1, ixpk= 230, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 320, 321,
 &end
#
#   9 ARG  HA      9 ARG  HG2     3.78             (#peak   231)
 &rst
  ifntyp= 1, ixpk= 231, nxpk= 0, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   9 ARG  HA      9 ARG  HB3     3.68             (#peak   232)
 &rst
  ifntyp= 1, ixpk= 232, nxpk= 0, iat= 135, 138, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   9 ARG  HA      9 ARG  HB2     3.88             (#peak   233)
 &rst
  ifntyp= 1, ixpk= 233, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   9 ARG  HA      9 ARG  HG3     3.67             (#peak   234)
 &rst
  ifntyp= 1, ixpk= 234, nxpk= 0, iat= 135, 141, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  24 ARG  HB3    27 PRO  HD2     4.01             (#peak   235)
 &rst
  ifntyp= 1, ixpk= 235, nxpk= 0, iat= 365, 408, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  33 GLN  HA     33 GLN  HB3     3.94             (#peak   236)
 &rst
  ifntyp= 1, ixpk= 236, nxpk= 0, iat= 496, 499, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   3 PRO  QG      3 PRO  HD2     3.98             (#peak   239)
 &rst
  ifntyp= 1, ixpk= 239, nxpk= 0, iat=  -1,  41, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  44,  45,
 &end
#
#  25 GLY  QA     30 GLU  HB2     3.86             (#peak   240)
 &rst
  ifntyp= 1, ixpk= 240, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 386, 387,
 &end
#
#  26 VAL  HA     26 VAL  HB      4.39             (#peak   242)
 &rst
  ifntyp= 1, ixpk= 242, nxpk= 0, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  27 PRO  HD2    30 GLU  QG      4.50             (#peak   248)
 &rst
  ifntyp= 1, ixpk= 248, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 458, 459,
 &end
#
#  22 TYR  HB3    24 ARG  HA      4.76             (#peak   252)
 &rst
  ifntyp= 1, ixpk= 252, nxpk= 0, iat= 334, 362, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  22 TYR  HB2    24 ARG  HA      4.52             (#peak   253)
 &rst
  ifntyp= 1, ixpk= 253, nxpk= 0, iat= 333, 362, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  16 PHE  QB     19 ALA  HA      4.41             (#peak   254)
 &rst
  ifntyp= 1, ixpk= 254, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 248, 249,
 &end
#
#  10 ARG  HA     10 ARG  QD      4.01             (#peak   255)
 &rst
  ifntyp= 1, ixpk= 255, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 167, 168,
 &end
#
#  24 ARG  HA     24 ARG  QD      4.47             (#peak   256)
 &rst
  ifntyp= 1, ixpk= 256, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 370, 371,
 &end
#
#   9 ARG  HA      9 ARG  QD      3.96             (#peak   257)
 &rst
  ifntyp= 1, ixpk= 257, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 143, 144,
 &end
#
#  18 SER  HB2    19 ALA  HA      4.48             (#peak   264)
 &rst
  ifntyp= 1, ixpk= 264, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  24 ARG  QD     25 GLY  QA      4.71             (#peak   265)
 &rst
  ifntyp= 1, ixpk= 265, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 370, 371,
 igr2= 386, 387,
 &end
#
#  21 ABU  HA     24 ARG  HB3     4.49             (#peak   266)
 &rst
  ifntyp= 1, ixpk= 266, nxpk= 0, iat= 318, 365, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  28 LEU  HA     28 LEU  QD1     4.39             (#peak   267)
 &rst
  ifntyp= 1, ixpk= 267, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 430, 431, 432,
 &end
#
#  28 LEU  HA     28 LEU  QD2     4.19             (#peak   268)
 &rst
  ifntyp= 1, ixpk= 268, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 434, 435, 436,
 &end
#
#   8 NLE  QE      8 NLE  HA      4.56             (#peak   274)
 &rst
  ifntyp= 1, ixpk= 274, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 127, 128, 129,
 &end
#
#  21 ABU  HA     26 VAL  QQG     4.37             (#peak   276)
 &rst
  ifntyp= 1, ixpk= 276, nxpk= 0, iat= 318, 394, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,  &end
#
#   8 NLE  QD      9 ARG  HA      4.12             (#peak   280)
 &rst
  ifntyp= 1, ixpk= 280, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 124, 125,
 &end
#
#  24 ARG  HB2    27 PRO  HD3     4.26             (#peak   282)
 &rst
  ifntyp= 1, ixpk= 282, nxpk= 0, iat= 364, 409, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  10 ARG  HG3    10 ARG  QD      3.34             (#peak   284)
 &rst
  ifntyp= 1, ixpk= 284, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 167, 168,
 &end
#
#  24 ARG  HG2    24 ARG  QD      3.57             (#peak   285)
 &rst
  ifntyp= 1, ixpk= 285, nxpk= 0, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 370, 371,
 &end
#
#  24 ARG  HB3    24 ARG  QD      3.42             (#peak   286)
 &rst
  ifntyp= 1, ixpk= 286, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 370, 371,
 &end
#
#  10 ARG  HG2    10 ARG  QD      3.56             (#peak   287)
 &rst
  ifntyp= 1, ixpk= 287, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 167, 168,
 &end
#
#  10 ARG  QB     10 ARG  QD      3.44             (#peak   288)
 &rst
  ifntyp= 1, ixpk= 288, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 161, 162,
 igr2= 167, 168,
 &end
#
#  30 GLU  HB2    30 GLU  QG      3.56             (#peak   291)
 &rst
  ifntyp= 1, ixpk= 291, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 458, 459,
 &end
#
#  27 PRO  HG3    27 PRO  QB      3.23             (#peak   296)
 &rst
  ifntyp= 1, ixpk= 296, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 414, 415,
 &end
#
#  27 PRO  QB     30 GLU  HB2     3.80             (#peak   297)
 &rst
  ifntyp= 1, ixpk= 297, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 414, 415,
 &end
#
#  10 ARG  HG3    10 ARG  HG2     3.05             (#peak   299)
 &rst
  ifntyp= 1, ixpk= 299, nxpk= 0, iat= 165, 164, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#   9 ARG  HB3     9 ARG  HG3     3.31             (#peak   301)
 &rst
  ifntyp= 1, ixpk= 301, nxpk= 0, iat= 138, 141, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  24 ARG  HB2    24 ARG  HB3     3.12             (#peak   302)
 &rst
  ifntyp= 1, ixpk= 302, nxpk= 0, iat= 364, 365, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  11 GLU  QB     11 GLU  HG3     4.20             (#peak   303)
 &rst
  ifntyp= 1, ixpk= 303, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 185, 186,
 &end
#
#  11 GLU  QB     11 GLU  HG2     4.26             (#peak   304)
 &rst
  ifntyp= 1, ixpk= 304, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 185, 186,
 &end
#
#  10 ARG  QB     11 GLU  HG3     3.48             (#peak   305)
 &rst
  ifntyp= 1, ixpk= 305, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 161, 162,
 &end
#
#  30 GLU  HB3    30 GLU  QG      3.95             (#peak   306)
 &rst
  ifntyp= 1, ixpk= 306, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 458, 459,
 &end
#
#  32 PRO  QB     32 PRO  HG2     3.63             (#peak   307)
 &rst
  ifntyp= 1, ixpk= 307, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 487, 488,
 &end
#
#  32 PRO  QB     32 PRO  HG3     3.09             (#peak   308)
 &rst
  ifntyp= 1, ixpk= 308, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 487, 488,
 &end
#
#  33 GLN  HB2    33 GLN  QG      3.96             (#peak   309)
 &rst
  ifntyp= 1, ixpk= 309, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 501, 502,
 &end
#
#  21 ABU  QB     21 ABU  QG      3.36             (#peak   311)
 &rst
  ifntyp= 1, ixpk= 311, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 320, 321,
 igr2= 324, 325,
 &end
#
#  21 ABU  QG     21 ABU  HA      3.61             (#peak   312)
 &rst
  ifntyp= 1, ixpk= 312, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 324, 325,
 &end
#
#  21 ABU  QG     22 TYR  HA      4.60             (#peak   314)
 &rst
  ifntyp= 1, ixpk= 314, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 324, 325,
 &end
#
#  35 LEU  HA     35 LEU  QD2     3.75             (#peak   315)
 &rst
  ifntyp= 1, ixpk= 315, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 534, 535, 536,
 &end
#
#  35 LEU  HA     35 LEU  QD1     4.81             (#peak   316)
 &rst
  ifntyp= 1, ixpk= 316, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 530, 531, 532,
 &end
#
#   4 LEU  HA      4 LEU  QD1     3.50             (#peak   317)
 &rst
  ifntyp= 1, ixpk= 317, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  63,  64,  65,
 &end
#
#   4 LEU  HA      4 LEU  QD2     3.78             (#peak   318)
 &rst
  ifntyp= 1, ixpk= 318, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=  67,  68,  69,
 &end
#
#   5 LEU  HA      5 LEU  QD1     3.73             (#peak   319)
 &rst
  ifntyp= 1, ixpk= 319, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=  82,  83,  84,
 &end
#
#   5 LEU  HA      5 LEU  QD2     3.47             (#peak   320)
 &rst
  ifntyp= 1, ixpk= 320, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=  86,  87,  88,
 &end
#
#  25 GLY  QA     26 VAL  QQG     4.05             (#peak   321)
 &rst
  ifntyp= 1, ixpk= 321, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 386, 387,
 &end
#
#  27 PRO  HD3    28 LEU  QD1     4.04             (#peak   322)
 &rst
  ifntyp= 1, ixpk= 322, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 430, 431, 432,
 &end
#
#  27 PRO  HD2    28 LEU  QD1     4.17             (#peak   323)
 &rst
  ifntyp= 1, ixpk= 323, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 430, 431, 432,
 &end
#
#  26 VAL  QQG    27 PRO  HD2     4.31             (#peak   324)
 &rst
  ifntyp= 1, ixpk= 324, nxpk= 0, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#  26 VAL  QQG    27 PRO  HD3     4.18             (#peak   325)
 &rst
  ifntyp= 1, ixpk= 325, nxpk= 0, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,  &end
#
#   5 LEU  HA      5 LEU  QB      3.71             (#peak   330)
 &rst
  ifntyp= 1, ixpk= 330, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=  77,  78,
 &end
#
#   7 ALA  HA      7 ALA  QB      3.08             (#peak   333)
 &rst
  ifntyp= 1, ixpk= 333, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 108, 109, 110,
 &end
#
#  23 ALA  HA     23 ALA  QB      3.18             (#peak   334)
 &rst
  ifntyp= 1, ixpk= 334, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 354, 355, 356,
 &end
#
#  13 ALA  HA     13 ALA  QB      3.07             (#peak   335)
 &rst
  ifntyp= 1, ixpk= 335, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 207, 208, 209,
 &end
#
#  19 ALA  HA     19 ALA  QB      3.10             (#peak   336)
 &rst
  ifntyp= 1, ixpk= 336, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 303, 304, 305,
 &end
#
#  35 LEU  HA     35 LEU  QB      3.92             (#peak   337)
 &rst
  ifntyp= 1, ixpk= 337, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 525, 526,
 &end
#
#  34 ALA  HA     34 ALA  QB      3.28             (#peak   338)
 &rst
  ifntyp= 1, ixpk= 338, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 515, 516, 517,
 &end
#
#  28 LEU  HA     28 LEU  QB      4.01             (#peak   339)
 &rst
  ifntyp= 1, ixpk= 339, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 425, 426,
 &end
#
#  20 GLY  QA     23 ALA  QB      4.28             (#peak   342)
 &rst
  ifntyp= 1, ixpk= 342, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 311, 312,
 igr2= 354, 355, 356,
 &end
#
#  22 TYR  HA     23 ALA  QB      4.67             (#peak   345)
 &rst
  ifntyp= 1, ixpk= 345, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 354, 355, 356,
 &end
#
#   9 ARG  HB3    10 ARG  HA      3.54             (#peak   349)
 &rst
  ifntyp= 1, ixpk= 349, nxpk= 0, iat= 138, 159, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  11 GLU  HA     11 GLU  QB      4.01             (#peak   350)
 &rst
  ifntyp= 1, ixpk= 350, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 185, 186,
 &end
#
#  27 PRO  HD3    27 PRO  HG3     3.72             (#peak   351)
 &rst
  ifntyp= 1, ixpk= 351, nxpk= 0, iat= 409, 412, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  27 PRO  HD3    30 GLU  HB2     3.95             (#peak   352)
 &rst
  ifntyp= 1, ixpk= 352, nxpk= 0, iat= 409, 455, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   1 ARG  HA      3 PRO  QG      3.78             (#peak   353)
 &rst
  ifntyp= 1, ixpk= 353, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=  44,  45,
 &end
#
#  11 GLU  HA     11 GLU  HG3     4.13             (#peak   354)
 &rst
  ifntyp= 1, ixpk= 354, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  11 GLU  HA     11 GLU  HG2     4.24             (#peak   355)
 &rst
  ifntyp= 1, ixpk= 355, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  30 GLU  HA     30 GLU  QG      4.57             (#peak   356)
 &rst
  ifntyp= 1, ixpk= 356, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 458, 459,
 &end
#
#  30 GLU  HA     30 GLU  HB3     4.81             (#peak   357)
 &rst
  ifntyp= 1, ixpk= 357, nxpk= 0, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  30 GLU  HA     30 GLU  HB2     4.47             (#peak   358)
 &rst
  ifntyp= 1, ixpk= 358, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   2 ASP  HA      2 ASP  HB2     4.49             (#peak   359)
 &rst
  ifntyp= 1, ixpk= 359, nxpk= 0, iat=  30,  32, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   2 ASP  HA      2 ASP  HB3     4.31             (#peak   360)
 &rst
  ifntyp= 1, ixpk= 360, nxpk= 0, iat=  30,  33, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   6 ASP  HA      6 ASP  QB      3.56             (#peak   361)
 &rst
  ifntyp= 1, ixpk= 361, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=  96,  97,
 &end
#
#  15 ASP  HA     15 ASP  HB2     4.07             (#peak   362)
 &rst
  ifntyp= 1, ixpk= 362, nxpk= 0, iat= 234, 236, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  15 ASP  HA     15 ASP  HB3     4.00             (#peak   363)
 &rst
  ifntyp= 1, ixpk= 363, nxpk= 0, iat= 234, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  22 TYR  HA     22 TYR  HB3     3.90             (#peak   364)
 &rst
  ifntyp= 1, ixpk= 364, nxpk= 0, iat= 331, 334, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  22 TYR  HA     22 TYR  HB2     3.93             (#peak   365)
 &rst
  ifntyp= 1, ixpk= 365, nxpk= 0, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  16 PHE  HA     16 PHE  QB      3.88             (#peak   366)
 &rst
  ifntyp= 1, ixpk= 366, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 248, 249,
 &end
#
#  29 SER  HA     29 SER  QB      3.59             (#peak   367)
 &rst
  ifntyp= 1, ixpk= 367, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 444, 445,
 &end
#
#  18 SER  HA     18 SER  HB3     3.81             (#peak   368)
 &rst
  ifntyp= 1, ixpk= 368, nxpk= 0, iat= 290, 293, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  18 SER  HA     18 SER  HB2     3.72             (#peak   369)
 &rst
  ifntyp= 1, ixpk= 369, nxpk= 0, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  26 VAL  HA     27 PRO  HD2     3.67             (#peak   370)
 &rst
  ifntyp= 1, ixpk= 370, nxpk= 0, iat= 393, 408, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  27 PRO  HD2    27 PRO  HD3     3.28             (#peak   371)
 &rst
  ifntyp= 1, ixpk= 371, nxpk= 0, iat= 408, 409, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  32 PRO  HD2    32 PRO  HD3     3.22             (#peak   372)
 &rst
  ifntyp= 1, ixpk= 372, nxpk= 0, iat= 481, 482, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   5 LEU  HN       5 LEU  HG      4.07             (#peak   376)
 &rst
  ifntyp= 1, ixpk= 376, nxpk= 0, iat=  73,  80, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   7 ALA  HN       7 ALA  QB      3.48             (#peak   382)
 &rst
  ifntyp= 1, ixpk= 382, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 108, 109, 110,
 &end
#
#  13 ALA  HN      13 ALA  QB      3.43             (#peak   391)
 &rst
  ifntyp= 1, ixpk= 391, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 207, 208, 209,
 &end
#
#  23 ALA  HN      23 ALA  QB      3.45             (#peak   392)
 &rst
  ifntyp= 1, ixpk= 392, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 354, 355, 356,
 &end
#
#  19 ALA  HN      19 ALA  QB      3.40             (#peak   393)
 &rst
  ifntyp= 1, ixpk= 393, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 303, 304, 305,
 &end
#
#  21 ABU  HN      23 ALA  QB      3.81             (#peak   394)
 &rst
  ifntyp= 1, ixpk= 394, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 354, 355, 356,
 &end
#
#   8 NLE  QD     10 ARG  HN       4.20             (#peak   395)
 &rst
  ifntyp= 1, ixpk= 395, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 124, 125,
 &end
#
#  19 ALA  QB     20 GLY  HN       3.86             (#peak   396)
 &rst
  ifntyp= 1, ixpk= 396, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 303, 304, 305,
 &end
#
#  10 ARG  HG2    11 GLU  HN       4.52             (#peak   397)
 &rst
  ifntyp= 1, ixpk= 397, nxpk= 0, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   5 LEU  QB      6 ASP  HN       4.30             (#peak   398)
 &rst
  ifntyp= 1, ixpk= 398, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  77,  78,
 &end
#
#   7 ALA  QB      8 NLE  HN       3.81             (#peak   399)
 &rst
  ifntyp= 1, ixpk= 399, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 108, 109, 110,
 &end
#
#   4 LEU  HN       4 LEU  HG      3.76             (#peak   400)
 &rst
  ifntyp= 1, ixpk= 400, nxpk= 0, iat=  54,  61, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  33 GLN  HN      33 GLN  HB2     4.42             (#peak   403)
 &rst
  ifntyp= 1, ixpk= 403, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   3 PRO  QG      4 LEU  HN       4.73             (#peak   405)
 &rst
  ifntyp= 1, ixpk= 405, nxpk= 0, iat=  -1,  54, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  44,  45,
 &end
#
#  22 TYR  HB2    23 ALA  HN       4.20             (#peak   413)
 &rst
  ifntyp= 1, ixpk= 413, nxpk= 0, iat= 333, 350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  15 ASP  HB3    16 PHE  HN       4.78             (#peak   420)
 &rst
  ifntyp= 1, ixpk= 420, nxpk= 0, iat= 237, 244, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  21 ABU  HN      21 ABU  HA      3.81             (#peak   421)
 &rst
  ifntyp= 1, ixpk= 421, nxpk= 0, iat= 316, 318, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   9 ARG  HA     10 ARG  HN       4.34             (#peak   424)
 &rst
  ifntyp= 1, ixpk= 424, nxpk= 0, iat= 135, 157, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   9 ARG  HA     13 ALA  HN       4.77             (#peak   425)
 &rst
  ifntyp= 1, ixpk= 425, nxpk= 0, iat= 135, 203, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   9 ARG  HN       9 ARG  HA      3.90             (#peak   427)
 &rst
  ifntyp= 1, ixpk= 427, nxpk= 0, iat= 133, 135, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  18 SER  HN      18 SER  HB3     4.20             (#peak   430)
 &rst
  ifntyp= 1, ixpk= 430, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  29 SER  QB     30 GLU  HN       3.82             (#peak   431)
 &rst
  ifntyp= 1, ixpk= 431, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 444, 445,
 &end
#
#  18 SER  HB3    19 ALA  HN       3.79             (#peak   432)
 &rst
  ifntyp= 1, ixpk= 432, nxpk= 0, iat= 293, 299, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  25 GLY  QA     30 GLU  HN       4.28             (#peak   433)
 &rst
  ifntyp= 1, ixpk= 433, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 386, 387,
 &end
#
#  24 ARG  HN      24 ARG  HA      4.18             (#peak   439)
 &rst
  ifntyp= 1, ixpk= 439, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  10 ARG  HN      10 ARG  HA      3.39             (#peak   440)
 &rst
  ifntyp= 1, ixpk= 440, nxpk= 0, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  19 ALA  HN      19 ALA  HA      3.90             (#peak   441)
 &rst
  ifntyp= 1, ixpk= 441, nxpk= 0, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   4 LEU  HA      8 NLE  HN       4.01             (#peak   442)
 &rst
  ifntyp= 1, ixpk= 442, nxpk= 0, iat=  56, 114, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  27 PRO  HA     30 GLU  HN       4.70             (#peak   444)
 &rst
  ifntyp= 1, ixpk= 444, nxpk= 0, iat= 417, 451, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   4 LEU  HA      6 ASP  HN       4.01             (#peak   445)
 &rst
  ifntyp= 1, ixpk= 445, nxpk= 0, iat=  56,  92, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  35 LEU  HN      35 LEU  HA      3.91             (#peak   446)
 &rst
  ifntyp= 1, ixpk= 446, nxpk= 0, iat= 521, 523, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   6 ASP  HN       7 ALA  HN       4.04             (#peak   450)
 &rst
  ifntyp= 1, ixpk= 450, nxpk= 0, iat=  92, 104, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  25 GLY  HN      26 VAL  HN       3.95             (#peak   451)
 &rst
  ifntyp= 1, ixpk= 451, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   2 ASP  HN       2 ASP  HB2     4.24             (#peak   452)
 &rst
  ifntyp= 1, ixpk= 452, nxpk= 0, iat=  28,  32, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   2 ASP  HN       2 ASP  HB3     4.20             (#peak   453)
 &rst
  ifntyp= 1, ixpk= 453, nxpk= 0, iat=  28,  33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   1 ARG  QG      2 ASP  HN       4.64             (#peak   454)
 &rst
  ifntyp= 1, ixpk= 454, nxpk= 0, iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=  11,  12,
 &end
#
#  26 VAL  HA     27 PRO  HD3     3.60             (#peak   455)
 &rst
  ifntyp= 1, ixpk= 455, nxpk= 0, iat= 393, 409, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  27 PRO  HA     27 PRO  HD3     4.87             (#peak   458)
 &rst
  ifntyp= 1, ixpk= 458, nxpk= 0, iat= 417, 409, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  27 PRO  HA     27 PRO  QB      3.79             (#peak   459)
 &rst
  ifntyp= 1, ixpk= 459, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 414, 415,
 &end
#
#  27 PRO  HA     27 PRO  HG2     4.24             (#peak   460)
 &rst
  ifntyp= 1, ixpk= 460, nxpk= 0, iat= 417, 411, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  27 PRO  HA     27 PRO  HG3     3.79             (#peak   461)
 &rst
  ifntyp= 1, ixpk= 461, nxpk= 0, iat= 417, 412, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  26 VAL  HA     27 PRO  HG3     4.33             (#peak   462)
 &rst
  ifntyp= 1, ixpk= 462, nxpk= 0, iat= 393, 412, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  27 PRO  HD2    27 PRO  QB      4.16             (#peak   463)
 &rst
  ifntyp= 1, ixpk= 463, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 414, 415,
 &end
#
#  27 PRO  HD2    27 PRO  HG2     3.75             (#peak   464)
 &rst
  ifntyp= 1, ixpk= 464, nxpk= 0, iat= 408, 411, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  27 PRO  HD2    27 PRO  HG3     3.63             (#peak   465)
 &rst
  ifntyp= 1, ixpk= 465, nxpk= 0, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  27 PRO  HG2    27 PRO  QB      3.77             (#peak   466)
 &rst
  ifntyp= 1, ixpk= 466, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 414, 415,
 &end
#
#  30 GLU  HA     31 PRO  HD2     3.76             (#peak   471)
 &rst
  ifntyp= 1, ixpk= 471, nxpk= 0, iat= 453, 467, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  30 GLU  HA     31 PRO  HD3     3.80             (#peak   472)
 &rst
  ifntyp= 1, ixpk= 472, nxpk= 0, iat= 453, 468, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  32 PRO  HA     32 PRO  HD3     4.63             (#peak   473)
 &rst
  ifntyp= 1, ixpk= 473, nxpk= 0, iat= 490, 482, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  32 PRO  HA     32 PRO  QB      3.88             (#peak   474)
 &rst
  ifntyp= 1, ixpk= 474, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 487, 488,
 &end
#
#  32 PRO  HA     32 PRO  HG2     3.83             (#peak   475)
 &rst
  ifntyp= 1, ixpk= 475, nxpk= 0, iat= 490, 484, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  32 PRO  HA     32 PRO  HG3     3.93             (#peak   476)
 &rst
  ifntyp= 1, ixpk= 476, nxpk= 0, iat= 490, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  32 PRO  HD2    32 PRO  QB      4.47             (#peak   477)
 &rst
  ifntyp= 1, ixpk= 477, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 487, 488,
 &end
#
#  32 PRO  HD2    32 PRO  HG2     3.73             (#peak   478)
 &rst
  ifntyp= 1, ixpk= 478, nxpk= 0, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  32 PRO  HD2    32 PRO  HG3     4.63             (#peak   479)
 &rst
  ifntyp= 1, ixpk= 479, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  32 PRO  HD3    32 PRO  QB      4.32             (#peak   480)
 &rst
  ifntyp= 1, ixpk= 480, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 487, 488,
 &end
#
#  27 PRO  HD3    27 PRO  HG2     3.44             (#peak   481)
 &rst
  ifntyp= 1, ixpk= 481, nxpk= 0, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  32 PRO  HD3    32 PRO  HG3     4.10             (#peak   482)
 &rst
  ifntyp= 1, ixpk= 482, nxpk= 0, iat= 482, 485, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  32 PRO  HG2    32 PRO  HG3     3.03             (#peak   483)
 &rst
  ifntyp= 1, ixpk= 483, nxpk= 0, iat= 484, 485, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  31 PRO  HD2    32 PRO  HG3     4.63             (#peak   490)
 &rst
  ifntyp= 1, ixpk= 490, nxpk= 0, iat= 467, 485, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  31 PRO  HA     32 PRO  HD2     3.80             (#peak   493)
 &rst
  ifntyp= 1, ixpk= 493, nxpk= 0, iat= 476, 481, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  31 PRO  HD2    31 PRO  HD3     3.11             (#peak   494)
 &rst
  ifntyp= 1, ixpk= 494, nxpk= 0, iat= 467, 468, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  31 PRO  HA     32 PRO  HD3     3.80             (#peak   495)
 &rst
  ifntyp= 1, ixpk= 495, nxpk= 0, iat= 476, 482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  31 PRO  HA     31 PRO  QB      4.12             (#peak   496)
 &rst
  ifntyp= 1, ixpk= 496, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 473, 474,
 &end
#
#  31 PRO  HA     31 PRO  HG2     4.70             (#peak   497)
 &rst
  ifntyp= 1, ixpk= 497, nxpk= 0, iat= 476, 470, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 PRO  HA     31 PRO  HG3     4.58             (#peak   498)
 &rst
  ifntyp= 1, ixpk= 498, nxpk= 0, iat= 476, 471, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  31 PRO  HD2    31 PRO  QB      4.68             (#peak   499)
 &rst
  ifntyp= 1, ixpk= 499, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 473, 474,
 &end
#
#  31 PRO  HD2    31 PRO  HG3     4.38             (#peak   500)
 &rst
  ifntyp= 1, ixpk= 500, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  31 PRO  HG2    31 PRO  HD2     4.09             (#peak   503)
 &rst
  ifntyp= 1, ixpk= 503, nxpk= 0, iat= 470, 467, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  33 GLN  HA     33 GLN  QG      4.25             (#peak   504)
 &rst
  ifntyp= 1, ixpk= 504, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 501, 502,
 &end
#
#  33 GLN  HA     33 GLN  HB2     4.06             (#peak   505)
 &rst
  ifntyp= 1, ixpk= 505, nxpk= 0, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  26 VAL  HA     26 VAL  QQG     3.47             (#peak   507)
 &rst
  ifntyp= 1, ixpk= 507, nxpk= 0, iat= 393, 394, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  17 TRP  HA     17 TRP  HB2     4.00             (#peak   508)
 &rst
  ifntyp= 1, ixpk= 508, nxpk= 0, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  32 PRO  QB     33 GLN  HN       4.86             (#peak   509)
 &rst
  ifntyp= 1, ixpk= 509, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 487, 488,
 &end
#
#  22 TYR  HN      22 TYR  QD      4.24             (#peak   510)
 &rst
  ifntyp= 1, ixpk= 510, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 337, 346,
 &end
#
#  17 TRP  HN      17 TRP  HE3     4.84             (#peak   520)
 &rst
  ifntyp= 1, ixpk= 520, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  22 TYR  HB3    22 TYR  QE      4.65             (#peak   522)
 &rst
  ifntyp= 1, ixpk= 522, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 339, 344,
 &end
#
#  22 TYR  HB2    22 TYR  QE      4.58             (#peak   523)
 &rst
  ifntyp= 1, ixpk= 523, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 339, 344,
 &end
#
#  22 TYR  HA     22 TYR  QE      4.42             (#peak   524)
 &rst
  ifntyp= 1, ixpk= 524, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 339, 344,
 &end
#
#   6 ASP  HA      9 ARG  HE      4.86             (#peak   525)
 &rst
  ifntyp= 1, ixpk= 525, nxpk= 0, iat=  94, 146, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  17 TRP  HZ2    18 SER  HA      4.85             (#peak   526)
 &rst
  ifntyp= 1, ixpk= 526, nxpk= 0, iat= 277, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  23 ALA  HN      24 ARG  HB3     4.57             (#peak   527)
 &rst
  ifntyp= 1, ixpk= 527, nxpk= 0, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  11 GLU  HG3    11 GLU  HG2     3.44             (#peak   529)
 &rst
  ifntyp= 1, ixpk= 529, nxpk= 0, iat= 189, 188, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   1 ARG  QB      2 ASP  HN       4.17             (#peak   530)
 &rst
  ifntyp= 1, ixpk= 530, nxpk= 0, iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=   8,   9,
 &end
#
#   1 ARG  HA      2 ASP  HN       4.76             (#peak   536)
 &rst
  ifntyp= 1, ixpk= 536, nxpk= 0, iat=   6,  28, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   3 PRO  HD2     3 PRO  HD3     3.85             (#peak   537)
 &rst
  ifntyp= 1, ixpk= 537, nxpk= 0, iat=  41,  42, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   1 ARG  HA      4 LEU  HN       4.68             (#peak   538)
 &rst
  ifntyp= 1, ixpk= 538, nxpk= 0, iat=   6,  54, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   8 NLE  QD      8 NLE  HN       4.05             (#peak   539)
 &rst
  ifntyp= 1, ixpk= 539, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 124, 125,
 &end
#
#  28 LEU  QD2    29 SER  HN       4.37             (#peak   543)
 &rst
  ifntyp= 1, ixpk= 543, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 434, 435, 436,
 &end
#
#  10 ARG  HG2    11 GLU  HA      4.64             (#peak   545)
 &rst
  ifntyp= 1, ixpk= 545, nxpk= 0, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  10 ARG  QB     11 GLU  HA      4.59             (#peak   546)
 &rst
  ifntyp= 1, ixpk= 546, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 161, 162,
 &end
#
#  22 TYR  HA     24 ARG  HB3     4.88             (#peak   547)
 &rst
  ifntyp= 1, ixpk= 547, nxpk= 0, iat= 331, 365, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   4 LEU  HA      5 LEU  HN       4.75             (#peak   548)
 &rst
  ifntyp= 1, ixpk= 548, nxpk= 0, iat=  56,  73, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  21 ABU  QG     21 ABU  HN       3.87             (#peak   553)
 &rst
  ifntyp= 1, ixpk= 553, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 324, 325,
 &end
#
#  31 PRO  QB     33 GLN  HN       4.98             (#peak   554)
 &rst
  ifntyp= 1, ixpk= 554, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 473, 474,
 &end
#
#  11 GLU  HN      11 GLU  HG3     4.49             (#peak   555)
 &rst
  ifntyp= 1, ixpk= 555, nxpk= 0, iat= 181, 189, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  32 PRO  HG3    34 ALA  HN       5.23             (#peak   570)
 &rst
  ifntyp= 1, ixpk= 570, nxpk= 0, iat= 485, 511, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  28 LEU  HA     29 SER  HN       4.06             (#peak   573)
 &rst
  ifntyp= 1, ixpk= 573, nxpk= 0, iat= 423, 440, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  18 SER  HA     19 ALA  HN       4.02             (#peak   574)
 &rst
  ifntyp= 1, ixpk= 574, nxpk= 0, iat= 290, 299, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  34 ALA  HA     35 LEU  HN       3.91             (#peak   576)
 &rst
  ifntyp= 1, ixpk= 576, nxpk= 0, iat= 513, 521, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  13 ALA  HN      13 ALA  HA      3.58             (#peak   577)
 &rst
  ifntyp= 1, ixpk= 577, nxpk= 0, iat= 203, 205, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   6 ASP  HA      7 ALA  HN       4.37             (#peak   578)
 &rst
  ifntyp= 1, ixpk= 578, nxpk= 0, iat=  94, 104, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   7 ALA  HN       7 ALA  HA      3.55             (#peak   579)
 &rst
  ifntyp= 1, ixpk= 579, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   4 LEU  HN       4 LEU  QD1     4.36             (#peak   582)
 &rst
  ifntyp= 1, ixpk= 582, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=  63,  64,  65,
 &end
#
#   4 LEU  HN       4 LEU  QD2     4.48             (#peak   583)
 &rst
  ifntyp= 1, ixpk= 583, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=  67,  68,  69,
 &end
#
#  26 VAL  HN      26 VAL  QQG     3.64             (#peak   584)
 &rst
  ifntyp= 1, ixpk= 584, nxpk= 0, iat= 391, 394, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#   5 LEU  HN       5 LEU  QD1     4.15             (#peak   585)
 &rst
  ifntyp= 1, ixpk= 585, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=  82,  83,  84,
 &end
#
#   5 LEU  HN       5 LEU  QD2     4.20             (#peak   586)
 &rst
  ifntyp= 1, ixpk= 586, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=  86,  87,  88,
 &end
#
#  21 ABU  QB     23 ALA  HN       4.03             (#peak   587)
 &rst
  ifntyp= 1, ixpk= 587, nxpk= 0, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 320, 321,
 &end
#
#  34 ALA  HN      34 ALA  QB      3.68             (#peak   589)
 &rst
  ifntyp= 1, ixpk= 589, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 515, 516, 517,
 &end
#
#  26 VAL  HA     28 LEU  QD2     3.46             (#peak   590)
 &rst
  ifntyp= 1, ixpk= 590, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 434, 435, 436,
 &end
#
#   1 ARG  QB      3 PRO  HA      3.64             (#peak   591)
 &rst
  ifntyp= 1, ixpk= 591, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=   8,   9,
 &end
#
#   3 PRO  QG      4 LEU  HA      3.40             (#peak   592)
 &rst
  ifntyp= 1, ixpk= 592, nxpk= 0, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  44,  45,
 &end
#
#  27 PRO  HD3    27 PRO  QB      4.50             (#peak   593)
 &rst
  ifntyp= 1, ixpk= 593, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 414, 415,
 &end
#
#  33 GLN  HB3    33 GLN  QG      3.92             (#peak   595)
 &rst
  ifntyp= 1, ixpk= 595, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 501, 502,
 &end
#
#   2 ASP  HN       3 PRO  HA      3.43             (#peak   596)
 &rst
  ifntyp= 1, ixpk= 596, nxpk= 0, iat=  28,  50, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  30 GLU  HN      35 LEU  HN       4.31             (#peak   597)
 &rst
  ifntyp= 1, ixpk= 597, nxpk= 0, iat= 451, 521, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  14 NLE  O      18 SER  HN       1.80
 &rst
  ifntyp= 1, ixpk= 597, nxpk= 0, iat= 230, 288, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#  10 ARG  O      14 NLE  HN       1.80
 &rst
  ifntyp= 1, ixpk= 597, nxpk= 0, iat= 179, 213, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   9 ARG  O      13 ALA  HN       1.80
 &rst
  ifntyp= 1, ixpk= 597, nxpk= 0, iat= 155, 203, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#  11 GLU  O      15 ASP  HN       1.80
 &rst
  ifntyp= 1, ixpk= 597, nxpk= 0, iat= 194, 232, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   8 NLE  O      12 GLY  HN       1.80 &rst
  ifntyp= 1, ixpk= 597, nxpk= 0, iat= 131, 196, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  CG NE HD2 HD3
 &rst iat=10,16,14,15, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,25,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=29,34,32,33, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=27,37,30,31, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=49,43,47,48, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=46,40,44,45, &end
#
#  chirality for residue 3 atoms:  CG N HD2 HD3
 &rst iat=43,39,41,42, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=39,51,50,46, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=55,60,58,59, &end
#
#  chirality for residue 4 atoms:  CB CD1 CD2 HG
 &rst iat=57,62,66,61, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=53,70,56,57, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=74,79,77,78, &end
#
#  chirality for residue 5 atoms:  CB CD1 CD2 HG
 &rst iat=76,81,85,80, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=72,89,75,76, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=93,98,96,97, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=91,101,94,95, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=103,111,106,107, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=134,139,137,138, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=136,142,140,141, &end
#
#  chirality for residue 9 atoms:  CG NE HD2 HD3
 &rst iat=139,145,143,144, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=132,154,135,136, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=160,166,164,165, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=163,169,167,168, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=156,178,159,160, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=182,187,185,186, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=184,190,188,189, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=180,193,183,184, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=202,210,205,206, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=233,238,236,237, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=231,241,234,235, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=245,250,248,249, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=243,261,246,247, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=265,270,268,269, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=263,285,266,267, &end
#
#  chirality for residue 18 atoms:  CA OG HB2 HB3
 &rst iat=289,294,292,293, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=287,296,290,291, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=298,306,301,302, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=330,335,333,334, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=328,347,331,332, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=349,357,352,353, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=361,366,364,365, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=363,369,367,368, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=366,372,370,371, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=359,381,362,363, &end
#
#  chirality for residue 25 atoms:  N C HA2 HA3
 &rst iat=383,388,386,387, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=392,396,400,395, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=390,404,393,394, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=416,410,414,415, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=413,407,411,412, &end
#
#  chirality for residue 27 atoms:  CG N HD2 HD3
 &rst iat=410,406,408,409, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=406,418,417,413, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=422,427,425,426, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=424,429,433,428, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=420,437,423,424, &end
#
#  chirality for residue 29 atoms:  CA OG HB2 HB3
 &rst iat=441,446,444,445, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=439,448,442,443, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=452,457,455,456, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=454,460,458,459, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=450,463,453,454, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=475,469,473,474, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=472,466,470,471, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=469,465,467,468, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=465,477,476,472, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=489,483,487,488, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=486,480,484,485, &end
#
#  chirality for residue 32 atoms:  CG N HD2 HD3
 &rst iat=483,479,481,482, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=479,491,490,486, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=493,508,496,497, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=510,518,513,514, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=522,527,525,526, &end
#
#  chirality for residue 35 atoms:  CB CD1 CD2 HG
 &rst iat=524,529,533,528, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=520,537,523,524, &end
#
#  trans-omega constraint for residue 2
 &rst iat=29,27,25,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=49,39,37,29, &end
#
#  trans-omega constraint for residue 4
 &rst iat=55,53,51,49, &end
#
#  trans-omega constraint for residue 5
 &rst iat=74,72,70,55, &end
#
#  trans-omega constraint for residue 6
 &rst iat=93,91,89,74, &end
#
#  trans-omega constraint for residue 7
 &rst iat=105,103,101,93, &end
#
#  trans-omega constraint for residue 8
 &rst iat=115,113,111,105, &end
#
#  trans-omega constraint for residue 9
 &rst iat=134,132,130,115, &end
#
#  trans-omega constraint for residue 10
 &rst iat=158,156,154,134, &end
#
#  trans-omega constraint for residue 11
 &rst iat=182,180,178,158, &end
#
#  trans-omega constraint for residue 12
 &rst iat=197,195,193,182, &end
#
#  trans-omega constraint for residue 13
 &rst iat=204,202,200,197, &end
#
#  trans-omega constraint for residue 14
 &rst iat=214,212,210,204, &end
#
#  trans-omega constraint for residue 15
 &rst iat=233,231,229,214, &end
#
#  trans-omega constraint for residue 16
 &rst iat=245,243,241,233, &end
#
#  trans-omega constraint for residue 17
 &rst iat=265,263,261,245, &end
#
#  trans-omega constraint for residue 18
 &rst iat=289,287,285,265, &end
#
#  trans-omega constraint for residue 19
 &rst iat=300,298,296,289, &end
#
#  trans-omega constraint for residue 20
 &rst iat=310,308,306,300, &end
#
#  trans-omega constraint for residue 21
 &rst iat=317,315,313,310, &end
#
#  trans-omega constraint for residue 22
 &rst iat=330,328,326,317, &end
#
#  trans-omega constraint for residue 23
 &rst iat=351,349,347,330, &end
#
#  trans-omega constraint for residue 24
 &rst iat=361,359,357,351, &end
#
#  trans-omega constraint for residue 25
 &rst iat=385,383,381,361, &end
#
#  trans-omega constraint for residue 26
 &rst iat=392,390,388,385, &end
#
#  trans-omega constraint for residue 27
 &rst iat=416,406,404,392, &end
#
#  trans-omega constraint for residue 28
 &rst iat=422,420,418,416, &end
#
#  trans-omega constraint for residue 29
 &rst iat=441,439,437,422, &end
#
#  trans-omega constraint for residue 30
 &rst iat=452,450,448,441, &end
#
#  trans-omega constraint for residue 31
 &rst iat=475,465,463,452, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,479,477,475, &end
#
#  trans-omega constraint for residue 33
 &rst iat=495,493,491,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=512,510,508,495, &end
#
#  trans-omega constraint for residue 35
 &rst iat=522,520,518,512, &end
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H1       ARG   1   7.068  10.366  -3.456
    2    H2   ARG   1           H2       ARG   1   7.788  10.504  -4.927
    3    H3   ARG   1           H3       ARG   1   7.217  11.833  -4.162
    4    HA   ARG   1           HA       ARG   1   8.837  11.624  -2.418
    5    HB2  ARG   1           HB2      ARG   1   9.819   9.217  -3.927
    6    HB3  ARG   1           HB3      ARG   1  10.777   9.951  -2.954
    7    HG2  ARG   1           HG2      ARG   1   8.289   8.595  -1.949
    8    HG3  ARG   1           HG3      ARG   1   9.734   8.043  -1.844
    9    HD2  ARG   1           HD2      ARG   1  10.275  10.333  -0.512
   10    HD3  ARG   1           HD3      ARG   1   8.764  10.569  -0.459
   11    HE   ARG   1           HE       ARG   1   8.951   7.918   0.462
   12   HH11  ARG   1          HH11      ARG   1  10.051  11.069   1.561
   13   HH12  ARG   1          HH12      ARG   1  10.308  10.494   3.186
   14   HH21  ARG   1          HH21      ARG   1   9.511   7.233   2.440
   15   HH22  ARG   1          HH22      ARG   1   9.943   8.380   3.702
   16    H    ASP   2           H        ASP   2  11.006  12.474  -2.572
   17    HA   ASP   2           HA       ASP   2  11.824  13.450  -5.276
   18    HB2  ASP   2           HB2      ASP   2  10.664  15.240  -3.868
   19    HB3  ASP   2           HB3      ASP   2  11.651  15.075  -2.739
   20    HA   PRO   3           HA       PRO   3  15.908  12.922  -2.940
   21    HB2  PRO   3           HB2      PRO   3  16.193  12.159  -0.413
   22    HB3  PRO   3           HB3      PRO   3  15.815  13.592  -0.741
   23    HG2  PRO   3           HG2      PRO   3  13.722  11.692   0.223
   24    HG3  PRO   3           HG3      PRO   3  13.949  13.071   0.651
   25    HD2  PRO   3           HD2      PRO   3  12.150  12.973  -1.366
   26    HD3  PRO   3           HD3      PRO   3  13.074  14.186  -1.229
   27    H    LEU   4           H        LEU   4  13.443  10.488  -2.322
   28    HA   LEU   4           HA       LEU   4  13.327   8.233  -2.565
   29    HB2  LEU   4           HB2      LEU   4  13.542   9.594  -4.984
   30    HB3  LEU   4           HB3      LEU   4  14.594   8.564  -5.269
   31    HG   LEU   4           HG       LEU   4  11.789   7.771  -4.347
   32   HD11  LEU   4          HD11      LEU   4  11.392   7.173  -6.698
   33   HD12  LEU   4          HD12      LEU   4  13.019   7.749  -7.132
   34   HD13  LEU   4          HD13      LEU   4  11.790   8.891  -6.542
   35   HD21  LEU   4          HD21      LEU   4  12.306   5.519  -5.200
   36   HD22  LEU   4          HD22      LEU   4  13.392   5.962  -3.877
   37   HD23  LEU   4          HD23      LEU   4  13.974   6.029  -5.554
   38    H    LEU   5           H        LEU   5  15.475   8.515  -0.946
   39    HA   LEU   5           HA       LEU   5  17.900   7.331  -1.898
   40    HB2  LEU   5           HB2      LEU   5  17.046   7.463   0.976
   41    HB3  LEU   5           HB3      LEU   5  18.495   7.186   0.516
   42    HG   LEU   5           HG       LEU   5  17.073   9.807  -0.103
   43   HD11  LEU   5          HD11      LEU   5  17.563   9.482   2.290
   44   HD12  LEU   5          HD12      LEU   5  18.573  10.756   1.587
   45   HD13  LEU   5          HD13      LEU   5  19.267   9.148   1.903
   46   HD21  LEU   5          HD21      LEU   5  18.786   9.380  -1.804
   47   HD22  LEU   5          HD22      LEU   5  19.979   8.985  -0.543
   48   HD23  LEU   5          HD23      LEU   5  19.340  10.638  -0.699
   49    H    ASP   6           H        ASP   6  15.130   5.842  -0.240
   50    HA   ASP   6           HA       ASP   6  16.052   3.149  -1.103
   51    HB2  ASP   6           HB2      ASP   6  16.768   3.836   1.381
   52    HB3  ASP   6           HB3      ASP   6  15.314   3.750   1.786
   53    H    ALA   7           H        ALA   7  13.548   5.250  -1.143
   54    HA   ALA   7           HA       ALA   7  11.296   3.897  -0.160
   55    HB1  ALA   7           HB1      ALA   7  10.025   5.410  -1.604
   56    HB2  ALA   7           HB2      ALA   7  11.347   6.264  -0.790
   57    HB3  ALA   7           HB3      ALA   7  11.491   5.821  -2.510
   58    H    NLE   8           H        NLE   8  12.930   3.460  -3.281
   59    HA   NLE   8           HA       NLE   8  10.965   2.050  -4.658
   60    HB2  NLE   8           HB2      NLE   8  12.566   1.425  -6.202
   61    HB3  NLE   8           HB3      NLE   8  13.112   2.969  -5.594
   62    HG2  NLE   8           HG2      NLE   8  14.223   0.214  -4.863
   63    HG3  NLE   8           HG3      NLE   8  14.941   1.352  -5.983
   64    HD2  NLE   8           HD2      NLE   8  14.675   1.788  -2.980
   65    HD3  NLE   8           HD3      NLE   8  16.123   1.288  -3.844
   66    HE1  NLE   8           HE1      NLE   8  16.070   3.441  -5.140
   67    HE2  NLE   8           HE2      NLE   8  14.713   3.968  -4.117
   68    HE3  NLE   8           HE3      NLE   8  16.298   3.654  -3.395
   69    H    ARG   9           H        ARG   9  12.828   0.856  -1.990
   70    HA   ARG   9           HA       ARG   9  11.910  -1.968  -2.452
   71    HB2  ARG   9           HB2      ARG   9  13.659  -1.084  -0.183
   72    HB3  ARG   9           HB3      ARG   9  13.314  -2.548  -0.545
   73    HG2  ARG   9           HG2      ARG   9  14.518  -2.026  -2.880
   74    HG3  ARG   9           HG3      ARG   9  15.001  -0.711  -2.294
   75    HD2  ARG   9           HD2      ARG   9  15.872  -3.355  -1.125
   76    HD3  ARG   9           HD3      ARG   9  16.752  -2.358  -1.898
   77    HE   ARG   9           HE       ARG   9  16.264  -0.632  -0.015
   78   HH11  ARG   9          HH11      ARG   9  16.578  -4.073   0.619
   79   HH12  ARG   9          HH12      ARG   9  16.842  -3.805   2.321
   80   HH21  ARG   9          HH21      ARG   9  16.422  -0.383   2.115
   81   HH22  ARG   9          HH22      ARG   9  16.820  -1.746   3.144
   82    H    ARG  10           H        ARG  10  12.018   0.307   0.275
   83    HA   ARG  10           HA       ARG  10  10.158  -1.224   1.823
   84    HB2  ARG  10           HB2      ARG  10  10.732   0.364   3.525
   85    HB3  ARG  10           HB3      ARG  10  12.020   0.070   2.737
   86    HG2  ARG  10           HG2      ARG  10  11.133   2.336   1.361
   87    HG3  ARG  10           HG3      ARG  10  10.402   2.620   2.650
   88    HD2  ARG  10           HD2      ARG  10  13.411   2.305   2.596
   89    HD3  ARG  10           HD3      ARG  10  12.655   3.644   2.693
   90    HE   ARG  10           HE       ARG  10  11.625   2.787   4.892
   91   HH11  ARG  10          HH11      ARG  10  14.837   1.652   3.854
   92   HH12  ARG  10          HH12      ARG  10  15.336   1.457   5.512
   93   HH21  ARG  10          HH21      ARG  10  12.380   2.443   6.922
   94   HH22  ARG  10          HH22      ARG  10  14.002   1.862   7.173
   95    H    GLU  11           H        GLU  11   9.578   1.633  -0.155
   96    HA   GLU  11           HA       GLU  11   6.701   1.680   0.681
   97    HB2  GLU  11           HB2      GLU  11   8.202   3.711  -0.947
   98    HB3  GLU  11           HB3      GLU  11   6.690   3.781  -0.754
   99    HG2  GLU  11           HG2      GLU  11   6.846   4.068   1.683
  100    HG3  GLU  11           HG3      GLU  11   8.239   3.467   1.821
  101    H    GLY  12           H        GLY  12   8.831   1.018  -2.093
  102    HA2  GLY  12           HA2      GLY  12   6.908   0.478  -4.095
  103    HA3  GLY  12           HA3      GLY  12   8.466  -0.342  -3.918
  104    H    ALA  13           H        ALA  13   8.110  -1.751  -1.508
  105    HA   ALA  13           HA       ALA  13   6.379  -3.938  -2.202
  106    HB1  ALA  13           HB1      ALA  13   8.423  -4.200  -0.871
  107    HB2  ALA  13           HB2      ALA  13   7.723  -3.216   0.436
  108    HB3  ALA  13           HB3      ALA  13   7.009  -4.790   0.021
  109    H    NLE  14           H        NLE  14   6.007  -1.282   0.177
  110    HA   NLE  14           HA       NLE  14   3.560  -2.130   1.304
  111    HB2  NLE  14           HB2      NLE  14   5.174  -0.405   2.160
  112    HB3  NLE  14           HB3      NLE  14   4.501   0.743   0.991
  113    HG2  NLE  14           HG2      NLE  14   2.256   0.461   2.032
  114    HG3  NLE  14           HG3      NLE  14   2.932  -0.692   3.188
  115    HD2  NLE  14           HD2      NLE  14   3.729   2.247   2.933
  116    HD3  NLE  14           HD3      NLE  14   2.614   1.581   4.130
  117    HE1  NLE  14           HE1      NLE  14   4.766   1.901   5.182
  118    HE2  NLE  14           HE2      NLE  14   4.479   0.155   5.031
  119    HE3  NLE  14           HE3      NLE  14   5.597   0.984   3.918
  120    H    ASP  15           H        ASP  15   4.173  -0.201  -1.619
  121    HA   ASP  15           HA       ASP  15   1.522   0.555  -2.251
  122    HB2  ASP  15           HB2      ASP  15   3.784   1.245  -3.370
  123    HB3  ASP  15           HB3      ASP  15   3.823  -0.066  -4.133
  124    H    PHE  16           H        PHE  16   2.906  -2.664  -2.451
  125    HA   PHE  16           HA       PHE  16   0.421  -3.549  -3.858
  126    HB2  PHE  16           HB2      PHE  16   1.582  -5.310  -4.862
  127    HB3  PHE  16           HB3      PHE  16   2.297  -3.981  -5.250
  128    HD1  PHE  16           HD1      PHE  16   2.627  -6.712  -2.646
  129    HD2  PHE  16           HD2      PHE  16   4.635  -3.918  -5.252
  130    HE1  PHE  16           HE1      PHE  16   4.807  -7.750  -2.085
  131    HE2  PHE  16           HE2      PHE  16   6.805  -4.997  -4.729
  132    HZ   PHE  16           HZ       PHE  16   6.899  -6.909  -3.138
  133    H    TRP  17           H        TRP  17   2.036  -3.719  -0.814
  134    HA   TRP  17           HA       TRP  17   0.331  -5.866   0.234
  135    HB2  TRP  17           HB2      TRP  17   2.286  -4.943   1.535
  136    HB3  TRP  17           HB3      TRP  17   1.740  -3.501   1.516
  137    HD1  TRP  17           HD1      TRP  17   0.459  -2.692   3.540
  138    HE1  TRP  17           HE1      TRP  17  -0.798  -3.743   5.517
  139    HE3  TRP  17           HE3      TRP  17   0.682  -7.617   2.124
  140    HZ2  TRP  17           HZ2      TRP  17  -1.593  -6.375   6.384
  141    HZ3  TRP  17           HZ3      TRP  17  -0.321  -9.377   3.563
  142    HH2  TRP  17           HH2      TRP  17  -1.429  -8.773   5.703
  143    H    SER  18           H        SER  18   0.087  -2.272   0.253
  144    HA   SER  18           HA       SER  18  -2.540  -2.154   1.336
  145    HB2  SER  18           HB2      SER  18  -2.342   0.256   0.746
  146    HB3  SER  18           HB3      SER  18  -1.058  -0.255   1.431
  147    HG   SER  18           HG       SER  18   0.051  -0.299  -0.455
  148    H    ALA  19           H        ALA  19  -1.602  -2.861  -1.939
  149    HA   ALA  19           HA       ALA  19  -4.026  -2.227  -3.297
  150    HB1  ALA  19           HB1      ALA  19  -1.876  -2.740  -4.404
  151    HB2  ALA  19           HB2      ALA  19  -1.993  -4.433  -3.848
  152    HB3  ALA  19           HB3      ALA  19  -3.177  -3.783  -4.997
  153    H    GLY  20           H        GLY  20  -3.439  -4.713  -0.953
  154    HA2  GLY  20           HA2      GLY  20  -6.166  -5.850  -1.447
  155    HA3  GLY  20           HA3      GLY  20  -4.774  -6.914  -1.228
  156    H    ABA  21           H        ABU  21  -3.655  -5.037   0.857
  157    HA   ABA  21           HA       ABU  21  -3.454  -5.019   3.082
  158    HB3  ABA  21           HB3      ABU  21  -6.270  -3.910   2.923
  159    HB2  ABA  21           HB2      ABU  21  -4.810  -3.041   2.430
  160    HG1  ABA  21           HG1      ABU  21  -5.454  -2.381   4.688
  161    HG3  ABA  21           HG3      ABU  21  -3.899  -3.235   4.728
  162    HG2  ABA  21           HG2      ABU  21  -5.390  -4.064   5.242
  163    H    TYR  22           H        TYR  22  -3.173  -7.091   3.769
  164    HA   TYR  22           HA       TYR  22  -3.523  -9.107   4.692
  165    HB2  TYR  22           HB2      TYR  22  -6.273  -8.460   5.606
  166    HB3  TYR  22           HB3      TYR  22  -5.369  -9.629   6.133
  167    HD1  TYR  22           HD1      TYR  22  -3.247  -9.230   7.460
  168    HD2  TYR  22           HD2      TYR  22  -6.130  -6.132   6.567
  169    HE1  TYR  22           HE1      TYR  22  -2.382  -7.858   9.362
  170    HE2  TYR  22           HE2      TYR  22  -5.267  -4.775   8.474
  171    HH   TYR  22           HH       TYR  22  -3.775  -4.679  10.210
  172    H    ALA  23           H        ALA  23  -4.295  -8.487   1.882
  173    HA   ALA  23           HA       ALA  23  -5.408  -9.287   0.073
  174    HB1  ALA  23           HB1      ALA  23  -5.208 -11.692  -0.280
  175    HB2  ALA  23           HB2      ALA  23  -3.747 -11.052   0.494
  176    HB3  ALA  23           HB3      ALA  23  -4.939 -11.952   1.455
  177    H    ARG  24           H        ARG  24  -7.112  -8.194   1.813
  178    HA   ARG  24           HA       ARG  24  -9.556  -9.902   2.070
  179    HB2  ARG  24           HB2      ARG  24  -8.398  -9.142   4.115
  180    HB3  ARG  24           HB3      ARG  24  -8.372  -7.617   3.675
  181    HG2  ARG  24           HG2      ARG  24 -10.102  -7.816   5.324
  182    HG3  ARG  24           HG3      ARG  24 -10.673  -7.252   4.027
  183    HD2  ARG  24           HD2      ARG  24 -11.489  -9.758   3.510
  184    HD3  ARG  24           HD3      ARG  24 -10.961 -10.158   4.893
  185    HE   ARG  24           HE       ARG  24 -12.781  -9.175   5.942
  186   HH11  ARG  24          HH11      ARG  24 -12.516  -7.662   2.774
  187   HH12  ARG  24          HH12      ARG  24 -14.038  -6.816   2.960
  188   HH21  ARG  24          HH21      ARG  24 -14.696  -7.997   6.104
  189   HH22  ARG  24          HH22      ARG  24 -15.181  -6.979   4.772
  190    H    GLY  25           H        GLY  25  -8.465  -7.793  -0.082
  191    HA2  GLY  25           HA2      GLY  25  -9.604  -6.668  -1.770
  192    HA3  GLY  25           HA3      GLY  25 -11.127  -6.879  -0.901
  193    H    VAL  26           H        VAL  26  -8.374  -5.473   0.740
  194    HA   VAL  26           HA       VAL  26  -8.270  -3.591   1.997
  195    HB   VAL  26           HB       VAL  26  -6.910  -3.140   0.187
  196   HG11  VAL  26          HG11      VAL  26  -9.204  -1.807  -1.283
  197   HG12  VAL  26          HG12      VAL  26  -7.491  -1.735  -1.735
  198   HG13  VAL  26          HG13      VAL  26  -8.340  -3.282  -1.758
  199   HG21  VAL  26          HG21      VAL  26  -8.359  -0.564   0.849
  200   HG22  VAL  26          HG22      VAL  26  -7.215  -1.397   1.930
  201   HG23  VAL  26          HG23      VAL  26  -6.669  -0.769   0.368
  202    HA   PRO  27           HA       PRO  27 -12.739  -3.542   2.615
  203    HB2  PRO  27           HB2      PRO  27 -12.109  -2.370   5.275
  204    HB3  PRO  27           HB3      PRO  27 -13.136  -3.352   4.942
  205    HG2  PRO  27           HG2      PRO  27 -10.939  -4.672   5.602
  206    HG3  PRO  27           HG3      PRO  27 -11.729  -5.207   4.426
  207    HD2  PRO  27           HD2      PRO  27  -9.181  -3.767   3.941
  208    HD3  PRO  27           HD3      PRO  27  -9.775  -4.930   3.206
  209    H    LEU  28           H        LEU  28 -11.011  -0.474   3.417
  210    HA   LEU  28           HA       LEU  28 -13.310   1.176   3.208
  211    HB2  LEU  28           HB2      LEU  28 -11.776   2.981   3.346
  212    HB3  LEU  28           HB3      LEU  28 -11.485   1.916   4.482
  213    HG   LEU  28           HG       LEU  28  -9.478   2.966   3.594
  214   HD11  LEU  28          HD11      LEU  28  -9.312  -0.006   3.007
  215   HD12  LEU  28          HD12      LEU  28  -9.356   0.703   4.650
  216   HD13  LEU  28          HD13      LEU  28  -8.036   1.089   3.536
  217   HD21  LEU  28          HD21      LEU  28 -10.124   3.112   1.197
  218   HD22  LEU  28          HD22      LEU  28  -9.820   1.364   1.047
  219   HD23  LEU  28          HD23      LEU  28  -8.497   2.457   1.475
  220    H    SER  29           H        SER  29 -11.754  -0.352   0.641
  221    HA   SER  29           HA       SER  29 -13.250   1.325  -1.327
  222    HB2  SER  29           HB2      SER  29 -10.521   0.150  -1.912
  223    HB3  SER  29           HB3      SER  29 -11.449   0.793  -2.976
  224    HG   SER  29           HG       SER  29  -9.962   2.290  -2.096
  225    H    GLU  30           H        GLU  30 -13.466  -1.524   0.165
  226    HA   GLU  30           HA       GLU  30 -13.788  -3.413  -2.026
  227    HB2  GLU  30           HB2      GLU  30 -13.579  -3.708   0.672
  228    HB3  GLU  30           HB3      GLU  30 -15.109  -3.532   0.675
  229    HG2  GLU  30           HG2      GLU  30 -15.025  -5.521  -1.167
  230    HG3  GLU  30           HG3      GLU  30 -13.585  -5.746  -0.721
  231    HA   PRO  31           HA       PRO  31 -17.741  -1.928  -3.530
  232    HB2  PRO  31           HB2      PRO  31 -18.678  -4.684  -4.060
  233    HB3  PRO  31           HB3      PRO  31 -18.745  -3.509  -4.934
  234    HG2  PRO  31           HG2      PRO  31 -16.544  -4.861  -5.523
  235    HG3  PRO  31           HG3      PRO  31 -16.439  -3.352  -5.522
  236    HD2  PRO  31           HD2      PRO  31 -15.292  -4.896  -3.246
  237    HD3  PRO  31           HD3      PRO  31 -14.758  -3.682  -3.948
  238    HA   PRO  32           HA       PRO  32 -20.821  -3.816  -0.262
  239    HB2  PRO  32           HB2      PRO  32 -19.203  -4.890   1.943
  240    HB3  PRO  32           HB3      PRO  32 -20.465  -5.399   1.416
  241    HG2  PRO  32           HG2      PRO  32 -18.494  -6.820   0.357
  242    HG3  PRO  32           HG3      PRO  32 -19.618  -6.451  -0.570
  243    HD2  PRO  32           HD2      PRO  32 -17.073  -4.842  -0.657
  244    HD3  PRO  32           HD3      PRO  32 -17.807  -5.466  -1.775
  245    H    GLN  33           H        GLN  33 -17.872  -2.034   0.360
  246    HA   GLN  33           HA       GLN  33 -19.276  -0.201   2.266
  247    HB2  GLN  33           HB2      GLN  33 -16.331  -0.479   1.779
  248    HB3  GLN  33           HB3      GLN  33 -16.932   0.706   2.612
  249    HG2  GLN  33           HG2      GLN  33 -16.552  -0.747   4.382
  250    HG3  GLN  33           HG3      GLN  33 -18.061  -0.877   4.229
  251   HE21  GLN  33          HE21      GLN  33 -15.185  -2.482   2.755
  252   HE22  GLN  33          HE22      GLN  33 -15.820  -4.121   2.863
  253    H    ALA  34           H        ALA  34 -18.998  -0.504  -0.955
  254    HA   ALA  34           HA       ALA  34 -18.968   0.850  -2.765
  255    HB1  ALA  34           HB1      ALA  34 -20.796   2.389  -0.891
  256    HB2  ALA  34           HB2      ALA  34 -20.848   2.401  -2.669
  257    HB3  ALA  34           HB3      ALA  34 -21.214   0.909  -1.786
  258    H    LEU  35           H        LEU  35 -16.567   1.372  -1.712
  259    HA   LEU  35           HA       LEU  35 -14.796   2.778  -1.715
  260    HB2  LEU  35           HB2      LEU  35 -16.300   4.623  -3.520
  261    HB3  LEU  35           HB3      LEU  35 -14.764   4.628  -3.349
  262    HG   LEU  35           HG       LEU  35 -16.190   2.161  -4.448
  263   HD11  LEU  35          HD11      LEU  35 -15.397   2.930  -6.641
  264   HD12  LEU  35          HD12      LEU  35 -14.750   4.415  -5.906
  265   HD13  LEU  35          HD13      LEU  35 -16.506   4.101  -5.908
  266   HD21  LEU  35          HD21      LEU  35 -13.981   1.659  -3.512
  267   HD22  LEU  35          HD22      LEU  35 -13.251   2.988  -4.449
  268   HD23  LEU  35          HD23      LEU  35 -13.938   1.568  -5.273
  269    HN1  NH2  36           H1       NHE  36 -17.070   3.367   0.356
  270    HN2  NH2  36           H2       NHE  36 -16.541   4.911   0.998
  Start of MODEL    2
    1    H1   ARG   1           H1       ARG   1   7.010  12.193  -3.714
    2    H2   ARG   1           H2       ARG   1   6.843  10.671  -3.136
    3    H3   ARG   1           H3       ARG   1   7.527  10.926  -4.603
    4    HA   ARG   1           HA       ARG   1   8.669  11.819  -2.035
    5    HB2  ARG   1           HB2      ARG   1   9.473   9.462  -3.728
    6    HB3  ARG   1           HB3      ARG   1  10.553  10.116  -2.841
    7    HG2  ARG   1           HG2      ARG   1   8.122   8.845  -1.618
    8    HG3  ARG   1           HG3      ARG   1   9.537   8.229  -1.671
    9    HD2  ARG   1           HD2      ARG   1  10.338  10.438  -0.357
   10    HD3  ARG   1           HD3      ARG   1   8.858  10.778  -0.158
   11    HE   ARG   1           HE       ARG   1   8.985   8.093   0.705
   12   HH11  ARG   1          HH11      ARG   1  10.220  11.214   1.755
   13   HH12  ARG   1          HH12      ARG   1  10.550  10.628   3.361
   14   HH21  ARG   1          HH21      ARG   1   9.629   7.389   2.656
   15   HH22  ARG   1          HH22      ARG   1  10.164   8.521   3.889
   16    H    ASP   2           H        ASP   2  10.901  12.543  -2.192
   17    HA   ASP   2           HA       ASP   2  11.680  13.724  -4.816
   18    HB2  ASP   2           HB2      ASP   2  10.538  15.440  -3.302
   19    HB3  ASP   2           HB3      ASP   2  11.508  15.205  -2.173
   20    HA   PRO   3           HA       PRO   3  15.762  13.060  -2.480
   21    HB2  PRO   3           HB2      PRO   3  16.012  12.077  -0.015
   22    HB3  PRO   3           HB3      PRO   3  15.686  13.542  -0.239
   23    HG2  PRO   3           HG2      PRO   3  13.528  11.658   0.582
   24    HG3  PRO   3           HG3      PRO   3  13.789  13.000   1.094
   25    HD2  PRO   3           HD2      PRO   3  12.006  13.088  -0.927
   26    HD3  PRO   3           HD3      PRO   3  12.979  14.255  -0.724
   27    H    LEU   4           H        LEU   4  13.324  10.556  -1.957
   28    HA   LEU   4           HA       LEU   4  13.218   8.328  -2.349
   29    HB2  LEU   4           HB2      LEU   4  13.382   9.827  -4.699
   30    HB3  LEU   4           HB3      LEU   4  14.416   8.802  -5.059
   31    HG   LEU   4           HG       LEU   4  11.631   7.979  -4.103
   32   HD11  LEU   4          HD11      LEU   4  11.154   7.526  -6.472
   33   HD12  LEU   4          HD12      LEU   4  12.769   8.122  -6.923
   34   HD13  LEU   4          HD13      LEU   4  11.567   9.230  -6.223
   35   HD21  LEU   4          HD21      LEU   4  12.106   5.779  -5.110
   36   HD22  LEU   4          HD22      LEU   4  13.238   6.134  -3.798
   37   HD23  LEU   4          HD23      LEU   4  13.765   6.302  -5.484
   38    H    LEU   5           H        LEU   5  15.502   8.644  -0.814
   39    HA   LEU   5           HA       LEU   5  17.815   7.361  -1.955
   40    HB2  LEU   5           HB2      LEU   5  17.226   7.726   0.969
   41    HB3  LEU   5           HB3      LEU   5  18.609   7.305   0.419
   42    HG   LEU   5           HG       LEU   5  17.343   9.974  -0.331
   43   HD11  LEU   5          HD11      LEU   5  17.945   9.823   2.051
   44   HD12  LEU   5          HD12      LEU   5  19.009  10.941   1.185
   45   HD13  LEU   5          HD13      LEU   5  19.591   9.316   1.611
   46   HD21  LEU   5          HD21      LEU   5  18.915   9.274  -2.075
   47   HD22  LEU   5          HD22      LEU   5  20.144   8.882  -0.848
   48   HD23  LEU   5          HD23      LEU   5  19.632  10.565  -1.112
   49    H    ASP   6           H        ASP   6  15.095   6.035  -0.117
   50    HA   ASP   6           HA       ASP   6  15.957   3.294  -0.878
   51    HB2  ASP   6           HB2      ASP   6  16.689   4.050   1.584
   52    HB3  ASP   6           HB3      ASP   6  15.231   3.999   1.988
   53    H    ALA   7           H        ALA   7  13.486   5.444  -0.968
   54    HA   ALA   7           HA       ALA   7  11.211   4.132   0.033
   55    HB1  ALA   7           HB1      ALA   7   9.957   5.636  -1.428
   56    HB2  ALA   7           HB2      ALA   7  11.287   6.492  -0.628
   57    HB3  ALA   7           HB3      ALA   7  11.424   6.020  -2.340
   58    H    NLE   8           H        NLE   8  12.856   3.624  -3.077
   59    HA   NLE   8           HA       NLE   8  10.888   2.171  -4.417
   60    HB2  NLE   8           HB2      NLE   8  12.496   1.483  -5.932
   61    HB3  NLE   8           HB3      NLE   8  13.021   3.059  -5.393
   62    HG2  NLE   8           HG2      NLE   8  14.166   0.356  -4.536
   63    HG3  NLE   8           HG3      NLE   8  14.871   1.450  -5.706
   64    HD2  NLE   8           HD2      NLE   8  14.594   2.009  -2.725
   65    HD3  NLE   8           HD3      NLE   8  16.054   1.508  -3.568
   66    HE1  NLE   8           HE1      NLE   8  15.967   3.602  -4.945
   67    HE2  NLE   8           HE2      NLE   8  14.580   4.144  -3.970
   68    HE3  NLE   8           HE3      NLE   8  16.160   3.900  -3.209
   69    H    ARG   9           H        ARG   9  12.708   1.073  -1.685
   70    HA   ARG   9           HA       ARG   9  11.741  -1.753  -2.052
   71    HB2  ARG   9           HB2      ARG   9  13.541  -0.846   0.163
   72    HB3  ARG   9           HB3      ARG   9  13.154  -2.310  -0.155
   73    HG2  ARG   9           HG2      ARG   9  14.351  -1.888  -2.515
   74    HG3  ARG   9           HG3      ARG   9  14.866  -0.565  -1.974
   75    HD2  ARG   9           HD2      ARG   9  15.691  -3.191  -0.733
   76    HD3  ARG   9           HD3      ARG   9  16.588  -2.236  -1.541
   77    HE   ARG   9           HE       ARG   9  16.139  -0.445   0.298
   78   HH11  ARG   9          HH11      ARG   9  16.420  -3.871   1.024
   79   HH12  ARG   9          HH12      ARG   9  16.697  -3.557   2.717
   80   HH21  ARG   9          HH21      ARG   9  16.309  -0.138   2.413
   81   HH22  ARG   9          HH22      ARG   9  16.702  -1.474   3.481
   82    H    ARG  10           H        ARG  10  11.960   0.620   0.598
   83    HA   ARG  10           HA       ARG  10  10.081  -0.803   2.221
   84    HB2  ARG  10           HB2      ARG  10  10.808   0.740   3.873
   85    HB3  ARG  10           HB3      ARG  10  12.047   0.482   3.008
   86    HG2  ARG  10           HG2      ARG  10  11.118   2.732   1.692
   87    HG3  ARG  10           HG3      ARG  10  10.352   2.992   2.971
   88    HD2  ARG  10           HD2      ARG  10  13.367   2.821   2.936
   89    HD3  ARG  10           HD3      ARG  10  12.531   4.109   3.099
   90    HE   ARG  10           HE       ARG  10  11.620   3.228   5.270
   91   HH11  ARG  10          HH11      ARG  10  14.694   1.834   4.131
   92   HH12  ARG  10          HH12      ARG  10  15.155   1.449   5.766
   93   HH21  ARG  10          HH21      ARG  10  12.324   2.646   7.267
   94   HH22  ARG  10          HH22      ARG  10  13.868   1.872   7.465
   95    H    GLU  11           H        GLU  11   9.465   1.687  -0.069
   96    HA   GLU  11           HA       GLU  11   6.610   1.897   0.860
   97    HB2  GLU  11           HB2      GLU  11   8.150   3.975  -0.673
   98    HB3  GLU  11           HB3      GLU  11   6.639   4.056  -0.478
   99    HG2  GLU  11           HG2      GLU  11   6.807   4.280   1.963
  100    HG3  GLU  11           HG3      GLU  11   8.184   3.645   2.082
  101    H    GLY  12           H        GLY  12   8.772   1.293  -1.915
  102    HA2  GLY  12           HA2      GLY  12   6.860   0.802  -3.939
  103    HA3  GLY  12           HA3      GLY  12   8.406  -0.039  -3.754
  104    H    ALA  13           H        ALA  13   7.993  -1.438  -1.325
  105    HA   ALA  13           HA       ALA  13   6.261  -3.611  -2.039
  106    HB1  ALA  13           HB1      ALA  13   8.252  -3.867  -0.622
  107    HB2  ALA  13           HB2      ALA  13   7.504  -2.857   0.638
  108    HB3  ALA  13           HB3      ALA  13   6.796  -4.433   0.219
  109    H    NLE  14           H        NLE  14   5.814  -0.885   0.230
  110    HA   NLE  14           HA       NLE  14   3.306  -1.681   1.286
  111    HB2  NLE  14           HB2      NLE  14   4.902   0.051   2.173
  112    HB3  NLE  14           HB3      NLE  14   4.301   1.170   0.938
  113    HG2  NLE  14           HG2      NLE  14   2.001   0.930   1.867
  114    HG3  NLE  14           HG3      NLE  14   2.616  -0.172   3.104
  115    HD2  NLE  14           HD2      NLE  14   3.433   2.752   2.758
  116    HD3  NLE  14           HD3      NLE  14   2.260   2.142   3.928
  117    HE1  NLE  14           HE1      NLE  14   4.365   2.510   5.064
  118    HE2  NLE  14           HE2      NLE  14   4.071   0.761   4.987
  119    HE3  NLE  14           HE3      NLE  14   5.247   1.526   3.888
  120    H    ASP  15           H        ASP  15   4.104   0.203  -1.626
  121    HA   ASP  15           HA       ASP  15   1.485   0.944  -2.415
  122    HB2  ASP  15           HB2      ASP  15   3.815   1.681  -3.365
  123    HB3  ASP  15           HB3      ASP  15   3.915   0.391  -4.153
  124    H    PHE  16           H        PHE  16   2.915  -2.251  -2.539
  125    HA   PHE  16           HA       PHE  16   0.545  -3.151  -4.126
  126    HB2  PHE  16           HB2      PHE  16   1.783  -4.918  -5.024
  127    HB3  PHE  16           HB3      PHE  16   2.506  -3.579  -5.384
  128    HD1  PHE  16           HD1      PHE  16   2.714  -6.235  -2.679
  129    HD2  PHE  16           HD2      PHE  16   4.834  -3.555  -5.316
  130    HE1  PHE  16           HE1      PHE  16   4.866  -7.255  -1.993
  131    HE2  PHE  16           HE2      PHE  16   6.978  -4.616  -4.665
  132    HZ   PHE  16           HZ       PHE  16   7.000  -6.463  -2.995
  133    H    TRP  17           H        TRP  17   1.990  -3.366  -0.977
  134    HA   TRP  17           HA       TRP  17   0.231  -5.509  -0.048
  135    HB2  TRP  17           HB2      TRP  17   2.123  -4.566   1.343
  136    HB3  TRP  17           HB3      TRP  17   1.529  -3.142   1.347
  137    HD1  TRP  17           HD1      TRP  17  -0.025  -2.436   3.240
  138    HE1  TRP  17           HE1      TRP  17  -1.250  -3.598   5.175
  139    HE3  TRP  17           HE3      TRP  17   0.830  -7.318   1.929
  140    HZ2  TRP  17           HZ2      TRP  17  -1.779  -6.295   6.052
  141    HZ3  TRP  17           HZ3      TRP  17  -0.033  -9.166   3.351
  142    HH2  TRP  17           HH2      TRP  17  -1.308  -8.665   5.422
  143    H    SER  18           H        SER  18  -0.052  -1.916  -0.009
  144    HA   SER  18           HA       SER  18  -2.721  -1.830   0.966
  145    HB2  SER  18           HB2      SER  18  -2.535   0.583   0.377
  146    HB3  SER  18           HB3      SER  18  -1.270   0.092   1.112
  147    HG   SER  18           HG       SER  18  -0.092   0.060  -0.732
  148    H    ALA  19           H        ALA  19  -1.655  -2.548  -2.263
  149    HA   ALA  19           HA       ALA  19  -4.054  -1.946  -3.698
  150    HB1  ALA  19           HB1      ALA  19  -1.845  -2.371  -4.737
  151    HB2  ALA  19           HB2      ALA  19  -1.934  -4.073  -4.220
  152    HB3  ALA  19           HB3      ALA  19  -3.099  -3.435  -5.396
  153    H    GLY  20           H        GLY  20  -3.488  -4.417  -1.336
  154    HA2  GLY  20           HA2      GLY  20  -6.156  -5.636  -1.940
  155    HA3  GLY  20           HA3      GLY  20  -4.736  -6.673  -1.808
  156    H    ABA  21           H        ABU  21  -3.779  -4.764   0.427
  157    HA   ABA  21           HA       ABU  21  -3.549  -4.937   2.646
  158    HB3  ABA  21           HB3      ABU  21  -6.425  -3.987   2.564
  159    HB2  ABA  21           HB2      ABU  21  -5.025  -3.005   2.119
  160    HG1  ABA  21           HG1      ABU  21  -5.676  -2.520   4.414
  161    HG3  ABA  21           HG3      ABU  21  -4.083  -3.304   4.402
  162    HG2  ABA  21           HG2      ABU  21  -5.534  -4.228   4.863
  163    H    TYR  22           H        TYR  22  -3.140  -6.960   3.314
  164    HA   TYR  22           HA       TYR  22  -3.326  -9.033   4.131
  165    HB2  TYR  22           HB2      TYR  22  -6.155  -8.655   4.966
  166    HB3  TYR  22           HB3      TYR  22  -5.201  -9.801   5.447
  167    HD1  TYR  22           HD1      TYR  22  -3.246  -9.426   6.951
  168    HD2  TYR  22           HD2      TYR  22  -6.086  -6.320   6.000
  169    HE1  TYR  22           HE1      TYR  22  -2.508  -8.134   8.954
  170    HE2  TYR  22           HE2      TYR  22  -5.346  -5.030   7.998
  171    HH   TYR  22           HH       TYR  22  -3.961  -4.978   9.826
  172    H    ALA  23           H        ALA  23  -4.116  -8.327   1.315
  173    HA   ALA  23           HA       ALA  23  -5.090  -9.162  -0.556
  174    HB1  ALA  23           HB1      ALA  23  -4.580 -11.496  -1.040
  175    HB2  ALA  23           HB2      ALA  23  -3.219 -10.721  -0.208
  176    HB3  ALA  23           HB3      ALA  23  -4.295 -11.822   0.683
  177    H    ARG  24           H        ARG  24  -6.940  -8.352   1.101
  178    HA   ARG  24           HA       ARG  24  -9.175 -10.346   1.266
  179    HB2  ARG  24           HB2      ARG  24  -8.067  -9.815   3.377
  180    HB3  ARG  24           HB3      ARG  24  -8.084  -8.243   3.157
  181    HG2  ARG  24           HG2      ARG  24  -9.761  -8.759   4.806
  182    HG3  ARG  24           HG3      ARG  24 -10.364  -7.984   3.639
  183    HD2  ARG  24           HD2      ARG  24 -11.177 -10.382   2.726
  184    HD3  ARG  24           HD3      ARG  24 -10.628 -10.993   4.022
  185    HE   ARG  24           HE       ARG  24 -12.442 -10.208   5.231
  186   HH11  ARG  24          HH11      ARG  24 -12.214  -8.176   2.368
  187   HH12  ARG  24          HH12      ARG  24 -13.746  -7.393   2.697
  188   HH21  ARG  24          HH21      ARG  24 -14.364  -9.094   5.605
  189   HH22  ARG  24          HH22      ARG  24 -14.869  -7.868   4.470
  190    H    GLY  25           H        GLY  25  -8.466  -8.260  -0.841
  191    HA2  GLY  25           HA2      GLY  25  -9.788  -7.124  -2.370
  192    HA3  GLY  25           HA3      GLY  25 -11.197  -7.370  -1.336
  193    H    VAL  26           H        VAL  26  -8.326  -5.855  -0.021
  194    HA   VAL  26           HA       VAL  26  -8.110  -3.952   1.160
  195    HB   VAL  26           HB       VAL  26  -7.085  -3.405  -0.839
  196   HG11  VAL  26          HG11      VAL  26  -9.669  -2.226  -1.908
  197   HG12  VAL  26          HG12      VAL  26  -8.057  -2.032  -2.624
  198   HG13  VAL  26          HG13      VAL  26  -8.789  -3.634  -2.539
  199   HG21  VAL  26          HG21      VAL  26  -8.576  -0.939   0.094
  200   HG22  VAL  26          HG22      VAL  26  -7.200  -1.692   0.940
  201   HG23  VAL  26          HG23      VAL  26  -6.992  -1.016  -0.682
  202    HA   PRO  27           HA       PRO  27 -12.483  -4.070   2.417
  203    HB2  PRO  27           HB2      PRO  27 -11.457  -3.082   5.028
  204    HB3  PRO  27           HB3      PRO  27 -12.523  -4.050   4.783
  205    HG2  PRO  27           HG2      PRO  27 -10.261  -5.397   5.028
  206    HG3  PRO  27           HG3      PRO  27 -11.205  -5.851   3.935
  207    HD2  PRO  27           HD2      PRO  27  -8.753  -4.328   3.212
  208    HD3  PRO  27           HD3      PRO  27  -9.414  -5.468   2.500
  209    H    LEU  28           H        LEU  28 -10.592  -1.082   3.162
  210    HA   LEU  28           HA       LEU  28 -12.878   0.597   3.376
  211    HB2  LEU  28           HB2      LEU  28 -11.322   2.369   3.485
  212    HB3  LEU  28           HB3      LEU  28 -10.882   1.207   4.465
  213    HG   LEU  28           HG       LEU  28  -9.007   2.345   3.430
  214   HD11  LEU  28          HD11      LEU  28  -8.963  -0.540   2.497
  215   HD12  LEU  28          HD12      LEU  28  -8.756  -0.018   4.192
  216   HD13  LEU  28          HD13      LEU  28  -7.605   0.495   2.950
  217   HD21  LEU  28          HD21      LEU  28  -9.980   2.758   1.179
  218   HD22  LEU  28          HD22      LEU  28  -9.712   1.045   0.786
  219   HD23  LEU  28          HD23      LEU  28  -8.337   2.095   1.150
  220    H    SER  29           H        SER  29 -11.702  -0.763   0.544
  221    HA   SER  29           HA       SER  29 -13.393   1.046  -1.118
  222    HB2  SER  29           HB2      SER  29 -10.712   0.004  -2.060
  223    HB3  SER  29           HB3      SER  29 -11.758   0.664  -2.988
  224    HG   SER  29           HG       SER  29 -10.235   2.170  -2.156
  225    H    GLU  30           H        GLU  30 -13.321  -1.950   0.124
  226    HA   GLU  30           HA       GLU  30 -13.851  -3.675  -2.121
  227    HB2  GLU  30           HB2      GLU  30 -13.425  -4.149   0.505
  228    HB3  GLU  30           HB3      GLU  30 -14.944  -3.950   0.671
  229    HG2  GLU  30           HG2      GLU  30 -15.081  -5.835  -1.275
  230    HG3  GLU  30           HG3      GLU  30 -13.610  -6.108  -0.983
  231    HA   PRO  31           HA       PRO  31 -17.871  -2.132  -3.284
  232    HB2  PRO  31           HB2      PRO  31 -18.873  -4.843  -3.915
  233    HB3  PRO  31           HB3      PRO  31 -18.976  -3.618  -4.714
  234    HG2  PRO  31           HG2      PRO  31 -16.826  -4.960  -5.498
  235    HG3  PRO  31           HG3      PRO  31 -16.707  -3.452  -5.424
  236    HD2  PRO  31           HD2      PRO  31 -15.445  -5.127  -3.307
  237    HD3  PRO  31           HD3      PRO  31 -14.942  -3.880  -3.972
  238    HA   PRO  32           HA       PRO  32 -20.806  -4.170   0.017
  239    HB2  PRO  32           HB2      PRO  32 -19.112  -5.405   2.074
  240    HB3  PRO  32           HB3      PRO  32 -20.404  -5.861   1.572
  241    HG2  PRO  32           HG2      PRO  32 -18.500  -7.238   0.341
  242    HG3  PRO  32           HG3      PRO  32 -19.663  -6.798  -0.509
  243    HD2  PRO  32           HD2      PRO  32 -17.098  -5.220  -0.622
  244    HD3  PRO  32           HD3      PRO  32 -17.893  -5.765  -1.735
  245    H    GLN  33           H        GLN  33 -17.789  -2.483   0.632
  246    HA   GLN  33           HA       GLN  33 -19.068  -0.776   2.733
  247    HB2  GLN  33           HB2      GLN  33 -16.165  -1.001   2.017
  248    HB3  GLN  33           HB3      GLN  33 -16.707   0.122   2.969
  249    HG2  GLN  33           HG2      GLN  33 -16.224  -1.434   4.619
  250    HG3  GLN  33           HG3      GLN  33 -17.728  -1.594   4.540
  251   HE21  GLN  33          HE21      GLN  33 -14.884  -3.024   2.849
  252   HE22  GLN  33          HE22      GLN  33 -15.489  -4.678   2.847
  253    H    ALA  34           H        ALA  34 -18.818  -0.844  -0.567
  254    HA   ALA  34           HA       ALA  34 -18.822   0.650  -2.261
  255    HB1  ALA  34           HB1      ALA  34 -20.694   2.015  -0.295
  256    HB2  ALA  34           HB2      ALA  34 -20.736   2.150  -2.067
  257    HB3  ALA  34           HB3      ALA  34 -21.080   0.594  -1.294
  258    H    LEU  35           H        LEU  35 -16.471   1.157  -0.887
  259    HA   LEU  35           HA       LEU  35 -14.757   2.606  -0.642
  260    HB2  LEU  35           HB2      LEU  35 -16.102   4.285  -2.710
  261    HB3  LEU  35           HB3      LEU  35 -14.624   4.547  -2.195
  262    HG   LEU  35           HG       LEU  35 -13.836   2.330  -2.999
  263   HD11  LEU  35          HD11      LEU  35 -15.204   1.240  -4.817
  264   HD12  LEU  35          HD12      LEU  35 -16.606   2.189  -4.274
  265   HD13  LEU  35          HD13      LEU  35 -15.846   0.980  -3.206
  266   HD21  LEU  35          HD21      LEU  35 -13.785   3.028  -5.356
  267   HD22  LEU  35          HD22      LEU  35 -13.550   4.413  -4.283
  268   HD23  LEU  35          HD23      LEU  35 -15.127   4.159  -5.064
  269    HN1  NH2  36           H1       NHE  36 -17.237   3.061   1.141
  270    HN2  NH2  36           H2       NHE  36 -16.892   4.632   1.840
  Start of MODEL    3
    1    H1   ARG   1           H1       ARG   1   6.982  11.849  -4.890
    2    H2   ARG   1           H2       ARG   1   6.758  10.380  -4.205
    3    H3   ARG   1           H3       ARG   1   7.611  10.519  -5.597
    4    HA   ARG   1           HA       ARG   1   8.434  11.650  -3.001
    5    HB2  ARG   1           HB2      ARG   1   9.367   9.135  -4.354
    6    HB3  ARG   1           HB3      ARG   1  10.424   9.899  -3.529
    7    HG2  ARG   1           HG2      ARG   1   7.944   8.824  -2.219
    8    HG3  ARG   1           HG3      ARG   1   9.343   8.167  -2.167
    9    HD2  ARG   1           HD2      ARG   1  10.174  10.515  -1.118
   10    HD3  ARG   1           HD3      ARG   1   8.702  10.891  -0.977
   11    HE   ARG   1           HE       ARG   1   8.777   8.318   0.174
   12   HH11  ARG   1          HH11      ARG   1  10.056  11.510   0.912
   13   HH12  ARG   1          HH12      ARG   1  10.372  11.082   2.570
   14   HH21  ARG   1          HH21      ARG   1   9.385   7.808   2.186
   15   HH22  ARG   1          HH22      ARG   1   9.934   9.046   3.308
   16    H    ASP   2           H        ASP   2  10.432  12.689  -2.930
   17    HA   ASP   2           HA       ASP   2  11.547  13.598  -5.551
   18    HB2  ASP   2           HB2      ASP   2  10.455  15.351  -4.051
   19    HB3  ASP   2           HB3      ASP   2  11.372  15.048  -2.896
   20    HA   PRO   3           HA       PRO   3  15.499  12.719  -3.077
   21    HB2  PRO   3           HB2      PRO   3  15.621  11.663  -0.634
   22    HB3  PRO   3           HB3      PRO   3  15.343  13.142  -0.830
   23    HG2  PRO   3           HG2      PRO   3  13.113  11.296  -0.134
   24    HG3  PRO   3           HG3      PRO   3  13.378  12.626   0.407
   25    HD2  PRO   3           HD2      PRO   3  11.676  12.761  -1.688
   26    HD3  PRO   3           HD3      PRO   3  12.640  13.918  -1.409
   27    H    LEU   4           H        LEU   4  13.035  10.207  -2.563
   28    HA   LEU   4           HA       LEU   4  12.960   7.973  -2.887
   29    HB2  LEU   4           HB2      LEU   4  13.126   9.357  -5.318
   30    HB3  LEU   4           HB3      LEU   4  14.145   8.296  -5.616
   31    HG   LEU   4           HG       LEU   4  11.352   7.571  -4.605
   32   HD11  LEU   4          HD11      LEU   4  11.291   8.695  -6.795
   33   HD12  LEU   4          HD12      LEU   4  10.856   6.985  -6.940
   34   HD13  LEU   4          HD13      LEU   4  12.475   7.532  -7.434
   35   HD21  LEU   4          HD21      LEU   4  11.794   5.310  -5.479
   36   HD22  LEU   4          HD22      LEU   4  12.941   5.728  -4.201
   37   HD23  LEU   4          HD23      LEU   4  13.455   5.786  -5.898
   38    H    LEU   5           H        LEU   5  15.331   8.501  -1.434
   39    HA   LEU   5           HA       LEU   5  17.594   7.093  -2.540
   40    HB2  LEU   5           HB2      LEU   5  17.156   7.815   0.344
   41    HB3  LEU   5           HB3      LEU   5  18.508   7.314  -0.218
   42    HG   LEU   5           HG       LEU   5  17.218   9.888  -1.213
   43   HD11  LEU   5          HD11      LEU   5  17.954  10.005   1.134
   44   HD12  LEU   5          HD12      LEU   5  18.970  11.005   0.084
   45   HD13  LEU   5          HD13      LEU   5  19.570   9.434   0.662
   46   HD21  LEU   5          HD21      LEU   5  18.679   8.974  -2.951
   47   HD22  LEU   5          HD22      LEU   5  19.975   8.703  -1.759
   48   HD23  LEU   5          HD23      LEU   5  19.464  10.353  -2.184
   49    H    ASP   6           H        ASP   6  14.955   6.005  -0.473
   50    HA   ASP   6           HA       ASP   6  15.791   3.190  -0.944
   51    HB2  ASP   6           HB2      ASP   6  16.516   4.199   1.432
   52    HB3  ASP   6           HB3      ASP   6  15.054   4.206   1.827
   53    H    ALA   7           H        ALA   7  13.341   5.387  -1.184
   54    HA   ALA   7           HA       ALA   7  11.057   4.159  -0.101
   55    HB1  ALA   7           HB1      ALA   7   9.822   5.601  -1.663
   56    HB2  ALA   7           HB2      ALA   7  11.151   6.479  -0.886
   57    HB3  ALA   7           HB3      ALA   7  11.307   5.921  -2.570
   58    H    NLE   8           H        NLE   8  12.685   3.465  -3.189
   59    HA   NLE   8           HA       NLE   8  10.669   2.012  -4.454
   60    HB2  NLE   8           HB2      NLE   8  12.242   1.232  -5.958
   61    HB3  NLE   8           HB3      NLE   8  12.826   2.806  -5.475
   62    HG2  NLE   8           HG2      NLE   8  13.884   0.091  -4.546
   63    HG3  NLE   8           HG3      NLE   8  14.617   1.124  -5.751
   64    HD2  NLE   8           HD2      NLE   8  14.381   1.790  -2.785
   65    HD3  NLE   8           HD3      NLE   8  15.814   1.199  -3.619
   66    HE1  NLE   8           HE1      NLE   8  15.799   3.246  -5.069
   67    HE2  NLE   8           HE2      NLE   8  14.448   3.877  -4.100
   68    HE3  NLE   8           HE3      NLE   8  16.023   3.592  -3.347
   69    H    ARG   9           H        ARG   9  12.570   0.945  -1.738
   70    HA   ARG   9           HA       ARG   9  11.657  -1.894  -2.022
   71    HB2  ARG   9           HB2      ARG   9  13.270  -0.801   0.260
   72    HB3  ARG   9           HB3      ARG   9  12.932  -2.290   0.030
   73    HG2  ARG   9           HG2      ARG   9  14.240  -2.005  -2.298
   74    HG3  ARG   9           HG3      ARG   9  14.719  -0.650  -1.810
   75    HD2  ARG   9           HD2      ARG   9  15.481  -3.192  -0.363
   76    HD3  ARG   9           HD3      ARG   9  16.417  -2.295  -1.193
   77    HE   ARG   9           HE       ARG   9  15.910  -0.383   0.492
   78   HH11  ARG   9          HH11      ARG   9  16.075  -3.749   1.483
   79   HH12  ARG   9          HH12      ARG   9  16.299  -3.313   3.156
   80   HH21  ARG   9          HH21      ARG   9  16.033   0.083   2.573
   81   HH22  ARG   9          HH22      ARG   9  16.333  -1.176   3.759
   82    H    ARG  10           H        ARG  10  11.565   0.577   0.545
   83    HA   ARG  10           HA       ARG  10   9.594  -0.883   2.044
   84    HB2  ARG  10           HB2      ARG  10  10.024   0.815   3.694
   85    HB3  ARG  10           HB3      ARG  10  11.376   0.372   3.071
   86    HG2  ARG  10           HG2      ARG  10  10.762   2.627   1.497
   87    HG3  ARG  10           HG3      ARG  10  10.004   3.030   2.735
   88    HD2  ARG  10           HD2      ARG  10  12.973   2.437   2.837
   89    HD3  ARG  10           HD3      ARG  10  12.349   3.847   2.837
   90    HE   ARG  10           HE       ARG  10  11.095   3.063   5.018
   91   HH11  ARG  10          HH11      ARG  10  14.418   2.135   4.179
   92   HH12  ARG  10          HH12      ARG  10  14.852   2.015   5.863
   93   HH21  ARG  10          HH21      ARG  10  11.767   2.835   7.107
   94   HH22  ARG  10          HH22      ARG  10  13.407   2.381   7.456
   95    H    GLU  11           H        GLU  11   9.245   2.154   0.194
   96    HA   GLU  11           HA       GLU  11   6.334   2.243   0.753
   97    HB2  GLU  11           HB2      GLU  11   7.991   4.100  -0.942
   98    HB3  GLU  11           HB3      GLU  11   6.478   4.244  -0.825
   99    HG2  GLU  11           HG2      GLU  11   6.544   4.652   1.609
  100    HG3  GLU  11           HG3      GLU  11   7.922   4.040   1.827
  101    H    GLY  12           H        GLY  12   8.538   1.289  -1.866
  102    HA2  GLY  12           HA2      GLY  12   6.674   0.638  -3.896
  103    HA3  GLY  12           HA3      GLY  12   8.187  -0.222  -3.572
  104    H    ALA  13           H        ALA  13   7.743  -1.406  -1.093
  105    HA   ALA  13           HA       ALA  13   5.971  -3.575  -1.602
  106    HB1  ALA  13           HB1      ALA  13   7.920  -3.742  -0.129
  107    HB2  ALA  13           HB2      ALA  13   7.183  -2.598   1.016
  108    HB3  ALA  13           HB3      ALA  13   6.439  -4.187   0.740
  109    H    NLE  14           H        NLE  14   5.498  -0.707   0.549
  110    HA   NLE  14           HA       NLE  14   2.884  -1.392   1.408
  111    HB2  NLE  14           HB2      NLE  14   4.231   1.303   1.100
  112    HB3  NLE  14           HB3      NLE  14   2.614   1.101   1.784
  113    HG2  NLE  14           HG2      NLE  14   3.505  -0.462   3.491
  114    HG3  NLE  14           HG3      NLE  14   5.140  -0.203   2.891
  115    HD2  NLE  14           HD2      NLE  14   3.317   1.937   4.080
  116    HD3  NLE  14           HD3      NLE  14   4.628   1.111   4.925
  117    HE1  NLE  14           HE1      NLE  14   6.266   2.078   3.296
  118    HE2  NLE  14           HE2      NLE  14   4.932   2.996   2.549
  119    HE3  NLE  14           HE3      NLE  14   5.392   3.306   4.230
  120    H    ASP  15           H        ASP  15   3.887   0.279  -1.584
  121    HA   ASP  15           HA       ASP  15   1.299   1.017  -2.488
  122    HB2  ASP  15           HB2      ASP  15   3.657   1.686  -3.419
  123    HB3  ASP  15           HB3      ASP  15   3.764   0.359  -4.137
  124    H    PHE  16           H        PHE  16   2.687  -2.192  -2.411
  125    HA   PHE  16           HA       PHE  16   0.327  -3.147  -3.985
  126    HB2  PHE  16           HB2      PHE  16   1.582  -4.961  -4.805
  127    HB3  PHE  16           HB3      PHE  16   2.281  -3.634  -5.230
  128    HD1  PHE  16           HD1      PHE  16   2.534  -6.191  -2.444
  129    HD2  PHE  16           HD2      PHE  16   4.609  -3.502  -5.105
  130    HE1  PHE  16           HE1      PHE  16   4.706  -7.120  -1.695
  131    HE2  PHE  16           HE2      PHE  16   6.778  -4.462  -4.379
  132    HZ   PHE  16           HZ       PHE  16   6.832  -6.272  -2.671
  133    H    TRP  17           H        TRP  17   1.831  -3.295  -0.844
  134    HA   TRP  17           HA       TRP  17   0.112  -5.412   0.176
  135    HB2  TRP  17           HB2      TRP  17   2.048  -4.385   1.468
  136    HB3  TRP  17           HB3      TRP  17   1.385  -2.989   1.490
  137    HD1  TRP  17           HD1      TRP  17  -0.153  -2.354   3.427
  138    HE1  TRP  17           HE1      TRP  17  -1.193  -3.564   5.439
  139    HE3  TRP  17           HE3      TRP  17   0.976  -7.186   2.138
  140    HZ2  TRP  17           HZ2      TRP  17  -1.466  -6.273   6.388
  141    HZ3  TRP  17           HZ3      TRP  17   0.327  -9.063   3.633
  142    HH2  TRP  17           HH2      TRP  17  -0.862  -8.616   5.768
  143    H    SER  18           H        SER  18  -0.238  -1.815   0.096
  144    HA   SER  18           HA       SER  18  -2.875  -1.760   1.169
  145    HB2  SER  18           HB2      SER  18  -2.783   0.628   0.497
  146    HB3  SER  18           HB3      SER  18  -1.459   0.209   1.167
  147    HG   SER  18           HG       SER  18  -0.399   0.155  -0.740
  148    H    ALA  19           H        ALA  19  -1.887  -2.561  -2.074
  149    HA   ALA  19           HA       ALA  19  -4.366  -2.093  -3.427
  150    HB1  ALA  19           HB1      ALA  19  -2.175  -2.454  -4.540
  151    HB2  ALA  19           HB2      ALA  19  -2.190  -4.151  -3.996
  152    HB3  ALA  19           HB3      ALA  19  -3.419  -3.569  -5.132
  153    H    GLY  20           H        GLY  20  -3.612  -4.453  -1.012
  154    HA2  GLY  20           HA2      GLY  20  -6.220  -5.838  -1.512
  155    HA3  GLY  20           HA3      GLY  20  -4.741  -6.783  -1.365
  156    H    ABA  21           H        ABU  21  -3.863  -4.749   0.785
  157    HA   ABA  21           HA       ABU  21  -3.559  -4.843   2.989
  158    HB3  ABA  21           HB3      ABU  21  -6.496  -4.117   3.040
  159    HB2  ABA  21           HB2      ABU  21  -5.218  -3.042   2.459
  160    HG1  ABA  21           HG1      ABU  21  -5.751  -2.519   4.779
  161    HG3  ABA  21           HG3      ABU  21  -4.100  -3.163   4.676
  162    HG2  ABA  21           HG2      ABU  21  -5.426  -4.190   5.275
  163    H    TYR  22           H        TYR  22  -2.990  -6.732   3.873
  164    HA   TYR  22           HA       TYR  22  -3.009  -8.829   4.675
  165    HB2  TYR  22           HB2      TYR  22  -5.821  -8.576   5.616
  166    HB3  TYR  22           HB3      TYR  22  -4.791  -9.646   6.097
  167    HD1  TYR  22           HD1      TYR  22  -2.808  -9.113   7.518
  168    HD2  TYR  22           HD2      TYR  22  -5.818  -6.185   6.534
  169    HE1  TYR  22           HE1      TYR  22  -2.057  -7.697   9.430
  170    HE2  TYR  22           HE2      TYR  22  -5.063  -4.766   8.440
  171    HH   TYR  22           HH       TYR  22  -3.614  -4.562  10.206
  172    H    ALA  23           H        ALA  23  -3.874  -8.266   1.893
  173    HA   ALA  23           HA       ALA  23  -4.870  -9.134   0.062
  174    HB1  ALA  23           HB1      ALA  23  -4.354 -11.474  -0.387
  175    HB2  ALA  23           HB2      ALA  23  -2.994 -10.685   0.427
  176    HB3  ALA  23           HB3      ALA  23  -4.064 -11.772   1.340
  177    H    ARG  24           H        ARG  24  -6.697  -8.486   2.108
  178    HA   ARG  24           HA       ARG  24  -8.835 -10.545   2.155
  179    HB2  ARG  24           HB2      ARG  24  -8.015  -9.357   4.202
  180    HB3  ARG  24           HB3      ARG  24  -8.323  -7.926   3.623
  181    HG2  ARG  24           HG2      ARG  24 -10.130  -8.422   5.128
  182    HG3  ARG  24           HG3      ARG  24 -10.688  -8.146   3.733
  183    HD2  ARG  24           HD2      ARG  24 -10.779 -10.821   3.441
  184    HD3  ARG  24           HD3      ARG  24 -10.313 -10.941   4.896
  185    HE   ARG  24           HE       ARG  24 -12.416 -10.358   5.691
  186   HH11  ARG  24          HH11      ARG  24 -12.240  -9.214   2.365
  187   HH12  ARG  24          HH12      ARG  24 -13.902  -8.670   2.370
  188   HH21  ARG  24          HH21      ARG  24 -14.543  -9.632   5.603
  189   HH22  ARG  24          HH22      ARG  24 -15.135  -8.910   4.127
  190    H    GLY  25           H        GLY  25  -8.045  -7.929   0.193
  191    HA2  GLY  25           HA2      GLY  25  -9.406  -7.374  -1.732
  192    HA3  GLY  25           HA3      GLY  25 -10.873  -7.649  -0.794
  193    H    VAL  26           H        VAL  26  -8.148  -5.859   0.512
  194    HA   VAL  26           HA       VAL  26  -8.042  -3.865   1.534
  195    HB   VAL  26           HB       VAL  26  -7.091  -3.408  -0.534
  196   HG11  VAL  26          HG11      VAL  26  -9.770  -2.459  -1.597
  197   HG12  VAL  26          HG12      VAL  26  -8.192  -2.190  -2.364
  198   HG13  VAL  26          HG13      VAL  26  -8.805  -3.832  -2.174
  199   HG21  VAL  26          HG21      VAL  26  -8.695  -0.985   0.321
  200   HG22  VAL  26          HG22      VAL  26  -7.226  -1.600   1.124
  201   HG23  VAL  26          HG23      VAL  26  -7.153  -1.001  -0.538
  202    HA   PRO  27           HA       PRO  27 -12.438  -4.050   2.851
  203    HB2  PRO  27           HB2      PRO  27 -11.350  -3.051   5.427
  204    HB3  PRO  27           HB3      PRO  27 -12.423  -4.019   5.210
  205    HG2  PRO  27           HG2      PRO  27 -10.163  -5.373   5.442
  206    HG3  PRO  27           HG3      PRO  27 -11.112  -5.836   4.363
  207    HD2  PRO  27           HD2      PRO  27  -8.679  -4.291   3.604
  208    HD3  PRO  27           HD3      PRO  27  -9.314  -5.461   2.924
  209    H    LEU  28           H        LEU  28 -10.439  -1.107   3.453
  210    HA   LEU  28           HA       LEU  28 -12.689   0.647   3.662
  211    HB2  LEU  28           HB2      LEU  28 -11.086   2.370   3.758
  212    HB3  LEU  28           HB3      LEU  28 -10.679   1.204   4.757
  213    HG   LEU  28           HG       LEU  28  -8.761   2.260   3.748
  214   HD11  LEU  28          HD11      LEU  28  -8.830  -0.606   2.753
  215   HD12  LEU  28          HD12      LEU  28  -8.586  -0.123   4.455
  216   HD13  LEU  28          HD13      LEU  28  -7.427   0.364   3.211
  217   HD21  LEU  28          HD21      LEU  28  -9.703   2.773   1.509
  218   HD22  LEU  28          HD22      LEU  28  -9.521   1.061   1.071
  219   HD23  LEU  28          HD23      LEU  28  -8.094   2.031   1.459
  220    H    SER  29           H        SER  29 -11.526  -0.804   0.871
  221    HA   SER  29           HA       SER  29 -13.132   1.023  -0.853
  222    HB2  SER  29           HB2      SER  29 -10.463  -0.122  -1.719
  223    HB3  SER  29           HB3      SER  29 -11.474   0.528  -2.689
  224    HG   SER  29           HG       SER  29  -9.935   2.028  -1.878
  225    H    GLU  30           H        GLU  30 -12.897  -2.073   0.337
  226    HA   GLU  30           HA       GLU  30 -13.524  -3.839  -1.717
  227    HB2  GLU  30           HB2      GLU  30 -13.292  -4.127   0.920
  228    HB3  GLU  30           HB3      GLU  30 -14.785  -3.761   1.022
  229    HG2  GLU  30           HG2      GLU  30 -15.102  -5.829  -0.690
  230    HG3  GLU  30           HG3      GLU  30 -13.641  -6.185  -0.406
  231    HA   PRO  31           HA       PRO  31 -17.296  -2.346  -3.494
  232    HB2  PRO  31           HB2      PRO  31 -18.373  -5.081  -3.862
  233    HB3  PRO  31           HB3      PRO  31 -18.329  -3.978  -4.822
  234    HG2  PRO  31           HG2      PRO  31 -16.177  -5.485  -5.173
  235    HG3  PRO  31           HG3      PRO  31 -15.994  -3.988  -5.294
  236    HD2  PRO  31           HD2      PRO  31 -15.025  -5.383  -2.851
  237    HD3  PRO  31           HD3      PRO  31 -14.420  -4.238  -3.614
  238    HA   PRO  32           HA       PRO  32 -20.727  -3.746  -0.355
  239    HB2  PRO  32           HB2      PRO  32 -19.425  -4.796   2.047
  240    HB3  PRO  32           HB3      PRO  32 -20.650  -5.266   1.403
  241    HG2  PRO  32           HG2      PRO  32 -18.643  -6.851   0.682
  242    HG3  PRO  32           HG3      PRO  32 -19.654  -6.515  -0.378
  243    HD2  PRO  32           HD2      PRO  32 -17.035  -5.031  -0.333
  244    HD3  PRO  32           HD3      PRO  32 -17.693  -5.705  -1.468
  245    H    GLN  33           H        GLN  33 -17.657  -2.229   0.518
  246    HA   GLN  33           HA       GLN  33 -19.028  -0.203   2.238
  247    HB2  GLN  33           HB2      GLN  33 -16.090  -0.641   1.807
  248    HB3  GLN  33           HB3      GLN  33 -16.643   0.625   2.549
  249    HG2  GLN  33           HG2      GLN  33 -16.359  -0.738   4.417
  250    HG3  GLN  33           HG3      GLN  33 -17.864  -0.779   4.254
  251   HE21  GLN  33          HE21      GLN  33 -15.017  -2.670   3.136
  252   HE22  GLN  33          HE22      GLN  33 -15.807  -4.241   3.176
  253    H    ALA  34           H        ALA  34 -18.189  -0.654  -1.022
  254    HA   ALA  34           HA       ALA  34 -17.888   0.685  -2.822
  255    HB1  ALA  34           HB1      ALA  34 -20.155   2.150  -1.426
  256    HB2  ALA  34           HB2      ALA  34 -19.822   2.130  -3.173
  257    HB3  ALA  34           HB3      ALA  34 -20.299   0.635  -2.349
  258    H    LEU  35           H        LEU  35 -15.870   1.377  -1.095
  259    HA   LEU  35           HA       LEU  35 -14.268   2.887  -0.618
  260    HB2  LEU  35           HB2      LEU  35 -15.169   4.505  -2.961
  261    HB3  LEU  35           HB3      LEU  35 -13.786   4.669  -2.205
  262    HG   LEU  35           HG       LEU  35 -13.234   2.214  -2.801
  263   HD11  LEU  35          HD11      LEU  35 -14.212   1.497  -4.997
  264   HD12  LEU  35          HD12      LEU  35 -15.445   2.766  -4.830
  265   HD13  LEU  35          HD13      LEU  35 -15.369   1.409  -3.682
  266   HD21  LEU  35          HD21      LEU  35 -12.356   2.935  -4.987
  267   HD22  LEU  35          HD22      LEU  35 -12.123   4.181  -3.757
  268   HD23  LEU  35          HD23      LEU  35 -13.428   4.357  -4.954
  269    HN1  NH2  36           H1       NHE  36 -17.102   3.422   0.578
  270    HN2  NH2  36           H2       NHE  36 -16.890   5.031   1.245
  Start of MODEL    4
    1    H1   ARG   1           H1       ARG   1   7.534  12.344  -4.730
    2    H2   ARG   1           H2       ARG   1   7.193  10.878  -4.083
    3    H3   ARG   1           H3       ARG   1   8.017  10.988  -5.496
    4    HA   ARG   1           HA       ARG   1   9.014  11.949  -2.895
    5    HB2  ARG   1           HB2      ARG   1   9.719   9.424  -4.375
    6    HB3  ARG   1           HB3      ARG   1  10.829  10.058  -3.514
    7    HG2  ARG   1           HG2      ARG   1   8.272   9.115  -2.256
    8    HG3  ARG   1           HG3      ARG   1   9.625   8.372  -2.217
    9    HD2  ARG   1           HD2      ARG   1  10.605  10.612  -1.079
   10    HD3  ARG   1           HD3      ARG   1   9.159  11.100  -0.951
   11    HE   ARG   1           HE       ARG   1   9.041   8.486   0.123
   12   HH11  ARG   1          HH11      ARG   1  10.464  11.589   0.971
   13   HH12  ARG   1          HH12      ARG   1  10.678  11.121   2.634
   14   HH21  ARG   1          HH21      ARG   1   9.534   7.906   2.140
   15   HH22  ARG   1          HH22      ARG   1  10.107   9.087   3.310
   16    H    ASP   2           H        ASP   2  11.322  12.470  -2.927
   17    HA   ASP   2           HA       ASP   2  12.355  13.429  -5.551
   18    HB2  ASP   2           HB2      ASP   2  11.251  15.324  -4.229
   19    HB3  ASP   2           HB3      ASP   2  12.116  15.091  -3.022
   20    HA   PRO   3           HA       PRO   3  16.189  12.634  -2.860
   21    HB2  PRO   3           HB2      PRO   3  16.161  11.753  -0.340
   22    HB3  PRO   3           HB3      PRO   3  15.976  13.226  -0.658
   23    HG2  PRO   3           HG2      PRO   3  13.618  11.558   0.070
   24    HG3  PRO   3           HG3      PRO   3  13.937  12.907   0.531
   25    HD2  PRO   3           HD2      PRO   3  12.336  13.002  -1.630
   26    HD3  PRO   3           HD3      PRO   3  13.373  14.108  -1.411
   27    H    LEU   4           H        LEU   4  13.569  10.300  -2.357
   28    HA   LEU   4           HA       LEU   4  13.365   8.061  -2.619
   29    HB2  LEU   4           HB2      LEU   4  13.782   9.372  -5.053
   30    HB3  LEU   4           HB3      LEU   4  14.765   8.258  -5.263
   31    HG   LEU   4           HG       LEU   4  11.872   7.691  -4.447
   32   HD11  LEU   4          HD11      LEU   4  12.029   8.784  -6.646
   33   HD12  LEU   4          HD12      LEU   4  11.519   7.096  -6.805
   34   HD13  LEU   4          HD13      LEU   4  13.196   7.555  -7.184
   35   HD21  LEU   4          HD21      LEU   4  12.263   5.395  -5.255
   36   HD22  LEU   4          HD22      LEU   4  13.336   5.780  -3.905
   37   HD23  LEU   4          HD23      LEU   4  13.972   5.786  -5.561
   38    H    LEU   5           H        LEU   5  15.601   8.410  -0.972
   39    HA   LEU   5           HA       LEU   5  17.857   6.844  -1.874
   40    HB2  LEU   5           HB2      LEU   5  17.232   7.620   0.959
   41    HB3  LEU   5           HB3      LEU   5  18.594   7.040   0.503
   42    HG   LEU   5           HG       LEU   5  17.527   9.678  -0.588
   43   HD11  LEU   5          HD11      LEU   5  18.104   9.772   1.806
   44   HD12  LEU   5          HD12      LEU   5  19.245  10.705   0.824
   45   HD13  LEU   5          HD13      LEU   5  19.714   9.107   1.448
   46   HD21  LEU   5          HD21      LEU   5  19.057   8.670  -2.213
   47   HD22  LEU   5          HD22      LEU   5  20.246   8.338  -0.929
   48   HD23  LEU   5          HD23      LEU   5  19.860  10.010  -1.396
   49    H    ASP   6           H        ASP   6  14.955   5.948  -0.106
   50    HA   ASP   6           HA       ASP   6  15.674   3.077  -0.426
   51    HB2  ASP   6           HB2      ASP   6  16.217   4.064   1.988
   52    HB3  ASP   6           HB3      ASP   6  14.733   4.232   2.226
   53    H    ALA   7           H        ALA   7  13.372   5.430  -0.905
   54    HA   ALA   7           HA       ALA   7  10.930   4.313  -0.095
   55    HB1  ALA   7           HB1      ALA   7   9.936   5.809  -1.758
   56    HB2  ALA   7           HB2      ALA   7  11.218   6.624  -0.847
   57    HB3  ALA   7           HB3      ALA   7  11.518   6.064  -2.509
   58    H    NLE   8           H        NLE   8  12.841   3.549  -2.999
   59    HA   NLE   8           HA       NLE   8  10.924   2.101  -4.434
   60    HB2  NLE   8           HB2      NLE   8  12.612   1.288  -5.772
   61    HB3  NLE   8           HB3      NLE   8  13.198   2.846  -5.244
   62    HG2  NLE   8           HG2      NLE   8  14.073   0.105  -4.203
   63    HG3  NLE   8           HG3      NLE   8  14.951   1.105  -5.338
   64    HD2  NLE   8           HD2      NLE   8  14.447   1.816  -2.417
   65    HD3  NLE   8           HD3      NLE   8  15.932   1.153  -3.089
   66    HE1  NLE   8           HE1      NLE   8  16.155   3.170  -4.560
   67    HE2  NLE   8           HE2      NLE   8  14.736   3.873  -3.749
   68    HE3  NLE   8           HE3      NLE   8  16.210   3.540  -2.828
   69    H    ARG   9           H        ARG   9  12.496   1.126  -1.505
   70    HA   ARG   9           HA       ARG   9  11.456  -1.684  -1.758
   71    HB2  ARG   9           HB2      ARG   9  13.236  -0.688   0.446
   72    HB3  ARG   9           HB3      ARG   9  12.744  -2.143   0.276
   73    HG2  ARG   9           HG2      ARG   9  13.967  -2.051  -2.112
   74    HG3  ARG   9           HG3      ARG   9  14.605  -0.745  -1.690
   75    HD2  ARG   9           HD2      ARG   9  15.140  -3.297  -0.156
   76    HD3  ARG   9           HD3      ARG   9  16.120  -2.605  -1.121
   77    HE   ARG   9           HE       ARG   9  15.664  -0.514   0.629
   78   HH11  ARG   9          HH11      ARG   9  16.613  -3.851   1.235
   79   HH12  ARG   9          HH12      ARG   9  17.372  -3.418   2.744
   80   HH21  ARG   9          HH21      ARG   9  16.560  -0.070   2.421
   81   HH22  ARG   9          HH22      ARG   9  17.361  -1.277   3.435
   82    H    ARG  10           H        ARG  10  11.589   0.887   0.747
   83    HA   ARG  10           HA       ARG  10   9.596  -0.446   2.313
   84    HB2  ARG  10           HB2      ARG  10  10.143   1.195   3.918
   85    HB3  ARG  10           HB3      ARG  10  11.464   0.945   3.177
   86    HG2  ARG  10           HG2      ARG  10  10.671   3.081   1.684
   87    HG3  ARG  10           HG3      ARG  10   9.663   3.362   2.799
   88    HD2  ARG  10           HD2      ARG  10  12.635   3.443   3.267
   89    HD3  ARG  10           HD3      ARG  10  11.658   4.644   3.271
   90    HE   ARG  10           HE       ARG  10  10.609   3.859   5.332
   91   HH11  ARG  10          HH11      ARG  10  13.633   2.136   4.574
   92   HH12  ARG  10          HH12      ARG  10  13.829   1.682   6.244
   93   HH21  ARG  10          HH21      ARG  10  10.979   3.190   7.394
   94   HH22  ARG  10          HH22      ARG  10  12.392   2.248   7.773
   95    H    GLU  11           H        GLU  11   9.226   2.298   0.104
   96    HA   GLU  11           HA       GLU  11   6.317   2.505   0.760
   97    HB2  GLU  11           HB2      GLU  11   8.004   4.292  -0.978
   98    HB3  GLU  11           HB3      GLU  11   6.490   4.441  -0.918
   99    HG2  GLU  11           HG2      GLU  11   6.454   5.030   1.450
  100    HG3  GLU  11           HG3      GLU  11   7.746   4.313   1.813
  101    H    GLY  12           H        GLY  12   8.500   1.474  -1.860
  102    HA2  GLY  12           HA2      GLY  12   6.620   0.744  -3.840
  103    HA3  GLY  12           HA3      GLY  12   8.123  -0.122  -3.480
  104    H    ALA  13           H        ALA  13   7.662  -1.162  -0.938
  105    HA   ALA  13           HA       ALA  13   5.926  -3.366  -1.329
  106    HB1  ALA  13           HB1      ALA  13   7.833  -3.393   0.204
  107    HB2  ALA  13           HB2      ALA  13   7.046  -2.182   1.244
  108    HB3  ALA  13           HB3      ALA  13   6.339  -3.803   1.066
  109    H    NLE  14           H        NLE  14   5.319  -0.364   0.590
  110    HA   NLE  14           HA       NLE  14   2.693  -1.061   1.445
  111    HB2  NLE  14           HB2      NLE  14   3.995   1.642   0.976
  112    HB3  NLE  14           HB3      NLE  14   2.374   1.444   1.651
  113    HG2  NLE  14           HG2      NLE  14   3.293   0.033   3.478
  114    HG3  NLE  14           HG3      NLE  14   4.927   0.316   2.882
  115    HD2  NLE  14           HD2      NLE  14   2.996   2.466   3.870
  116    HD3  NLE  14           HD3      NLE  14   4.306   1.753   4.813
  117    HE1  NLE  14           HE1      NLE  14   5.969   2.669   3.198
  118    HE2  NLE  14           HE2      NLE  14   4.641   3.452   2.303
  119    HE3  NLE  14           HE3      NLE  14   4.993   3.930   3.971
  120    H    ASP  15           H        ASP  15   3.790   0.494  -1.574
  121    HA   ASP  15           HA       ASP  15   1.219   1.110  -2.623
  122    HB2  ASP  15           HB2      ASP  15   3.609   1.849  -3.439
  123    HB3  ASP  15           HB3      ASP  15   3.780   0.524  -4.146
  124    H    PHE  16           H        PHE  16   2.674  -2.037  -2.319
  125    HA   PHE  16           HA       PHE  16   0.427  -3.106  -3.977
  126    HB2  PHE  16           HB2      PHE  16   1.762  -4.897  -4.727
  127    HB3  PHE  16           HB3      PHE  16   2.436  -3.556  -5.151
  128    HD1  PHE  16           HD1      PHE  16   2.665  -6.037  -2.290
  129    HD2  PHE  16           HD2      PHE  16   4.754  -3.372  -4.965
  130    HE1  PHE  16           HE1      PHE  16   4.835  -6.880  -1.442
  131    HE2  PHE  16           HE2      PHE  16   6.922  -4.247  -4.139
  132    HZ   PHE  16           HZ       PHE  16   6.970  -6.004  -2.376
  133    H    TRP  17           H        TRP  17   1.790  -3.139  -0.770
  134    HA   TRP  17           HA       TRP  17   0.082  -5.293   0.185
  135    HB2  TRP  17           HB2      TRP  17   1.915  -4.172   1.568
  136    HB3  TRP  17           HB3      TRP  17   1.195  -2.818   1.554
  137    HD1  TRP  17           HD1      TRP  17  -0.361  -2.263   3.496
  138    HE1  TRP  17           HE1      TRP  17  -1.518  -3.551   5.393
  139    HE3  TRP  17           HE3      TRP  17   0.717  -7.046   2.001
  140    HZ2  TRP  17           HZ2      TRP  17  -1.955  -6.305   6.145
  141    HZ3  TRP  17           HZ3      TRP  17  -0.079  -8.985   3.336
  142    HH2  TRP  17           HH2      TRP  17  -1.385  -8.626   5.418
  143    H    SER  18           H        SER  18  -0.380  -1.722  -0.046
  144    HA   SER  18           HA       SER  18  -3.081  -1.698   0.858
  145    HB2  SER  18           HB2      SER  18  -3.013   0.651   0.062
  146    HB3  SER  18           HB3      SER  18  -1.727   0.311   0.841
  147    HG   SER  18           HG       SER  18  -0.529   0.192  -0.976
  148    H    ALA  19           H        ALA  19  -1.900  -2.760  -2.218
  149    HA   ALA  19           HA       ALA  19  -4.312  -2.390  -3.748
  150    HB1  ALA  19           HB1      ALA  19  -2.049  -2.790  -4.714
  151    HB2  ALA  19           HB2      ALA  19  -2.091  -4.451  -4.070
  152    HB3  ALA  19           HB3      ALA  19  -3.258  -3.944  -5.304
  153    H    GLY  20           H        GLY  20  -3.694  -4.522  -1.102
  154    HA2  GLY  20           HA2      GLY  20  -6.256  -5.948  -1.633
  155    HA3  GLY  20           HA3      GLY  20  -4.791  -6.918  -1.487
  156    H    ABA  21           H        ABU  21  -3.848  -4.940   0.683
  157    HA   ABA  21           HA       ABU  21  -3.590  -5.119   2.912
  158    HB3  ABA  21           HB3      ABU  21  -6.448  -4.117   2.839
  159    HB2  ABA  21           HB2      ABU  21  -5.036  -3.163   2.374
  160    HG1  ABA  21           HG1      ABU  21  -5.680  -2.663   4.679
  161    HG3  ABA  21           HG3      ABU  21  -4.083  -3.435   4.645
  162    HG2  ABA  21           HG2      ABU  21  -5.517  -4.369   5.135
  163    H    TYR  22           H        TYR  22  -3.228  -7.209   3.437
  164    HA   TYR  22           HA       TYR  22  -3.433  -9.232   4.382
  165    HB2  TYR  22           HB2      TYR  22  -6.291  -8.881   5.109
  166    HB3  TYR  22           HB3      TYR  22  -5.332  -9.997   5.651
  167    HD1  TYR  22           HD1      TYR  22  -3.206  -9.363   7.015
  168    HD2  TYR  22           HD2      TYR  22  -6.563  -6.740   6.324
  169    HE1  TYR  22           HE1      TYR  22  -2.619  -8.064   9.064
  170    HE2  TYR  22           HE2      TYR  22  -5.991  -5.458   8.379
  171    HH   TYR  22           HH       TYR  22  -4.580  -5.265  10.165
  172    H    ALA  23           H        ALA  23  -4.161  -8.570   1.531
  173    HA   ALA  23           HA       ALA  23  -5.111  -9.427  -0.342
  174    HB1  ALA  23           HB1      ALA  23  -4.644 -11.779  -0.778
  175    HB2  ALA  23           HB2      ALA  23  -3.279 -11.015   0.057
  176    HB3  ALA  23           HB3      ALA  23  -4.384 -12.079   0.954
  177    H    ARG  24           H        ARG  24  -6.959  -8.542   1.246
  178    HA   ARG  24           HA       ARG  24  -9.251 -10.465   1.444
  179    HB2  ARG  24           HB2      ARG  24  -8.105  -9.909   3.545
  180    HB3  ARG  24           HB3      ARG  24  -8.092  -8.345   3.277
  181    HG2  ARG  24           HG2      ARG  24  -9.774  -8.773   4.946
  182    HG3  ARG  24           HG3      ARG  24 -10.368  -8.030   3.757
  183    HD2  ARG  24           HD2      ARG  24 -11.220 -10.439   2.915
  184    HD3  ARG  24           HD3      ARG  24 -10.661 -11.029   4.214
  185    HE   ARG  24           HE       ARG  24 -12.445 -10.194   5.434
  186   HH11  ARG  24          HH11      ARG  24 -12.221  -8.215   2.529
  187   HH12  ARG  24          HH12      ARG  24 -13.730  -7.391   2.876
  188   HH21  ARG  24          HH21      ARG  24 -14.351  -9.060   5.801
  189   HH22  ARG  24          HH22      ARG  24 -14.854  -7.844   4.654
  190    H    GLY  25           H        GLY  25  -8.447  -8.383  -0.672
  191    HA2  GLY  25           HA2      GLY  25  -9.721  -7.214  -2.218
  192    HA3  GLY  25           HA3      GLY  25 -11.147  -7.426  -1.201
  193    H    VAL  26           H        VAL  26  -8.277  -5.968   0.176
  194    HA   VAL  26           HA       VAL  26  -8.080  -4.092   1.400
  195    HB   VAL  26           HB       VAL  26  -6.984  -3.475  -0.520
  196   HG11  VAL  26          HG11      VAL  26  -9.548  -2.377  -1.710
  197   HG12  VAL  26          HG12      VAL  26  -7.910  -2.086  -2.333
  198   HG13  VAL  26          HG13      VAL  26  -8.564  -3.724  -2.313
  199   HG21  VAL  26          HG21      VAL  26  -8.575  -1.056   0.374
  200   HG22  VAL  26          HG22      VAL  26  -7.211  -1.784   1.261
  201   HG23  VAL  26          HG23      VAL  26  -6.967  -1.075  -0.340
  202    HA   PRO  27           HA       PRO  27 -12.452  -4.110   2.666
  203    HB2  PRO  27           HB2      PRO  27 -11.394  -3.094   5.249
  204    HB3  PRO  27           HB3      PRO  27 -12.473  -4.053   5.025
  205    HG2  PRO  27           HG2      PRO  27 -10.225  -5.418   5.287
  206    HG3  PRO  27           HG3      PRO  27 -11.180  -5.886   4.209
  207    HD2  PRO  27           HD2      PRO  27  -8.719  -4.402   3.443
  208    HD3  PRO  27           HD3      PRO  27  -9.387  -5.551   2.756
  209    H    LEU  28           H        LEU  28 -10.504  -1.136   3.348
  210    HA   LEU  28           HA       LEU  28 -12.783   0.580   3.472
  211    HB2  LEU  28           HB2      LEU  28 -11.209   2.334   3.620
  212    HB3  LEU  28           HB3      LEU  28 -10.829   1.178   4.635
  213    HG   LEU  28           HG       LEU  28  -8.892   2.267   3.683
  214   HD11  LEU  28          HD11      LEU  28  -7.505   0.376   3.226
  215   HD12  LEU  28          HD12      LEU  28  -8.882  -0.629   2.775
  216   HD13  LEU  28          HD13      LEU  28  -8.686  -0.080   4.462
  217   HD21  LEU  28          HD21      LEU  28  -9.739   2.707   1.391
  218   HD22  LEU  28          HD22      LEU  28  -9.507   0.988   1.006
  219   HD23  LEU  28          HD23      LEU  28  -8.117   1.995   1.436
  220    H    SER  29           H        SER  29 -11.538  -0.851   0.714
  221    HA   SER  29           HA       SER  29 -13.115   0.964  -1.044
  222    HB2  SER  29           HB2      SER  29 -10.407  -0.124  -1.856
  223    HB3  SER  29           HB3      SER  29 -11.403   0.543  -2.835
  224    HG   SER  29           HG       SER  29  -9.892   2.032  -1.952
  225    H    GLU  30           H        GLU  30 -13.301  -1.932   0.273
  226    HA   GLU  30           HA       GLU  30 -13.603  -3.779  -1.903
  227    HB2  GLU  30           HB2      GLU  30 -13.745  -3.957   0.868
  228    HB3  GLU  30           HB3      GLU  30 -15.258  -3.970   0.588
  229    HG2  GLU  30           HG2      GLU  30 -14.644  -5.945  -1.147
  230    HG3  GLU  30           HG3      GLU  30 -13.270  -5.994  -0.493
  231    HA   PRO  31           HA       PRO  31 -17.475  -2.256  -3.626
  232    HB2  PRO  31           HB2      PRO  31 -18.404  -4.963  -4.312
  233    HB3  PRO  31           HB3      PRO  31 -18.340  -3.767  -5.161
  234    HG2  PRO  31           HG2      PRO  31 -16.169  -5.243  -5.568
  235    HG3  PRO  31           HG3      PRO  31 -16.003  -3.736  -5.574
  236    HD2  PRO  31           HD2      PRO  31 -15.097  -5.299  -3.202
  237    HD3  PRO  31           HD3      PRO  31 -14.452  -4.133  -3.879
  238    HA   PRO  32           HA       PRO  32 -20.576  -4.308  -0.413
  239    HB2  PRO  32           HB2      PRO  32 -18.836  -5.407   1.706
  240    HB3  PRO  32           HB3      PRO  32 -20.135  -5.891   1.268
  241    HG2  PRO  32           HG2      PRO  32 -18.296  -7.321   0.021
  242    HG3  PRO  32           HG3      PRO  32 -19.458  -6.882  -0.825
  243    HD2  PRO  32           HD2      PRO  32 -16.871  -5.352  -1.006
  244    HD3  PRO  32           HD3      PRO  32 -17.695  -5.907  -2.097
  245    H    GLN  33           H        GLN  33 -17.640  -2.487   0.258
  246    HA   GLN  33           HA       GLN  33 -19.065  -0.765   2.253
  247    HB2  GLN  33           HB2      GLN  33 -16.119  -1.008   1.740
  248    HB3  GLN  33           HB3      GLN  33 -16.712   0.179   2.580
  249    HG2  GLN  33           HG2      GLN  33 -16.349  -1.261   4.355
  250    HG3  GLN  33           HG3      GLN  33 -17.842  -1.429   4.190
  251   HE21  GLN  33          HE21      GLN  33 -14.848  -2.970   2.941
  252   HE22  GLN  33          HE22      GLN  33 -15.478  -4.616   2.920
  253    H    ALA  34           H        ALA  34 -18.509  -0.898  -1.034
  254    HA   ALA  34           HA       ALA  34 -18.376   0.567  -2.746
  255    HB1  ALA  34           HB1      ALA  34 -20.454   1.952  -1.016
  256    HB2  ALA  34           HB2      ALA  34 -20.308   2.057  -2.785
  257    HB3  ALA  34           HB3      ALA  34 -20.726   0.513  -2.024
  258    H    LEU  35           H        LEU  35 -16.195   1.108  -1.133
  259    HA   LEU  35           HA       LEU  35 -14.525   2.568  -0.701
  260    HB2  LEU  35           HB2      LEU  35 -15.640   4.179  -2.957
  261    HB3  LEU  35           HB3      LEU  35 -14.255   4.511  -2.271
  262    HG   LEU  35           HG       LEU  35 -13.281   2.317  -2.882
  263   HD11  LEU  35          HD11      LEU  35 -14.347   1.072  -4.788
  264   HD12  LEU  35          HD12      LEU  35 -15.848   1.981  -4.495
  265   HD13  LEU  35          HD13      LEU  35 -15.197   0.866  -3.267
  266   HD21  LEU  35          HD21      LEU  35 -12.961   2.928  -5.239
  267   HD22  LEU  35          HD22      LEU  35 -12.936   4.363  -4.208
  268   HD23  LEU  35          HD23      LEU  35 -14.385   3.991  -5.170
  269    HN1  NH2  36           H1       NHE  36 -17.221   3.059   0.753
  270    HN2  NH2  36           H2       NHE  36 -16.953   4.639   1.466
  Start of MODEL    5
    1    H1   ARG   1           H1       ARG   1   7.896  12.271  -4.427
    2    H2   ARG   1           H2       ARG   1   7.439  10.905  -3.656
    3    H3   ARG   1           H3       ARG   1   8.262  10.811  -5.066
    4    HA   ARG   1           HA       ARG   1   9.351  11.904  -2.543
    5    HB2  ARG   1           HB2      ARG   1   9.889   9.239  -3.827
    6    HB3  ARG   1           HB3      ARG   1  10.976   9.855  -2.913
    7    HG2  ARG   1           HG2      ARG   1   8.263   9.166  -1.821
    8    HG3  ARG   1           HG3      ARG   1   9.532   8.288  -1.683
    9    HD2  ARG   1           HD2      ARG   1  10.622  10.514  -0.540
   10    HD3  ARG   1           HD3      ARG   1   9.193  11.036  -0.442
   11    HE   ARG   1           HE       ARG   1   8.984   8.404   0.590
   12   HH11  ARG   1          HH11      ARG   1  10.503  11.434   1.530
   13   HH12  ARG   1          HH12      ARG   1  10.706  10.908   3.177
   14   HH21  ARG   1          HH21      ARG   1   9.487   7.744   2.579
   15   HH22  ARG   1          HH22      ARG   1  10.074   8.875   3.793
   16    H    ASP   2           H        ASP   2  10.586  13.613  -3.063
   17    HA   ASP   2           HA       ASP   2  11.926  13.938  -5.578
   18    HB2  ASP   2           HB2      ASP   2  11.261  15.792  -3.944
   19    HB3  ASP   2           HB3      ASP   2  12.279  15.367  -2.924
   20    HA   PRO   3           HA       PRO   3  16.038  12.723  -3.568
   21    HB2  PRO   3           HB2      PRO   3  16.387  11.736  -1.127
   22    HB3  PRO   3           HB3      PRO   3  16.096  13.213  -1.319
   23    HG2  PRO   3           HG2      PRO   3  13.933  11.388  -0.384
   24    HG3  PRO   3           HG3      PRO   3  14.268  12.715   0.125
   25    HD2  PRO   3           HD2      PRO   3  12.369  12.860  -1.803
   26    HD3  PRO   3           HD3      PRO   3  13.360  14.010  -1.598
   27    H    LEU   4           H        LEU   4  13.495  10.361  -2.857
   28    HA   LEU   4           HA       LEU   4  13.280   8.129  -3.099
   29    HB2  LEU   4           HB2      LEU   4  13.521   9.377  -5.604
   30    HB3  LEU   4           HB3      LEU   4  14.462   8.228  -5.843
   31    HG   LEU   4           HG       LEU   4  11.610   7.808  -4.827
   32   HD11  LEU   4          HD11      LEU   4  11.719   8.697  -7.123
   33   HD12  LEU   4          HD12      LEU   4  11.137   7.025  -7.110
   34   HD13  LEU   4          HD13      LEU   4  12.813   7.376  -7.591
   35   HD21  LEU   4          HD21      LEU   4  11.878   5.440  -5.439
   36   HD22  LEU   4          HD22      LEU   4  13.021   5.894  -4.171
   37   HD23  LEU   4          HD23      LEU   4  13.586   5.728  -5.846
   38    H    LEU   5           H        LEU   5  15.695   8.591  -1.688
   39    HA   LEU   5           HA       LEU   5  17.848   6.978  -2.742
   40    HB2  LEU   5           HB2      LEU   5  17.482   7.969   0.075
   41    HB3  LEU   5           HB3      LEU   5  18.779   7.275  -0.400
   42    HG   LEU   5           HG       LEU   5  17.804   9.827  -1.750
   43   HD11  LEU   5          HD11      LEU   5  18.389  10.196   0.612
   44   HD12  LEU   5          HD12      LEU   5  19.576  10.941  -0.468
   45   HD13  LEU   5          HD13      LEU   5  19.965   9.411   0.353
   46   HD21  LEU   5          HD21      LEU   5  19.286   8.555  -3.233
   47   HD22  LEU   5          HD22      LEU   5  20.465   8.346  -1.916
   48   HD23  LEU   5          HD23      LEU   5  20.141   9.957  -2.593
   49    H    ASP   6           H        ASP   6  15.147   6.157  -0.640
   50    HA   ASP   6           HA       ASP   6  15.923   3.288  -0.827
   51    HB2  ASP   6           HB2      ASP   6  16.650   4.516   1.443
   52    HB3  ASP   6           HB3      ASP   6  15.187   4.592   1.822
   53    H    ALA   7           H        ALA   7  13.457   5.548  -1.128
   54    HA   ALA   7           HA       ALA   7  11.208   4.338   0.029
   55    HB1  ALA   7           HB1      ALA   7   9.931   5.751  -1.522
   56    HB2  ALA   7           HB2      ALA   7  11.284   6.641  -0.803
   57    HB3  ALA   7           HB3      ALA   7  11.390   6.053  -2.481
   58    H    NLE   8           H        NLE   8  12.751   3.571  -3.078
   59    HA   NLE   8           HA       NLE   8  10.688   2.122  -4.273
   60    HB2  NLE   8           HB2      NLE   8  12.212   1.317  -5.812
   61    HB3  NLE   8           HB3      NLE   8  12.826   2.888  -5.358
   62    HG2  NLE   8           HG2      NLE   8  13.880   0.169  -4.433
   63    HG3  NLE   8           HG3      NLE   8  14.591   1.187  -5.665
   64    HD2  NLE   8           HD2      NLE   8  14.439   1.877  -2.700
   65    HD3  NLE   8           HD3      NLE   8  15.844   1.265  -3.566
   66    HE1  NLE   8           HE1      NLE   8  15.804   3.303  -5.033
   67    HE2  NLE   8           HE2      NLE   8  14.493   3.953  -4.023
   68    HE3  NLE   8           HE3      NLE   8  16.089   3.652  -3.320
   69    H    ARG   9           H        ARG   9  12.645   1.081  -1.590
   70    HA   ARG   9           HA       ARG   9  11.761  -1.765  -1.824
   71    HB2  ARG   9           HB2      ARG   9  13.331  -0.606   0.457
   72    HB3  ARG   9           HB3      ARG   9  13.028  -2.108   0.242
   73    HG2  ARG   9           HG2      ARG   9  14.355  -1.824  -2.068
   74    HG3  ARG   9           HG3      ARG   9  14.787  -0.443  -1.605
   75    HD2  ARG   9           HD2      ARG   9  15.620  -2.930  -0.107
   76    HD3  ARG   9           HD3      ARG   9  16.533  -2.012  -0.943
   77    HE   ARG   9           HE       ARG   9  16.038  -0.104   0.692
   78   HH11  ARG   9          HH11      ARG   9  15.898  -3.428   1.833
   79   HH12  ARG   9          HH12      ARG   9  16.026  -2.925   3.496
   80   HH21  ARG   9          HH21      ARG   9  16.069   0.447   2.730
   81   HH22  ARG   9          HH22      ARG   9  16.167  -0.761   4.003
   82    H    ARG  10           H        ARG  10  11.610   0.733   0.706
   83    HA   ARG  10           HA       ARG  10   9.644  -0.718   2.216
   84    HB2  ARG  10           HB2      ARG  10  10.039   1.027   3.831
   85    HB3  ARG  10           HB3      ARG  10  11.400   0.578   3.233
   86    HG2  ARG  10           HG2      ARG  10  10.807   2.785   1.598
   87    HG3  ARG  10           HG3      ARG  10  10.009   3.216   2.802
   88    HD2  ARG  10           HD2      ARG  10  12.980   2.662   3.004
   89    HD3  ARG  10           HD3      ARG  10  12.338   4.062   2.951
   90    HE   ARG  10           HE       ARG  10  11.024   3.267   5.118
   91   HH11  ARG  10          HH11      ARG  10  14.419   2.552   4.375
   92   HH12  ARG  10          HH12      ARG  10  14.821   2.486   6.071
   93   HH21  ARG  10          HH21      ARG  10  11.655   3.113   7.229
   94   HH22  ARG  10          HH22      ARG  10  13.314   2.777   7.626
   95    H    GLU  11           H        GLU  11   9.274   2.323   0.368
   96    HA   GLU  11           HA       GLU  11   6.360   2.373   0.888
   97    HB2  GLU  11           HB2      GLU  11   8.035   4.246  -0.773
   98    HB3  GLU  11           HB3      GLU  11   6.522   4.382  -0.698
   99    HG2  GLU  11           HG2      GLU  11   6.499   4.830   1.713
  100    HG3  GLU  11           HG3      GLU  11   7.825   4.146   2.013
  101    H    GLY  12           H        GLY  12   8.588   1.441  -1.717
  102    HA2  GLY  12           HA2      GLY  12   6.740   0.785  -3.760
  103    HA3  GLY  12           HA3      GLY  12   8.258  -0.063  -3.432
  104    H    ALA  13           H        ALA  13   7.798  -1.265  -0.954
  105    HA   ALA  13           HA       ALA  13   6.056  -3.451  -1.513
  106    HB1  ALA  13           HB1      ALA  13   7.998  -3.623  -0.034
  107    HB2  ALA  13           HB2      ALA  13   7.245  -2.503   1.126
  108    HB3  ALA  13           HB3      ALA  13   6.519  -4.096   0.821
  109    H    NLE  14           H        NLE  14   5.541  -0.622   0.677
  110    HA   NLE  14           HA       NLE  14   2.941  -1.350   1.537
  111    HB2  NLE  14           HB2      NLE  14   4.252   1.366   1.241
  112    HB3  NLE  14           HB3      NLE  14   2.643   1.137   1.938
  113    HG2  NLE  14           HG2      NLE  14   3.571  -0.424   3.626
  114    HG3  NLE  14           HG3      NLE  14   5.196  -0.143   3.011
  115    HD2  NLE  14           HD2      NLE  14   3.364   1.972   4.229
  116    HD3  NLE  14           HD3      NLE  14   4.688   1.151   5.059
  117    HE1  NLE  14           HE1      NLE  14   6.306   2.141   3.426
  118    HE2  NLE  14           HE2      NLE  14   4.960   3.053   2.693
  119    HE3  NLE  14           HE3      NLE  14   5.428   3.356   4.372
  120    H    ASP  15           H        ASP  15   3.914   0.370  -1.434
  121    HA   ASP  15           HA       ASP  15   1.316   1.072  -2.340
  122    HB2  ASP  15           HB2      ASP  15   3.672   1.794  -3.242
  123    HB3  ASP  15           HB3      ASP  15   3.800   0.483  -3.985
  124    H    PHE  16           H        PHE  16   2.710  -2.119  -2.234
  125    HA   PHE  16           HA       PHE  16   0.379  -3.078  -3.849
  126    HB2  PHE  16           HB2      PHE  16   1.650  -4.856  -4.715
  127    HB3  PHE  16           HB3      PHE  16   2.348  -3.518  -5.102
  128    HD1  PHE  16           HD1      PHE  16   2.590  -6.155  -2.394
  129    HD2  PHE  16           HD2      PHE  16   4.677  -3.368  -4.943
  130    HE1  PHE  16           HE1      PHE  16   4.760  -7.091  -1.648
  131    HE2  PHE  16           HE2      PHE  16   6.843  -4.337  -4.224
  132    HZ   PHE  16           HZ       PHE  16   6.892  -6.198  -2.572
  133    H    TRP  17           H        TRP  17   1.896  -3.274  -0.711
  134    HA   TRP  17           HA       TRP  17   0.193  -5.418   0.276
  135    HB2  TRP  17           HB2      TRP  17   2.083  -4.418   1.613
  136    HB3  TRP  17           HB3      TRP  17   1.463  -2.999   1.595
  137    HD1  TRP  17           HD1      TRP  17   0.029  -2.271   3.553
  138    HE1  TRP  17           HE1      TRP  17  -1.140  -3.399   5.539
  139    HE3  TRP  17           HE3      TRP  17   0.732  -7.176   2.232
  140    HZ2  TRP  17           HZ2      TRP  17  -1.660  -6.079   6.466
  141    HZ3  TRP  17           HZ3      TRP  17  -0.095  -8.999   3.706
  142    HH2  TRP  17           HH2      TRP  17  -1.253  -8.464   5.837
  143    H    SER  18           H        SER  18  -0.210  -1.831   0.193
  144    HA   SER  18           HA       SER  18  -2.848  -1.800   1.251
  145    HB2  SER  18           HB2      SER  18  -2.797   0.575   0.526
  146    HB3  SER  18           HB3      SER  18  -1.476   0.192   1.224
  147    HG   SER  18           HG       SER  18  -0.379   0.130  -0.656
  148    H    ALA  19           H        ALA  19  -1.842  -2.615  -1.988
  149    HA   ALA  19           HA       ALA  19  -4.338  -2.189  -3.332
  150    HB1  ALA  19           HB1      ALA  19  -2.138  -2.459  -4.454
  151    HB2  ALA  19           HB2      ALA  19  -2.101  -4.166  -3.946
  152    HB3  ALA  19           HB3      ALA  19  -3.349  -3.599  -5.068
  153    H    GLY  20           H        GLY  20  -3.547  -4.535  -0.936
  154    HA2  GLY  20           HA2      GLY  20  -6.084  -6.027  -1.506
  155    HA3  GLY  20           HA3      GLY  20  -4.571  -6.907  -1.294
  156    H    ABA  21           H        ABU  21  -3.791  -4.888   0.850
  157    HA   ABA  21           HA       ABU  21  -3.585  -4.959   3.080
  158    HB3  ABA  21           HB3      ABU  21  -6.465  -4.038   2.895
  159    HB2  ABA  21           HB2      ABU  21  -5.067  -3.074   2.398
  160    HG1  ABA  21           HG1      ABU  21  -5.749  -2.447   4.653
  161    HG3  ABA  21           HG3      ABU  21  -4.148  -3.214   4.707
  162    HG2  ABA  21           HG2      ABU  21  -5.593  -4.120   5.210
  163    H    TYR  22           H        TYR  22  -3.192  -6.838   4.048
  164    HA   TYR  22           HA       TYR  22  -3.392  -8.818   5.074
  165    HB2  TYR  22           HB2      TYR  22  -6.252  -8.435   5.759
  166    HB3  TYR  22           HB3      TYR  22  -5.240  -9.388   6.469
  167    HD1  TYR  22           HD1      TYR  22  -3.226  -8.456   7.784
  168    HD2  TYR  22           HD2      TYR  22  -6.560  -6.058   6.465
  169    HE1  TYR  22           HE1      TYR  22  -2.683  -6.742   9.516
  170    HE2  TYR  22           HE2      TYR  22  -6.017  -4.348   8.191
  171    HH   TYR  22           HH       TYR  22  -4.631  -3.757   9.917
  172    H    ALA  23           H        ALA  23  -4.040  -8.513   2.176
  173    HA   ALA  23           HA       ALA  23  -4.948  -9.562   0.387
  174    HB1  ALA  23           HB1      ALA  23  -4.485 -11.955   0.241
  175    HB2  ALA  23           HB2      ALA  23  -3.144 -11.105   1.030
  176    HB3  ALA  23           HB3      ALA  23  -4.291 -12.054   2.005
  177    H    ARG  24           H        ARG  24  -6.863  -8.516   1.895
  178    HA   ARG  24           HA       ARG  24  -9.165 -10.434   2.037
  179    HB2  ARG  24           HB2      ARG  24  -8.190  -9.796   4.196
  180    HB3  ARG  24           HB3      ARG  24  -8.179  -8.247   3.894
  181    HG2  ARG  24           HG2      ARG  24 -10.003  -8.652   5.413
  182    HG3  ARG  24           HG3      ARG  24 -10.502  -7.956   4.152
  183    HD2  ARG  24           HD2      ARG  24 -11.241 -10.405   3.324
  184    HD3  ARG  24           HD3      ARG  24 -10.802 -10.938   4.693
  185    HE   ARG  24           HE       ARG  24 -12.710 -10.090   5.700
  186   HH11  ARG  24          HH11      ARG  24 -12.245  -8.237   2.745
  187   HH12  ARG  24          HH12      ARG  24 -13.798  -7.443   2.897
  188   HH21  ARG  24          HH21      ARG  24 -14.660  -8.972   5.839
  189   HH22  ARG  24          HH22      ARG  24 -15.069  -7.820   4.593
  190    H    GLY  25           H        GLY  25  -8.184  -8.386  -0.066
  191    HA2  GLY  25           HA2      GLY  25  -9.389  -7.464  -1.819
  192    HA3  GLY  25           HA3      GLY  25 -10.887  -7.672  -0.910
  193    H    VAL  26           H        VAL  26  -8.152  -5.914   0.432
  194    HA   VAL  26           HA       VAL  26  -8.070  -3.886   1.420
  195    HB   VAL  26           HB       VAL  26  -7.021  -3.466  -0.606
  196   HG11  VAL  26          HG11      VAL  26  -9.639  -2.531  -1.826
  197   HG12  VAL  26          HG12      VAL  26  -8.023  -2.304  -2.521
  198   HG13  VAL  26          HG13      VAL  26  -8.666  -3.932  -2.315
  199   HG21  VAL  26          HG21      VAL  26  -8.678  -1.028   0.111
  200   HG22  VAL  26          HG22      VAL  26  -7.250  -1.616   1.002
  201   HG23  VAL  26          HG23      VAL  26  -7.096  -1.057  -0.669
  202    HA   PRO  27           HA       PRO  27 -12.505  -4.112   2.519
  203    HB2  PRO  27           HB2      PRO  27 -11.591  -2.979   5.111
  204    HB3  PRO  27           HB3      PRO  27 -12.626  -3.984   4.878
  205    HG2  PRO  27           HG2      PRO  27 -10.345  -5.263   5.271
  206    HG3  PRO  27           HG3      PRO  27 -11.234  -5.789   4.163
  207    HD2  PRO  27           HD2      PRO  27  -8.796  -4.231   3.467
  208    HD3  PRO  27           HD3      PRO  27  -9.386  -5.431   2.793
  209    H    LEU  28           H        LEU  28 -10.668  -1.070   3.158
  210    HA   LEU  28           HA       LEU  28 -12.978   0.596   3.208
  211    HB2  LEU  28           HB2      LEU  28 -11.442   2.385   3.290
  212    HB3  LEU  28           HB3      LEU  28 -11.032   1.276   4.344
  213    HG   LEU  28           HG       LEU  28  -9.120   2.370   3.346
  214   HD11  LEU  28          HD11      LEU  28  -7.693   0.507   2.972
  215   HD12  LEU  28          HD12      LEU  28  -9.034  -0.545   2.510
  216   HD13  LEU  28          HD13      LEU  28  -8.884   0.034   4.192
  217   HD21  LEU  28          HD21      LEU  28  -9.999   2.714   1.047
  218   HD22  LEU  28          HD22      LEU  28  -9.721   0.990   0.718
  219   HD23  LEU  28          HD23      LEU  28  -8.358   2.049   1.102
  220    H    SER  29           H        SER  29 -11.666  -0.885   0.489
  221    HA   SER  29           HA       SER  29 -13.307   0.829  -1.317
  222    HB2  SER  29           HB2      SER  29 -10.573  -0.212  -2.105
  223    HB3  SER  29           HB3      SER  29 -11.594   0.387  -3.104
  224    HG   SER  29           HG       SER  29 -10.138   1.959  -2.299
  225    H    GLU  30           H        GLU  30 -13.223  -2.120   0.045
  226    HA   GLU  30           HA       GLU  30 -13.633  -3.952  -2.117
  227    HB2  GLU  30           HB2      GLU  30 -13.385  -4.258   0.563
  228    HB3  GLU  30           HB3      GLU  30 -14.915  -4.096   0.603
  229    HG2  GLU  30           HG2      GLU  30 -14.874  -6.082  -1.236
  230    HG3  GLU  30           HG3      GLU  30 -13.414  -6.293  -0.849
  231    HA   PRO  31           HA       PRO  31 -17.595  -2.552  -3.631
  232    HB2  PRO  31           HB2      PRO  31 -18.495  -5.320  -4.158
  233    HB3  PRO  31           HB3      PRO  31 -18.573  -4.151  -5.035
  234    HG2  PRO  31           HG2      PRO  31 -16.348  -5.475  -5.603
  235    HG3  PRO  31           HG3      PRO  31 -16.268  -3.965  -5.613
  236    HD2  PRO  31           HD2      PRO  31 -15.102  -5.479  -3.329
  237    HD3  PRO  31           HD3      PRO  31 -14.590  -4.256  -4.030
  238    HA   PRO  32           HA       PRO  32 -20.688  -4.470  -0.409
  239    HB2  PRO  32           HB2      PRO  32 -19.120  -5.563   1.817
  240    HB3  PRO  32           HB3      PRO  32 -20.361  -6.078   1.245
  241    HG2  PRO  32           HG2      PRO  32 -18.338  -7.461   0.232
  242    HG3  PRO  32           HG3      PRO  32 -19.444  -7.100  -0.722
  243    HD2  PRO  32           HD2      PRO  32 -16.921  -5.455  -0.731
  244    HD3  PRO  32           HD3      PRO  32 -17.615  -6.081  -1.870
  245    H    GLN  33           H        GLN  33 -17.734  -2.713   0.331
  246    HA   GLN  33           HA       GLN  33 -19.154  -0.935   2.274
  247    HB2  GLN  33           HB2      GLN  33 -16.222  -1.121   1.673
  248    HB3  GLN  33           HB3      GLN  33 -16.818   0.049   2.529
  249    HG2  GLN  33           HG2      GLN  33 -16.363  -1.391   4.293
  250    HG3  GLN  33           HG3      GLN  33 -17.863  -1.567   4.178
  251   HE21  GLN  33          HE21      GLN  33 -14.924  -3.088   2.778
  252   HE22  GLN  33          HE22      GLN  33 -15.534  -4.740   2.809
  253    H    ALA  34           H        ALA  34 -18.759  -1.151  -1.013
  254    HA   ALA  34           HA       ALA  34 -18.729   0.256  -2.776
  255    HB1  ALA  34           HB1      ALA  34 -20.711   1.686  -0.971
  256    HB2  ALA  34           HB2      ALA  34 -20.673   1.729  -2.748
  257    HB3  ALA  34           HB3      ALA  34 -21.029   0.209  -1.911
  258    H    LEU  35           H        LEU  35 -16.464   0.879  -1.276
  259    HA   LEU  35           HA       LEU  35 -14.794   2.371  -0.995
  260    HB2  LEU  35           HB2      LEU  35 -16.011   3.871  -3.273
  261    HB3  LEU  35           HB3      LEU  35 -14.587   4.215  -2.670
  262    HG   LEU  35           HG       LEU  35 -13.680   1.974  -3.237
  263   HD11  LEU  35          HD11      LEU  35 -14.861   0.692  -5.052
  264   HD12  LEU  35          HD12      LEU  35 -16.326   1.640  -4.717
  265   HD13  LEU  35          HD13      LEU  35 -15.637   0.550  -3.487
  266   HD21  LEU  35          HD21      LEU  35 -13.456   2.489  -5.628
  267   HD22  LEU  35          HD22      LEU  35 -13.352   3.961  -4.655
  268   HD23  LEU  35          HD23      LEU  35 -14.851   3.590  -5.536
  269    HN1  NH2  36           H1       NHE  36 -17.406   2.899   0.565
  270    HN2  NH2  36           H2       NHE  36 -17.140   4.523   1.175
  Start of MODEL    6
    1    H1   ARG   1           H1       ARG   1   7.333  11.681  -4.793
    2    H2   ARG   1           H2       ARG   1   7.105  10.259  -4.014
    3    H3   ARG   1           H3       ARG   1   7.841  10.290  -5.479
    4    HA   ARG   1           HA       ARG   1   8.931  11.495  -3.022
    5    HB2  ARG   1           HB2      ARG   1   9.755   8.935  -4.374
    6    HB3  ARG   1           HB3      ARG   1  10.791   9.669  -3.501
    7    HG2  ARG   1           HG2      ARG   1   8.260   8.591  -2.298
    8    HG3  ARG   1           HG3      ARG   1   9.662   7.943  -2.194
    9    HD2  ARG   1           HD2      ARG   1  10.429  10.278  -1.079
   10    HD3  ARG   1           HD3      ARG   1   8.949  10.649  -1.005
   11    HE   ARG   1           HE       ARG   1   8.984   8.059   0.117
   12   HH11  ARG   1          HH11      ARG   1  10.216  11.246   0.953
   13   HH12  ARG   1          HH12      ARG   1  10.437  10.805   2.624
   14   HH21  ARG   1          HH21      ARG   1   9.503   7.526   2.144
   15   HH22  ARG   1          HH22      ARG   1   9.975   8.753   3.313
   16    H    ASP   2           H        ASP   2  11.188  12.138  -3.200
   17    HA   ASP   2           HA       ASP   2  12.015  13.025  -5.927
   18    HB2  ASP   2           HB2      ASP   2  11.002  14.893  -4.495
   19    HB3  ASP   2           HB3      ASP   2  12.003  14.681  -3.390
   20    HA   PRO   3           HA       PRO   3  16.101  12.312  -3.622
   21    HB2  PRO   3           HB2      PRO   3  16.354  11.417  -1.125
   22    HB3  PRO   3           HB3      PRO   3  16.071  12.881  -1.400
   23    HG2  PRO   3           HG2      PRO   3  13.871  11.093  -0.480
   24    HG3  PRO   3           HG3      PRO   3  14.176  12.446  -0.023
   25    HD2  PRO   3           HD2      PRO   3  12.366  12.496  -2.024
   26    HD3  PRO   3           HD3      PRO   3  13.358  13.650  -1.872
   27    H    LEU   4           H        LEU   4  13.584   9.916  -2.979
   28    HA   LEU   4           HA       LEU   4  13.396   7.684  -3.268
   29    HB2  LEU   4           HB2      LEU   4  13.699   9.029  -5.714
   30    HB3  LEU   4           HB3      LEU   4  14.648   7.895  -5.976
   31    HG   LEU   4           HG       LEU   4  11.782   7.402  -5.029
   32   HD11  LEU   4          HD11      LEU   4  11.890   8.439  -7.261
   33   HD12  LEU   4          HD12      LEU   4  11.331   6.762  -7.361
   34   HD13  LEU   4          HD13      LEU   4  13.004   7.167  -7.808
   35   HD21  LEU   4          HD21      LEU   4  12.083   5.081  -5.795
   36   HD22  LEU   4          HD22      LEU   4  13.216   5.466  -4.494
   37   HD23  LEU   4          HD23      LEU   4  13.789   5.417  -6.174
   38    H    LEU   5           H        LEU   5  15.754   8.084  -1.770
   39    HA   LEU   5           HA       LEU   5  17.980   6.587  -2.803
   40    HB2  LEU   5           HB2      LEU   5  17.434   7.242   0.080
   41    HB3  LEU   5           HB3      LEU   5  18.785   6.689  -0.424
   42    HG   LEU   5           HG       LEU   5  17.686   9.341  -1.447
   43   HD11  LEU   5          HD11      LEU   5  18.238   9.400   0.951
   44   HD12  LEU   5          HD12      LEU   5  19.382  10.360   0.001
   45   HD13  LEU   5          HD13      LEU   5  19.858   8.755   0.602
   46   HD21  LEU   5          HD21      LEU   5  19.241   8.375  -3.076
   47   HD22  LEU   5          HD22      LEU   5  20.425   8.042  -1.789
   48   HD23  LEU   5          HD23      LEU   5  20.017   9.715  -2.233
   49    H    ASP   6           H        ASP   6  15.237   5.562  -0.816
   50    HA   ASP   6           HA       ASP   6  15.936   2.727  -1.371
   51    HB2  ASP   6           HB2      ASP   6  16.741   3.637   1.022
   52    HB3  ASP   6           HB3      ASP   6  15.285   3.682   1.442
   53    H    ALA   7           H        ALA   7  13.579   5.021  -1.540
   54    HA   ALA   7           HA       ALA   7  11.266   3.899  -0.419
   55    HB1  ALA   7           HB1      ALA   7  10.057   5.382  -1.941
   56    HB2  ALA   7           HB2      ALA   7  11.452   6.207  -1.224
   57    HB3  ALA   7           HB3      ALA   7  11.522   5.630  -2.907
   58    H    NLE   8           H        NLE   8  12.794   3.131  -3.533
   59    HA   NLE   8           HA       NLE   8  10.706   1.733  -4.747
   60    HB2  NLE   8           HB2      NLE   8  12.219   0.921  -6.290
   61    HB3  NLE   8           HB3      NLE   8  12.864   2.473  -5.816
   62    HG2  NLE   8           HG2      NLE   8  13.860  -0.278  -4.925
   63    HG3  NLE   8           HG3      NLE   8  14.596   0.742  -6.140
   64    HD2  NLE   8           HD2      NLE   8  14.449   1.392  -3.166
   65    HD3  NLE   8           HD3      NLE   8  15.843   0.761  -4.034
   66    HE1  NLE   8           HE1      NLE   8  15.861   2.819  -5.471
   67    HE2  NLE   8           HE2      NLE   8  14.557   3.486  -4.463
   68    HE3  NLE   8           HE3      NLE   8  16.140   3.143  -3.751
   69    H    ARG   9           H        ARG   9  12.640   0.633  -2.070
   70    HA   ARG   9           HA       ARG   9  11.616  -2.177  -2.314
   71    HB2  ARG   9           HB2      ARG   9  13.401  -1.158  -0.129
   72    HB3  ARG   9           HB3      ARG   9  12.982  -2.635  -0.337
   73    HG2  ARG   9           HG2      ARG   9  14.188  -2.398  -2.727
   74    HG3  ARG   9           HG3      ARG   9  14.753  -1.070  -2.254
   75    HD2  ARG   9           HD2      ARG   9  15.470  -3.662  -0.879
   76    HD3  ARG   9           HD3      ARG   9  16.407  -2.775  -1.713
   77    HE   ARG   9           HE       ARG   9  16.020  -0.892   0.032
   78   HH11  ARG   9          HH11      ARG   9  16.077  -4.284   0.950
   79   HH12  ARG   9          HH12      ARG   9  16.311  -3.891   2.631
   80   HH21  ARG   9          HH21      ARG   9  16.134  -0.478   2.131
   81   HH22  ARG   9          HH22      ARG   9  16.407  -1.771   3.284
   82    H    ARG  10           H        ARG  10  11.800   0.284   0.259
   83    HA   ARG  10           HA       ARG  10   9.909  -1.070   1.910
   84    HB2  ARG  10           HB2      ARG  10  10.434   0.692   3.458
   85    HB3  ARG  10           HB3      ARG  10  11.746   0.265   2.755
   86    HG2  ARG  10           HG2      ARG  10  10.985   2.420   1.137
   87    HG3  ARG  10           HG3      ARG  10  10.259   2.859   2.387
   88    HD2  ARG  10           HD2      ARG  10  13.252   2.408   2.380
   89    HD3  ARG  10           HD3      ARG  10  12.552   3.783   2.354
   90    HE   ARG  10           HE       ARG  10  11.503   3.206   4.614
   91   HH11  ARG  10          HH11      ARG  10  14.620   1.754   3.696
   92   HH12  ARG  10          HH12      ARG  10  15.096   1.644   5.368
   93   HH21  ARG  10          HH21      ARG  10  12.227   2.977   6.677
   94   HH22  ARG  10          HH22      ARG  10  13.794   2.294   6.989
   95    H    GLU  11           H        GLU  11   9.420   1.907  -0.008
   96    HA   GLU  11           HA       GLU  11   6.543   1.977   0.704
   97    HB2  GLU  11           HB2      GLU  11   8.121   3.840  -1.061
   98    HB3  GLU  11           HB3      GLU  11   6.612   3.974  -0.905
   99    HG2  GLU  11           HG2      GLU  11   6.733   4.404   1.518
  100    HG3  GLU  11           HG3      GLU  11   8.106   3.775   1.715
  101    H    GLY  12           H        GLY  12   8.609   1.064  -2.045
  102    HA2  GLY  12           HA2      GLY  12   6.663   0.471  -3.999
  103    HA3  GLY  12           HA3      GLY  12   8.178  -0.411  -3.761
  104    H    ALA  13           H        ALA  13   7.811  -1.671  -1.305
  105    HA   ALA  13           HA       ALA  13   6.013  -3.819  -1.852
  106    HB1  ALA  13           HB1      ALA  13   8.036  -4.056  -0.489
  107    HB2  ALA  13           HB2      ALA  13   7.361  -2.972   0.748
  108    HB3  ALA  13           HB3      ALA  13   6.604  -4.549   0.430
  109    H    NLE  14           H        NLE  14   5.668  -1.059   0.453
  110    HA   NLE  14           HA       NLE  14   3.118  -1.797   1.454
  111    HB2  NLE  14           HB2      NLE  14   4.460   0.909   1.197
  112    HB3  NLE  14           HB3      NLE  14   2.890   0.678   1.977
  113    HG2  NLE  14           HG2      NLE  14   3.889  -0.979   3.534
  114    HG3  NLE  14           HG3      NLE  14   5.480  -0.680   2.846
  115    HD2  NLE  14           HD2      NLE  14   3.730   1.383   4.261
  116    HD3  NLE  14           HD3      NLE  14   5.096   0.523   4.977
  117    HE1  NLE  14           HE1      NLE  14   6.632   1.596   3.328
  118    HE2  NLE  14           HE2      NLE  14   5.256   2.525   2.681
  119    HE3  NLE  14           HE3      NLE  14   5.787   2.769   4.351
  120    H    ASP  15           H        ASP  15   3.937   0.022  -1.505
  121    HA   ASP  15           HA       ASP  15   1.308   0.826  -2.209
  122    HB2  ASP  15           HB2      ASP  15   3.610   1.507  -3.260
  123    HB3  ASP  15           HB3      ASP  15   3.656   0.207  -4.033
  124    H    PHE  16           H        PHE  16   2.667  -2.399  -2.377
  125    HA   PHE  16           HA       PHE  16   0.205  -3.260  -3.843
  126    HB2  PHE  16           HB2      PHE  16   1.392  -5.040  -4.826
  127    HB3  PHE  16           HB3      PHE  16   2.059  -3.689  -5.237
  128    HD1  PHE  16           HD1      PHE  16   2.510  -6.375  -2.599
  129    HD2  PHE  16           HD2      PHE  16   4.387  -3.552  -5.274
  130    HE1  PHE  16           HE1      PHE  16   4.734  -7.334  -2.059
  131    HE2  PHE  16           HE2      PHE  16   6.604  -4.537  -4.758
  132    HZ   PHE  16           HZ       PHE  16   6.784  -6.432  -3.149
  133    H    TRP  17           H        TRP  17   1.832  -3.532  -0.790
  134    HA   TRP  17           HA       TRP  17   0.114  -5.678   0.202
  135    HB2  TRP  17           HB2      TRP  17   2.093  -4.777   1.498
  136    HB3  TRP  17           HB3      TRP  17   1.514  -3.348   1.551
  137    HD1  TRP  17           HD1      TRP  17   0.232  -2.659   3.621
  138    HE1  TRP  17           HE1      TRP  17  -0.932  -3.829   5.586
  139    HE3  TRP  17           HE3      TRP  17   0.599  -7.514   2.010
  140    HZ2  TRP  17           HZ2      TRP  17  -1.593  -6.523   6.375
  141    HZ3  TRP  17           HZ3      TRP  17  -0.295  -9.366   3.405
  142    HH2  TRP  17           HH2      TRP  17  -1.360  -8.886   5.598
  143    H    SER  18           H        SER  18  -0.148  -2.077   0.310
  144    HA   SER  18           HA       SER  18  -2.751  -2.021   1.455
  145    HB2  SER  18           HB2      SER  18  -2.603   0.403   0.946
  146    HB3  SER  18           HB3      SER  18  -1.274  -0.101   1.551
  147    HG   SER  18           HG       SER  18  -0.266  -0.061  -0.390
  148    H    ALA  19           H        ALA  19  -1.876  -2.638  -1.851
  149    HA   ALA  19           HA       ALA  19  -4.334  -2.004  -3.148
  150    HB1  ALA  19           HB1      ALA  19  -2.191  -2.473  -4.300
  151    HB2  ALA  19           HB2      ALA  19  -2.292  -4.176  -3.787
  152    HB3  ALA  19           HB3      ALA  19  -3.500  -3.508  -4.899
  153    H    GLY  20           H        GLY  20  -3.657  -4.535  -0.870
  154    HA2  GLY  20           HA2      GLY  20  -6.403  -5.667  -1.298
  155    HA3  GLY  20           HA3      GLY  20  -5.005  -6.734  -1.159
  156    H    ABA  21           H        ABU  21  -3.863  -4.820   0.930
  157    HA   ABA  21           HA       ABU  21  -3.557  -4.898   3.146
  158    HB3  ABA  21           HB3      ABU  21  -6.361  -3.758   3.125
  159    HB2  ABA  21           HB2      ABU  21  -4.920  -2.893   2.582
  160    HG1  ABA  21           HG1      ABU  21  -5.457  -2.271   4.882
  161    HG3  ABA  21           HG3      ABU  21  -3.909  -3.139   4.837
  162    HG2  ABA  21           HG2      ABU  21  -5.383  -3.965   5.399
  163    H    TYR  22           H        TYR  22  -3.264  -6.935   3.852
  164    HA   TYR  22           HA       TYR  22  -3.564  -8.933   4.817
  165    HB2  TYR  22           HB2      TYR  22  -6.346  -8.371   5.688
  166    HB3  TYR  22           HB3      TYR  22  -5.410  -9.500   6.237
  167    HD1  TYR  22           HD1      TYR  22  -3.253  -8.956   7.514
  168    HD2  TYR  22           HD2      TYR  22  -6.355  -6.068   6.683
  169    HE1  TYR  22           HE1      TYR  22  -2.453  -7.540   9.411
  170    HE2  TYR  22           HE2      TYR  22  -5.559  -4.660   8.579
  171    HH   TYR  22           HH       TYR  22  -4.052  -4.453  10.295
  172    H    ALA  23           H        ALA  23  -4.333  -8.346   1.988
  173    HA   ALA  23           HA       ALA  23  -5.396  -9.203   0.176
  174    HB1  ALA  23           HB1      ALA  23  -5.087 -11.598  -0.165
  175    HB2  ALA  23           HB2      ALA  23  -3.659 -10.889   0.611
  176    HB3  ALA  23           HB3      ALA  23  -4.813 -11.840   1.574
  177    H    ARG  24           H        ARG  24  -7.154  -8.156   1.825
  178    HA   ARG  24           HA       ARG  24  -9.549  -9.943   2.089
  179    HB2  ARG  24           HB2      ARG  24  -8.387  -9.341   4.167
  180    HB3  ARG  24           HB3      ARG  24  -8.299  -7.792   3.824
  181    HG2  ARG  24           HG2      ARG  24 -10.015  -8.004   5.477
  182    HG3  ARG  24           HG3      ARG  24 -10.593  -7.368   4.224
  183    HD2  ARG  24           HD2      ARG  24 -11.491  -9.827   3.608
  184    HD3  ARG  24           HD3      ARG  24 -10.942 -10.306   4.957
  185    HE   ARG  24           HE       ARG  24 -12.706  -9.327   6.100
  186   HH11  ARG  24          HH11      ARG  24 -12.488  -7.682   2.995
  187   HH12  ARG  24          HH12      ARG  24 -13.977  -6.800   3.263
  188   HH21  ARG  24          HH21      ARG  24 -14.584  -8.111   6.368
  189   HH22  ARG  24          HH22      ARG  24 -15.083  -7.027   5.094
  190    H    GLY  25           H        GLY  25  -8.540  -7.746   0.019
  191    HA2  GLY  25           HA2      GLY  25  -9.744  -6.580  -1.593
  192    HA3  GLY  25           HA3      GLY  25 -11.233  -6.830  -0.678
  193    H    VAL  26           H        VAL  26  -8.457  -5.430   0.921
  194    HA   VAL  26           HA       VAL  26  -8.308  -3.569   2.184
  195    HB   VAL  26           HB       VAL  26  -7.068  -3.031   0.309
  196   HG11  VAL  26          HG11      VAL  26  -9.484  -1.718  -0.977
  197   HG12  VAL  26          HG12      VAL  26  -7.802  -1.574  -1.524
  198   HG13  VAL  26          HG13      VAL  26  -8.602  -3.146  -1.556
  199   HG21  VAL  26          HG21      VAL  26  -8.541  -0.517   1.139
  200   HG22  VAL  26          HG22      VAL  26  -7.307  -1.349   2.119
  201   HG23  VAL  26          HG23      VAL  26  -6.882  -0.659   0.547
  202    HA   PRO  27           HA       PRO  27 -12.752  -3.565   3.091
  203    HB2  PRO  27           HB2      PRO  27 -11.912  -2.536   5.752
  204    HB3  PRO  27           HB3      PRO  27 -12.970  -3.494   5.446
  205    HG2  PRO  27           HG2      PRO  27 -10.744  -4.856   5.890
  206    HG3  PRO  27           HG3      PRO  27 -11.618  -5.332   4.749
  207    HD2  PRO  27           HD2      PRO  27  -9.100  -3.872   4.159
  208    HD3  PRO  27           HD3      PRO  27  -9.741  -5.008   3.416
  209    H    LEU  28           H        LEU  28 -10.884  -0.591   3.905
  210    HA   LEU  28           HA       LEU  28 -13.158   1.124   3.929
  211    HB2  LEU  28           HB2      LEU  28 -11.581   2.874   4.142
  212    HB3  LEU  28           HB3      LEU  28 -11.258   1.717   5.179
  213    HG   LEU  28           HG       LEU  28  -9.270   2.790   4.308
  214   HD11  LEU  28          HD11      LEU  28  -7.876   0.897   3.966
  215   HD12  LEU  28          HD12      LEU  28  -9.213  -0.104   3.405
  216   HD13  LEU  28          HD13      LEU  28  -9.142   0.430   5.109
  217   HD21  LEU  28          HD21      LEU  28 -10.022   3.209   1.976
  218   HD22  LEU  28          HD22      LEU  28  -9.769   1.485   1.620
  219   HD23  LEU  28          HD23      LEU  28  -8.403   2.500   2.099
  220    H    SER  29           H        SER  29 -11.760  -0.275   1.211
  221    HA   SER  29           HA       SER  29 -13.292   1.540  -0.595
  222    HB2  SER  29           HB2      SER  29 -10.536   0.495  -1.305
  223    HB3  SER  29           HB3      SER  29 -11.496   1.182  -2.310
  224    HG   SER  29           HG       SER  29 -10.032   2.656  -1.336
  225    H    GLU  30           H        GLU  30 -13.362  -1.439   0.647
  226    HA   GLU  30           HA       GLU  30 -13.518  -3.238  -1.554
  227    HB2  GLU  30           HB2      GLU  30 -13.639  -3.543   1.133
  228    HB3  GLU  30           HB3      GLU  30 -15.166  -3.402   0.960
  229    HG2  GLU  30           HG2      GLU  30 -14.849  -5.393  -0.842
  230    HG3  GLU  30           HG3      GLU  30 -13.453  -5.582  -0.266
  231    HA   PRO  31           HA       PRO  31 -17.240  -1.863  -3.597
  232    HB2  PRO  31           HB2      PRO  31 -18.049  -4.634  -4.239
  233    HB3  PRO  31           HB3      PRO  31 -18.009  -3.464  -5.119
  234    HG2  PRO  31           HG2      PRO  31 -15.726  -4.791  -5.370
  235    HG3  PRO  31           HG3      PRO  31 -15.647  -3.278  -5.376
  236    HD2  PRO  31           HD2      PRO  31 -14.800  -4.779  -2.947
  237    HD3  PRO  31           HD3      PRO  31 -14.202  -3.556  -3.578
  238    HA   PRO  32           HA       PRO  32 -20.739  -3.756  -0.825
  239    HB2  PRO  32           HB2      PRO  32 -19.528  -4.929   1.569
  240    HB3  PRO  32           HB3      PRO  32 -20.669  -5.419   0.798
  241    HG2  PRO  32           HG2      PRO  32 -18.513  -6.797   0.086
  242    HG3  PRO  32           HG3      PRO  32 -19.467  -6.419  -1.014
  243    HD2  PRO  32           HD2      PRO  32 -16.967  -4.780  -0.627
  244    HD3  PRO  32           HD3      PRO  32 -17.487  -5.392  -1.865
  245    H    GLN  33           H        GLN  33 -17.859  -2.119   0.390
  246    HA   GLN  33           HA       GLN  33 -19.481  -0.351   2.173
  247    HB2  GLN  33           HB2      GLN  33 -16.497  -0.545   1.903
  248    HB3  GLN  33           HB3      GLN  33 -17.189   0.614   2.704
  249    HG2  GLN  33           HG2      GLN  33 -16.980  -0.832   4.497
  250    HG3  GLN  33           HG3      GLN  33 -18.436  -1.080   4.167
  251   HE21  GLN  33          HE21      GLN  33 -15.223  -2.442   3.301
  252   HE22  GLN  33          HE22      GLN  33 -15.770  -4.111   3.158
  253    H    ALA  34           H        ALA  34 -18.391  -0.470  -1.045
  254    HA   ALA  34           HA       ALA  34 -18.073   1.022  -2.711
  255    HB1  ALA  34           HB1      ALA  34 -20.528   2.231  -1.387
  256    HB2  ALA  34           HB2      ALA  34 -20.063   2.379  -3.097
  257    HB3  ALA  34           HB3      ALA  34 -20.503   0.796  -2.438
  258    H    LEU  35           H        LEU  35 -16.219   1.668  -0.836
  259    HA   LEU  35           HA       LEU  35 -14.704   3.203  -0.180
  260    HB2  LEU  35           HB2      LEU  35 -15.697   4.932  -2.403
  261    HB3  LEU  35           HB3      LEU  35 -14.387   5.242  -1.564
  262    HG   LEU  35           HG       LEU  35 -13.311   3.105  -2.286
  263   HD11  LEU  35          HD11      LEU  35 -14.164   2.106  -4.438
  264   HD12  LEU  35          HD12      LEU  35 -15.696   2.971  -4.187
  265   HD13  LEU  35          HD13      LEU  35 -15.155   1.712  -3.047
  266   HD21  LEU  35          HD21      LEU  35 -12.757   3.986  -4.517
  267   HD22  LEU  35          HD22      LEU  35 -12.841   5.287  -3.325
  268   HD23  LEU  35          HD23      LEU  35 -14.184   5.047  -4.466
  269    HN1  NH2  36           H1       NHE  36 -17.636   3.469   0.946
  270    HN2  NH2  36           H2       NHE  36 -17.511   4.986   1.815
  Start of MODEL    7
    1    H1   ARG   1           H1       ARG   1   7.883  12.006  -4.716
    2    H2   ARG   1           H2       ARG   1   7.414  10.638  -3.956
    3    H3   ARG   1           H3       ARG   1   8.359  10.551  -5.290
    4    HA   ARG   1           HA       ARG   1   9.183  11.734  -2.709
    5    HB2  ARG   1           HB2      ARG   1   9.918   9.063  -3.877
    6    HB3  ARG   1           HB3      ARG   1  10.915   9.742  -2.905
    7    HG2  ARG   1           HG2      ARG   1   8.160   8.960  -1.995
    8    HG3  ARG   1           HG3      ARG   1   9.462   8.158  -1.730
    9    HD2  ARG   1           HD2      ARG   1  10.318  10.505  -0.600
   10    HD3  ARG   1           HD3      ARG   1   8.846  10.899  -0.595
   11    HE   ARG   1           HE       ARG   1   8.782   8.291   0.490
   12   HH11  ARG   1          HH11      ARG   1  10.070  11.423   1.439
   13   HH12  ARG   1          HH12      ARG   1  10.266  10.925   3.097
   14   HH21  ARG   1          HH21      ARG   1   9.273   7.682   2.498
   15   HH22  ARG   1          HH22      ARG   1   9.752   8.858   3.715
   16    H    ASP   2           H        ASP   2  10.470  13.430  -3.092
   17    HA   ASP   2           HA       ASP   2  12.042  13.759  -5.484
   18    HB2  ASP   2           HB2      ASP   2  11.192  15.620  -3.944
   19    HB3  ASP   2           HB3      ASP   2  12.106  15.214  -2.821
   20    HA   PRO   3           HA       PRO   3  15.923  12.621  -3.011
   21    HB2  PRO   3           HB2      PRO   3  15.999  11.596  -0.558
   22    HB3  PRO   3           HB3      PRO   3  15.724  13.075  -0.767
   23    HG2  PRO   3           HG2      PRO   3  13.481  11.230  -0.102
   24    HG3  PRO   3           HG3      PRO   3  13.744  12.556   0.449
   25    HD2  PRO   3           HD2      PRO   3  12.076  12.701  -1.675
   26    HD3  PRO   3           HD3      PRO   3  13.032  13.857  -1.363
   27    H    LEU   4           H        LEU   4  13.372  10.196  -2.590
   28    HA   LEU   4           HA       LEU   4  13.230   7.965  -2.917
   29    HB2  LEU   4           HB2      LEU   4  13.584   9.347  -5.338
   30    HB3  LEU   4           HB3      LEU   4  14.556   8.229  -5.584
   31    HG   LEU   4           HG       LEU   4  11.674   7.682  -4.723
   32   HD11  LEU   4          HD11      LEU   4  11.823   8.750  -6.936
   33   HD12  LEU   4          HD12      LEU   4  11.292   7.067  -7.071
   34   HD13  LEU   4          HD13      LEU   4  12.970   7.501  -7.471
   35   HD21  LEU   4          HD21      LEU   4  13.119   5.763  -4.171
   36   HD22  LEU   4          HD22      LEU   4  13.739   5.742  -5.834
   37   HD23  LEU   4          HD23      LEU   4  12.027   5.378  -5.508
   38    H    LEU   5           H        LEU   5  15.545   8.378  -1.345
   39    HA   LEU   5           HA       LEU   5  17.815   6.927  -2.343
   40    HB2  LEU   5           HB2      LEU   5  17.189   7.529   0.535
   41    HB3  LEU   5           HB3      LEU   5  18.559   6.996   0.058
   42    HG   LEU   5           HG       LEU   5  17.460   9.657  -0.939
   43   HD11  LEU   5          HD11      LEU   5  17.972   9.667   1.471
   44   HD12  LEU   5          HD12      LEU   5  19.121  10.659   0.559
   45   HD13  LEU   5          HD13      LEU   5  19.604   9.045   1.131
   46   HD21  LEU   5          HD21      LEU   5  19.047   8.742  -2.563
   47   HD22  LEU   5          HD22      LEU   5  20.212   8.384  -1.264
   48   HD23  LEU   5          HD23      LEU   5  19.802  10.066  -1.676
   49    H    ASP   6           H        ASP   6  15.043   5.837  -0.431
   50    HA   ASP   6           HA       ASP   6  15.772   3.024  -1.050
   51    HB2  ASP   6           HB2      ASP   6  16.529   3.868   1.384
   52    HB3  ASP   6           HB3      ASP   6  15.071   3.886   1.780
   53    H    ALA   7           H        ALA   7  13.411   5.301  -1.214
   54    HA   ALA   7           HA       ALA   7  11.077   4.149  -0.167
   55    HB1  ALA   7           HB1      ALA   7   9.899   5.655  -1.689
   56    HB2  ALA   7           HB2      ALA   7  11.273   6.472  -0.923
   57    HB3  ALA   7           HB3      ALA   7  11.385   5.927  -2.614
   58    H    NLE   8           H        NLE   8  12.689   3.440  -3.249
   59    HA   NLE   8           HA       NLE   8  10.639   2.051  -4.543
   60    HB2  NLE   8           HB2      NLE   8  12.197   1.273  -6.057
   61    HB3  NLE   8           HB3      NLE   8  12.826   2.819  -5.539
   62    HG2  NLE   8           HG2      NLE   8  13.801   0.054  -4.667
   63    HG3  NLE   8           HG3      NLE   8  14.566   1.091  -5.848
   64    HD2  NLE   8           HD2      NLE   8  14.344   1.705  -2.872
   65    HD3  NLE   8           HD3      NLE   8  15.758   1.078  -3.709
   66    HE1  NLE   8           HE1      NLE   8  15.821   3.149  -5.125
   67    HE2  NLE   8           HE2      NLE   8  14.493   3.811  -4.140
   68    HE3  NLE   8           HE3      NLE   8  16.059   3.453  -3.395
   69    H    ARG   9           H        ARG   9  12.511   0.928  -1.831
   70    HA   ARG   9           HA       ARG   9  11.509  -1.883  -2.144
   71    HB2  ARG   9           HB2      ARG   9  13.284  -0.903   0.068
   72    HB3  ARG   9           HB3      ARG   9  12.862  -2.375  -0.164
   73    HG2  ARG   9           HG2      ARG   9  14.067  -2.104  -2.552
   74    HG3  ARG   9           HG3      ARG   9  14.637  -0.788  -2.060
   75    HD2  ARG   9           HD2      ARG   9  15.346  -3.403  -0.720
   76    HD3  ARG   9           HD3      ARG   9  16.282  -2.513  -1.547
   77    HE   ARG   9           HE       ARG   9  15.870  -0.644   0.233
   78   HH11  ARG   9          HH11      ARG   9  16.060  -4.051   1.063
   79   HH12  ARG   9          HH12      ARG   9  16.318  -3.694   2.750
   80   HH21  ARG   9          HH21      ARG   9  16.013  -0.276   2.334
   81   HH22  ARG   9          HH22      ARG   9  16.355  -1.585   3.453
   82    H    ARG  10           H        ARG  10  11.641   0.550   0.469
   83    HA   ARG  10           HA       ARG  10   9.736  -0.854   2.071
   84    HB2  ARG  10           HB2      ARG  10  10.196   0.899   3.653
   85    HB3  ARG  10           HB3      ARG  10  11.531   0.478   2.984
   86    HG2  ARG  10           HG2      ARG  10  10.792   2.656   1.369
   87    HG3  ARG  10           HG3      ARG  10  10.064   3.082   2.622
   88    HD2  ARG  10           HD2      ARG  10  13.052   2.595   2.629
   89    HD3  ARG  10           HD3      ARG  10  12.373   3.981   2.599
   90    HE   ARG  10           HE       ARG  10  11.291   3.404   4.849
   91   HH11  ARG  10          HH11      ARG  10  14.413   1.945   3.958
   92   HH12  ARG  10          HH12      ARG  10  14.879   1.847   5.633
   93   HH21  ARG  10          HH21      ARG  10  12.004   3.191   6.919
   94   HH22  ARG  10          HH22      ARG  10  13.570   2.509   7.242
   95    H    GLU  11           H        GLU  11   9.249   2.166   0.216
   96    HA   GLU  11           HA       GLU  11   6.360   2.181   0.864
   97    HB2  GLU  11           HB2      GLU  11   7.942   4.081  -0.859
   98    HB3  GLU  11           HB3      GLU  11   6.432   4.197  -0.727
   99    HG2  GLU  11           HG2      GLU  11   6.496   4.605   1.697
  100    HG3  GLU  11           HG3      GLU  11   7.868   3.978   1.922
  101    H    GLY  12           H        GLY  12   8.472   1.318  -1.865
  102    HA2  GLY  12           HA2      GLY  12   6.547   0.690  -3.834
  103    HA3  GLY  12           HA3      GLY  12   8.087  -0.148  -3.596
  104    H    ALA  13           H        ALA  13   7.729  -1.422  -1.129
  105    HA   ALA  13           HA       ALA  13   5.991  -3.616  -1.712
  106    HB1  ALA  13           HB1      ALA  13   8.019  -3.834  -0.356
  107    HB2  ALA  13           HB2      ALA  13   7.323  -2.779   0.897
  108    HB3  ALA  13           HB3      ALA  13   6.597  -4.366   0.558
  109    H    NLE  14           H        NLE  14   5.572  -0.873   0.604
  110    HA   NLE  14           HA       NLE  14   3.038  -1.684   1.589
  111    HB2  NLE  14           HB2      NLE  14   4.307   1.056   1.338
  112    HB3  NLE  14           HB3      NLE  14   2.730   0.789   2.096
  113    HG2  NLE  14           HG2      NLE  14   3.740  -0.836   3.674
  114    HG3  NLE  14           HG3      NLE  14   5.335  -0.518   3.003
  115    HD2  NLE  14           HD2      NLE  14   3.543   1.530   4.386
  116    HD3  NLE  14           HD3      NLE  14   4.902   0.684   5.126
  117    HE1  NLE  14           HE1      NLE  14   6.456   1.759   3.491
  118    HE2  NLE  14           HE2      NLE  14   5.080   2.681   2.829
  119    HE3  NLE  14           HE3      NLE  14   5.594   2.928   4.505
  120    H    ASP  15           H        ASP  15   3.823   0.135  -1.375
  121    HA   ASP  15           HA       ASP  15   1.162   0.798  -2.133
  122    HB2  ASP  15           HB2      ASP  15   3.450   1.589  -3.143
  123    HB3  ASP  15           HB3      ASP  15   3.567   0.293  -3.917
  124    H    PHE  16           H        PHE  16   2.645  -2.359  -2.162
  125    HA   PHE  16           HA       PHE  16   0.267  -3.353  -3.674
  126    HB2  PHE  16           HB2      PHE  16   1.535  -5.091  -4.619
  127    HB3  PHE  16           HB3      PHE  16   2.159  -3.721  -5.039
  128    HD1  PHE  16           HD1      PHE  16   2.681  -6.325  -2.329
  129    HD2  PHE  16           HD2      PHE  16   4.480  -3.537  -5.088
  130    HE1  PHE  16           HE1      PHE  16   4.927  -7.200  -1.755
  131    HE2  PHE  16           HE2      PHE  16   6.721  -4.444  -4.540
  132    HZ   PHE  16           HZ       PHE  16   6.951  -6.278  -2.872
  133    H    TRP  17           H        TRP  17   1.869  -3.515  -0.598
  134    HA   TRP  17           HA       TRP  17   0.218  -5.698   0.423
  135    HB2  TRP  17           HB2      TRP  17   2.101  -4.671   1.753
  136    HB3  TRP  17           HB3      TRP  17   1.477  -3.258   1.715
  137    HD1  TRP  17           HD1      TRP  17   0.075  -2.501   3.679
  138    HE1  TRP  17           HE1      TRP  17  -1.146  -3.602   5.651
  139    HE3  TRP  17           HE3      TRP  17   0.689  -7.423   2.371
  140    HZ2  TRP  17           HZ2      TRP  17  -1.762  -6.268   6.556
  141    HZ3  TRP  17           HZ3      TRP  17  -0.218  -9.224   3.824
  142    HH2  TRP  17           HH2      TRP  17  -1.413  -8.662   5.928
  143    H    SER  18           H        SER  18  -0.214  -2.116   0.368
  144    HA   SER  18           HA       SER  18  -2.854  -2.128   1.421
  145    HB2  SER  18           HB2      SER  18  -2.818   0.266   0.755
  146    HB3  SER  18           HB3      SER  18  -1.499  -0.127   1.452
  147    HG   SER  18           HG       SER  18  -0.390  -0.137  -0.422
  148    H    ALA  19           H        ALA  19  -1.837  -2.853  -1.840
  149    HA   ALA  19           HA       ALA  19  -4.307  -2.425  -3.203
  150    HB1  ALA  19           HB1      ALA  19  -2.112  -2.772  -4.302
  151    HB2  ALA  19           HB2      ALA  19  -2.110  -4.466  -3.752
  152    HB3  ALA  19           HB3      ALA  19  -3.339  -3.903  -4.900
  153    H    GLY  20           H        GLY  20  -3.539  -4.809  -0.814
  154    HA2  GLY  20           HA2      GLY  20  -6.152  -6.199  -1.331
  155    HA3  GLY  20           HA3      GLY  20  -4.677  -7.117  -1.030
  156    H    ABA  21           H        ABU  21  -3.808  -5.053   0.998
  157    HA   ABA  21           HA       ABU  21  -3.660  -4.968   3.232
  158    HB3  ABA  21           HB3      ABU  21  -6.522  -4.013   2.954
  159    HB2  ABA  21           HB2      ABU  21  -5.103  -3.093   2.443
  160    HG1  ABA  21           HG1      ABU  21  -5.826  -2.361   4.657
  161    HG3  ABA  21           HG3      ABU  21  -4.229  -3.127   4.766
  162    HG2  ABA  21           HG2      ABU  21  -5.682  -4.010   5.293
  163    H    TYR  22           H        TYR  22  -3.304  -6.998   3.998
  164    HA   TYR  22           HA       TYR  22  -3.564  -8.952   5.058
  165    HB2  TYR  22           HB2      TYR  22  -6.372  -8.411   5.861
  166    HB3  TYR  22           HB3      TYR  22  -5.419  -9.487   6.481
  167    HD1  TYR  22           HD1      TYR  22  -3.316  -8.841   7.778
  168    HD2  TYR  22           HD2      TYR  22  -6.418  -6.042   6.705
  169    HE1  TYR  22           HE1      TYR  22  -2.571  -7.311   9.603
  170    HE2  TYR  22           HE2      TYR  22  -5.677  -4.518   8.530
  171    HH   TYR  22           HH       TYR  22  -4.215  -4.193  10.265
  172    H    ALA  23           H        ALA  23  -4.280  -8.575   2.192
  173    HA   ALA  23           HA       ALA  23  -5.275  -9.579   0.417
  174    HB1  ALA  23           HB1      ALA  23  -4.911 -11.987   0.255
  175    HB2  ALA  23           HB2      ALA  23  -3.519 -11.194   1.013
  176    HB3  ALA  23           HB3      ALA  23  -4.679 -12.099   2.013
  177    H    ARG  24           H        ARG  24  -7.101  -8.456   1.929
  178    HA   ARG  24           HA       ARG  24  -9.472 -10.266   2.243
  179    HB2  ARG  24           HB2      ARG  24  -8.428  -9.554   4.319
  180    HB3  ARG  24           HB3      ARG  24  -8.276  -8.030   3.894
  181    HG2  ARG  24           HG2      ARG  24 -10.044  -8.095   5.488
  182    HG3  ARG  24           HG3      ARG  24 -10.563  -7.514   4.177
  183    HD2  ARG  24           HD2      ARG  24 -11.531  -9.972   3.687
  184    HD3  ARG  24           HD3      ARG  24 -11.044 -10.382   5.086
  185    HE   ARG  24           HE       ARG  24 -12.805  -9.268   6.099
  186   HH11  ARG  24          HH11      ARG  24 -12.430  -7.829   2.910
  187   HH12  ARG  24          HH12      ARG  24 -13.891  -6.874   3.077
  188   HH21  ARG  24          HH21      ARG  24 -14.638  -7.964   6.235
  189   HH22  ARG  24          HH22      ARG  24 -15.053  -6.941   4.883
  190    H    GLY  25           H        GLY  25  -8.471  -8.334  -0.003
  191    HA2  GLY  25           HA2      GLY  25  -9.679  -7.388  -1.748
  192    HA3  GLY  25           HA3      GLY  25 -11.162  -7.504  -0.798
  193    H    VAL  26           H        VAL  26  -8.325  -5.881   0.496
  194    HA   VAL  26           HA       VAL  26  -8.104  -3.838   1.428
  195    HB   VAL  26           HB       VAL  26  -7.049  -3.524  -0.602
  196   HG11  VAL  26          HG11      VAL  26  -9.633  -2.554  -1.861
  197   HG12  VAL  26          HG12      VAL  26  -8.009  -2.383  -2.562
  198   HG13  VAL  26          HG13      VAL  26  -8.687  -3.989  -2.303
  199   HG21  VAL  26          HG21      VAL  26  -8.598  -0.988   0.007
  200   HG22  VAL  26          HG22      VAL  26  -7.193  -1.599   0.921
  201   HG23  VAL  26          HG23      VAL  26  -7.021  -1.118  -0.771
  202    HA   PRO  27           HA       PRO  27 -12.518  -3.679   2.622
  203    HB2  PRO  27           HB2      PRO  27 -11.465  -2.492   5.136
  204    HB3  PRO  27           HB3      PRO  27 -12.568  -3.431   4.973
  205    HG2  PRO  27           HG2      PRO  27 -10.364  -4.836   5.391
  206    HG3  PRO  27           HG3      PRO  27 -11.319  -5.362   4.338
  207    HD2  PRO  27           HD2      PRO  27  -8.799  -4.014   3.502
  208    HD3  PRO  27           HD3      PRO  27  -9.482  -5.205   2.907
  209    H    LEU  28           H        LEU  28 -10.426  -0.775   3.069
  210    HA   LEU  28           HA       LEU  28 -12.607   1.073   3.051
  211    HB2  LEU  28           HB2      LEU  28 -10.936   2.735   3.099
  212    HB3  LEU  28           HB3      LEU  28 -10.626   1.632   4.196
  213    HG   LEU  28           HG       LEU  28  -8.622   2.535   3.202
  214   HD11  LEU  28          HD11      LEU  28  -7.346   0.555   2.882
  215   HD12  LEU  28          HD12      LEU  28  -8.762  -0.391   2.421
  216   HD13  LEU  28          HD13      LEU  28  -8.586   0.205   4.094
  217   HD21  LEU  28          HD21      LEU  28  -9.441   2.907   0.887
  218   HD22  LEU  28          HD22      LEU  28  -9.312   1.161   0.592
  219   HD23  LEU  28          HD23      LEU  28  -7.864   2.103   0.970
  220    H    SER  29           H        SER  29 -11.430  -0.634   0.421
  221    HA   SER  29           HA       SER  29 -12.863   1.166  -1.473
  222    HB2  SER  29           HB2      SER  29 -10.283  -0.230  -2.209
  223    HB3  SER  29           HB3      SER  29 -11.224   0.455  -3.229
  224    HG   SER  29           HG       SER  29  -9.571   1.856  -2.474
  225    H    GLU  30           H        GLU  30 -13.090  -1.729   0.021
  226    HA   GLU  30           HA       GLU  30 -13.607  -3.620  -2.042
  227    HB2  GLU  30           HB2      GLU  30 -13.461  -3.775   0.665
  228    HB3  GLU  30           HB3      GLU  30 -14.985  -3.555   0.632
  229    HG2  GLU  30           HG2      GLU  30 -14.968  -5.637  -1.084
  230    HG3  GLU  30           HG3      GLU  30 -13.530  -5.883  -0.657
  231    HA   PRO  31           HA       PRO  31 -17.449  -2.091  -3.738
  232    HB2  PRO  31           HB2      PRO  31 -18.475  -4.832  -4.152
  233    HB3  PRO  31           HB3      PRO  31 -18.465  -3.708  -5.089
  234    HG2  PRO  31           HG2      PRO  31 -16.307  -5.183  -5.518
  235    HG3  PRO  31           HG3      PRO  31 -16.141  -3.682  -5.609
  236    HD2  PRO  31           HD2      PRO  31 -15.120  -5.121  -3.209
  237    HD3  PRO  31           HD3      PRO  31 -14.524  -3.970  -3.965
  238    HA   PRO  32           HA       PRO  32 -20.718  -3.696  -0.528
  239    HB2  PRO  32           HB2      PRO  32 -19.301  -4.801   1.786
  240    HB3  PRO  32           HB3      PRO  32 -20.538  -5.272   1.174
  241    HG2  PRO  32           HG2      PRO  32 -18.540  -6.787   0.297
  242    HG3  PRO  32           HG3      PRO  32 -19.593  -6.412  -0.709
  243    HD2  PRO  32           HD2      PRO  32 -16.997  -4.884  -0.680
  244    HD3  PRO  32           HD3      PRO  32 -17.676  -5.524  -1.820
  245    H    GLN  33           H        GLN  33 -17.684  -2.096   0.249
  246    HA   GLN  33           HA       GLN  33 -19.037  -0.190   2.113
  247    HB2  GLN  33           HB2      GLN  33 -16.111  -0.538   1.544
  248    HB3  GLN  33           HB3      GLN  33 -16.655   0.694   2.345
  249    HG2  GLN  33           HG2      GLN  33 -16.309  -0.677   4.177
  250    HG3  GLN  33           HG3      GLN  33 -17.807  -0.827   4.033
  251   HE21  GLN  33          HE21      GLN  33 -14.839  -2.464   2.855
  252   HE22  GLN  33          HE22      GLN  33 -15.498  -4.098   2.891
  253    H    ALA  34           H        ALA  34 -18.621  -0.507  -1.177
  254    HA   ALA  34           HA       ALA  34 -18.462   0.853  -2.967
  255    HB1  ALA  34           HB1      ALA  34 -20.260   2.502  -3.019
  256    HB2  ALA  34           HB2      ALA  34 -20.778   1.040  -2.162
  257    HB3  ALA  34           HB3      ALA  34 -20.345   2.502  -1.243
  258    H    LEU  35           H        LEU  35 -16.184   1.274  -1.461
  259    HA   LEU  35           HA       LEU  35 -14.423   2.602  -1.050
  260    HB2  LEU  35           HB2      LEU  35 -15.197   4.354  -3.340
  261    HB3  LEU  35           HB3      LEU  35 -13.771   4.235  -2.692
  262    HG   LEU  35           HG       LEU  35 -13.974   1.622  -3.316
  263   HD11  LEU  35          HD11      LEU  35 -14.999   1.370  -5.550
  264   HD12  LEU  35          HD12      LEU  35 -15.644   3.023  -5.449
  265   HD13  LEU  35          HD13      LEU  35 -16.223   1.760  -4.344
  266   HD21  LEU  35          HD21      LEU  35 -12.739   2.139  -5.383
  267   HD22  LEU  35          HD22      LEU  35 -12.189   3.144  -4.036
  268   HD23  LEU  35          HD23      LEU  35 -13.260   3.838  -5.275
  269    HN1  NH2  36           H1       NHE  36 -16.999   3.402   0.391
  270    HN2  NH2  36           H2       NHE  36 -16.613   5.008   0.980
  Start of MODEL    8
    1    H1   ARG   1           H1       ARG   1   8.140  11.709  -4.741
    2    H2   ARG   1           H2       ARG   1   7.717  10.267  -4.099
    3    H3   ARG   1           H3       ARG   1   8.764  10.328  -5.354
    4    HA   ARG   1           HA       ARG   1   9.298  11.412  -2.657
    5    HB2  ARG   1           HB2      ARG   1  10.220   8.835  -3.885
    6    HB3  ARG   1           HB3      ARG   1  11.203   9.528  -2.910
    7    HG2  ARG   1           HG2      ARG   1   8.495   8.626  -1.976
    8    HG3  ARG   1           HG3      ARG   1   9.832   7.879  -1.738
    9    HD2  ARG   1           HD2      ARG   1  10.600  10.251  -0.592
   10    HD3  ARG   1           HD3      ARG   1   9.113  10.578  -0.560
   11    HE   ARG   1           HE       ARG   1   9.140   7.975   0.491
   12   HH11  ARG   1          HH11      ARG   1  10.407  11.104   1.473
   13   HH12  ARG   1          HH12      ARG   1  10.675  10.568   3.108
   14   HH21  ARG   1          HH21      ARG   1   9.699   7.327   2.463
   15   HH22  ARG   1          HH22      ARG   1  10.211   8.478   3.694
   16    H    ASP   2           H        ASP   2  10.589  13.132  -2.748
   17    HA   ASP   2           HA       ASP   2  12.300  13.756  -4.981
   18    HB2  ASP   2           HB2      ASP   2  11.322  15.422  -3.305
   19    HB3  ASP   2           HB3      ASP   2  12.150  14.894  -2.172
   20    HA   PRO   3           HA       PRO   3  16.036  12.367  -2.412
   21    HB2  PRO   3           HB2      PRO   3  15.964  11.062  -0.091
   22    HB3  PRO   3           HB3      PRO   3  15.717  12.562  -0.149
   23    HG2  PRO   3           HG2      PRO   3  13.426  10.688   0.187
   24    HG3  PRO   3           HG3      PRO   3  13.665  11.949   0.887
   25    HD2  PRO   3           HD2      PRO   3  12.122  12.331  -1.302
   26    HD3  PRO   3           HD3      PRO   3  13.070  13.436  -0.821
   27    H    LEU   4           H        LEU   4  13.532   9.836  -2.268
   28    HA   LEU   4           HA       LEU   4  13.488   7.632  -2.750
   29    HB2  LEU   4           HB2      LEU   4  13.784   9.152  -5.088
   30    HB3  LEU   4           HB3      LEU   4  14.831   8.116  -5.378
   31    HG   LEU   4           HG       LEU   4  11.983   7.332  -4.588
   32   HD11  LEU   4          HD11      LEU   4  12.075   8.552  -6.724
   33   HD12  LEU   4          HD12      LEU   4  11.654   6.851  -6.976
   34   HD13  LEU   4          HD13      LEU   4  13.302   7.418  -7.330
   35   HD21  LEU   4          HD21      LEU   4  14.180   5.607  -5.801
   36   HD22  LEU   4          HD22      LEU   4  12.494   5.111  -5.534
   37   HD23  LEU   4          HD23      LEU   4  13.537   5.470  -4.153
   38    H    LEU   5           H        LEU   5  15.800   8.116  -1.149
   39    HA   LEU   5           HA       LEU   5  18.104   6.730  -2.201
   40    HB2  LEU   5           HB2      LEU   5  17.523   7.316   0.689
   41    HB3  LEU   5           HB3      LEU   5  18.900   6.832   0.171
   42    HG   LEU   5           HG       LEU   5  17.678   9.468  -0.748
   43   HD11  LEU   5          HD11      LEU   5  18.308   9.451   1.634
   44   HD12  LEU   5          HD12      LEU   5  19.376  10.497   0.687
   45   HD13  LEU   5          HD13      LEU   5  19.940   8.891   1.203
   46   HD21  LEU   5          HD21      LEU   5  19.208   8.633  -2.464
   47   HD22  LEU   5          HD22      LEU   5  20.448   8.288  -1.232
   48   HD23  LEU   5          HD23      LEU   5  19.968   9.963  -1.591
   49    H    ASP   6           H        ASP   6  15.357   5.602  -0.290
   50    HA   ASP   6           HA       ASP   6  16.163   2.791  -0.832
   51    HB2  ASP   6           HB2      ASP   6  16.855   3.720   1.583
   52    HB3  ASP   6           HB3      ASP   6  15.387   3.739   1.953
   53    H    ALA   7           H        ALA   7  13.767   4.989  -1.161
   54    HA   ALA   7           HA       ALA   7  11.430   3.856  -0.096
   55    HB1  ALA   7           HB1      ALA   7  10.261   5.270  -1.714
   56    HB2  ALA   7           HB2      ALA   7  11.612   6.142  -0.972
   57    HB3  ALA   7           HB3      ALA   7  11.758   5.507  -2.629
   58    H    NLE   8           H        NLE   8  13.107   3.025  -3.112
   59    HA   NLE   8           HA       NLE   8  11.104   1.555  -4.382
   60    HB2  NLE   8           HB2      NLE   8  12.716   0.706  -5.816
   61    HB3  NLE   8           HB3      NLE   8  13.277   2.302  -5.384
   62    HG2  NLE   8           HG2      NLE   8  14.330  -0.363  -4.314
   63    HG3  NLE   8           HG3      NLE   8  15.085   0.623  -5.548
   64    HD2  NLE   8           HD2      NLE   8  14.781   1.402  -2.618
   65    HD3  NLE   8           HD3      NLE   8  16.238   0.803  -3.401
   66    HE1  NLE   8           HE1      NLE   8  16.233   2.794  -4.922
   67    HE2  NLE   8           HE2      NLE   8  14.847   3.443  -4.015
   68    HE3  NLE   8           HE3      NLE   8  16.405   3.211  -3.208
   69    H    ARG   9           H        ARG   9  12.915   0.557  -1.579
   70    HA   ARG   9           HA       ARG   9  11.960  -2.277  -1.810
   71    HB2  ARG   9           HB2      ARG   9  13.599  -1.161   0.443
   72    HB3  ARG   9           HB3      ARG   9  13.211  -2.649   0.266
   73    HG2  ARG   9           HG2      ARG   9  14.532  -2.480  -2.071
   74    HG3  ARG   9           HG3      ARG   9  15.059  -1.133  -1.619
   75    HD2  ARG   9           HD2      ARG   9  15.716  -3.662  -0.099
   76    HD3  ARG   9           HD3      ARG   9  16.690  -2.829  -0.946
   77    HE   ARG   9           HE       ARG   9  16.188  -0.844   0.695
   78   HH11  ARG   9          HH11      ARG   9  16.483  -4.194   1.702
   79   HH12  ARG   9          HH12      ARG   9  16.750  -3.743   3.364
   80   HH21  ARG   9          HH21      ARG   9  16.341  -0.361   2.781
   81   HH22  ARG   9          HH22      ARG   9  16.732  -1.603   3.958
   82    H    ARG  10           H        ARG  10  11.942   0.216   0.727
   83    HA   ARG  10           HA       ARG  10   9.941  -1.098   2.275
   84    HB2  ARG  10           HB2      ARG  10  10.310   0.759   3.784
   85    HB3  ARG  10           HB3      ARG  10  11.671   0.253   3.246
   86    HG2  ARG  10           HG2      ARG  10  11.077   2.359   1.450
   87    HG3  ARG  10           HG3      ARG  10  10.355   2.885   2.664
   88    HD2  ARG  10           HD2      ARG  10  13.310   2.210   2.788
   89    HD3  ARG  10           HD3      ARG  10  12.741   3.635   2.598
   90    HE   ARG  10           HE       ARG  10  11.483   3.222   4.865
   91   HH11  ARG  10          HH11      ARG  10  14.738   1.981   4.169
   92   HH12  ARG  10          HH12      ARG  10  15.201   2.154   5.840
   93   HH21  ARG  10          HH21      ARG  10  12.189   3.349   6.948
   94   HH22  ARG  10          HH22      ARG  10  13.811   2.875   7.355
   95    H    GLU  11           H        GLU  11   9.574   1.865   0.297
   96    HA   GLU  11           HA       GLU  11   6.661   1.919   0.804
   97    HB2  GLU  11           HB2      GLU  11   8.336   3.760  -0.894
   98    HB3  GLU  11           HB3      GLU  11   6.822   3.893  -0.824
   99    HG2  GLU  11           HG2      GLU  11   6.797   4.354   1.593
  100    HG3  GLU  11           HG3      GLU  11   8.150   3.719   1.886
  101    H    GLY  12           H        GLY  12   8.883   0.918  -1.782
  102    HA2  GLY  12           HA2      GLY  12   7.043   0.241  -3.818
  103    HA3  GLY  12           HA3      GLY  12   8.545  -0.622  -3.460
  104    H    ALA  13           H        ALA  13   8.003  -1.726  -0.930
  105    HA   ALA  13           HA       ALA  13   6.224  -3.905  -1.478
  106    HB1  ALA  13           HB1      ALA  13   8.182  -4.098  -0.018
  107    HB2  ALA  13           HB2      ALA  13   7.458  -2.958   1.139
  108    HB3  ALA  13           HB3      ALA  13   6.701  -4.540   0.851
  109    H    NLE  14           H        NLE  14   5.822  -1.050   0.696
  110    HA   NLE  14           HA       NLE  14   3.223  -1.712   1.607
  111    HB2  NLE  14           HB2      NLE  14   4.610   0.965   1.318
  112    HB3  NLE  14           HB3      NLE  14   3.015   0.775   2.059
  113    HG2  NLE  14           HG2      NLE  14   3.935  -0.837   3.696
  114    HG3  NLE  14           HG3      NLE  14   5.551  -0.616   3.036
  115    HD2  NLE  14           HD2      NLE  14   3.850   1.560   4.334
  116    HD3  NLE  14           HD3      NLE  14   5.154   0.666   5.119
  117    HE1  NLE  14           HE1      NLE  14   6.781   1.606   3.472
  118    HE2  NLE  14           HE2      NLE  14   5.465   2.581   2.768
  119    HE3  NLE  14           HE3      NLE  14   5.972   2.850   4.442
  120    H    ASP  15           H        ASP  15   4.177  -0.054  -1.393
  121    HA   ASP  15           HA       ASP  15   1.602   0.764  -2.258
  122    HB2  ASP  15           HB2      ASP  15   3.951   1.312  -3.262
  123    HB3  ASP  15           HB3      ASP  15   4.009  -0.050  -3.922
  124    H    PHE  16           H        PHE  16   2.886  -2.504  -2.153
  125    HA   PHE  16           HA       PHE  16   0.467  -3.404  -3.668
  126    HB2  PHE  16           HB2      PHE  16   1.625  -5.277  -4.443
  127    HB3  PHE  16           HB3      PHE  16   2.430  -4.014  -4.871
  128    HD1  PHE  16           HD1      PHE  16   2.427  -6.538  -2.043
  129    HD2  PHE  16           HD2      PHE  16   4.761  -4.060  -4.696
  130    HE1  PHE  16           HE1      PHE  16   4.503  -7.611  -1.224
  131    HE2  PHE  16           HE2      PHE  16   6.830  -5.176  -3.910
  132    HZ   PHE  16           HZ       PHE  16   6.709  -6.946  -2.164
  133    H    TRP  17           H        TRP  17   1.938  -3.478  -0.514
  134    HA   TRP  17           HA       TRP  17   0.122  -5.485   0.571
  135    HB2  TRP  17           HB2      TRP  17   2.064  -4.478   1.870
  136    HB3  TRP  17           HB3      TRP  17   1.467  -3.057   1.806
  137    HD1  TRP  17           HD1      TRP  17   0.068  -2.255   3.761
  138    HE1  TRP  17           HE1      TRP  17  -1.189  -3.317   5.733
  139    HE3  TRP  17           HE3      TRP  17   0.605  -7.195   2.498
  140    HZ2  TRP  17           HZ2      TRP  17  -1.871  -5.965   6.647
  141    HZ3  TRP  17           HZ3      TRP  17  -0.355  -8.969   3.950
  142    HH2  TRP  17           HH2      TRP  17  -1.571  -8.370   6.031
  143    H    SER  18           H        SER  18  -0.077  -1.890   0.353
  144    HA   SER  18           HA       SER  18  -2.740  -1.681   1.337
  145    HB2  SER  18           HB2      SER  18  -2.514   0.676   0.579
  146    HB3  SER  18           HB3      SER  18  -1.250   0.220   1.339
  147    HG   SER  18           HG       SER  18  -0.082   0.047  -0.501
  148    H    ALA  19           H        ALA  19  -1.680  -2.579  -1.864
  149    HA   ALA  19           HA       ALA  19  -4.074  -2.034  -3.319
  150    HB1  ALA  19           HB1      ALA  19  -1.866  -2.530  -4.334
  151    HB2  ALA  19           HB2      ALA  19  -1.983  -4.209  -3.753
  152    HB3  ALA  19           HB3      ALA  19  -3.136  -3.598  -4.954
  153    H    GLY  20           H        GLY  20  -3.501  -4.435  -0.883
  154    HA2  GLY  20           HA2      GLY  20  -6.172  -5.690  -1.459
  155    HA3  GLY  20           HA3      GLY  20  -4.754  -6.669  -1.083
  156    H    ABA  21           H        ABU  21  -3.926  -4.498   0.919
  157    HA   ABA  21           HA       ABU  21  -3.872  -4.337   3.154
  158    HB3  ABA  21           HB3      ABU  21  -6.744  -3.460   2.741
  159    HB2  ABA  21           HB2      ABU  21  -5.331  -2.522   2.250
  160    HG1  ABA  21           HG1      ABU  21  -6.159  -1.741   4.412
  161    HG3  ABA  21           HG3      ABU  21  -4.541  -2.448   4.598
  162    HG2  ABA  21           HG2      ABU  21  -5.981  -3.362   5.109
  163    H    TYR  22           H        TYR  22  -3.514  -6.463   3.734
  164    HA   TYR  22           HA       TYR  22  -3.742  -8.365   4.902
  165    HB2  TYR  22           HB2      TYR  22  -6.608  -7.930   5.553
  166    HB3  TYR  22           HB3      TYR  22  -5.664  -9.010   6.202
  167    HD1  TYR  22           HD1      TYR  22  -3.586  -8.316   7.555
  168    HD2  TYR  22           HD2      TYR  22  -6.841  -5.663   6.568
  169    HE1  TYR  22           HE1      TYR  22  -2.987  -6.857   9.488
  170    HE2  TYR  22           HE2      TYR  22  -6.250  -4.214   8.502
  171    HH   TYR  22           HH       TYR  22  -4.855  -3.904  10.294
  172    H    ALA  23           H        ALA  23  -4.415  -7.983   1.981
  173    HA   ALA  23           HA       ALA  23  -5.329  -9.027   0.184
  174    HB1  ALA  23           HB1      ALA  23  -4.870 -11.415  -0.001
  175    HB2  ALA  23           HB2      ALA  23  -3.513 -10.576   0.772
  176    HB3  ALA  23           HB3      ALA  23  -4.640 -11.537   1.756
  177    H    ARG  24           H        ARG  24  -7.203  -7.970   1.603
  178    HA   ARG  24           HA       ARG  24  -9.478  -9.866   2.081
  179    HB2  ARG  24           HB2      ARG  24  -8.359  -8.971   4.055
  180    HB3  ARG  24           HB3      ARG  24  -8.336  -7.465   3.527
  181    HG2  ARG  24           HG2      ARG  24 -10.005  -7.564   5.243
  182    HG3  ARG  24           HG3      ARG  24 -10.618  -7.069   3.943
  183    HD2  ARG  24           HD2      ARG  24 -11.456  -9.602   3.594
  184    HD3  ARG  24           HD3      ARG  24 -10.877  -9.925   4.977
  185    HE   ARG  24           HE       ARG  24 -12.661  -8.891   6.035
  186   HH11  ARG  24          HH11      ARG  24 -12.501  -7.523   2.794
  187   HH12  ARG  24          HH12      ARG  24 -14.013  -6.657   3.004
  188   HH21  ARG  24          HH21      ARG  24 -14.565  -7.699   6.209
  189   HH22  ARG  24          HH22      ARG  24 -15.094  -6.741   4.849
  190    H    GLY  25           H        GLY  25  -8.689  -8.063  -0.325
  191    HA2  GLY  25           HA2      GLY  25  -9.922  -7.044  -2.001
  192    HA3  GLY  25           HA3      GLY  25 -11.385  -7.212  -1.025
  193    H    VAL  26           H        VAL  26  -8.608  -5.612   0.358
  194    HA   VAL  26           HA       VAL  26  -8.449  -3.624   1.400
  195    HB   VAL  26           HB       VAL  26  -7.213  -3.270  -0.493
  196   HG11  VAL  26          HG11      VAL  26  -9.673  -2.312  -1.978
  197   HG12  VAL  26          HG12      VAL  26  -7.997  -2.090  -2.525
  198   HG13  VAL  26          HG13      VAL  26  -8.658  -3.716  -2.349
  199   HG21  VAL  26          HG21      VAL  26  -8.780  -0.715  -0.064
  200   HG22  VAL  26          HG22      VAL  26  -7.543  -1.355   1.049
  201   HG23  VAL  26          HG23      VAL  26  -7.103  -0.888  -0.600
  202    HA   PRO  27           HA       PRO  27 -12.847  -3.448   2.403
  203    HB2  PRO  27           HB2      PRO  27 -11.966  -2.035   4.868
  204    HB3  PRO  27           HB3      PRO  27 -13.016  -3.037   4.728
  205    HG2  PRO  27           HG2      PRO  27 -10.763  -4.297   5.324
  206    HG3  PRO  27           HG3      PRO  27 -11.651  -4.947   4.286
  207    HD2  PRO  27           HD2      PRO  27  -9.167  -3.560   3.430
  208    HD3  PRO  27           HD3      PRO  27  -9.800  -4.803   2.886
  209    H    LEU  28           H        LEU  28 -10.979  -0.365   2.713
  210    HA   LEU  28           HA       LEU  28 -13.303   1.289   2.513
  211    HB2  LEU  28           HB2      LEU  28 -11.772   3.092   2.452
  212    HB3  LEU  28           HB3      LEU  28 -11.432   2.121   3.654
  213    HG   LEU  28           HG       LEU  28  -9.466   3.103   2.620
  214   HD11  LEU  28          HD11      LEU  28  -8.018   1.228   2.631
  215   HD12  LEU  28          HD12      LEU  28  -9.311   0.100   2.222
  216   HD13  LEU  28          HD13      LEU  28  -9.294   0.910   3.812
  217   HD21  LEU  28          HD21      LEU  28 -10.203   3.096   0.248
  218   HD22  LEU  28          HD22      LEU  28  -9.923   1.342   0.196
  219   HD23  LEU  28          HD23      LEU  28  -8.572   2.445   0.495
  220    H    SER  29           H        SER  29 -11.916  -0.487   0.039
  221    HA   SER  29           HA       SER  29 -13.401   1.088  -2.026
  222    HB2  SER  29           HB2      SER  29 -10.829  -0.401  -2.608
  223    HB3  SER  29           HB3      SER  29 -11.733   0.255  -3.675
  224    HG   SER  29           HG       SER  29 -10.037   1.634  -2.981
  225    H    GLU  30           H        GLU  30 -13.381  -1.790  -0.325
  226    HA   GLU  30           HA       GLU  30 -14.069  -3.761  -2.249
  227    HB2  GLU  30           HB2      GLU  30 -13.676  -3.809   0.436
  228    HB3  GLU  30           HB3      GLU  30 -15.191  -3.566   0.538
  229    HG2  GLU  30           HG2      GLU  30 -15.318  -5.727  -1.110
  230    HG3  GLU  30           HG3      GLU  30 -13.858  -5.970  -0.731
  231    HA   PRO  31           HA       PRO  31 -18.031  -2.282  -3.685
  232    HB2  PRO  31           HB2      PRO  31 -19.082  -5.034  -3.957
  233    HB3  PRO  31           HB3      PRO  31 -19.142  -3.932  -4.916
  234    HG2  PRO  31           HG2      PRO  31 -17.014  -5.416  -5.467
  235    HG3  PRO  31           HG3      PRO  31 -16.862  -3.914  -5.605
  236    HD2  PRO  31           HD2      PRO  31 -15.665  -5.298  -3.252
  237    HD3  PRO  31           HD3      PRO  31 -15.127  -4.167  -4.077
  238    HA   PRO  32           HA       PRO  32 -21.038  -3.803  -0.175
  239    HB2  PRO  32           HB2      PRO  32 -19.388  -4.780   2.050
  240    HB3  PRO  32           HB3      PRO  32 -20.683  -5.278   1.596
  241    HG2  PRO  32           HG2      PRO  32 -18.794  -6.838   0.581
  242    HG3  PRO  32           HG3      PRO  32 -19.933  -6.493  -0.335
  243    HD2  PRO  32           HD2      PRO  32 -17.340  -4.981  -0.605
  244    HD3  PRO  32           HD3      PRO  32 -18.125  -5.660  -1.655
  245    H    GLN  33           H        GLN  33 -18.028  -2.061   0.202
  246    HA   GLN  33           HA       GLN  33 -19.341  -0.043   1.987
  247    HB2  GLN  33           HB2      GLN  33 -16.411  -0.433   1.514
  248    HB3  GLN  33           HB3      GLN  33 -16.987   0.805   2.283
  249    HG2  GLN  33           HG2      GLN  33 -16.641  -0.536   4.137
  250    HG3  GLN  33           HG3      GLN  33 -18.145  -0.691   3.979
  251   HE21  GLN  33          HE21      GLN  33 -15.267  -2.347   2.551
  252   HE22  GLN  33          HE22      GLN  33 -15.872  -3.984   2.788
  253    H    ALA  34           H        ALA  34 -19.002  -0.625  -1.208
  254    HA   ALA  34           HA       ALA  34 -18.895   0.588  -3.121
  255    HB1  ALA  34           HB1      ALA  34 -20.824   2.083  -3.207
  256    HB2  ALA  34           HB2      ALA  34 -21.180   0.649  -2.229
  257    HB3  ALA  34           HB3      ALA  34 -20.837   2.203  -1.433
  258    H    LEU  35           H        LEU  35 -16.542   1.277  -2.036
  259    HA   LEU  35           HA       LEU  35 -14.834   2.772  -2.063
  260    HB2  LEU  35           HB2      LEU  35 -16.415   4.131  -4.227
  261    HB3  LEU  35           HB3      LEU  35 -14.986   4.565  -3.912
  262    HG   LEU  35           HG       LEU  35 -15.320   1.600  -4.423
  263   HD11  LEU  35          HD11      LEU  35 -14.936   2.016  -6.823
  264   HD12  LEU  35          HD12      LEU  35 -15.097   3.768  -6.554
  265   HD13  LEU  35          HD13      LEU  35 -16.485   2.688  -6.290
  266   HD21  LEU  35          HD21      LEU  35 -13.040   1.797  -5.229
  267   HD22  LEU  35          HD22      LEU  35 -13.123   2.607  -3.654
  268   HD23  LEU  35          HD23      LEU  35 -13.100   3.571  -5.134
  269    HN1  NH2  36           H1       NHE  36 -17.193   3.440  -0.159
  270    HN2  NH2  36           H2       NHE  36 -16.792   5.077   0.325
  Start of MODEL    9
    1    H1   ARG   1           H1       ARG   1   7.537  11.895  -4.212
    2    H2   ARG   1           H2       ARG   1   7.251  10.385  -3.649
    3    H3   ARG   1           H3       ARG   1   8.096  10.604  -5.036
    4    HA   ARG   1           HA       ARG   1   8.991  11.470  -2.364
    5    HB2  ARG   1           HB2      ARG   1   9.810   9.043  -3.938
    6    HB3  ARG   1           HB3      ARG   1  10.893   9.673  -3.049
    7    HG2  ARG   1           HG2      ARG   1   8.353   8.615  -1.843
    8    HG3  ARG   1           HG3      ARG   1   9.725   7.901  -1.829
    9    HD2  ARG   1           HD2      ARG   1  10.635  10.117  -0.587
   10    HD3  ARG   1           HD3      ARG   1   9.175  10.547  -0.435
   11    HE   ARG   1           HE       ARG   1   9.152   7.878   0.508
   12   HH11  ARG   1          HH11      ARG   1  10.448  10.988   1.522
   13   HH12  ARG   1          HH12      ARG   1  10.706  10.433   3.152
   14   HH21  ARG   1          HH21      ARG   1   9.714   7.206   2.481
   15   HH22  ARG   1          HH22      ARG   1  10.233   8.346   3.716
   16    H    ASP   2           H        ASP   2  11.292  12.049  -2.298
   17    HA   ASP   2           HA       ASP   2  12.276  13.367  -4.790
   18    HB2  ASP   2           HB2      ASP   2  11.140  14.974  -3.148
   19    HB3  ASP   2           HB3      ASP   2  12.067  14.595  -2.025
   20    HA   PRO   3           HA       PRO   3  16.227  12.338  -2.360
   21    HB2  PRO   3           HB2      PRO   3  16.336  11.067  -0.018
   22    HB3  PRO   3           HB3      PRO   3  16.051  12.555  -0.082
   23    HG2  PRO   3           HG2      PRO   3  13.820  10.640   0.409
   24    HG3  PRO   3           HG3      PRO   3  14.077  11.906   1.086
   25    HD2  PRO   3           HD2      PRO   3  12.399  12.262  -0.993
   26    HD3  PRO   3           HD3      PRO   3  13.372  13.381  -0.607
   27    H    LEU   4           H        LEU   4  13.715   9.854  -2.255
   28    HA   LEU   4           HA       LEU   4  13.571   7.699  -2.884
   29    HB2  LEU   4           HB2      LEU   4  14.200   9.335  -5.105
   30    HB3  LEU   4           HB3      LEU   4  15.107   8.169  -5.390
   31    HG   LEU   4           HG       LEU   4  12.126   7.797  -4.834
   32   HD11  LEU   4          HD11      LEU   4  12.597   8.993  -6.939
   33   HD12  LEU   4          HD12      LEU   4  11.943   7.377  -7.250
   34   HD13  LEU   4          HD13      LEU   4  13.684   7.682  -7.449
   35   HD21  LEU   4          HD21      LEU   4  14.140   5.764  -5.875
   36   HD22  LEU   4          HD22      LEU   4  12.382   5.524  -5.755
   37   HD23  LEU   4          HD23      LEU   4  13.346   5.725  -4.288
   38    H    LEU   5           H        LEU   5  15.886   8.001  -1.161
   39    HA   LEU   5           HA       LEU   5  18.132   6.529  -2.163
   40    HB2  LEU   5           HB2      LEU   5  17.396   6.980   0.721
   41    HB3  LEU   5           HB3      LEU   5  18.762   6.402   0.282
   42    HG   LEU   5           HG       LEU   5  17.859   9.164  -0.639
   43   HD11  LEU   5          HD11      LEU   5  18.188   9.047   1.797
   44   HD12  LEU   5          HD12      LEU   5  19.454  10.010   1.022
   45   HD13  LEU   5          HD13      LEU   5  19.805   8.348   1.554
   46   HD21  LEU   5          HD21      LEU   5  19.523   8.231  -2.181
   47   HD22  LEU   5          HD22      LEU   5  20.567   7.770  -0.816
   48   HD23  LEU   5          HD23      LEU   5  20.266   9.483  -1.186
   49    H    ASP   6           H        ASP   6  15.270   5.411  -0.394
   50    HA   ASP   6           HA       ASP   6  15.929   2.613  -1.147
   51    HB2  ASP   6           HB2      ASP   6  16.700   3.325   1.325
   52    HB3  ASP   6           HB3      ASP   6  15.242   3.367   1.719
   53    H    ALA   7           H        ALA   7  13.624   4.945  -1.221
   54    HA   ALA   7           HA       ALA   7  11.252   3.842  -0.220
   55    HB1  ALA   7           HB1      ALA   7  10.134   5.407  -1.733
   56    HB2  ALA   7           HB2      ALA   7  11.521   6.168  -0.935
   57    HB3  ALA   7           HB3      ALA   7  11.641   5.650  -2.636
   58    H    NLE   8           H        NLE   8  12.809   3.213  -3.352
   59    HA   NLE   8           HA       NLE   8  10.735   1.883  -4.656
   60    HB2  NLE   8           HB2      NLE   8  12.271   1.154  -6.225
   61    HB3  NLE   8           HB3      NLE   8  12.898   2.684  -5.661
   62    HG2  NLE   8           HG2      NLE   8  13.904  -0.104  -4.911
   63    HG3  NLE   8           HG3      NLE   8  14.651   0.994  -6.051
   64    HD2  NLE   8           HD2      NLE   8  14.453   1.450  -3.045
   65    HD3  NLE   8           HD3      NLE   8  15.868   0.903  -3.934
   66    HE1  NLE   8           HE1      NLE   8  16.119   3.265  -3.485
   67    HE2  NLE   8           HE2      NLE   8  15.871   3.054  -5.227
   68    HE3  NLE   8           HE3      NLE   8  14.540   3.630  -4.196
   69    H    ARG   9           H        ARG   9  12.593   0.650  -2.001
   70    HA   ARG   9           HA       ARG   9  11.514  -2.129  -2.398
   71    HB2  ARG   9           HB2      ARG   9  13.419  -1.319  -0.231
   72    HB3  ARG   9           HB3      ARG   9  12.947  -2.765  -0.532
   73    HG2  ARG   9           HG2      ARG   9  14.073  -2.390  -2.939
   74    HG3  ARG   9           HG3      ARG   9  14.685  -1.108  -2.404
   75    HD2  ARG   9           HD2      ARG   9  15.400  -3.796  -1.230
   76    HD3  ARG   9           HD3      ARG   9  16.323  -2.873  -2.038
   77    HE   ARG   9           HE       ARG   9  15.986  -1.099  -0.143
   78   HH11  ARG   9          HH11      ARG   9  16.168  -4.547   0.501
   79   HH12  ARG   9          HH12      ARG   9  16.467  -4.279   2.197
   80   HH21  ARG   9          HH21      ARG   9  16.189  -0.840   1.954
   81   HH22  ARG   9          HH22      ARG   9  16.539  -2.203   3.006
   82    H    ARG  10           H        ARG  10  11.863   0.219   0.277
   83    HA   ARG  10           HA       ARG  10  10.029  -1.196   1.946
   84    HB2  ARG  10           HB2      ARG  10  10.672   0.444   3.559
   85    HB3  ARG  10           HB3      ARG  10  11.937   0.121   2.737
   86    HG2  ARG  10           HG2      ARG  10  11.045   2.332   1.315
   87    HG3  ARG  10           HG3      ARG  10  10.302   2.662   2.592
   88    HD2  ARG  10           HD2      ARG  10  13.314   2.378   2.545
   89    HD3  ARG  10           HD3      ARG  10  12.535   3.714   2.604
   90    HE   ARG  10           HE       ARG  10  11.593   3.064   4.832
   91   HH11  ARG  10          HH11      ARG  10  14.570   1.386   3.821
   92   HH12  ARG  10          HH12      ARG  10  15.037   1.160   5.481
   93   HH21  ARG  10          HH21      ARG  10  12.301   2.674   6.873
   94   HH22  ARG  10          HH22      ARG  10  13.804   1.841   7.138
   95    H    GLU  11           H        GLU  11   9.465   1.718  -0.005
   96    HA   GLU  11           HA       GLU  11   6.614   1.816   0.874
   97    HB2  GLU  11           HB2      GLU  11   8.134   3.754  -0.858
   98    HB3  GLU  11           HB3      GLU  11   6.629   3.874  -0.654
   99    HG2  GLU  11           HG2      GLU  11   6.806   4.251   1.762
  100    HG3  GLU  11           HG3      GLU  11   8.155   3.570   1.929
  101    H    GLY  12           H        GLY  12   8.605   0.973  -1.948
  102    HA2  GLY  12           HA2      GLY  12   6.605   0.388  -3.856
  103    HA3  GLY  12           HA3      GLY  12   8.122  -0.501  -3.651
  104    H    ALA  13           H        ALA  13   7.786  -1.707  -1.149
  105    HA   ALA  13           HA       ALA  13   6.002  -3.875  -1.609
  106    HB1  ALA  13           HB1      ALA  13   8.023  -4.039  -0.232
  107    HB2  ALA  13           HB2      ALA  13   7.327  -2.917   0.961
  108    HB3  ALA  13           HB3      ALA  13   6.591  -4.513   0.700
  109    H    NLE  14           H        NLE  14   5.611  -1.040   0.588
  110    HA   NLE  14           HA       NLE  14   3.048  -1.768   1.585
  111    HB2  NLE  14           HB2      NLE  14   4.370   0.945   1.272
  112    HB3  NLE  14           HB3      NLE  14   2.807   0.702   2.064
  113    HG2  NLE  14           HG2      NLE  14   3.851  -0.911   3.646
  114    HG3  NLE  14           HG3      NLE  14   5.432  -0.581   2.944
  115    HD2  NLE  14           HD2      NLE  14   3.638   1.467   4.324
  116    HD3  NLE  14           HD3      NLE  14   5.014   0.644   5.061
  117    HE1  NLE  14           HE1      NLE  14   6.541   1.708   3.403
  118    HE2  NLE  14           HE2      NLE  14   5.153   2.597   2.723
  119    HE3  NLE  14           HE3      NLE  14   5.667   2.891   4.392
  120    H    ASP  15           H        ASP  15   3.931  -0.011  -1.387
  121    HA   ASP  15           HA       ASP  15   1.305   0.734  -2.185
  122    HB2  ASP  15           HB2      ASP  15   3.634   1.455  -3.157
  123    HB3  ASP  15           HB3      ASP  15   3.723   0.158  -3.929
  124    H    PHE  16           H        PHE  16   2.703  -2.466  -2.205
  125    HA   PHE  16           HA       PHE  16   0.321  -3.389  -3.761
  126    HB2  PHE  16           HB2      PHE  16   1.547  -5.180  -4.645
  127    HB3  PHE  16           HB3      PHE  16   2.256  -3.848  -5.047
  128    HD1  PHE  16           HD1      PHE  16   2.532  -6.441  -2.287
  129    HD2  PHE  16           HD2      PHE  16   4.582  -3.802  -5.016
  130    HE1  PHE  16           HE1      PHE  16   4.703  -7.425  -1.612
  131    HE2  PHE  16           HE2      PHE  16   6.748  -4.820  -4.368
  132    HZ   PHE  16           HZ       PHE  16   6.815  -6.632  -2.663
  133    H    TRP  17           H        TRP  17   1.836  -3.581  -0.635
  134    HA   TRP  17           HA       TRP  17   0.093  -5.700   0.358
  135    HB2  TRP  17           HB2      TRP  17   2.000  -4.737   1.707
  136    HB3  TRP  17           HB3      TRP  17   1.420  -3.306   1.672
  137    HD1  TRP  17           HD1      TRP  17   0.056  -2.528   3.655
  138    HE1  TRP  17           HE1      TRP  17  -1.214  -3.610   5.606
  139    HE3  TRP  17           HE3      TRP  17   0.465  -7.447   2.263
  140    HZ2  TRP  17           HZ2      TRP  17  -1.943  -6.264   6.465
  141    HZ3  TRP  17           HZ3      TRP  17  -0.517  -9.234   3.683
  142    HH2  TRP  17           HH2      TRP  17  -1.690  -8.659   5.795
  143    H    SER  18           H        SER  18  -0.212  -2.107   0.299
  144    HA   SER  18           HA       SER  18  -2.856  -2.016   1.338
  145    HB2  SER  18           HB2      SER  18  -2.717   0.375   0.676
  146    HB3  SER  18           HB3      SER  18  -1.422  -0.073   1.383
  147    HG   SER  18           HG       SER  18  -0.301  -0.128  -0.485
  148    H    ALA  19           H        ALA  19  -1.858  -2.825  -1.898
  149    HA   ALA  19           HA       ALA  19  -4.293  -2.283  -3.290
  150    HB1  ALA  19           HB1      ALA  19  -2.109  -2.759  -4.366
  151    HB2  ALA  19           HB2      ALA  19  -2.203  -4.443  -3.794
  152    HB3  ALA  19           HB3      ALA  19  -3.390  -3.829  -4.958
  153    H    GLY  20           H        GLY  20  -3.657  -4.671  -0.865
  154    HA2  GLY  20           HA2      GLY  20  -6.344  -5.916  -1.358
  155    HA3  GLY  20           HA3      GLY  20  -4.921  -6.918  -1.071
  156    H    ABA  21           H        ABU  21  -3.918  -4.896   0.947
  157    HA   ABA  21           HA       ABU  21  -3.754  -4.808   3.183
  158    HB3  ABA  21           HB3      ABU  21  -6.561  -3.697   2.896
  159    HB2  ABA  21           HB2      ABU  21  -5.090  -2.859   2.392
  160    HG1  ABA  21           HG1      ABU  21  -5.777  -2.083   4.601
  161    HG3  ABA  21           HG3      ABU  21  -4.229  -2.944   4.721
  162    HG2  ABA  21           HG2      ABU  21  -5.736  -3.736   5.241
  163    H    TYR  22           H        TYR  22  -3.516  -6.882   3.890
  164    HA   TYR  22           HA       TYR  22  -3.871  -8.796   5.000
  165    HB2  TYR  22           HB2      TYR  22  -6.671  -8.152   5.739
  166    HB3  TYR  22           HB3      TYR  22  -5.771  -9.265   6.383
  167    HD1  TYR  22           HD1      TYR  22  -3.584  -8.638   7.627
  168    HD2  TYR  22           HD2      TYR  22  -6.750  -5.857   6.699
  169    HE1  TYR  22           HE1      TYR  22  -2.829  -7.153   9.485
  170    HE2  TYR  22           HE2      TYR  22  -6.004  -4.383   8.561
  171    HH   TYR  22           HH       TYR  22  -4.515  -4.090  10.279
  172    H    ALA  23           H        ALA  23  -4.558  -8.374   2.110
  173    HA   ALA  23           HA       ALA  23  -5.586  -9.338   0.330
  174    HB1  ALA  23           HB1      ALA  23  -5.313 -11.755   0.151
  175    HB2  ALA  23           HB2      ALA  23  -3.889 -11.022   0.912
  176    HB3  ALA  23           HB3      ALA  23  -5.080 -11.889   1.907
  177    H    ARG  24           H        ARG  24  -7.360  -8.148   1.827
  178    HA   ARG  24           HA       ARG  24  -9.778  -9.875   2.235
  179    HB2  ARG  24           HB2      ARG  24  -8.611  -9.147   4.254
  180    HB3  ARG  24           HB3      ARG  24  -8.474  -7.630   3.794
  181    HG2  ARG  24           HG2      ARG  24 -10.175  -7.669   5.475
  182    HG3  ARG  24           HG3      ARG  24 -10.738  -7.094   4.183
  183    HD2  ARG  24           HD2      ARG  24 -11.740  -9.548   3.744
  184    HD3  ARG  24           HD3      ARG  24 -11.197  -9.956   5.122
  185    HE   ARG  24           HE       ARG  24 -12.915  -8.832   6.200
  186   HH11  ARG  24          HH11      ARG  24 -12.639  -7.400   2.998
  187   HH12  ARG  24          HH12      ARG  24 -14.094  -6.447   3.208
  188   HH21  ARG  24          HH21      ARG  24 -14.737  -7.521   6.394
  189   HH22  ARG  24          HH22      ARG  24 -15.191  -6.495   5.058
  190    H    GLY  25           H        GLY  25  -8.792  -7.999  -0.063
  191    HA2  GLY  25           HA2      GLY  25  -9.992  -6.974  -1.763
  192    HA3  GLY  25           HA3      GLY  25 -11.457  -7.041  -0.781
  193    H    VAL  26           H        VAL  26  -8.563  -5.556   0.526
  194    HA   VAL  26           HA       VAL  26  -8.283  -3.547   1.511
  195    HB   VAL  26           HB       VAL  26  -7.152  -3.256  -0.479
  196   HG11  VAL  26          HG11      VAL  26  -9.635  -2.111  -1.796
  197   HG12  VAL  26          HG12      VAL  26  -7.984  -2.040  -2.445
  198   HG13  VAL  26          HG13      VAL  26  -8.774  -3.602  -2.232
  199   HG21  VAL  26          HG21      VAL  26  -8.584  -0.651   0.111
  200   HG22  VAL  26          HG22      VAL  26  -7.265  -1.350   1.088
  201   HG23  VAL  26          HG23      VAL  26  -6.978  -0.860  -0.587
  202    HA   PRO  27           HA       PRO  27 -12.691  -3.284   2.624
  203    HB2  PRO  27           HB2      PRO  27 -11.677  -2.042   5.128
  204    HB3  PRO  27           HB3      PRO  27 -12.789  -2.976   4.965
  205    HG2  PRO  27           HG2      PRO  27 -10.608  -4.395   5.444
  206    HG3  PRO  27           HG3      PRO  27 -11.550  -4.933   4.389
  207    HD2  PRO  27           HD2      PRO  27  -9.003  -3.645   3.556
  208    HD3  PRO  27           HD3      PRO  27  -9.712  -4.825   2.966
  209    H    LEU  28           H        LEU  28 -10.647  -0.337   3.038
  210    HA   LEU  28           HA       LEU  28 -12.842   1.479   2.980
  211    HB2  LEU  28           HB2      LEU  28 -11.187   3.165   2.923
  212    HB3  LEU  28           HB3      LEU  28 -10.853   2.116   4.060
  213    HG   LEU  28           HG       LEU  28  -8.876   3.000   2.975
  214   HD11  LEU  28          HD11      LEU  28  -7.578   1.014   2.759
  215   HD12  LEU  28          HD12      LEU  28  -8.994   0.020   2.416
  216   HD13  LEU  28          HD13      LEU  28  -8.778   0.750   4.031
  217   HD21  LEU  28          HD21      LEU  28  -9.734   3.197   0.653
  218   HD22  LEU  28          HD22      LEU  28  -9.581   1.436   0.478
  219   HD23  LEU  28          HD23      LEU  28  -8.144   2.425   0.770
  220    H    SER  29           H        SER  29 -11.655  -0.271   0.366
  221    HA   SER  29           HA       SER  29 -13.206   1.411  -1.547
  222    HB2  SER  29           HB2      SER  29 -10.546   0.158  -2.279
  223    HB3  SER  29           HB3      SER  29 -11.533   0.769  -3.306
  224    HG   SER  29           HG       SER  29  -9.961   2.277  -2.593
  225    H    GLU  30           H        GLU  30 -13.294  -1.431   0.011
  226    HA   GLU  30           HA       GLU  30 -13.765  -3.405  -2.000
  227    HB2  GLU  30           HB2      GLU  30 -13.598  -3.491   0.702
  228    HB3  GLU  30           HB3      GLU  30 -15.120  -3.246   0.686
  229    HG2  GLU  30           HG2      GLU  30 -15.135  -5.391  -0.970
  230    HG3  GLU  30           HG3      GLU  30 -13.701  -5.640  -0.515
  231    HA   PRO  31           HA       PRO  31 -17.621  -1.969  -3.743
  232    HB2  PRO  31           HB2      PRO  31 -18.646  -4.732  -4.019
  233    HB3  PRO  31           HB3      PRO  31 -18.655  -3.650  -5.006
  234    HG2  PRO  31           HG2      PRO  31 -16.489  -5.126  -5.395
  235    HG3  PRO  31           HG3      PRO  31 -16.334  -3.627  -5.549
  236    HD2  PRO  31           HD2      PRO  31 -15.278  -4.963  -3.105
  237    HD3  PRO  31           HD3      PRO  31 -14.700  -3.835  -3.909
  238    HA   PRO  32           HA       PRO  32 -20.871  -3.391  -0.422
  239    HB2  PRO  32           HB2      PRO  32 -19.413  -4.363   1.930
  240    HB3  PRO  32           HB3      PRO  32 -20.668  -4.860   1.375
  241    HG2  PRO  32           HG2      PRO  32 -18.699  -6.438   0.549
  242    HG3  PRO  32           HG3      PRO  32 -19.766  -6.114  -0.460
  243    HD2  PRO  32           HD2      PRO  32 -17.157  -4.609  -0.562
  244    HD3  PRO  32           HD3      PRO  32 -17.863  -5.305  -1.654
  245    H    GLN  33           H        GLN  33 -17.813  -1.774   0.252
  246    HA   GLN  33           HA       GLN  33 -19.156   0.265   1.983
  247    HB2  GLN  33           HB2      GLN  33 -16.227  -0.156   1.481
  248    HB3  GLN  33           HB3      GLN  33 -16.769   1.121   2.208
  249    HG2  GLN  33           HG2      GLN  33 -16.445  -0.174   4.109
  250    HG3  GLN  33           HG3      GLN  33 -17.950  -0.287   3.965
  251   HE21  GLN  33          HE21      GLN  33 -15.047  -2.064   2.809
  252   HE22  GLN  33          HE22      GLN  33 -15.745  -3.675   2.951
  253    H    ALA  34           H        ALA  34 -18.511  -0.277  -1.277
  254    HA   ALA  34           HA       ALA  34 -18.292   0.986  -3.137
  255    HB1  ALA  34           HB1      ALA  34 -20.219   2.457  -3.423
  256    HB2  ALA  34           HB2      ALA  34 -20.669   1.003  -2.517
  257    HB3  ALA  34           HB3      ALA  34 -20.442   2.546  -1.661
  258    H    LEU  35           H        LEU  35 -16.161   1.698  -1.564
  259    HA   LEU  35           HA       LEU  35 -14.486   3.183  -1.285
  260    HB2  LEU  35           HB2      LEU  35 -15.594   4.615  -3.660
  261    HB3  LEU  35           HB3      LEU  35 -14.194   4.970  -3.004
  262    HG   LEU  35           HG       LEU  35 -13.295   2.691  -3.449
  263   HD11  LEU  35          HD11      LEU  35 -14.399   1.379  -5.288
  264   HD12  LEU  35          HD12      LEU  35 -15.861   2.367  -5.068
  265   HD13  LEU  35          HD13      LEU  35 -15.270   1.300  -3.768
  266   HD21  LEU  35          HD21      LEU  35 -12.933   3.135  -5.838
  267   HD22  LEU  35          HD22      LEU  35 -12.847   4.629  -4.898
  268   HD23  LEU  35          HD23      LEU  35 -14.305   4.267  -5.849
  269    HN1  NH2  36           H1       NHE  36 -17.210   3.825   0.101
  270    HN2  NH2  36           H2       NHE  36 -16.918   5.451   0.688
  Start of MODEL   10
    1    H1   ARG   1           H1       ARG   1   7.859  11.458  -4.660
    2    H2   ARG   1           H2       ARG   1   7.452  10.055  -3.929
    3    H3   ARG   1           H3       ARG   1   8.368  10.035  -5.285
    4    HA   ARG   1           HA       ARG   1   9.211  11.178  -2.693
    5    HB2  ARG   1           HB2      ARG   1   9.944   8.539  -3.926
    6    HB3  ARG   1           HB3      ARG   1  11.007   9.223  -3.036
    7    HG2  ARG   1           HG2      ARG   1   8.335   8.448  -1.898
    8    HG3  ARG   1           HG3      ARG   1   9.644   7.632  -1.752
    9    HD2  ARG   1           HD2      ARG   1  10.631   9.956  -0.695
   10    HD3  ARG   1           HD3      ARG   1   9.175  10.384  -0.568
   11    HE   ARG   1           HE       ARG   1   9.127   7.785   0.525
   12   HH11  ARG   1          HH11      ARG   1  10.578  10.877   1.359
   13   HH12  ARG   1          HH12      ARG   1  10.896  10.373   2.995
   14   HH21  ARG   1          HH21      ARG   1   9.742   7.165   2.493
   15   HH22  ARG   1          HH22      ARG   1  10.370   8.323   3.660
   16    H    ASP   2           H        ASP   2  10.454  12.905  -3.040
   17    HA   ASP   2           HA       ASP   2  11.991  13.292  -5.469
   18    HB2  ASP   2           HB2      ASP   2  11.005  15.138  -3.982
   19    HB3  ASP   2           HB3      ASP   2  11.942  14.827  -2.852
   20    HA   PRO   3           HA       PRO   3  15.904  12.491  -2.925
   21    HB2  PRO   3           HB2      PRO   3  16.032  11.600  -0.429
   22    HB3  PRO   3           HB3      PRO   3  15.623  13.037  -0.705
   23    HG2  PRO   3           HG2      PRO   3  13.546  11.018   0.006
   24    HG3  PRO   3           HG3      PRO   3  13.685  12.377   0.517
   25    HD2  PRO   3           HD2      PRO   3  12.042  12.313  -1.633
   26    HD3  PRO   3           HD3      PRO   3  12.886  13.554  -1.344
   27    H    LEU   4           H        LEU   4  13.499   9.934  -2.544
   28    HA   LEU   4           HA       LEU   4  13.466   7.706  -2.890
   29    HB2  LEU   4           HB2      LEU   4  14.084   9.096  -5.272
   30    HB3  LEU   4           HB3      LEU   4  15.063   7.960  -5.393
   31    HG   LEU   4           HG       LEU   4  12.084   7.497  -4.892
   32   HD11  LEU   4          HD11      LEU   4  12.584   8.460  -7.104
   33   HD12  LEU   4          HD12      LEU   4  12.023   6.786  -7.247
   34   HD13  LEU   4          HD13      LEU   4  13.754   7.159  -7.418
   35   HD21  LEU   4          HD21      LEU   4  14.232   5.460  -5.607
   36   HD22  LEU   4          HD22      LEU   4  12.483   5.148  -5.527
   37   HD23  LEU   4          HD23      LEU   4  13.370   5.567  -4.057
   38    H    LEU   5           H        LEU   5  15.686   8.270  -1.130
   39    HA   LEU   5           HA       LEU   5  18.049   6.868  -1.927
   40    HB2  LEU   5           HB2      LEU   5  17.210   7.497   0.889
   41    HB3  LEU   5           HB3      LEU   5  18.629   7.008   0.516
   42    HG   LEU   5           HG       LEU   5  17.502   9.606  -0.606
   43   HD11  LEU   5          HD11      LEU   5  17.854   9.678   1.832
   44   HD12  LEU   5          HD12      LEU   5  19.023  10.696   0.980
   45   HD13  LEU   5          HD13      LEU   5  19.525   9.111   1.614
   46   HD21  LEU   5          HD21      LEU   5  19.228   8.724  -2.102
   47   HD22  LEU   5          HD22      LEU   5  20.315   8.434  -0.723
   48   HD23  LEU   5          HD23      LEU   5  19.873  10.090  -1.194
   49    H    ASP   6           H        ASP   6  15.228   5.698  -0.120
   50    HA   ASP   6           HA       ASP   6  16.124   2.898  -0.579
   51    HB2  ASP   6           HB2      ASP   6  16.754   3.907   1.822
   52    HB3  ASP   6           HB3      ASP   6  15.280   3.883   2.170
   53    H    ALA   7           H        ALA   7  13.643   5.035  -0.909
   54    HA   ALA   7           HA       ALA   7  11.349   3.809   0.140
   55    HB1  ALA   7           HB1      ALA   7  10.147   5.198  -1.495
   56    HB2  ALA   7           HB2      ALA   7  11.450   6.107  -0.706
   57    HB3  ALA   7           HB3      ALA   7  11.658   5.506  -2.371
   58    H    NLE   8           H        NLE   8  13.027   3.096  -2.908
   59    HA   NLE   8           HA       NLE   8  11.057   1.626  -4.209
   60    HB2  NLE   8           HB2      NLE   8  12.680   0.865  -5.684
   61    HB3  NLE   8           HB3      NLE   8  13.210   2.455  -5.190
   62    HG2  NLE   8           HG2      NLE   8  14.324  -0.227  -4.234
   63    HG3  NLE   8           HG3      NLE   8  15.055   0.832  -5.421
   64    HD2  NLE   8           HD2      NLE   8  14.740   1.462  -2.457
   65    HD3  NLE   8           HD3      NLE   8  16.208   0.944  -3.276
   66    HE1  NLE   8           HE1      NLE   8  16.322   3.337  -2.967
   67    HE2  NLE   8           HE2      NLE   8  16.123   3.013  -4.698
   68    HE3  NLE   8           HE3      NLE   8  14.741   3.574  -3.728
   69    H    ARG   9           H        ARG   9  12.886   0.566  -1.454
   70    HA   ARG   9           HA       ARG   9  12.022  -2.285  -1.785
   71    HB2  ARG   9           HB2      ARG   9  13.578  -1.215   0.544
   72    HB3  ARG   9           HB3      ARG   9  13.296  -2.705   0.250
   73    HG2  ARG   9           HG2      ARG   9  14.643  -2.294  -2.029
   74    HG3  ARG   9           HG3      ARG   9  15.050  -0.930  -1.498
   75    HD2  ARG   9           HD2      ARG   9  15.909  -3.470  -0.107
   76    HD3  ARG   9           HD3      ARG   9  16.813  -2.500  -0.891
   77    HE   ARG   9           HE       ARG   9  16.249  -0.675   0.826
   78   HH11  ARG   9          HH11      ARG   9  16.283  -4.057   1.780
   79   HH12  ARG   9          HH12      ARG   9  16.401  -3.647   3.470
   80   HH21  ARG   9          HH21      ARG   9  16.239  -0.239   2.923
   81   HH22  ARG   9          HH22      ARG   9  16.431  -1.522   4.105
   82    H    ARG  10           H        ARG  10  11.868   0.176   0.781
   83    HA   ARG  10           HA       ARG  10   9.917  -1.298   2.286
   84    HB2  ARG  10           HB2      ARG  10  10.308   0.430   3.914
   85    HB3  ARG  10           HB3      ARG  10  11.670   0.012   3.301
   86    HG2  ARG  10           HG2      ARG  10  11.032   2.222   1.688
   87    HG3  ARG  10           HG3      ARG  10  10.228   2.628   2.897
   88    HD2  ARG  10           HD2      ARG  10  13.210   2.123   3.096
   89    HD3  ARG  10           HD3      ARG  10  12.547   3.512   3.042
   90    HE   ARG  10           HE       ARG  10  11.255   2.756   5.205
   91   HH11  ARG  10          HH11      ARG  10  14.613   1.849   4.484
   92   HH12  ARG  10          HH12      ARG  10  14.999   1.780   6.183
   93   HH21  ARG  10          HH21      ARG  10  11.868   2.587   7.316
   94   HH22  ARG  10          HH22      ARG  10  13.503   2.163   7.723
   95    H    GLU  11           H        GLU  11   9.519   1.703   0.384
   96    HA   GLU  11           HA       GLU  11   6.602   1.732   0.915
   97    HB2  GLU  11           HB2      GLU  11   8.236   3.609  -0.779
   98    HB3  GLU  11           HB3      GLU  11   6.723   3.720  -0.686
   99    HG2  GLU  11           HG2      GLU  11   6.721   4.186   1.725
  100    HG3  GLU  11           HG3      GLU  11   8.070   3.541   2.011
  101    H    GLY  12           H        GLY  12   8.855   0.728  -1.625
  102    HA2  GLY  12           HA2      GLY  12   7.057  -0.010  -3.683
  103    HA3  GLY  12           HA3      GLY  12   8.553  -0.859  -3.268
  104    H    ALA  13           H        ALA  13   7.984  -1.907  -0.735
  105    HA   ALA  13           HA       ALA  13   6.227  -4.103  -1.245
  106    HB1  ALA  13           HB1      ALA  13   8.155  -4.214   0.274
  107    HB2  ALA  13           HB2      ALA  13   7.372  -3.062   1.380
  108    HB3  ALA  13           HB3      ALA  13   6.657  -4.666   1.109
  109    H    NLE  14           H        NLE  14   5.722  -1.156   0.758
  110    HA   NLE  14           HA       NLE  14   3.116  -1.769   1.683
  111    HB2  NLE  14           HB2      NLE  14   4.434   0.906   1.108
  112    HB3  NLE  14           HB3      NLE  14   2.872   0.736   1.914
  113    HG2  NLE  14           HG2      NLE  14   3.842  -0.487   3.762
  114    HG3  NLE  14           HG3      NLE  14   5.410  -0.587   2.959
  115    HD2  NLE  14           HD2      NLE  14   5.574   1.922   3.024
  116    HD3  NLE  14           HD3      NLE  14   4.050   1.964   3.931
  117    HE1  NLE  14           HE1      NLE  14   5.104   0.604   5.734
  118    HE2  NLE  14           HE2      NLE  14   6.629   0.586   4.816
  119    HE3  NLE  14           HE3      NLE  14   5.990   2.118   5.447
  120    H    ASP  15           H        ASP  15   4.124  -0.294  -1.404
  121    HA   ASP  15           HA       ASP  15   1.557   0.386  -2.398
  122    HB2  ASP  15           HB2      ASP  15   3.945   0.948  -3.334
  123    HB3  ASP  15           HB3      ASP  15   4.027  -0.427  -3.965
  124    H    PHE  16           H        PHE  16   2.870  -2.821  -2.010
  125    HA   PHE  16           HA       PHE  16   0.540  -3.861  -3.565
  126    HB2  PHE  16           HB2      PHE  16   1.782  -5.740  -4.247
  127    HB3  PHE  16           HB3      PHE  16   2.487  -4.447  -4.763
  128    HD1  PHE  16           HD1      PHE  16   2.729  -6.799  -1.801
  129    HD2  PHE  16           HD2      PHE  16   4.814  -4.315  -4.649
  130    HE1  PHE  16           HE1      PHE  16   4.899  -7.688  -0.995
  131    HE2  PHE  16           HE2      PHE  16   6.977  -5.240  -3.868
  132    HZ   PHE  16           HZ       PHE  16   7.027  -6.928  -2.038
  133    H    TRP  17           H        TRP  17   1.870  -3.709  -0.381
  134    HA   TRP  17           HA       TRP  17   0.047  -5.745   0.693
  135    HB2  TRP  17           HB2      TRP  17   1.885  -4.683   2.081
  136    HB3  TRP  17           HB3      TRP  17   1.317  -3.262   1.899
  137    HD1  TRP  17           HD1      TRP  17  -0.186  -2.346   3.726
  138    HE1  TRP  17           HE1      TRP  17  -1.608  -3.289   5.643
  139    HE3  TRP  17           HE3      TRP  17   0.282  -7.349   2.700
  140    HZ2  TRP  17           HZ2      TRP  17  -2.430  -5.880   6.618
  141    HZ3  TRP  17           HZ3      TRP  17  -0.825  -9.032   4.154
  142    HH2  TRP  17           HH2      TRP  17  -2.149  -8.312   6.127
  143    H    SER  18           H        SER  18  -0.158  -2.174   0.271
  144    HA   SER  18           HA       SER  18  -2.869  -1.919   1.095
  145    HB2  SER  18           HB2      SER  18  -2.601   0.392   0.217
  146    HB3  SER  18           HB3      SER  18  -1.377  -0.019   1.067
  147    HG   SER  18           HG       SER  18  -0.121  -0.294  -0.698
  148    H    ALA  19           H        ALA  19  -1.687  -3.149  -1.914
  149    HA   ALA  19           HA       ALA  19  -3.972  -2.655  -3.566
  150    HB1  ALA  19           HB1      ALA  19  -1.746  -3.344  -4.402
  151    HB2  ALA  19           HB2      ALA  19  -1.952  -4.938  -3.632
  152    HB3  ALA  19           HB3      ALA  19  -3.023  -4.441  -4.956
  153    H    GLY  20           H        GLY  20  -3.696  -4.721  -0.805
  154    HA2  GLY  20           HA2      GLY  20  -6.399  -5.856  -1.358
  155    HA3  GLY  20           HA3      GLY  20  -5.067  -6.978  -1.082
  156    H    ABA  21           H        ABU  21  -3.925  -5.043   0.986
  157    HA   ABA  21           HA       ABU  21  -3.785  -5.013   3.225
  158    HB3  ABA  21           HB3      ABU  21  -6.530  -3.761   2.929
  159    HB2  ABA  21           HB2      ABU  21  -5.009  -2.983   2.481
  160    HG1  ABA  21           HG1      ABU  21  -5.701  -2.235   4.696
  161    HG3  ABA  21           HG3      ABU  21  -4.205  -3.180   4.824
  162    HG2  ABA  21           HG2      ABU  21  -5.763  -3.903   5.288
  163    H    TYR  22           H        TYR  22  -3.643  -7.068   3.983
  164    HA   TYR  22           HA       TYR  22  -4.108  -9.027   4.962
  165    HB2  TYR  22           HB2      TYR  22  -6.857  -8.212   5.754
  166    HB3  TYR  22           HB3      TYR  22  -6.053  -9.425   6.332
  167    HD1  TYR  22           HD1      TYR  22  -4.020  -9.160   7.780
  168    HD2  TYR  22           HD2      TYR  22  -6.534  -5.849   6.627
  169    HE1  TYR  22           HE1      TYR  22  -3.131  -7.818   9.686
  170    HE2  TYR  22           HE2      TYR  22  -5.649  -4.510   8.531
  171    HH   TYR  22           HH       TYR  22  -4.251  -4.476  10.348
  172    H    ALA  23           H        ALA  23  -4.784  -8.463   2.101
  173    HA   ALA  23           HA       ALA  23  -5.881  -9.285   0.294
  174    HB1  ALA  23           HB1      ALA  23  -5.749 -11.703   0.013
  175    HB2  ALA  23           HB2      ALA  23  -4.283 -11.087   0.796
  176    HB3  ALA  23           HB3      ALA  23  -5.521 -11.924   1.761
  177    H    ARG  24           H        ARG  24  -7.582  -8.068   1.896
  178    HA   ARG  24           HA       ARG  24 -10.090  -9.682   2.193
  179    HB2  ARG  24           HB2      ARG  24  -8.924  -8.984   4.244
  180    HB3  ARG  24           HB3      ARG  24  -8.780  -7.468   3.798
  181    HG2  ARG  24           HG2      ARG  24 -10.522  -7.545   5.447
  182    HG3  ARG  24           HG3      ARG  24 -11.036  -6.921   4.155
  183    HD2  ARG  24           HD2      ARG  24 -12.056  -9.351   3.612
  184    HD3  ARG  24           HD3      ARG  24 -11.571  -9.801   4.997
  185    HE   ARG  24           HE       ARG  24 -13.313  -8.680   6.038
  186   HH11  ARG  24          HH11      ARG  24 -12.887  -7.159   2.894
  187   HH12  ARG  24          HH12      ARG  24 -14.318  -6.165   3.089
  188   HH21  ARG  24          HH21      ARG  24 -15.108  -7.328   6.210
  189   HH22  ARG  24          HH22      ARG  24 -15.492  -6.256   4.888
  190    H    GLY  25           H        GLY  25  -8.974  -7.836  -0.068
  191    HA2  GLY  25           HA2      GLY  25 -10.091  -6.748  -1.791
  192    HA3  GLY  25           HA3      GLY  25 -11.575  -6.735  -0.835
  193    H    VAL  26           H        VAL  26  -8.653  -5.442   0.580
  194    HA   VAL  26           HA       VAL  26  -8.329  -3.472   1.636
  195    HB   VAL  26           HB       VAL  26  -7.038  -3.234  -0.257
  196   HG11  VAL  26          HG11      VAL  26  -9.338  -1.920  -1.737
  197   HG12  VAL  26          HG12      VAL  26  -7.643  -1.957  -2.265
  198   HG13  VAL  26          HG13      VAL  26  -8.551  -3.462  -2.126
  199   HG21  VAL  26          HG21      VAL  26  -8.340  -0.547   0.256
  200   HG22  VAL  26          HG22      VAL  26  -7.158  -1.341   1.332
  201   HG23  VAL  26          HG23      VAL  26  -6.699  -0.856  -0.307
  202    HA   PRO  27           HA       PRO  27 -12.762  -3.011   2.435
  203    HB2  PRO  27           HB2      PRO  27 -11.906  -1.811   5.017
  204    HB3  PRO  27           HB3      PRO  27 -13.030  -2.705   4.767
  205    HG2  PRO  27           HG2      PRO  27 -10.939  -4.200   5.390
  206    HG3  PRO  27           HG3      PRO  27 -11.819  -4.701   4.266
  207    HD2  PRO  27           HD2      PRO  27  -9.178  -3.499   3.632
  208    HD3  PRO  27           HD3      PRO  27  -9.888  -4.646   2.977
  209    H    LEU  28           H        LEU  28 -10.670  -0.118   2.950
  210    HA   LEU  28           HA       LEU  28 -12.805   1.767   2.778
  211    HB2  LEU  28           HB2      LEU  28 -11.095   3.400   2.748
  212    HB3  LEU  28           HB3      LEU  28 -10.844   2.368   3.926
  213    HG   LEU  28           HG       LEU  28  -8.797   3.169   2.897
  214   HD11  LEU  28          HD11      LEU  28  -7.550   1.146   2.818
  215   HD12  LEU  28          HD12      LEU  28  -8.975   0.177   2.437
  216   HD13  LEU  28          HD13      LEU  28  -8.820   0.954   4.035
  217   HD21  LEU  28          HD21      LEU  28  -9.551   3.303   0.534
  218   HD22  LEU  28          HD22      LEU  28  -9.439   1.532   0.430
  219   HD23  LEU  28          HD23      LEU  28  -7.989   2.494   0.747
  220    H    SER  29           H        SER  29 -11.564  -0.078   0.264
  221    HA   SER  29           HA       SER  29 -12.935   1.609  -1.772
  222    HB2  SER  29           HB2      SER  29 -10.290   0.237  -2.301
  223    HB3  SER  29           HB3      SER  29 -11.189   0.834  -3.411
  224    HG   SER  29           HG       SER  29  -9.632   2.335  -2.672
  225    H    GLU  30           H        GLU  30 -13.505  -1.026  -0.126
  226    HA   GLU  30           HA       GLU  30 -13.750  -3.145  -2.047
  227    HB2  GLU  30           HB2      GLU  30 -14.217  -2.879   0.703
  228    HB3  GLU  30           HB3      GLU  30 -15.673  -2.959   0.228
  229    HG2  GLU  30           HG2      GLU  30 -14.863  -5.150  -1.107
  230    HG3  GLU  30           HG3      GLU  30 -13.570  -5.080  -0.309
  231    HA   PRO  31           HA       PRO  31 -17.373  -1.711  -4.319
  232    HB2  PRO  31           HB2      PRO  31 -18.308  -4.462  -4.771
  233    HB3  PRO  31           HB3      PRO  31 -18.121  -3.384  -5.745
  234    HG2  PRO  31           HG2      PRO  31 -15.963  -4.937  -5.753
  235    HG3  PRO  31           HG3      PRO  31 -15.755  -3.445  -5.919
  236    HD2  PRO  31           HD2      PRO  31 -15.149  -4.733  -3.294
  237    HD3  PRO  31           HD3      PRO  31 -14.392  -3.676  -4.040
  238    HA   PRO  32           HA       PRO  32 -20.836  -3.318  -1.270
  239    HB2  PRO  32           HB2      PRO  32 -19.433  -4.238   1.153
  240    HB3  PRO  32           HB3      PRO  32 -20.678  -4.743   0.581
  241    HG2  PRO  32           HG2      PRO  32 -18.712  -6.319  -0.229
  242    HG3  PRO  32           HG3      PRO  32 -19.745  -5.969  -1.265
  243    HD2  PRO  32           HD2      PRO  32 -17.117  -4.499  -1.276
  244    HD3  PRO  32           HD3      PRO  32 -17.815  -5.163  -2.397
  245    H    GLN  33           H        GLN  33 -17.904  -1.560  -0.416
  246    HA   GLN  33           HA       GLN  33 -19.429   0.396   1.250
  247    HB2  GLN  33           HB2      GLN  33 -16.466   0.114   0.846
  248    HB3  GLN  33           HB3      GLN  33 -17.075   1.399   1.506
  249    HG2  GLN  33           HG2      GLN  33 -16.792   0.217   3.470
  250    HG3  GLN  33           HG3      GLN  33 -18.279   0.009   3.269
  251   HE21  GLN  33          HE21      GLN  33 -15.174  -1.649   2.606
  252   HE22  GLN  33          HE22      GLN  33 -15.828  -3.285   2.679
  253    H    ALA  34           H        ALA  34 -18.983  -0.111  -1.969
  254    HA   ALA  34           HA       ALA  34 -18.799   1.088  -3.854
  255    HB1  ALA  34           HB1      ALA  34 -20.486   2.838  -4.051
  256    HB2  ALA  34           HB2      ALA  34 -21.097   1.494  -3.072
  257    HB3  ALA  34           HB3      ALA  34 -20.566   2.998  -2.282
  258    H    LEU  35           H        LEU  35 -16.527   1.527  -2.242
  259    HA   LEU  35           HA       LEU  35 -14.689   2.794  -1.937
  260    HB2  LEU  35           HB2      LEU  35 -15.427   4.109  -4.518
  261    HB3  LEU  35           HB3      LEU  35 -14.026   4.320  -3.808
  262    HG   LEU  35           HG       LEU  35 -13.449   1.915  -3.972
  263   HD11  LEU  35          HD11      LEU  35 -14.653   0.566  -5.728
  264   HD12  LEU  35          HD12      LEU  35 -15.979   1.751  -5.668
  265   HD13  LEU  35          HD13      LEU  35 -15.567   0.759  -4.244
  266   HD21  LEU  35          HD21      LEU  35 -12.930   2.029  -6.368
  267   HD22  LEU  35          HD22      LEU  35 -12.678   3.596  -5.593
  268   HD23  LEU  35          HD23      LEU  35 -14.132   3.324  -6.581
  269    HN1  NH2  36           H1       NHE  36 -17.277   3.890  -0.726
  270    HN2  NH2  36           H2       NHE  36 -16.835   5.538  -0.323
  Start of MODEL   11
    1    H1   ARG   1           H1       ARG   1   8.345  11.012  -4.979
    2    H2   ARG   1           H2       ARG   1   7.946   9.621  -4.220
    3    H3   ARG   1           H3       ARG   1   8.872   9.582  -5.570
    4    HA   ARG   1           HA       ARG   1   9.688  10.793  -3.001
    5    HB2  ARG   1           HB2      ARG   1  10.448   8.132  -4.167
    6    HB3  ARG   1           HB3      ARG   1  11.503   8.847  -3.287
    7    HG2  ARG   1           HG2      ARG   1   8.839   8.051  -2.152
    8    HG3  ARG   1           HG3      ARG   1  10.168   7.275  -1.965
    9    HD2  ARG   1           HD2      ARG   1  11.088   9.644  -0.962
   10    HD3  ARG   1           HD3      ARG   1   9.621  10.052  -0.876
   11    HE   ARG   1           HE       ARG   1   9.554   7.512   0.308
   12   HH11  ARG   1          HH11      ARG   1  11.079  10.594   1.045
   13   HH12  ARG   1          HH12      ARG   1  11.387  10.134   2.696
   14   HH21  ARG   1          HH21      ARG   1  10.158   6.940   2.297
   15   HH22  ARG   1          HH22      ARG   1  10.810   8.120   3.426
   16    H    ASP   2           H        ASP   2  11.071  12.423  -3.268
   17    HA   ASP   2           HA       ASP   2  12.504  12.893  -5.733
   18    HB2  ASP   2           HB2      ASP   2  11.758  14.678  -4.069
   19    HB3  ASP   2           HB3      ASP   2  12.693  14.198  -3.000
   20    HA   PRO   3           HA       PRO   3  16.492  11.509  -3.605
   21    HB2  PRO   3           HB2      PRO   3  16.744  10.520  -1.157
   22    HB3  PRO   3           HB3      PRO   3  16.478  11.998  -1.351
   23    HG2  PRO   3           HG2      PRO   3  14.255  10.197  -0.502
   24    HG3  PRO   3           HG3      PRO   3  14.596  11.512   0.032
   25    HD2  PRO   3           HD2      PRO   3  12.766  11.710  -1.957
   26    HD3  PRO   3           HD3      PRO   3  13.771  12.841  -1.704
   27    H    LEU   4           H        LEU   4  13.853   9.223  -3.011
   28    HA   LEU   4           HA       LEU   4  13.635   6.976  -3.125
   29    HB2  LEU   4           HB2      LEU   4  13.951   8.065  -5.680
   30    HB3  LEU   4           HB3      LEU   4  14.943   6.951  -5.823
   31    HG   LEU   4           HG       LEU   4  12.085   6.426  -4.868
   32   HD11  LEU   4          HD11      LEU   4  12.175   7.276  -7.176
   33   HD12  LEU   4          HD12      LEU   4  11.684   5.575  -7.138
   34   HD13  LEU   4          HD13      LEU   4  13.345   6.008  -7.607
   35   HD21  LEU   4          HD21      LEU   4  14.182   4.434  -5.819
   36   HD22  LEU   4          HD22      LEU   4  12.484   4.064  -5.437
   37   HD23  LEU   4          HD23      LEU   4  13.580   4.599  -4.157
   38    H    LEU   5           H        LEU   5  15.881   7.495  -1.590
   39    HA   LEU   5           HA       LEU   5  18.233   6.127  -2.420
   40    HB2  LEU   5           HB2      LEU   5  17.526   7.798  -0.288
   41    HB3  LEU   5           HB3      LEU   5  17.673   6.524   0.509
   42    HG   LEU   5           HG       LEU   5  19.898   7.553  -1.319
   43   HD11  LEU   5          HD11      LEU   5  19.434   9.023   0.609
   44   HD12  LEU   5          HD12      LEU   5  21.006   8.229   0.766
   45   HD13  LEU   5          HD13      LEU   5  19.618   7.642   1.714
   46   HD21  LEU   5          HD21      LEU   5  20.228   5.170  -1.041
   47   HD22  LEU   5          HD22      LEU   5  19.922   5.280   0.711
   48   HD23  LEU   5          HD23      LEU   5  21.378   6.009  -0.007
   49    H    ASP   6           H        ASP   6  15.558   5.054  -0.329
   50    HA   ASP   6           HA       ASP   6  16.320   2.209  -0.797
   51    HB2  ASP   6           HB2      ASP   6  17.098   3.234   1.538
   52    HB3  ASP   6           HB3      ASP   6  15.643   3.325   1.947
   53    H    ALA   7           H        ALA   7  13.928   4.408  -1.159
   54    HA   ALA   7           HA       ALA   7  11.617   3.321   0.013
   55    HB1  ALA   7           HB1      ALA   7  11.780   5.578  -0.930
   56    HB2  ALA   7           HB2      ALA   7  11.898   4.904  -2.573
   57    HB3  ALA   7           HB3      ALA   7  10.415   4.693  -1.630
   58    H    NLE   8           H        NLE   8  13.219   2.355  -3.007
   59    HA   NLE   8           HA       NLE   8  11.148   0.906  -4.189
   60    HB2  NLE   8           HB2      NLE   8  12.693  -0.029  -5.633
   61    HB3  NLE   8           HB3      NLE   8  13.334   1.550  -5.252
   62    HG2  NLE   8           HG2      NLE   8  14.290  -1.135  -4.140
   63    HG3  NLE   8           HG3      NLE   8  15.060  -0.214  -5.411
   64    HD2  NLE   8           HD2      NLE   8  14.853   0.659  -2.499
   65    HD3  NLE   8           HD3      NLE   8  16.262  -0.037  -3.291
   66    HE1  NLE   8           HE1      NLE   8  16.563   2.357  -3.185
   67    HE2  NLE   8           HE2      NLE   8  16.310   1.908  -4.880
   68    HE3  NLE   8           HE3      NLE   8  14.993   2.652  -3.943
   69    H    ARG   9           H        ARG   9  13.009  -0.061  -1.406
   70    HA   ARG   9           HA       ARG   9  12.013  -2.880  -1.522
   71    HB2  ARG   9           HB2      ARG   9  13.633  -1.674   0.702
   72    HB3  ARG   9           HB3      ARG   9  13.240  -3.168   0.587
   73    HG2  ARG   9           HG2      ARG   9  14.575  -3.104  -1.744
   74    HG3  ARG   9           HG3      ARG   9  15.105  -1.741  -1.352
   75    HD2  ARG   9           HD2      ARG   9  15.740  -4.196   0.295
   76    HD3  ARG   9           HD3      ARG   9  16.721  -3.423  -0.603
   77    HE   ARG   9           HE       ARG   9  16.265  -1.344   0.925
   78   HH11  ARG   9          HH11      ARG   9  16.495  -4.641   2.116
   79   HH12  ARG   9          HH12      ARG   9  16.804  -4.102   3.745
   80   HH21  ARG   9          HH21      ARG   9  16.473  -0.750   2.977
   81   HH22  ARG   9          HH22      ARG   9  16.848  -1.934   4.216
   82    H    ARG  10           H        ARG  10  11.971  -0.302   0.924
   83    HA   ARG  10           HA       ARG  10   9.920  -1.564   2.467
   84    HB2  ARG  10           HB2      ARG  10  10.314   0.305   3.961
   85    HB3  ARG  10           HB3      ARG  10  11.667  -0.285   3.471
   86    HG2  ARG  10           HG2      ARG  10  11.219   1.844   1.645
   87    HG3  ARG  10           HG3      ARG  10  10.524   2.413   2.854
   88    HD2  ARG  10           HD2      ARG  10  13.434   1.566   2.990
   89    HD3  ARG  10           HD3      ARG  10  12.947   3.020   2.824
   90    HE   ARG  10           HE       ARG  10  11.622   2.543   5.090
   91   HH11  ARG  10          HH11      ARG  10  14.927   1.499   4.330
   92   HH12  ARG  10          HH12      ARG  10  15.394   1.619   6.005
   93   HH21  ARG  10          HH21      ARG  10  12.331   2.609   7.180
   94   HH22  ARG  10          HH22      ARG  10  13.979   2.205   7.559
   95    H    GLU  11           H        GLU  11   9.670   1.429   0.512
   96    HA   GLU  11           HA       GLU  11   6.761   1.585   0.969
   97    HB2  GLU  11           HB2      GLU  11   8.500   3.294  -0.800
   98    HB3  GLU  11           HB3      GLU  11   6.994   3.499  -0.710
   99    HG2  GLU  11           HG2      GLU  11   7.039   4.058   1.685
  100    HG3  GLU  11           HG3      GLU  11   8.364   3.366   1.981
  101    H    GLY  12           H        GLY  12   8.957   0.453  -1.589
  102    HA2  GLY  12           HA2      GLY  12   7.090  -0.191  -3.614
  103    HA3  GLY  12           HA3      GLY  12   8.581  -1.077  -3.270
  104    H    ALA  13           H        ALA  13   8.042  -2.186  -0.738
  105    HA   ALA  13           HA       ALA  13   6.240  -4.342  -1.289
  106    HB1  ALA  13           HB1      ALA  13   8.181  -4.559   0.186
  107    HB2  ALA  13           HB2      ALA  13   7.468  -3.401   1.335
  108    HB3  ALA  13           HB3      ALA  13   6.689  -4.974   1.049
  109    H    NLE  14           H        NLE  14   5.849  -1.470   0.859
  110    HA   NLE  14           HA       NLE  14   3.226  -2.090   1.747
  111    HB2  NLE  14           HB2      NLE  14   4.659   0.565   1.442
  112    HB3  NLE  14           HB3      NLE  14   3.053   0.405   2.166
  113    HG2  NLE  14           HG2      NLE  14   3.937  -1.201   3.833
  114    HG3  NLE  14           HG3      NLE  14   5.562  -1.001   3.189
  115    HD2  NLE  14           HD2      NLE  14   3.865   1.203   4.443
  116    HD3  NLE  14           HD3      NLE  14   5.153   0.308   5.252
  117    HE1  NLE  14           HE1      NLE  14   6.805   1.215   3.608
  118    HE2  NLE  14           HE2      NLE  14   5.504   2.197   2.885
  119    HE3  NLE  14           HE3      NLE  14   6.000   2.475   4.561
  120    H    ASP  15           H        ASP  15   4.253  -0.452  -1.248
  121    HA   ASP  15           HA       ASP  15   1.692   0.369  -2.153
  122    HB2  ASP  15           HB2      ASP  15   4.062   0.926  -3.109
  123    HB3  ASP  15           HB3      ASP  15   4.123  -0.424  -3.790
  124    H    PHE  16           H        PHE  16   2.954  -2.898  -2.016
  125    HA   PHE  16           HA       PHE  16   0.573  -3.784  -3.596
  126    HB2  PHE  16           HB2      PHE  16   1.738  -5.648  -4.369
  127    HB3  PHE  16           HB3      PHE  16   2.564  -4.386  -4.759
  128    HD1  PHE  16           HD1      PHE  16   2.465  -6.954  -1.974
  129    HD2  PHE  16           HD2      PHE  16   4.889  -4.457  -4.524
  130    HE1  PHE  16           HE1      PHE  16   4.509  -8.067  -1.125
  131    HE2  PHE  16           HE2      PHE  16   6.928  -5.610  -3.708
  132    HZ   PHE  16           HZ       PHE  16   6.744  -7.411  -1.999
  133    H    TRP  17           H        TRP  17   1.926  -3.842  -0.405
  134    HA   TRP  17           HA       TRP  17   0.043  -5.843   0.605
  135    HB2  TRP  17           HB2      TRP  17   1.953  -4.917   1.989
  136    HB3  TRP  17           HB3      TRP  17   1.431  -3.467   1.891
  137    HD1  TRP  17           HD1      TRP  17   0.102  -2.596   3.852
  138    HE1  TRP  17           HE1      TRP  17  -1.311  -3.573   5.761
  139    HE3  TRP  17           HE3      TRP  17   0.189  -7.537   2.483
  140    HZ2  TRP  17           HZ2      TRP  17  -2.272  -6.159   6.592
  141    HZ3  TRP  17           HZ3      TRP  17  -0.984  -9.239   3.863
  142    HH2  TRP  17           HH2      TRP  17  -2.190  -8.569   5.928
  143    H    SER  18           H        SER  18  -0.057  -2.249   0.380
  144    HA   SER  18           HA       SER  18  -2.741  -1.963   1.281
  145    HB2  SER  18           HB2      SER  18  -2.424   0.387   0.536
  146    HB3  SER  18           HB3      SER  18  -1.199  -0.107   1.332
  147    HG   SER  18           HG       SER  18   0.017  -0.312  -0.471
  148    H    ALA  19           H        ALA  19  -1.636  -2.982  -1.848
  149    HA   ALA  19           HA       ALA  19  -3.936  -2.364  -3.418
  150    HB1  ALA  19           HB1      ALA  19  -1.739  -3.070  -4.322
  151    HB2  ALA  19           HB2      ALA  19  -1.991  -4.699  -3.646
  152    HB3  ALA  19           HB3      ALA  19  -3.059  -4.089  -4.922
  153    H    GLY  20           H        GLY  20  -3.606  -4.653  -0.833
  154    HA2  GLY  20           HA2      GLY  20  -6.377  -5.681  -1.380
  155    HA3  GLY  20           HA3      GLY  20  -5.070  -6.775  -0.923
  156    H    ABA  21           H        ABU  21  -3.961  -4.726   0.981
  157    HA   ABA  21           HA       ABU  21  -3.916  -4.420   3.201
  158    HB3  ABA  21           HB3      ABU  21  -6.628  -3.174   2.674
  159    HB2  ABA  21           HB2      ABU  21  -5.086  -2.465   2.189
  160    HG1  ABA  21           HG1      ABU  21  -5.845  -1.473   4.288
  161    HG3  ABA  21           HG3      ABU  21  -4.350  -2.395   4.556
  162    HG2  ABA  21           HG2      ABU  21  -5.919  -3.069   5.060
  163    H    TYR  22           H        TYR  22  -3.855  -6.495   3.997
  164    HA   TYR  22           HA       TYR  22  -4.397  -8.335   5.155
  165    HB2  TYR  22           HB2      TYR  22  -7.149  -7.427   5.795
  166    HB3  TYR  22           HB3      TYR  22  -6.366  -8.596   6.499
  167    HD1  TYR  22           HD1      TYR  22  -4.174  -8.120   7.795
  168    HD2  TYR  22           HD2      TYR  22  -7.053  -5.107   6.680
  169    HE1  TYR  22           HE1      TYR  22  -3.361  -6.653   9.643
  170    HE2  TYR  22           HE2      TYR  22  -6.249  -3.649   8.531
  171    HH   TYR  22           HH       TYR  22  -4.808  -3.439  10.300
  172    H    ALA  23           H        ALA  23  -5.021  -7.923   2.231
  173    HA   ALA  23           HA       ALA  23  -6.123  -8.828   0.464
  174    HB1  ALA  23           HB1      ALA  23  -6.048 -11.262   0.324
  175    HB2  ALA  23           HB2      ALA  23  -4.569 -10.634   1.072
  176    HB3  ALA  23           HB3      ALA  23  -5.825 -11.386   2.082
  177    H    ARG  24           H        ARG  24  -7.801  -7.475   1.951
  178    HA   ARG  24           HA       ARG  24 -10.326  -9.021   2.417
  179    HB2  ARG  24           HB2      ARG  24  -9.088  -8.170   4.376
  180    HB3  ARG  24           HB3      ARG  24  -8.965  -6.694   3.805
  181    HG2  ARG  24           HG2      ARG  24 -10.660  -6.642   5.506
  182    HG3  ARG  24           HG3      ARG  24 -11.217  -6.129   4.185
  183    HD2  ARG  24           HD2      ARG  24 -12.229  -8.602   3.866
  184    HD3  ARG  24           HD3      ARG  24 -11.703  -8.935   5.269
  185    HE   ARG  24           HE       ARG  24 -13.425  -7.743   6.265
  186   HH11  ARG  24          HH11      ARG  24 -13.101  -6.491   2.992
  187   HH12  ARG  24          HH12      ARG  24 -14.543  -5.508   3.133
  188   HH21  ARG  24          HH21      ARG  24 -15.242  -6.412   6.363
  189   HH22  ARG  24          HH22      ARG  24 -15.675  -5.462   4.967
  190    H    GLY  25           H        GLY  25  -9.222  -7.299   0.015
  191    HA2  GLY  25           HA2      GLY  25 -10.315  -6.207  -1.719
  192    HA3  GLY  25           HA3      GLY  25 -11.810  -6.196  -0.779
  193    H    VAL  26           H        VAL  26  -8.896  -4.899   0.644
  194    HA   VAL  26           HA       VAL  26  -8.580  -2.922   1.700
  195    HB   VAL  26           HB       VAL  26  -7.228  -2.796  -0.161
  196   HG11  VAL  26          HG11      VAL  26  -9.426  -1.426  -1.738
  197   HG12  VAL  26          HG12      VAL  26  -7.724  -1.554  -2.219
  198   HG13  VAL  26          HG13      VAL  26  -8.704  -3.014  -2.062
  199   HG21  VAL  26          HG21      VAL  26  -8.409  -0.035   0.219
  200   HG22  VAL  26          HG22      VAL  26  -7.331  -0.848   1.380
  201   HG23  VAL  26          HG23      VAL  26  -6.757  -0.457  -0.247
  202    HA   PRO  27           HA       PRO  27 -12.998  -2.355   2.391
  203    HB2  PRO  27           HB2      PRO  27 -12.183  -1.002   4.911
  204    HB3  PRO  27           HB3      PRO  27 -13.310  -1.903   4.695
  205    HG2  PRO  27           HG2      PRO  27 -11.239  -3.368   5.442
  206    HG3  PRO  27           HG3      PRO  27 -12.103  -3.931   4.338
  207    HD2  PRO  27           HD2      PRO  27  -9.443  -2.796   3.670
  208    HD3  PRO  27           HD3      PRO  27 -10.163  -3.965   3.067
  209    H    LEU  28           H        LEU  28 -10.931   0.572   2.784
  210    HA   LEU  28           HA       LEU  28 -13.062   2.438   2.484
  211    HB2  LEU  28           HB2      LEU  28 -11.336   4.068   2.364
  212    HB3  LEU  28           HB3      LEU  28 -11.124   3.117   3.612
  213    HG   LEU  28           HG       LEU  28  -9.050   3.834   2.555
  214   HD11  LEU  28          HD11      LEU  28  -7.812   1.817   2.699
  215   HD12  LEU  28          HD12      LEU  28  -9.218   0.813   2.341
  216   HD13  LEU  28          HD13      LEU  28  -9.126   1.714   3.880
  217   HD21  LEU  28          HD21      LEU  28  -9.756   3.761   0.176
  218   HD22  LEU  28          HD22      LEU  28  -9.666   1.987   0.233
  219   HD23  LEU  28          HD23      LEU  28  -8.208   2.957   0.489
  220    H    SER  29           H        SER  29 -11.796   0.469   0.065
  221    HA   SER  29           HA       SER  29 -13.120   2.105  -2.055
  222    HB2  SER  29           HB2      SER  29 -10.600   0.506  -2.531
  223    HB3  SER  29           HB3      SER  29 -11.459   1.136  -3.653
  224    HG   SER  29           HG       SER  29  -9.765   2.520  -2.977
  225    H    GLU  30           H        GLU  30 -13.744  -0.479  -0.253
  226    HA   GLU  30           HA       GLU  30 -14.205  -2.593  -2.163
  227    HB2  GLU  30           HB2      GLU  30 -14.308  -2.387   0.616
  228    HB3  GLU  30           HB3      GLU  30 -15.817  -2.368   0.340
  229    HG2  GLU  30           HG2      GLU  30 -15.317  -4.570  -1.131
  230    HG3  GLU  30           HG3      GLU  30 -13.932  -4.592  -0.497
  231    HA   PRO  31           HA       PRO  31 -18.023  -1.051  -4.003
  232    HB2  PRO  31           HB2      PRO  31 -19.055  -3.788  -4.358
  233    HB3  PRO  31           HB3      PRO  31 -18.976  -2.700  -5.338
  234    HG2  PRO  31           HG2      PRO  31 -16.856  -4.273  -5.623
  235    HG3  PRO  31           HG3      PRO  31 -16.643  -2.783  -5.790
  236    HD2  PRO  31           HD2      PRO  31 -15.752  -4.117  -3.272
  237    HD3  PRO  31           HD3      PRO  31 -15.077  -3.057  -4.086
  238    HA   PRO  32           HA       PRO  32 -21.190  -2.623  -0.629
  239    HB2  PRO  32           HB2      PRO  32 -19.572  -3.563   1.647
  240    HB3  PRO  32           HB3      PRO  32 -20.867  -4.056   1.193
  241    HG2  PRO  32           HG2      PRO  32 -18.997  -5.644   0.200
  242    HG3  PRO  32           HG3      PRO  32 -20.121  -5.288  -0.732
  243    HD2  PRO  32           HD2      PRO  32 -17.500  -3.831  -0.990
  244    HD3  PRO  32           HD3      PRO  32 -18.302  -4.490  -2.042
  245    H    GLN  33           H        GLN  33 -18.184  -0.878  -0.090
  246    HA   GLN  33           HA       GLN  33 -19.552   1.104   1.687
  247    HB2  GLN  33           HB2      GLN  33 -16.622   0.764   1.134
  248    HB3  GLN  33           HB3      GLN  33 -17.177   2.040   1.853
  249    HG2  GLN  33           HG2      GLN  33 -16.809   0.805   3.774
  250    HG3  GLN  33           HG3      GLN  33 -18.309   0.632   3.647
  251   HE21  GLN  33          HE21      GLN  33 -15.332  -1.066   2.549
  252   HE22  GLN  33          HE22      GLN  33 -15.988  -2.694   2.723
  253    H    ALA  34           H        ALA  34 -19.331   0.582  -1.536
  254    HA   ALA  34           HA       ALA  34 -19.194   1.772  -3.437
  255    HB1  ALA  34           HB1      ALA  34 -20.827   3.583  -3.540
  256    HB2  ALA  34           HB2      ALA  34 -21.428   2.256  -2.532
  257    HB3  ALA  34           HB3      ALA  34 -20.805   3.737  -1.769
  258    H    LEU  35           H        LEU  35 -16.809   2.092  -2.048
  259    HA   LEU  35           HA       LEU  35 -14.887   3.255  -1.911
  260    HB2  LEU  35           HB2      LEU  35 -15.835   4.725  -4.332
  261    HB3  LEU  35           HB3      LEU  35 -14.353   4.839  -3.775
  262    HG   LEU  35           HG       LEU  35 -13.899   2.440  -4.138
  263   HD11  LEU  35          HD11      LEU  35 -15.375   1.212  -5.771
  264   HD12  LEU  35          HD12      LEU  35 -16.637   2.430  -5.480
  265   HD13  LEU  35          HD13      LEU  35 -16.072   1.360  -4.169
  266   HD21  LEU  35          HD21      LEU  35 -13.701   2.655  -6.576
  267   HD22  LEU  35          HD22      LEU  35 -13.296   4.178  -5.773
  268   HD23  LEU  35          HD23      LEU  35 -14.877   3.990  -6.567
  269    HN1  NH2  36           H1       NHE  36 -17.286   4.423  -0.393
  270    HN2  NH2  36           H2       NHE  36 -16.708   6.022   0.035
  Start of MODEL   12
    1    H1   ARG   1           H1       ARG   1   8.336  11.166  -4.586
    2    H2   ARG   1           H2       ARG   1   7.993   9.736  -3.868
    3    H3   ARG   1           H3       ARG   1   8.913   9.780  -5.224
    4    HA   ARG   1           HA       ARG   1   9.691  10.942  -2.626
    5    HB2  ARG   1           HB2      ARG   1  10.603   8.363  -3.883
    6    HB3  ARG   1           HB3      ARG   1  11.579   9.085  -2.929
    7    HG2  ARG   1           HG2      ARG   1   8.923   8.084  -1.945
    8    HG3  ARG   1           HG3      ARG   1  10.288   7.386  -1.727
    9    HD2  ARG   1           HD2      ARG   1  11.042   9.705  -0.559
   10    HD3  ARG   1           HD3      ARG   1   9.569  10.112  -0.588
   11    HE   ARG   1           HE       ARG   1   9.425   7.541   0.531
   12   HH11  ARG   1          HH11      ARG   1  10.804  10.641   1.453
   13   HH12  ARG   1          HH12      ARG   1  10.936  10.170   3.125
   14   HH21  ARG   1          HH21      ARG   1   9.828   6.959   2.570
   15   HH22  ARG   1          HH22      ARG   1  10.327   8.144   3.772
   16    H    ASP   2           H        ASP   2  11.777  11.821  -2.496
   17    HA   ASP   2           HA       ASP   2  13.015  12.625  -5.097
   18    HB2  ASP   2           HB2      ASP   2  12.031  14.463  -3.627
   19    HB3  ASP   2           HB3      ASP   2  12.897  14.097  -2.451
   20    HA   PRO   3           HA       PRO   3  16.835  11.439  -2.555
   21    HB2  PRO   3           HB2      PRO   3  16.845  10.465  -0.080
   22    HB3  PRO   3           HB3      PRO   3  16.665  11.952  -0.321
   23    HG2  PRO   3           HG2      PRO   3  14.306  10.269   0.379
   24    HG3  PRO   3           HG3      PRO   3  14.655  11.586   0.902
   25    HD2  PRO   3           HD2      PRO   3  13.001  11.792  -1.228
   26    HD3  PRO   3           HD3      PRO   3  14.030  12.891  -0.945
   27    H    LEU   4           H        LEU   4  14.131   9.192  -2.104
   28    HA   LEU   4           HA       LEU   4  13.869   6.957  -2.319
   29    HB2  LEU   4           HB2      LEU   4  14.241   8.194  -4.797
   30    HB3  LEU   4           HB3      LEU   4  15.200   7.061  -5.003
   31    HG   LEU   4           HG       LEU   4  12.323   6.557  -4.094
   32   HD11  LEU   4          HD11      LEU   4  12.438   7.567  -6.336
   33   HD12  LEU   4          HD12      LEU   4  11.900   5.883  -6.418
   34   HD13  LEU   4          HD13      LEU   4  13.571   6.301  -6.857
   35   HD21  LEU   4          HD21      LEU   4  14.365   4.581  -5.188
   36   HD22  LEU   4          HD22      LEU   4  12.657   4.231  -4.837
   37   HD23  LEU   4          HD23      LEU   4  13.762   4.640  -3.520
   38    H    LEU   5           H        LEU   5  16.136   7.295  -0.737
   39    HA   LEU   5           HA       LEU   5  18.367   5.697  -1.610
   40    HB2  LEU   5           HB2      LEU   5  17.649   6.486   1.206
   41    HB3  LEU   5           HB3      LEU   5  18.987   5.805   0.852
   42    HG   LEU   5           HG       LEU   5  18.226   8.458  -0.439
   43   HD11  LEU   5          HD11      LEU   5  18.452   8.670   2.004
   44   HD12  LEU   5          HD12      LEU   5  19.791   9.466   1.164
   45   HD13  LEU   5          HD13      LEU   5  20.045   7.882   1.933
   46   HD21  LEU   5          HD21      LEU   5  19.911   7.255  -1.760
   47   HD22  LEU   5          HD22      LEU   5  20.881   6.964  -0.297
   48   HD23  LEU   5          HD23      LEU   5  20.659   8.613  -0.921
   49    H    ASP   6           H        ASP   6  15.466   4.843   0.226
   50    HA   ASP   6           HA       ASP   6  16.087   1.964  -0.175
   51    HB2  ASP   6           HB2      ASP   6  16.802   2.956   2.215
   52    HB3  ASP   6           HB3      ASP   6  15.330   3.071   2.555
   53    H    ALA   7           H        ALA   7  13.832   4.290  -0.638
   54    HA   ALA   7           HA       ALA   7  11.419   3.339   0.434
   55    HB1  ALA   7           HB1      ALA   7  11.736   5.564  -0.551
   56    HB2  ALA   7           HB2      ALA   7  11.871   4.838  -2.172
   57    HB3  ALA   7           HB3      ALA   7  10.352   4.725  -1.272
   58    H    NLE   8           H        NLE   8  13.091   2.268  -2.512
   59    HA   NLE   8           HA       NLE   8  11.030   0.823  -3.719
   60    HB2  NLE   8           HB2      NLE   8  12.603  -0.162  -5.099
   61    HB3  NLE   8           HB3      NLE   8  13.252   1.418  -4.731
   62    HG2  NLE   8           HG2      NLE   8  14.143  -1.256  -3.541
   63    HG3  NLE   8           HG3      NLE   8  14.964  -0.363  -4.803
   64    HD2  NLE   8           HD2      NLE   8  14.672   0.554  -1.911
   65    HD3  NLE   8           HD3      NLE   8  16.100  -0.166  -2.645
   66    HE1  NLE   8           HE1      NLE   8  16.412   2.234  -2.555
   67    HE2  NLE   8           HE2      NLE   8  16.235   1.753  -4.250
   68    HE3  NLE   8           HE3      NLE   8  14.880   2.522  -3.392
   69    H    ARG   9           H        ARG   9  12.750  -0.089  -0.835
   70    HA   ARG   9           HA       ARG   9  11.659  -2.884  -0.922
   71    HB2  ARG   9           HB2      ARG   9  13.332  -1.719   1.282
   72    HB3  ARG   9           HB3      ARG   9  12.850  -3.190   1.204
   73    HG2  ARG   9           HG2      ARG   9  14.198  -3.255  -1.127
   74    HG3  ARG   9           HG3      ARG   9  14.817  -1.928  -0.745
   75    HD2  ARG   9           HD2      ARG   9  15.271  -4.406   0.930
   76    HD3  ARG   9           HD3      ARG   9  16.310  -3.700   0.050
   77    HE   ARG   9           HE       ARG   9  15.900  -1.583   1.571
   78   HH11  ARG   9          HH11      ARG   9  16.103  -4.890   2.729
   79   HH12  ARG   9          HH12      ARG   9  16.410  -4.371   4.364
   80   HH21  ARG   9          HH21      ARG   9  16.085  -1.009   3.631
   81   HH22  ARG   9          HH22      ARG   9  16.463  -2.205   4.859
   82    H    ARG  10           H        ARG  10  11.713  -0.223   1.449
   83    HA   ARG  10           HA       ARG  10   9.621  -1.363   3.028
   84    HB2  ARG  10           HB2      ARG  10  10.043   0.556   4.444
   85    HB3  ARG  10           HB3      ARG  10  11.389  -0.056   3.977
   86    HG2  ARG  10           HG2      ARG  10  10.928   1.987   2.052
   87    HG3  ARG  10           HG3      ARG  10  10.250   2.614   3.241
   88    HD2  ARG  10           HD2      ARG  10  13.153   1.741   3.401
   89    HD3  ARG  10           HD3      ARG  10  12.687   3.192   3.132
   90    HE   ARG  10           HE       ARG  10  11.402   2.977   5.418
   91   HH11  ARG  10          HH11      ARG  10  14.575   1.499   4.796
   92   HH12  ARG  10          HH12      ARG  10  15.059   1.758   6.450
   93   HH21  ARG  10          HH21      ARG  10  12.127   3.193   7.487
   94   HH22  ARG  10          HH22      ARG  10  13.721   2.651   7.918
   95    H    GLU  11           H        GLU  11   9.433   1.428   0.797
   96    HA   GLU  11           HA       GLU  11   6.508   1.656   1.242
   97    HB2  GLU  11           HB2      GLU  11   8.286   3.301  -0.548
   98    HB3  GLU  11           HB3      GLU  11   6.778   3.498  -0.508
   99    HG2  GLU  11           HG2      GLU  11   6.746   4.199   1.833
  100    HG3  GLU  11           HG3      GLU  11   8.020   3.471   2.238
  101    H    GLY  12           H        GLY  12   8.771   0.389  -1.185
  102    HA2  GLY  12           HA2      GLY  12   6.963  -0.372  -3.227
  103    HA3  GLY  12           HA3      GLY  12   8.428  -1.252  -2.768
  104    H    ALA  13           H        ALA  13   7.786  -2.155  -0.179
  105    HA   ALA  13           HA       ALA  13   5.981  -4.324  -0.618
  106    HB1  ALA  13           HB1      ALA  13   7.858  -4.426   0.952
  107    HB2  ALA  13           HB2      ALA  13   7.105  -3.175   1.969
  108    HB3  ALA  13           HB3      ALA  13   6.328  -4.763   1.782
  109    H    NLE  14           H        NLE  14   5.507  -1.262   1.231
  110    HA   NLE  14           HA       NLE  14   2.835  -1.794   2.042
  111    HB2  NLE  14           HB2      NLE  14   4.286   0.823   1.547
  112    HB3  NLE  14           HB3      NLE  14   2.642   0.726   2.193
  113    HG2  NLE  14           HG2      NLE  14   3.441  -0.700   4.061
  114    HG3  NLE  14           HG3      NLE  14   5.099  -0.533   3.492
  115    HD2  NLE  14           HD2      NLE  14   3.298   1.748   4.423
  116    HD3  NLE  14           HD3      NLE  14   4.555   0.969   5.385
  117    HE1  NLE  14           HE1      NLE  14   6.278   1.745   3.749
  118    HE2  NLE  14           HE2      NLE  14   5.002   2.617   2.859
  119    HE3  NLE  14           HE3      NLE  14   5.398   3.076   4.522
  120    H    ASP  15           H        ASP  15   4.047  -0.456  -1.034
  121    HA   ASP  15           HA       ASP  15   1.536   0.241  -2.170
  122    HB2  ASP  15           HB2      ASP  15   3.962   0.732  -3.031
  123    HB3  ASP  15           HB3      ASP  15   4.061  -0.674  -3.585
  124    H    PHE  16           H        PHE  16   2.816  -2.974  -1.626
  125    HA   PHE  16           HA       PHE  16   0.537  -4.049  -3.234
  126    HB2  PHE  16           HB2      PHE  16   1.765  -5.993  -3.720
  127    HB3  PHE  16           HB3      PHE  16   2.527  -4.746  -4.273
  128    HD1  PHE  16           HD1      PHE  16   2.560  -6.865  -1.121
  129    HD2  PHE  16           HD2      PHE  16   4.843  -4.733  -4.099
  130    HE1  PHE  16           HE1      PHE  16   4.661  -7.770  -0.166
  131    HE2  PHE  16           HE2      PHE  16   6.937  -5.674  -3.165
  132    HZ   PHE  16           HZ       PHE  16   6.853  -7.195  -1.196
  133    H    TRP  17           H        TRP  17   1.680  -3.748   0.011
  134    HA   TRP  17           HA       TRP  17  -0.261  -5.663   1.090
  135    HB2  TRP  17           HB2      TRP  17   1.548  -4.559   2.503
  136    HB3  TRP  17           HB3      TRP  17   0.994  -3.147   2.242
  137    HD1  TRP  17           HD1      TRP  17  -0.603  -2.160   3.954
  138    HE1  TRP  17           HE1      TRP  17  -2.118  -3.033   5.834
  139    HE3  TRP  17           HE3      TRP  17  -0.043  -7.196   3.173
  140    HZ2  TRP  17           HZ2      TRP  17  -2.998  -5.587   6.853
  141    HZ3  TRP  17           HZ3      TRP  17  -1.230  -8.827   4.625
  142    HH2  TRP  17           HH2      TRP  17  -2.687  -8.038   6.472
  143    H    SER  18           H        SER  18  -0.342  -2.102   0.529
  144    HA   SER  18           HA       SER  18  -3.096  -1.771   1.172
  145    HB2  SER  18           HB2      SER  18  -2.720   0.518   0.293
  146    HB3  SER  18           HB3      SER  18  -1.553   0.093   1.206
  147    HG   SER  18           HG       SER  18  -0.215  -0.247  -0.494
  148    H    ALA  19           H        ALA  19  -1.721  -3.025  -1.757
  149    HA   ALA  19           HA       ALA  19  -3.863  -2.548  -3.573
  150    HB1  ALA  19           HB1      ALA  19  -1.609  -3.333  -4.218
  151    HB2  ALA  19           HB2      ALA  19  -1.919  -4.891  -3.410
  152    HB3  ALA  19           HB3      ALA  19  -2.873  -4.414  -4.828
  153    H    GLY  20           H        GLY  20  -3.800  -4.612  -0.779
  154    HA2  GLY  20           HA2      GLY  20  -6.528  -5.633  -1.468
  155    HA3  GLY  20           HA3      GLY  20  -5.267  -6.776  -1.006
  156    H    ABA  21           H        ABU  21  -4.260  -4.641   0.987
  157    HA   ABA  21           HA       ABU  21  -4.293  -4.440   3.221
  158    HB3  ABA  21           HB3      ABU  21  -7.018  -3.239   2.661
  159    HB2  ABA  21           HB2      ABU  21  -5.487  -2.488   2.206
  160    HG1  ABA  21           HG1      ABU  21  -6.295  -1.561   4.320
  161    HG3  ABA  21           HG3      ABU  21  -4.777  -2.445   4.578
  162    HG2  ABA  21           HG2      ABU  21  -6.330  -3.174   5.056
  163    H    TYR  22           H        TYR  22  -4.218  -6.561   3.879
  164    HA   TYR  22           HA       TYR  22  -4.723  -8.393   5.076
  165    HB2  TYR  22           HB2      TYR  22  -7.580  -7.663   5.461
  166    HB3  TYR  22           HB3      TYR  22  -6.814  -8.828   6.202
  167    HD1  TYR  22           HD1      TYR  22  -4.778  -8.315   7.708
  168    HD2  TYR  22           HD2      TYR  22  -7.709  -5.401   6.476
  169    HE1  TYR  22           HE1      TYR  22  -4.215  -6.908   9.689
  170    HE2  TYR  22           HE2      TYR  22  -7.161  -4.006   8.462
  171    HH   TYR  22           HH       TYR  22  -5.898  -3.814  10.364
  172    H    ALA  23           H        ALA  23  -5.108  -8.021   2.099
  173    HA   ALA  23           HA       ALA  23  -5.978  -9.008   0.247
  174    HB1  ALA  23           HB1      ALA  23  -5.763 -11.434   0.133
  175    HB2  ALA  23           HB2      ALA  23  -4.392 -10.724   1.006
  176    HB3  ALA  23           HB3      ALA  23  -5.692 -11.540   1.905
  177    H    ARG  24           H        ARG  24  -7.836  -7.730   1.516
  178    HA   ARG  24           HA       ARG  24 -10.339  -9.359   1.788
  179    HB2  ARG  24           HB2      ARG  24  -9.302  -8.556   3.858
  180    HB3  ARG  24           HB3      ARG  24  -9.085  -7.069   3.327
  181    HG2  ARG  24           HG2      ARG  24 -10.904  -6.988   4.880
  182    HG3  ARG  24           HG3      ARG  24 -11.354  -6.457   3.524
  183    HD2  ARG  24           HD2      ARG  24 -12.391  -8.905   3.116
  184    HD3  ARG  24           HD3      ARG  24 -11.971  -9.259   4.549
  185    HE   ARG  24           HE       ARG  24 -13.736  -8.044   5.433
  186   HH11  ARG  24          HH11      ARG  24 -13.164  -6.769   2.205
  187   HH12  ARG  24          HH12      ARG  24 -14.602  -5.770   2.251
  188   HH21  ARG  24          HH21      ARG  24 -15.535  -6.687   5.418
  189   HH22  ARG  24          HH22      ARG  24 -15.853  -5.715   4.004
  190    H    GLY  25           H        GLY  25  -9.113  -7.630  -0.514
  191    HA2  GLY  25           HA2      GLY  25 -10.089  -6.544  -2.315
  192    HA3  GLY  25           HA3      GLY  25 -11.643  -6.548  -1.479
  193    H    VAL  26           H        VAL  26  -8.884  -5.192   0.169
  194    HA   VAL  26           HA       VAL  26  -8.636  -3.208   1.190
  195    HB   VAL  26           HB       VAL  26  -7.219  -2.974  -0.600
  196   HG11  VAL  26          HG11      VAL  26  -9.446  -1.776  -2.270
  197   HG12  VAL  26          HG12      VAL  26  -7.717  -1.726  -2.673
  198   HG13  VAL  26          HG13      VAL  26  -8.553  -3.277  -2.572
  199   HG21  VAL  26          HG21      VAL  26  -8.597  -0.298  -0.253
  200   HG22  VAL  26          HG22      VAL  26  -7.493  -1.046   0.931
  201   HG23  VAL  26          HG23      VAL  26  -6.909  -0.598  -0.677
  202    HA   PRO  27           HA       PRO  27 -13.097  -2.678   1.780
  203    HB2  PRO  27           HB2      PRO  27 -12.316  -1.392   4.344
  204    HB3  PRO  27           HB3      PRO  27 -13.438  -2.289   4.088
  205    HG2  PRO  27           HG2      PRO  27 -11.380  -3.765   4.857
  206    HG3  PRO  27           HG3      PRO  27 -12.223  -4.309   3.726
  207    HD2  PRO  27           HD2      PRO  27  -9.551  -3.154   3.134
  208    HD3  PRO  27           HD3      PRO  27 -10.241  -4.323   2.506
  209    H    LEU  28           H        LEU  28 -10.978   0.190   2.349
  210    HA   LEU  28           HA       LEU  28 -13.084   2.084   1.977
  211    HB2  LEU  28           HB2      LEU  28 -11.368   3.711   2.118
  212    HB3  LEU  28           HB3      LEU  28 -11.257   2.680   3.319
  213    HG   LEU  28           HG       LEU  28  -9.102   3.455   2.523
  214   HD11  LEU  28          HD11      LEU  28  -7.873   1.428   2.581
  215   HD12  LEU  28          HD12      LEU  28  -9.239   0.470   2.007
  216   HD13  LEU  28          HD13      LEU  28  -9.284   1.218   3.627
  217   HD21  LEU  28          HD21      LEU  28  -9.592   3.616   0.097
  218   HD22  LEU  28          HD22      LEU  28  -9.511   1.846  -0.010
  219   HD23  LEU  28          HD23      LEU  28  -8.078   2.771   0.463
  220    H    SER  29           H        SER  29 -11.663   0.221  -0.415
  221    HA   SER  29           HA       SER  29 -12.799   1.976  -2.556
  222    HB2  SER  29           HB2      SER  29 -10.305   0.308  -2.974
  223    HB3  SER  29           HB3      SER  29 -11.040   1.119  -4.069
  224    HG   SER  29           HG       SER  29  -9.297   2.270  -3.129
  225    H    GLU  30           H        GLU  30 -13.140  -0.951  -0.977
  226    HA   GLU  30           HA       GLU  30 -13.645  -2.863  -2.978
  227    HB2  GLU  30           HB2      GLU  30 -13.683  -2.916  -0.272
  228    HB3  GLU  30           HB3      GLU  30 -15.182  -2.597  -0.402
  229    HG2  GLU  30           HG2      GLU  30 -15.171  -4.765  -2.037
  230    HG3  GLU  30           HG3      GLU  30 -13.797  -5.079  -1.451
  231    HA   PRO  31           HA       PRO  31 -17.296  -1.326  -5.044
  232    HB2  PRO  31           HB2      PRO  31 -18.381  -4.063  -5.357
  233    HB3  PRO  31           HB3      PRO  31 -18.285  -2.997  -6.358
  234    HG2  PRO  31           HG2      PRO  31 -16.135  -4.531  -6.564
  235    HG3  PRO  31           HG3      PRO  31 -15.929  -3.040  -6.719
  236    HD2  PRO  31           HD2      PRO  31 -15.103  -4.373  -4.187
  237    HD3  PRO  31           HD3      PRO  31 -14.433  -3.271  -4.955
  238    HA   PRO  32           HA       PRO  32 -20.841  -2.552  -1.965
  239    HB2  PRO  32           HB2      PRO  32 -19.614  -3.516   0.517
  240    HB3  PRO  32           HB3      PRO  32 -20.835  -3.983  -0.127
  241    HG2  PRO  32           HG2      PRO  32 -18.870  -5.650  -0.761
  242    HG3  PRO  32           HG3      PRO  32 -19.838  -5.310  -1.859
  243    HD2  PRO  32           HD2      PRO  32 -17.177  -3.898  -1.774
  244    HD3  PRO  32           HD3      PRO  32 -17.812  -4.599  -2.908
  245    H    GLN  33           H        GLN  33 -17.795  -1.012  -1.111
  246    HA   GLN  33           HA       GLN  33 -19.218   1.145   0.408
  247    HB2  GLN  33           HB2      GLN  33 -16.276   0.571   0.313
  248    HB3  GLN  33           HB3      GLN  33 -16.862   1.878   0.953
  249    HG2  GLN  33           HG2      GLN  33 -16.832   0.589   2.889
  250    HG3  GLN  33           HG3      GLN  33 -18.308   0.537   2.553
  251   HE21  GLN  33          HE21      GLN  33 -15.392  -1.373   1.631
  252   HE22  GLN  33          HE22      GLN  33 -16.157  -2.953   1.771
  253    H    ALA  34           H        ALA  34 -17.884   0.434  -2.669
  254    HA   ALA  34           HA       ALA  34 -17.412   1.644  -4.522
  255    HB1  ALA  34           HB1      ALA  34 -19.338   2.964  -5.244
  256    HB2  ALA  34           HB2      ALA  34 -19.859   1.500  -4.397
  257    HB3  ALA  34           HB3      ALA  34 -19.919   3.071  -3.568
  258    H    LEU  35           H        LEU  35 -15.542   2.504  -2.918
  259    HA   LEU  35           HA       LEU  35 -13.989   4.094  -2.512
  260    HB2  LEU  35           HB2      LEU  35 -15.160   5.627  -4.810
  261    HB3  LEU  35           HB3      LEU  35 -13.810   5.996  -4.178
  262    HG   LEU  35           HG       LEU  35 -14.105   3.147  -5.191
  263   HD11  LEU  35          HD11      LEU  35 -13.128   3.913  -7.320
  264   HD12  LEU  35          HD12      LEU  35 -13.261   5.604  -6.784
  265   HD13  LEU  35          HD13      LEU  35 -14.724   4.630  -7.049
  266   HD21  LEU  35          HD21      LEU  35 -11.683   3.291  -5.411
  267   HD22  LEU  35          HD22      LEU  35 -12.121   3.785  -3.767
  268   HD23  LEU  35          HD23      LEU  35 -11.697   5.011  -4.967
  269    HN1  NH2  36           H1       NHE  36 -16.895   4.534  -1.271
  270    HN2  NH2  36           H2       NHE  36 -16.670   6.110  -0.537
  Start of MODEL   13
    1    H1   ARG   1           H1       ARG   1   8.019  11.679  -3.670
    2    H2   ARG   1           H2       ARG   1   7.717  10.197  -3.043
    3    H3   ARG   1           H3       ARG   1   8.391  10.342  -4.531
    4    HA   ARG   1           HA       ARG   1   9.655  11.185  -2.009
    5    HB2  ARG   1           HB2      ARG   1  10.200   8.726  -3.657
    6    HB3  ARG   1           HB3      ARG   1  11.358   9.291  -2.815
    7    HG2  ARG   1           HG2      ARG   1   8.844   8.316  -1.496
    8    HG3  ARG   1           HG3      ARG   1  10.191   7.551  -1.565
    9    HD2  ARG   1           HD2      ARG   1  11.258   9.675  -0.323
   10    HD3  ARG   1           HD3      ARG   1   9.843  10.202  -0.107
   11    HE   ARG   1           HE       ARG   1   9.665   7.527   0.802
   12   HH11  ARG   1          HH11      ARG   1  11.240  10.514   1.795
   13   HH12  ARG   1          HH12      ARG   1  11.484   9.931   3.418
   14   HH21  ARG   1          HH21      ARG   1  10.194   6.805   2.762
   15   HH22  ARG   1          HH22      ARG   1  10.841   7.889   3.988
   16    H    ASP   2           H        ASP   2  11.961  11.643  -2.234
   17    HA   ASP   2           HA       ASP   2  12.787  12.719  -4.889
   18    HB2  ASP   2           HB2      ASP   2  11.926  14.562  -3.316
   19    HB3  ASP   2           HB3      ASP   2  12.924  14.201  -2.238
   20    HA   PRO   3           HA       PRO   3  16.843  11.542  -2.736
   21    HB2  PRO   3           HB2      PRO   3  17.055  10.453  -0.308
   22    HB3  PRO   3           HB3      PRO   3  16.927  11.956  -0.483
   23    HG2  PRO   3           HG2      PRO   3  14.577  10.363   0.402
   24    HG3  PRO   3           HG3      PRO   3  15.027  11.661   0.908
   25    HD2  PRO   3           HD2      PRO   3  13.184  11.990  -1.032
   26    HD3  PRO   3           HD3      PRO   3  14.306  13.027  -0.851
   27    H    LEU   4           H        LEU   4  14.181   9.285  -2.037
   28    HA   LEU   4           HA       LEU   4  13.841   7.077  -2.391
   29    HB2  LEU   4           HB2      LEU   4  13.997   8.484  -4.802
   30    HB3  LEU   4           HB3      LEU   4  14.899   7.347  -5.181
   31    HG   LEU   4           HG       LEU   4  12.115   6.837  -4.022
   32   HD11  LEU   4          HD11      LEU   4  12.019   8.038  -6.164
   33   HD12  LEU   4          HD12      LEU   4  11.430   6.378  -6.335
   34   HD13  LEU   4          HD13      LEU   4  13.056   6.804  -6.915
   35   HD21  LEU   4          HD21      LEU   4  13.972   4.927  -5.500
   36   HD22  LEU   4          HD22      LEU   4  12.303   4.578  -4.995
   37   HD23  LEU   4          HD23      LEU   4  13.555   4.847  -3.777
   38    H    LEU   5           H        LEU   5  16.317   7.317  -1.065
   39    HA   LEU   5           HA       LEU   5  18.314   5.621  -2.315
   40    HB2  LEU   5           HB2      LEU   5  18.219   6.460   0.566
   41    HB3  LEU   5           HB3      LEU   5  19.444   5.784  -0.099
   42    HG   LEU   5           HG       LEU   5  18.398   8.494  -1.017
   43   HD11  LEU   5          HD11      LEU   5  19.412   8.517   1.222
   44   HD12  LEU   5          HD12      LEU   5  20.413   9.376   0.041
   45   HD13  LEU   5          HD13      LEU   5  20.878   7.743   0.574
   46   HD21  LEU   5          HD21      LEU   5  19.504   7.391  -2.894
   47   HD22  LEU   5          HD22      LEU   5  20.888   6.951  -1.860
   48   HD23  LEU   5          HD23      LEU   5  20.553   8.655  -2.250
   49    H    ASP   6           H        ASP   6  15.634   4.906  -0.178
   50    HA   ASP   6           HA       ASP   6  16.190   2.004  -0.517
   51    HB2  ASP   6           HB2      ASP   6  17.011   3.049   1.814
   52    HB3  ASP   6           HB3      ASP   6  15.558   3.203   2.205
   53    H    ALA   7           H        ALA   7  13.927   4.428  -0.788
   54    HA   ALA   7           HA       ALA   7  11.561   3.398   0.320
   55    HB1  ALA   7           HB1      ALA   7  11.833   5.693  -0.486
   56    HB2  ALA   7           HB2      ALA   7  11.916   5.108  -2.165
   57    HB3  ALA   7           HB3      ALA   7  10.427   4.913  -1.232
   58    H    NLE   8           H        NLE   8  13.107   2.535  -2.763
   59    HA   NLE   8           HA       NLE   8  10.974   1.223  -3.996
   60    HB2  NLE   8           HB2      NLE   8  12.474   0.297  -5.496
   61    HB3  NLE   8           HB3      NLE   8  13.168   1.837  -5.047
   62    HG2  NLE   8           HG2      NLE   8  14.046  -0.924  -4.063
   63    HG3  NLE   8           HG3      NLE   8  14.836   0.028  -5.302
   64    HD2  NLE   8           HD2      NLE   8  14.675   0.774  -2.353
   65    HD3  NLE   8           HD3      NLE   8  16.056   0.071  -3.188
   66    HE1  NLE   8           HE1      NLE   8  16.425   2.447  -2.968
   67    HE2  NLE   8           HE2      NLE   8  16.164   2.079  -4.682
   68    HE3  NLE   8           HE3      NLE   8  14.866   2.823  -3.718
   69    H    ARG   9           H        ARG   9  12.765   0.075  -1.250
   70    HA   ARG   9           HA       ARG   9  11.605  -2.682  -1.476
   71    HB2  ARG   9           HB2      ARG   9  13.350  -1.719   0.766
   72    HB3  ARG   9           HB3      ARG   9  12.883  -3.176   0.546
   73    HG2  ARG   9           HG2      ARG   9  14.195  -3.013  -1.789
   74    HG3  ARG   9           HG3      ARG   9  14.775  -1.692  -1.323
   75    HD2  ARG   9           HD2      ARG   9  15.368  -4.263   0.149
   76    HD3  ARG   9           HD3      ARG   9  16.360  -3.436  -0.691
   77    HE   ARG   9           HE       ARG   9  16.032  -1.489   0.970
   78   HH11  ARG   9          HH11      ARG   9  15.789  -4.828   2.041
   79   HH12  ARG   9          HH12      ARG   9  16.006  -4.375   3.709
   80   HH21  ARG   9          HH21      ARG   9  16.138  -0.985   3.037
   81   HH22  ARG   9          HH22      ARG   9  16.244  -2.235   4.266
   82    H    ARG  10           H        ARG  10  11.815  -0.187   1.048
   83    HA   ARG  10           HA       ARG  10   9.776  -1.392   2.651
   84    HB2  ARG  10           HB2      ARG  10  10.416   0.325   4.206
   85    HB3  ARG  10           HB3      ARG  10  11.699  -0.191   3.530
   86    HG2  ARG  10           HG2      ARG  10  11.117   1.986   1.867
   87    HG3  ARG  10           HG3      ARG  10  10.383   2.489   3.084
   88    HD2  ARG  10           HD2      ARG  10  13.338   1.825   3.209
   89    HD3  ARG  10           HD3      ARG  10  12.754   3.248   3.089
   90    HE   ARG  10           HE       ARG  10  11.503   2.741   5.325
   91   HH11  ARG  10          HH11      ARG  10  14.730   1.440   4.591
   92   HH12  ARG  10          HH12      ARG  10  15.170   1.488   6.278
   93   HH21  ARG  10          HH21      ARG  10  12.173   2.698   7.417
   94   HH22  ARG  10          HH22      ARG  10  13.775   2.151   7.817
   95    H    GLU  11           H        GLU  11   9.525   1.326   0.406
   96    HA   GLU  11           HA       GLU  11   6.634   1.680   1.108
   97    HB2  GLU  11           HB2      GLU  11   8.386   3.469  -0.557
   98    HB3  GLU  11           HB3      GLU  11   6.883   3.693  -0.433
   99    HG2  GLU  11           HG2      GLU  11   6.966   4.151   1.965
  100    HG3  GLU  11           HG3      GLU  11   8.237   3.365   2.239
  101    H    GLY  12           H        GLY  12   8.791   0.601  -1.501
  102    HA2  GLY  12           HA2      GLY  12   6.882   0.007  -3.519
  103    HA3  GLY  12           HA3      GLY  12   8.342  -0.929  -3.165
  104    H    ALA  13           H        ALA  13   7.761  -1.910  -0.573
  105    HA   ALA  13           HA       ALA  13   5.912  -4.026  -0.981
  106    HB1  ALA  13           HB1      ALA  13   7.778  -4.135   0.605
  107    HB2  ALA  13           HB2      ALA  13   7.038  -2.860   1.602
  108    HB3  ALA  13           HB3      ALA  13   6.242  -4.441   1.436
  109    H    NLE  14           H        NLE  14   5.451  -0.946   0.837
  110    HA   NLE  14           HA       NLE  14   2.766  -1.478   1.626
  111    HB2  NLE  14           HB2      NLE  14   4.236   1.144   1.217
  112    HB3  NLE  14           HB3      NLE  14   2.592   1.026   1.862
  113    HG2  NLE  14           HG2      NLE  14   3.409  -0.482   3.671
  114    HG3  NLE  14           HG3      NLE  14   5.064  -0.256   3.110
  115    HD2  NLE  14           HD2      NLE  14   3.220   1.958   4.120
  116    HD3  NLE  14           HD3      NLE  14   4.469   1.151   5.072
  117    HE1  NLE  14           HE1      NLE  14   6.214   2.006   3.518
  118    HE2  NLE  14           HE2      NLE  14   4.954   2.879   2.607
  119    HE3  NLE  14           HE3      NLE  14   5.292   3.308   4.292
  120    H    ASP  15           H        ASP  15   4.049  -0.096  -1.388
  121    HA   ASP  15           HA       ASP  15   1.561   0.631  -2.570
  122    HB2  ASP  15           HB2      ASP  15   4.031   1.142  -3.336
  123    HB3  ASP  15           HB3      ASP  15   4.116  -0.229  -3.965
  124    H    PHE  16           H        PHE  16   2.719  -2.569  -1.947
  125    HA   PHE  16           HA       PHE  16   0.453  -3.587  -3.602
  126    HB2  PHE  16           HB2      PHE  16   1.638  -5.548  -4.147
  127    HB3  PHE  16           HB3      PHE  16   2.421  -4.306  -4.686
  128    HD1  PHE  16           HD1      PHE  16   2.437  -6.524  -1.614
  129    HD2  PHE  16           HD2      PHE  16   4.740  -4.294  -4.502
  130    HE1  PHE  16           HE1      PHE  16   4.529  -7.475  -0.685
  131    HE2  PHE  16           HE2      PHE  16   6.827  -5.276  -3.593
  132    HZ   PHE  16           HZ       PHE  16   6.728  -6.872  -1.683
  133    H    TRP  17           H        TRP  17   1.688  -3.397  -0.370
  134    HA   TRP  17           HA       TRP  17  -0.228  -5.290   0.741
  135    HB2  TRP  17           HB2      TRP  17   1.577  -4.127   2.104
  136    HB3  TRP  17           HB3      TRP  17   0.984  -2.720   1.827
  137    HD1  TRP  17           HD1      TRP  17  -0.673  -1.716   3.460
  138    HE1  TRP  17           HE1      TRP  17  -2.038  -2.542   5.472
  139    HE3  TRP  17           HE3      TRP  17   0.197  -6.744   3.013
  140    HZ2  TRP  17           HZ2      TRP  17  -2.662  -5.049   6.733
  141    HZ3  TRP  17           HZ3      TRP  17  -0.786  -8.332   4.656
  142    HH2  TRP  17           HH2      TRP  17  -2.189  -7.496   6.530
  143    H    SER  18           H        SER  18  -0.392  -1.767   0.047
  144    HA   SER  18           HA       SER  18  -3.120  -1.408   0.756
  145    HB2  SER  18           HB2      SER  18  -2.801   0.800  -0.363
  146    HB3  SER  18           HB3      SER  18  -1.626   0.475   0.584
  147    HG   SER  18           HG       SER  18  -0.283   0.030  -1.067
  148    H    ALA  19           H        ALA  19  -1.886  -2.943  -2.095
  149    HA   ALA  19           HA       ALA  19  -4.159  -2.588  -3.820
  150    HB1  ALA  19           HB1      ALA  19  -1.909  -3.326  -4.563
  151    HB2  ALA  19           HB2      ALA  19  -2.138  -4.864  -3.688
  152    HB3  ALA  19           HB3      ALA  19  -3.188  -4.451  -5.058
  153    H    GLY  20           H        GLY  20  -3.858  -4.429  -0.891
  154    HA2  GLY  20           HA2      GLY  20  -6.557  -5.628  -1.348
  155    HA3  GLY  20           HA3      GLY  20  -5.208  -6.691  -0.953
  156    H    ABA  21           H        ABU  21  -4.210  -4.389   0.887
  157    HA   ABA  21           HA       ABU  21  -4.056  -4.157   3.118
  158    HB3  ABA  21           HB3      ABU  21  -6.837  -3.031   2.711
  159    HB2  ABA  21           HB2      ABU  21  -5.349  -2.267   2.139
  160    HG1  ABA  21           HG1      ABU  21  -6.053  -1.291   4.263
  161    HG3  ABA  21           HG3      ABU  21  -4.507  -2.142   4.468
  162    HG2  ABA  21           HG2      ABU  21  -6.020  -2.882   5.049
  163    H    TYR  22           H        TYR  22  -3.849  -6.108   4.071
  164    HA   TYR  22           HA       TYR  22  -4.230  -7.908   5.339
  165    HB2  TYR  22           HB2      TYR  22  -7.073  -7.220   5.873
  166    HB3  TYR  22           HB3      TYR  22  -6.229  -8.303   6.640
  167    HD1  TYR  22           HD1      TYR  22  -4.238  -7.715   8.077
  168    HD2  TYR  22           HD2      TYR  22  -7.033  -4.803   6.551
  169    HE1  TYR  22           HE1      TYR  22  -3.563  -6.122   9.876
  170    HE2  TYR  22           HE2      TYR  22  -6.363  -3.213   8.346
  171    HH   TYR  22           HH       TYR  22  -5.039  -2.880  10.200
  172    H    ALA  23           H        ALA  23  -4.800  -7.759   2.381
  173    HA   ALA  23           HA       ALA  23  -5.714  -8.914   0.652
  174    HB1  ALA  23           HB1      ALA  23  -5.344 -11.333   0.701
  175    HB2  ALA  23           HB2      ALA  23  -3.983 -10.475   1.442
  176    HB3  ALA  23           HB3      ALA  23  -5.181 -11.293   2.469
  177    H    ARG  24           H        ARG  24  -7.579  -7.662   1.924
  178    HA   ARG  24           HA       ARG  24  -9.968  -9.407   2.427
  179    HB2  ARG  24           HB2      ARG  24  -8.851  -8.519   4.410
  180    HB3  ARG  24           HB3      ARG  24  -8.728  -7.035   3.848
  181    HG2  ARG  24           HG2      ARG  24 -10.453  -6.998   5.506
  182    HG3  ARG  24           HG3      ARG  24 -11.000  -6.506   4.174
  183    HD2  ARG  24           HD2      ARG  24 -11.965  -9.000   3.867
  184    HD3  ARG  24           HD3      ARG  24 -11.449  -9.309   5.279
  185    HE   ARG  24           HE       ARG  24 -13.203  -8.143   6.245
  186   HH11  ARG  24          HH11      ARG  24 -12.862  -6.903   2.972
  187   HH12  ARG  24          HH12      ARG  24 -14.309  -5.925   3.102
  188   HH21  ARG  24          HH21      ARG  24 -15.028  -6.823   6.326
  189   HH22  ARG  24          HH22      ARG  24 -15.458  -5.881   4.921
  190    H    GLY  25           H        GLY  25  -8.996  -7.771  -0.003
  191    HA2  GLY  25           HA2      GLY  25 -10.172  -6.869  -1.789
  192    HA3  GLY  25           HA3      GLY  25 -11.627  -6.778  -0.794
  193    H    VAL  26           H        VAL  26  -8.774  -5.295   0.511
  194    HA   VAL  26           HA       VAL  26  -8.482  -3.241   1.349
  195    HB   VAL  26           HB       VAL  26  -7.204  -3.053  -0.534
  196   HG11  VAL  26          HG11      VAL  26  -9.591  -2.074  -2.121
  197   HG12  VAL  26          HG12      VAL  26  -7.896  -1.958  -2.643
  198   HG13  VAL  26          HG13      VAL  26  -8.633  -3.541  -2.394
  199   HG21  VAL  26          HG21      VAL  26  -8.687  -0.426  -0.270
  200   HG22  VAL  26          HG22      VAL  26  -7.477  -1.040   0.886
  201   HG23  VAL  26          HG23      VAL  26  -7.018  -0.671  -0.782
  202    HA   PRO  27           HA       PRO  27 -12.894  -2.789   2.271
  203    HB2  PRO  27           HB2      PRO  27 -11.939  -1.386   4.707
  204    HB3  PRO  27           HB3      PRO  27 -13.071  -2.302   4.559
  205    HG2  PRO  27           HG2      PRO  27 -10.938  -3.731   5.232
  206    HG3  PRO  27           HG3      PRO  27 -11.851  -4.324   4.185
  207    HD2  PRO  27           HD2      PRO  27  -9.249  -3.133   3.364
  208    HD3  PRO  27           HD3      PRO  27  -9.939  -4.351   2.839
  209    H    LEU  28           H        LEU  28 -10.786   0.137   2.564
  210    HA   LEU  28           HA       LEU  28 -12.954   1.979   2.229
  211    HB2  LEU  28           HB2      LEU  28 -11.265   3.639   2.188
  212    HB3  LEU  28           HB3      LEU  28 -11.084   2.662   3.440
  213    HG   LEU  28           HG       LEU  28  -8.995   3.466   2.496
  214   HD11  LEU  28          HD11      LEU  28  -7.712   1.545   2.707
  215   HD12  LEU  28          HD12      LEU  28  -9.016   0.458   2.176
  216   HD13  LEU  28          HD13      LEU  28  -9.123   1.296   3.759
  217   HD21  LEU  28          HD21      LEU  28  -9.562   3.451   0.124
  218   HD22  LEU  28          HD22      LEU  28  -9.512   1.670   0.120
  219   HD23  LEU  28          HD23      LEU  28  -8.040   2.600   0.476
  220    H    SER  29           H        SER  29 -11.687   0.008  -0.091
  221    HA   SER  29           HA       SER  29 -12.933   1.601  -2.277
  222    HB2  SER  29           HB2      SER  29 -10.375   0.052  -2.698
  223    HB3  SER  29           HB3      SER  29 -11.239   0.692  -3.825
  224    HG   SER  29           HG       SER  29  -9.562   2.074  -3.106
  225    H    GLU  30           H        GLU  30 -13.605  -0.922  -0.460
  226    HA   GLU  30           HA       GLU  30 -13.880  -3.173  -2.247
  227    HB2  GLU  30           HB2      GLU  30 -14.355  -2.680   0.514
  228    HB3  GLU  30           HB3      GLU  30 -15.781  -2.961   0.011
  229    HG2  GLU  30           HG2      GLU  30 -14.701  -5.126  -1.147
  230    HG3  GLU  30           HG3      GLU  30 -13.464  -4.893  -0.309
  231    HA   PRO  31           HA       PRO  31 -17.623  -1.881  -4.414
  232    HB2  PRO  31           HB2      PRO  31 -18.508  -4.660  -4.763
  233    HB3  PRO  31           HB3      PRO  31 -18.346  -3.604  -5.779
  234    HG2  PRO  31           HG2      PRO  31 -16.191  -5.167  -5.770
  235    HG3  PRO  31           HG3      PRO  31 -16.021  -3.692  -6.041
  236    HD2  PRO  31           HD2      PRO  31 -15.297  -4.815  -3.363
  237    HD3  PRO  31           HD3      PRO  31 -14.576  -3.792  -4.188
  238    HA   PRO  32           HA       PRO  32 -20.779  -3.538  -1.023
  239    HB2  PRO  32           HB2      PRO  32 -19.023  -4.248   1.255
  240    HB3  PRO  32           HB3      PRO  32 -20.330  -4.797   0.915
  241    HG2  PRO  32           HG2      PRO  32 -18.509  -6.408  -0.111
  242    HG3  PRO  32           HG3      PRO  32 -19.679  -6.103  -1.002
  243    HD2  PRO  32           HD2      PRO  32 -17.083  -4.653  -1.457
  244    HD3  PRO  32           HD3      PRO  32 -17.953  -5.344  -2.438
  245    H    GLN  33           H        GLN  33 -17.930  -1.525  -0.623
  246    HA   GLN  33           HA       GLN  33 -19.483   0.435   1.027
  247    HB2  GLN  33           HB2      GLN  33 -16.509   0.202   0.720
  248    HB3  GLN  33           HB3      GLN  33 -17.172   1.492   1.318
  249    HG2  GLN  33           HG2      GLN  33 -16.914   0.386   3.330
  250    HG3  GLN  33           HG3      GLN  33 -18.385   0.134   3.095
  251   HE21  GLN  33          HE21      GLN  33 -15.254  -1.476   2.334
  252   HE22  GLN  33          HE22      GLN  33 -15.854  -3.122   2.544
  253    H    ALA  34           H        ALA  34 -19.012  -0.198  -2.142
  254    HA   ALA  34           HA       ALA  34 -18.836   0.948  -4.075
  255    HB1  ALA  34           HB1      ALA  34 -20.649   2.566  -4.331
  256    HB2  ALA  34           HB2      ALA  34 -21.160   1.191  -3.337
  257    HB3  ALA  34           HB3      ALA  34 -20.766   2.745  -2.566
  258    H    LEU  35           H        LEU  35 -16.531   1.481  -2.873
  259    HA   LEU  35           HA       LEU  35 -14.693   2.785  -2.854
  260    HB2  LEU  35           HB2      LEU  35 -15.935   4.654  -4.821
  261    HB3  LEU  35           HB3      LEU  35 -14.412   4.531  -4.550
  262    HG   LEU  35           HG       LEU  35 -16.000   2.191  -5.696
  263   HD11  LEU  35          HD11      LEU  35 -14.937   2.802  -7.820
  264   HD12  LEU  35          HD12      LEU  35 -14.180   4.220  -7.054
  265   HD13  LEU  35          HD13      LEU  35 -15.950   4.120  -7.210
  266   HD21  LEU  35          HD21      LEU  35 -13.771   1.324  -6.307
  267   HD22  LEU  35          HD22      LEU  35 -13.966   1.458  -4.556
  268   HD23  LEU  35          HD23      LEU  35 -13.000   2.671  -5.432
  269    HN1  NH2  36           H1       NHE  36 -17.142   3.645  -1.031
  270    HN2  NH2  36           H2       NHE  36 -16.535   5.163  -0.401
  Start of MODEL   14
    1    H1   ARG   1           H1       ARG   1   8.768  12.210  -4.107
    2    H2   ARG   1           H2       ARG   1   8.297  10.742  -3.560
    3    H3   ARG   1           H3       ARG   1   9.104  10.874  -4.981
    4    HA   ARG   1           HA       ARG   1  10.229  11.537  -2.337
    5    HB2  ARG   1           HB2      ARG   1  10.704   9.086  -4.024
    6    HB3  ARG   1           HB3      ARG   1  11.828   9.530  -3.066
    7    HG2  ARG   1           HG2      ARG   1   9.145   8.693  -2.008
    8    HG3  ARG   1           HG3      ARG   1  10.439   7.848  -1.980
    9    HD2  ARG   1           HD2      ARG   1  11.505   9.900  -0.593
   10    HD3  ARG   1           HD3      ARG   1  10.090  10.470  -0.479
   11    HE   ARG   1           HE       ARG   1   9.743   7.791   0.354
   12   HH11  ARG   1          HH11      ARG   1  11.359  10.692   1.517
   13   HH12  ARG   1          HH12      ARG   1  11.493  10.061   3.133
   14   HH21  ARG   1          HH21      ARG   1  10.161   6.994   2.326
   15   HH22  ARG   1          HH22      ARG   1  10.765   8.031   3.611
   16    H    ASP   2           H        ASP   2  12.576  11.830  -2.362
   17    HA   ASP   2           HA       ASP   2  13.644  12.983  -4.903
   18    HB2  ASP   2           HB2      ASP   2  12.851  14.764  -3.248
   19    HB3  ASP   2           HB3      ASP   2  13.732  14.240  -2.144
   20    HA   PRO   3           HA       PRO   3  17.467  11.293  -2.653
   21    HB2  PRO   3           HB2      PRO   3  17.468  10.070  -0.280
   22    HB3  PRO   3           HB3      PRO   3  17.476  11.587  -0.379
   23    HG2  PRO   3           HG2      PRO   3  14.956  10.159   0.314
   24    HG3  PRO   3           HG3      PRO   3  15.492  11.376   0.917
   25    HD2  PRO   3           HD2      PRO   3  13.778  11.970  -1.083
   26    HD3  PRO   3           HD3      PRO   3  14.962  12.898  -0.791
   27    H    LEU   4           H        LEU   4  14.581   9.271  -2.191
   28    HA   LEU   4           HA       LEU   4  14.056   7.126  -2.649
   29    HB2  LEU   4           HB2      LEU   4  14.472   8.577  -5.006
   30    HB3  LEU   4           HB3      LEU   4  15.276   7.364  -5.375
   31    HG   LEU   4           HG       LEU   4  12.401   7.106  -4.359
   32   HD11  LEU   4          HD11      LEU   4  12.530   8.362  -6.474
   33   HD12  LEU   4          HD12      LEU   4  11.787   6.773  -6.715
   34   HD13  LEU   4          HD13      LEU   4  13.475   7.045  -7.207
   35   HD21  LEU   4          HD21      LEU   4  14.138   5.055  -5.795
   36   HD22  LEU   4          HD22      LEU   4  12.416   4.863  -5.391
   37   HD23  LEU   4          HD23      LEU   4  13.616   4.979  -4.099
   38    H    LEU   5           H        LEU   5  16.504   7.122  -1.215
   39    HA   LEU   5           HA       LEU   5  18.362   5.234  -2.406
   40    HB2  LEU   5           HB2      LEU   5  18.226   6.063   0.478
   41    HB3  LEU   5           HB3      LEU   5  19.398   5.256  -0.132
   42    HG   LEU   5           HG       LEU   5  18.707   8.067  -1.081
   43   HD11  LEU   5          HD11      LEU   5  19.597   7.976   1.216
   44   HD12  LEU   5          HD12      LEU   5  20.753   8.717   0.099
   45   HD13  LEU   5          HD13      LEU   5  20.996   7.041   0.641
   46   HD21  LEU   5          HD21      LEU   5  19.794   6.849  -2.903
   47   HD22  LEU   5          HD22      LEU   5  21.058   6.259  -1.794
   48   HD23  LEU   5          HD23      LEU   5  20.936   7.988  -2.192
   49    H    ASP   6           H        ASP   6  15.543   4.820  -0.347
   50    HA   ASP   6           HA       ASP   6  15.840   1.863  -0.569
   51    HB2  ASP   6           HB2      ASP   6  16.713   2.983   1.722
   52    HB3  ASP   6           HB3      ASP   6  15.270   3.236   2.084
   53    H    ALA   7           H        ALA   7  13.785   4.400  -1.074
   54    HA   ALA   7           HA       ALA   7  11.329   3.718   0.089
   55    HB1  ALA   7           HB1      ALA   7  11.820   5.853  -1.012
   56    HB2  ALA   7           HB2      ALA   7  11.837   5.040  -2.598
   57    HB3  ALA   7           HB3      ALA   7  10.342   5.112  -1.649
   58    H    NLE   8           H        NLE   8  12.765   2.445  -2.903
   59    HA   NLE   8           HA       NLE   8  10.561   1.066  -3.923
   60    HB2  NLE   8           HB2      NLE   8  12.003  -0.054  -5.360
   61    HB3  NLE   8           HB3      NLE   8  12.708   1.526  -5.119
   62    HG2  NLE   8           HG2      NLE   8  13.629  -1.106  -3.864
   63    HG3  NLE   8           HG3      NLE   8  14.380  -0.285  -5.216
   64    HD2  NLE   8           HD2      NLE   8  14.302   0.741  -2.349
   65    HD3  NLE   8           HD3      NLE   8  15.668  -0.008  -3.163
   66    HE1  NLE   8           HE1      NLE   8  15.982   2.398  -3.158
   67    HE2  NLE   8           HE2      NLE   8  15.707   1.859  -4.825
   68    HE3  NLE   8           HE3      NLE   8  14.405   2.663  -3.916
   69    H    ARG   9           H        ARG   9  12.398   0.182  -1.114
   70    HA   ARG   9           HA       ARG   9  11.110  -2.535  -1.011
   71    HB2  ARG   9           HB2      ARG   9  13.032  -1.460   1.023
   72    HB3  ARG   9           HB3      ARG   9  12.445  -2.894   0.998
   73    HG2  ARG   9           HG2      ARG   9  13.652  -3.075  -1.408
   74    HG3  ARG   9           HG3      ARG   9  14.374  -1.786  -1.075
   75    HD2  ARG   9           HD2      ARG   9  14.782  -4.285   0.571
   76    HD3  ARG   9           HD3      ARG   9  15.822  -3.586  -0.318
   77    HE   ARG   9           HE       ARG   9  15.624  -1.522   1.230
   78   HH11  ARG   9          HH11      ARG   9  15.232  -4.773   2.498
   79   HH12  ARG   9          HH12      ARG   9  15.402  -4.221   4.143
   80   HH21  ARG   9          HH21      ARG   9  15.642  -0.886   3.267
   81   HH22  ARG   9          HH22      ARG   9  15.699  -2.058   4.572
   82    H    ARG  10           H        ARG  10  11.587   0.251   1.180
   83    HA   ARG  10           HA       ARG  10   9.642  -0.719   3.038
   84    HB2  ARG  10           HB2      ARG  10  10.443   1.095   4.367
   85    HB3  ARG  10           HB3      ARG  10  11.663   0.561   3.607
   86    HG2  ARG  10           HG2      ARG  10  10.899   2.556   1.832
   87    HG3  ARG  10           HG3      ARG  10  10.191   3.142   3.033
   88    HD2  ARG  10           HD2      ARG  10  13.182   2.670   3.041
   89    HD3  ARG  10           HD3      ARG  10  12.485   4.040   2.875
   90    HE   ARG  10           HE       ARG  10  11.537   3.845   5.176
   91   HH11  ARG  10          HH11      ARG  10  14.334   1.753   4.475
   92   HH12  ARG  10          HH12      ARG  10  14.795   1.764   6.154
   93   HH21  ARG  10          HH21      ARG  10  12.221   3.729   7.259
   94   HH22  ARG  10          HH22      ARG  10  13.641   2.813   7.669
   95    H    GLU  11           H        GLU  11   9.244   1.633   0.457
   96    HA   GLU  11           HA       GLU  11   6.392   2.098   1.280
   97    HB2  GLU  11           HB2      GLU  11   8.032   3.657  -0.701
   98    HB3  GLU  11           HB3      GLU  11   6.531   3.891  -0.519
   99    HG2  GLU  11           HG2      GLU  11   6.740   4.787   1.701
  100    HG3  GLU  11           HG3      GLU  11   7.906   3.916   2.130
  101    H    GLY  12           H        GLY  12   8.436   0.734  -1.296
  102    HA2  GLY  12           HA2      GLY  12   6.453  -0.062  -3.154
  103    HA3  GLY  12           HA3      GLY  12   7.931  -0.960  -2.775
  104    H    ALA  13           H        ALA  13   7.483  -1.726  -0.107
  105    HA   ALA  13           HA       ALA  13   5.693  -3.913  -0.263
  106    HB1  ALA  13           HB1      ALA  13   7.602  -3.826   1.264
  107    HB2  ALA  13           HB2      ALA  13   6.851  -2.490   2.169
  108    HB3  ALA  13           HB3      ALA  13   6.102  -4.103   2.167
  109    H    NLE  14           H        NLE  14   5.153  -0.688   1.251
  110    HA   NLE  14           HA       NLE  14   2.501  -1.235   2.184
  111    HB2  NLE  14           HB2      NLE  14   3.837   1.388   1.420
  112    HB3  NLE  14           HB3      NLE  14   2.240   1.258   2.167
  113    HG2  NLE  14           HG2      NLE  14   3.252   0.018   4.087
  114    HG3  NLE  14           HG3      NLE  14   4.857   0.296   3.407
  115    HD2  NLE  14           HD2      NLE  14   2.892   2.481   4.239
  116    HD3  NLE  14           HD3      NLE  14   4.225   1.883   5.229
  117    HE1  NLE  14           HE1      NLE  14   5.859   2.671   3.542
  118    HE2  NLE  14           HE2      NLE  14   4.524   3.313   2.550
  119    HE3  NLE  14           HE3      NLE  14   4.847   3.989   4.157
  120    H    ASP  15           H        ASP  15   3.702  -0.034  -0.954
  121    HA   ASP  15           HA       ASP  15   1.163   0.477  -2.143
  122    HB2  ASP  15           HB2      ASP  15   3.585   1.133  -2.942
  123    HB3  ASP  15           HB3      ASP  15   3.769  -0.253  -3.520
  124    H    PHE  16           H        PHE  16   2.599  -2.617  -1.461
  125    HA   PHE  16           HA       PHE  16   0.431  -3.859  -3.104
  126    HB2  PHE  16           HB2      PHE  16   1.773  -5.722  -3.570
  127    HB3  PHE  16           HB3      PHE  16   2.494  -4.444  -4.099
  128    HD1  PHE  16           HD1      PHE  16   2.533  -6.556  -0.941
  129    HD2  PHE  16           HD2      PHE  16   4.805  -4.341  -3.866
  130    HE1  PHE  16           HE1      PHE  16   4.641  -7.360   0.080
  131    HE2  PHE  16           HE2      PHE  16   6.911  -5.177  -2.860
  132    HZ   PHE  16           HZ       PHE  16   6.835  -6.690  -0.884
  133    H    TRP  17           H        TRP  17   1.574  -3.515   0.160
  134    HA   TRP  17           HA       TRP  17  -0.249  -5.509   1.262
  135    HB2  TRP  17           HB2      TRP  17   1.478  -4.302   2.653
  136    HB3  TRP  17           HB3      TRP  17   0.896  -2.908   2.332
  137    HD1  TRP  17           HD1      TRP  17  -0.638  -1.874   4.047
  138    HE1  TRP  17           HE1      TRP  17  -2.105  -2.677   5.995
  139    HE3  TRP  17           HE3      TRP  17  -0.150  -6.940   3.403
  140    HZ2  TRP  17           HZ2      TRP  17  -2.946  -5.186   7.140
  141    HZ3  TRP  17           HZ3      TRP  17  -1.285  -8.512   4.957
  142    HH2  TRP  17           HH2      TRP  17  -2.651  -7.649   6.843
  143    H    SER  18           H        SER  18  -0.576  -1.987   0.558
  144    HA   SER  18           HA       SER  18  -3.349  -1.816   1.203
  145    HB2  SER  18           HB2      SER  18  -3.144   0.436   0.182
  146    HB3  SER  18           HB3      SER  18  -1.952   0.158   1.125
  147    HG   SER  18           HG       SER  18  -0.581  -0.161  -0.538
  148    H    ALA  19           H        ALA  19  -1.940  -3.276  -1.586
  149    HA   ALA  19           HA       ALA  19  -4.172  -3.001  -3.388
  150    HB1  ALA  19           HB1      ALA  19  -1.871  -3.635  -4.080
  151    HB2  ALA  19           HB2      ALA  19  -2.054  -5.185  -3.221
  152    HB3  ALA  19           HB3      ALA  19  -3.085  -4.811  -4.612
  153    H    GLY  20           H        GLY  20  -3.918  -4.769  -0.438
  154    HA2  GLY  20           HA2      GLY  20  -6.511  -6.135  -1.003
  155    HA3  GLY  20           HA3      GLY  20  -5.128  -7.126  -0.538
  156    H    ABA  21           H        ABU  21  -4.209  -4.970   1.374
  157    HA   ABA  21           HA       ABU  21  -4.178  -4.764   3.610
  158    HB3  ABA  21           HB3      ABU  21  -6.871  -3.499   3.054
  159    HB2  ABA  21           HB2      ABU  21  -5.316  -2.799   2.592
  160    HG1  ABA  21           HG1      ABU  21  -6.089  -1.816   4.690
  161    HG3  ABA  21           HG3      ABU  21  -4.617  -2.765   4.977
  162    HG2  ABA  21           HG2      ABU  21  -6.206  -3.417   5.442
  163    H    TYR  22           H        TYR  22  -4.127  -6.613   4.726
  164    HA   TYR  22           HA       TYR  22  -4.680  -8.419   5.932
  165    HB2  TYR  22           HB2      TYR  22  -7.499  -7.578   6.332
  166    HB3  TYR  22           HB3      TYR  22  -6.701  -8.606   7.199
  167    HD1  TYR  22           HD1      TYR  22  -4.640  -7.859   8.581
  168    HD2  TYR  22           HD2      TYR  22  -7.531  -5.147   6.879
  169    HE1  TYR  22           HE1      TYR  22  -3.990  -6.116  10.244
  170    HE2  TYR  22           HE2      TYR  22  -6.889  -3.412   8.544
  171    HH   TYR  22           HH       TYR  22  -5.561  -2.894  10.337
  172    H    ALA  23           H        ALA  23  -5.056  -8.329   2.981
  173    HA   ALA  23           HA       ALA  23  -5.956  -9.432   1.218
  174    HB1  ALA  23           HB1      ALA  23  -5.842 -11.865   1.349
  175    HB2  ALA  23           HB2      ALA  23  -4.464 -11.131   2.190
  176    HB3  ALA  23           HB3      ALA  23  -5.823 -11.798   3.125
  177    H    ARG  24           H        ARG  24  -7.812  -7.973   2.432
  178    HA   ARG  24           HA       ARG  24 -10.379  -9.519   2.544
  179    HB2  ARG  24           HB2      ARG  24  -9.487  -8.668   4.688
  180    HB3  ARG  24           HB3      ARG  24  -9.260  -7.198   4.152
  181    HG2  ARG  24           HG2      ARG  24 -11.238  -7.130   5.509
  182    HG3  ARG  24           HG3      ARG  24 -11.555  -6.636   4.104
  183    HD2  ARG  24           HD2      ARG  24 -12.489  -9.113   3.640
  184    HD3  ARG  24           HD3      ARG  24 -12.216  -9.434   5.117
  185    HE   ARG  24           HE       ARG  24 -14.089  -8.241   5.786
  186   HH11  ARG  24          HH11      ARG  24 -13.212  -7.019   2.604
  187   HH12  ARG  24          HH12      ARG  24 -14.652  -6.029   2.494
  188   HH21  ARG  24          HH21      ARG  24 -15.896  -6.915   5.560
  189   HH22  ARG  24          HH22      ARG  24 -16.084  -5.978   4.100
  190    H    GLY  25           H        GLY  25  -8.842  -7.724   0.405
  191    HA2  GLY  25           HA2      GLY  25  -9.710  -6.873  -1.583
  192    HA3  GLY  25           HA3      GLY  25 -11.327  -6.818  -0.877
  193    H    VAL  26           H        VAL  26  -8.688  -5.307   0.841
  194    HA   VAL  26           HA       VAL  26  -8.561  -3.246   1.738
  195    HB   VAL  26           HB       VAL  26  -7.051  -3.080   0.002
  196   HG11  VAL  26          HG11      VAL  26  -9.193  -1.950  -1.827
  197   HG12  VAL  26          HG12      VAL  26  -7.446  -1.941  -2.138
  198   HG13  VAL  26          HG13      VAL  26  -8.307  -3.476  -2.023
  199   HG21  VAL  26          HG21      VAL  26  -8.514  -0.433   0.203
  200   HG22  VAL  26          HG22      VAL  26  -7.429  -1.111   1.445
  201   HG23  VAL  26          HG23      VAL  26  -6.807  -0.683  -0.153
  202    HA   PRO  27           HA       PRO  27 -13.080  -2.859   1.973
  203    HB2  PRO  27           HB2      PRO  27 -12.517  -1.530   4.571
  204    HB3  PRO  27           HB3      PRO  27 -13.606  -2.443   4.240
  205    HG2  PRO  27           HG2      PRO  27 -11.598  -3.893   5.172
  206    HG3  PRO  27           HG3      PRO  27 -12.342  -4.452   3.977
  207    HD2  PRO  27           HD2      PRO  27  -9.648  -3.248   3.599
  208    HD3  PRO  27           HD3      PRO  27 -10.261  -4.442   2.933
  209    H    LEU  28           H        LEU  28 -11.052   0.054   2.630
  210    HA   LEU  28           HA       LEU  28 -13.145   1.918   2.102
  211    HB2  LEU  28           HB2      LEU  28 -11.457   3.563   2.284
  212    HB3  LEU  28           HB3      LEU  28 -11.373   2.560   3.505
  213    HG   LEU  28           HG       LEU  28  -9.204   3.353   2.773
  214   HD11  LEU  28          HD11      LEU  28  -7.949   1.337   2.901
  215   HD12  LEU  28          HD12      LEU  28  -9.299   0.354   2.332
  216   HD13  LEU  28          HD13      LEU  28  -9.379   1.153   3.926
  217   HD21  LEU  28          HD21      LEU  28  -9.602   3.458   0.327
  218   HD22  LEU  28          HD22      LEU  28  -9.482   1.687   0.258
  219   HD23  LEU  28          HD23      LEU  28  -8.089   2.650   0.772
  220    H    SER  29           H        SER  29 -11.559   0.014  -0.164
  221    HA   SER  29           HA       SER  29 -12.661   1.641  -2.406
  222    HB2  SER  29           HB2      SER  29  -9.956   0.287  -2.576
  223    HB3  SER  29           HB3      SER  29 -10.712   0.885  -3.788
  224    HG   SER  29           HG       SER  29  -9.253   2.376  -2.858
  225    H    GLU  30           H        GLU  30 -13.329  -1.015  -0.775
  226    HA   GLU  30           HA       GLU  30 -13.307  -3.161  -2.660
  227    HB2  GLU  30           HB2      GLU  30 -14.142  -2.839  -0.005
  228    HB3  GLU  30           HB3      GLU  30 -15.526  -2.958  -0.668
  229    HG2  GLU  30           HG2      GLU  30 -14.507  -5.173  -1.808
  230    HG3  GLU  30           HG3      GLU  30 -13.347  -5.059  -0.826
  231    HA   PRO  31           HA       PRO  31 -16.615  -1.823  -5.390
  232    HB2  PRO  31           HB2      PRO  31 -17.604  -4.266  -6.277
  233    HB3  PRO  31           HB3      PRO  31 -16.577  -3.384  -6.956
  234    HG2  PRO  31           HG2      PRO  31 -15.727  -5.755  -5.518
  235    HG3  PRO  31           HG3      PRO  31 -14.993  -5.028  -6.568
  236    HD2  PRO  31           HD2      PRO  31 -14.085  -4.504  -4.050
  237    HD3  PRO  31           HD3      PRO  31 -13.878  -3.517  -5.205
  238    HA   PRO  32           HA       PRO  32 -20.412  -3.492  -2.727
  239    HB2  PRO  32           HB2      PRO  32 -19.102  -4.285  -0.186
  240    HB3  PRO  32           HB3      PRO  32 -20.347  -4.785  -0.751
  241    HG2  PRO  32           HG2      PRO  32 -18.418  -6.434  -1.486
  242    HG3  PRO  32           HG3      PRO  32 -19.423  -6.088  -2.551
  243    HD2  PRO  32           HD2      PRO  32 -16.743  -4.746  -2.579
  244    HD3  PRO  32           HD3      PRO  32 -17.516  -5.352  -3.708
  245    H    GLN  33           H        GLN  33 -17.629  -1.576  -1.672
  246    HA   GLN  33           HA       GLN  33 -19.419   0.340  -0.229
  247    HB2  GLN  33           HB2      GLN  33 -16.427   0.115  -0.171
  248    HB3  GLN  33           HB3      GLN  33 -17.148   1.407   0.351
  249    HG2  GLN  33           HG2      GLN  33 -17.162   0.273   2.367
  250    HG3  GLN  33           HG3      GLN  33 -18.595   0.040   1.943
  251   HE21  GLN  33          HE21      GLN  33 -15.409  -1.583   1.707
  252   HE22  GLN  33          HE22      GLN  33 -16.042  -3.231   1.745
  253    H    ALA  34           H        ALA  34 -18.233  -0.133  -3.339
  254    HA   ALA  34           HA       ALA  34 -17.736   1.166  -5.121
  255    HB1  ALA  34           HB1      ALA  34 -19.591   2.637  -5.723
  256    HB2  ALA  34           HB2      ALA  34 -20.185   1.155  -4.951
  257    HB3  ALA  34           HB3      ALA  34 -20.139   2.677  -4.031
  258    H    LEU  35           H        LEU  35 -15.875   1.801  -3.326
  259    HA   LEU  35           HA       LEU  35 -14.223   3.229  -2.784
  260    HB2  LEU  35           HB2      LEU  35 -15.071   5.237  -4.799
  261    HB3  LEU  35           HB3      LEU  35 -13.639   5.052  -4.220
  262    HG   LEU  35           HG       LEU  35 -14.976   3.011  -6.045
  263   HD11  LEU  35          HD11      LEU  35 -13.308   3.769  -7.673
  264   HD12  LEU  35          HD12      LEU  35 -12.668   4.944  -6.502
  265   HD13  LEU  35          HD13      LEU  35 -14.318   5.123  -7.139
  266   HD21  LEU  35          HD21      LEU  35 -12.701   1.984  -6.166
  267   HD22  LEU  35          HD22      LEU  35 -13.443   1.827  -4.575
  268   HD23  LEU  35          HD23      LEU  35 -12.173   3.048  -4.842
  269    HN1  NH2  36           H1       NHE  36 -17.163   3.791  -1.635
  270    HN2  NH2  36           H2       NHE  36 -16.857   5.275  -0.754
  Start of MODEL   15
    1    H1   ARG   1           H1       ARG   1   8.679  12.432  -2.432
    2    H2   ARG   1           H2       ARG   1   8.258  10.912  -2.001
    3    H3   ARG   1           H3       ARG   1   8.910  11.201  -3.476
    4    HA   ARG   1           HA       ARG   1  10.315  11.578  -0.911
    5    HB2  ARG   1           HB2      ARG   1  10.599   9.326  -2.893
    6    HB3  ARG   1           HB3      ARG   1  11.813   9.668  -2.008
    7    HG2  ARG   1           HG2      ARG   1   9.234   8.735  -0.782
    8    HG3  ARG   1           HG3      ARG   1  10.498   7.873  -0.986
    9    HD2  ARG   1           HD2      ARG   1  11.785   9.682   0.505
   10    HD3  ARG   1           HD3      ARG   1  10.430  10.337   0.801
   11    HE   ARG   1           HE       ARG   1   9.935   7.628   1.405
   12   HH11  ARG   1          HH11      ARG   1  11.904  10.251   2.682
   13   HH12  ARG   1          HH12      ARG   1  12.078   9.469   4.228
   14   HH21  ARG   1          HH21      ARG   1  10.369   6.635   3.281
   15   HH22  ARG   1          HH22      ARG   1  11.174   7.486   4.592
   16    H    ASP   2           H        ASP   2  12.649  11.875  -1.153
   17    HA   ASP   2           HA       ASP   2  13.505  13.192  -3.682
   18    HB2  ASP   2           HB2      ASP   2  12.752  14.923  -1.953
   19    HB3  ASP   2           HB3      ASP   2  13.709  14.413  -0.911
   20    HA   PRO   3           HA       PRO   3  17.492  11.582  -1.665
   21    HB2  PRO   3           HB2      PRO   3  17.668  10.359   0.699
   22    HB3  PRO   3           HB3      PRO   3  17.619  11.872   0.610
   23    HG2  PRO   3           HG2      PRO   3  15.181  10.360   1.419
   24    HG3  PRO   3           HG3      PRO   3  15.716  11.582   2.014
   25    HD2  PRO   3           HD2      PRO   3  13.886  12.170   0.120
   26    HD3  PRO   3           HD3      PRO   3  15.071  13.116   0.351
   27    H    LEU   4           H        LEU   4  14.645   9.545  -1.173
   28    HA   LEU   4           HA       LEU   4  14.144   7.377  -1.577
   29    HB2  LEU   4           HB2      LEU   4  14.484   8.810  -3.949
   30    HB3  LEU   4           HB3      LEU   4  15.325   7.628  -4.324
   31    HG   LEU   4           HG       LEU   4  12.481   7.256  -3.260
   32   HD11  LEU   4          HD11      LEU   4  13.493   7.259  -6.130
   33   HD12  LEU   4          HD12      LEU   4  12.511   8.528  -5.365
   34   HD13  LEU   4          HD13      LEU   4  11.830   6.911  -5.604
   35   HD21  LEU   4          HD21      LEU   4  14.268   5.290  -4.752
   36   HD22  LEU   4          HD22      LEU   4  12.568   5.021  -4.303
   37   HD23  LEU   4          HD23      LEU   4  13.799   5.180  -3.045
   38    H    LEU   5           H        LEU   5  16.494   7.368  -0.119
   39    HA   LEU   5           HA       LEU   5  18.542   5.744  -1.300
   40    HB2  LEU   5           HB2      LEU   5  18.220   7.208   1.141
   41    HB3  LEU   5           HB3      LEU   5  18.457   5.808   1.662
   42    HG   LEU   5           HG       LEU   5  20.348   7.089  -0.370
   43   HD11  LEU   5          HD11      LEU   5  20.355   8.229   1.817
   44   HD12  LEU   5          HD12      LEU   5  21.874   7.365   1.538
   45   HD13  LEU   5          HD13      LEU   5  20.654   6.678   2.634
   46   HD21  LEU   5          HD21      LEU   5  20.530   4.654  -0.516
   47   HD22  LEU   5          HD22      LEU   5  20.650   4.524   1.254
   48   HD23  LEU   5          HD23      LEU   5  21.945   5.301   0.314
   49    H    ASP   6           H        ASP   6  15.737   4.918   0.674
   50    HA   ASP   6           HA       ASP   6  16.178   2.027   0.094
   51    HB2  ASP   6           HB2      ASP   6  16.959   2.861   2.517
   52    HB3  ASP   6           HB3      ASP   6  15.502   3.068   2.872
   53    H    ALA   7           H        ALA   7  14.026   4.546  -0.107
   54    HA   ALA   7           HA       ALA   7  11.586   3.572   0.874
   55    HB1  ALA   7           HB1      ALA   7  11.983   5.887   0.182
   56    HB2  ALA   7           HB2      ALA   7  12.085   5.376  -1.520
   57    HB3  ALA   7           HB3      ALA   7  10.564   5.206  -0.633
   58    H    NLE   8           H        NLE   8  13.181   2.790  -2.201
   59    HA   NLE   8           HA       NLE   8  11.025   1.627  -3.548
   60    HB2  NLE   8           HB2      NLE   8  12.523   0.746  -5.075
   61    HB3  NLE   8           HB3      NLE   8  13.257   2.233  -4.527
   62    HG2  NLE   8           HG2      NLE   8  14.030  -0.609  -3.699
   63    HG3  NLE   8           HG3      NLE   8  14.875   0.394  -4.857
   64    HD2  NLE   8           HD2      NLE   8  14.676   0.950  -1.867
   65    HD3  NLE   8           HD3      NLE   8  16.056   0.273  -2.723
   66    HE1  NLE   8           HE1      NLE   8  16.477   2.622  -2.341
   67    HE2  NLE   8           HE2      NLE   8  16.233   2.377  -4.078
   68    HE3  NLE   8           HE3      NLE   8  14.938   3.082  -3.083
   69    H    ARG   9           H        ARG   9  12.706   0.266  -0.828
   70    HA   ARG   9           HA       ARG   9  11.517  -2.449  -1.268
   71    HB2  ARG   9           HB2      ARG   9  13.111  -1.611   1.132
   72    HB3  ARG   9           HB3      ARG   9  12.620  -3.048   0.833
   73    HG2  ARG   9           HG2      ARG   9  14.082  -2.833  -1.414
   74    HG3  ARG   9           HG3      ARG   9  14.684  -1.565  -0.841
   75    HD2  ARG   9           HD2      ARG   9  15.059  -4.235   0.525
   76    HD3  ARG   9           HD3      ARG   9  16.142  -3.418  -0.203
   77    HE   ARG   9           HE       ARG   9  15.791  -1.543   1.531
   78   HH11  ARG   9          HH11      ARG   9  15.368  -4.919   2.403
   79   HH12  ARG   9          HH12      ARG   9  15.485  -4.564   4.104
   80   HH21  ARG   9          HH21      ARG   9  15.751  -1.150   3.638
   81   HH22  ARG   9          HH22      ARG   9  15.759  -2.471   4.793
   82    H    ARG  10           H        ARG  10  11.541  -0.056   1.364
   83    HA   ARG  10           HA       ARG  10   9.362  -1.307   2.745
   84    HB2  ARG  10           HB2      ARG  10   9.854   0.381   4.411
   85    HB3  ARG  10           HB3      ARG  10  11.174  -0.232   3.889
   86    HG2  ARG  10           HG2      ARG  10  10.888   2.050   2.231
   87    HG3  ARG  10           HG3      ARG  10  10.174   2.563   3.452
   88    HD2  ARG  10           HD2      ARG  10  13.030   1.548   3.638
   89    HD3  ARG  10           HD3      ARG  10  12.638   3.037   3.528
   90    HE   ARG  10           HE       ARG  10  11.199   2.548   5.711
   91   HH11  ARG  10          HH11      ARG  10  14.437   1.257   5.040
   92   HH12  ARG  10          HH12      ARG  10  14.851   1.306   6.733
   93   HH21  ARG  10          HH21      ARG  10  11.833   2.509   7.823
   94   HH22  ARG  10          HH22      ARG  10  13.427   1.962   8.251
   95    H    GLU  11           H        GLU  11   9.371   1.698   0.814
   96    HA   GLU  11           HA       GLU  11   6.436   2.015   1.224
   97    HB2  GLU  11           HB2      GLU  11   8.340   3.807  -0.268
   98    HB3  GLU  11           HB3      GLU  11   6.838   4.061  -0.245
   99    HG2  GLU  11           HG2      GLU  11   6.753   4.536   2.123
  100    HG3  GLU  11           HG3      GLU  11   7.880   3.604   2.527
  101    H    GLY  12           H        GLY  12   8.754   0.934  -1.232
  102    HA2  GLY  12           HA2      GLY  12   6.996   0.472  -3.418
  103    HA3  GLY  12           HA3      GLY  12   8.398  -0.520  -2.991
  104    H    ALA  13           H        ALA  13   7.647  -1.627  -0.533
  105    HA   ALA  13           HA       ALA  13   5.758  -3.649  -1.183
  106    HB1  ALA  13           HB1      ALA  13   7.550  -3.949   0.460
  107    HB2  ALA  13           HB2      ALA  13   6.802  -2.741   1.531
  108    HB3  ALA  13           HB3      ALA  13   5.969  -4.274   1.190
  109    H    NLE  14           H        NLE  14   5.303  -0.678   0.817
  110    HA   NLE  14           HA       NLE  14   2.596  -1.118   1.524
  111    HB2  NLE  14           HB2      NLE  14   4.091   1.477   1.018
  112    HB3  NLE  14           HB3      NLE  14   2.453   1.397   1.667
  113    HG2  NLE  14           HG2      NLE  14   3.192   0.159   3.623
  114    HG3  NLE  14           HG3      NLE  14   4.836   0.041   2.989
  115    HD2  NLE  14           HD2      NLE  14   5.006   2.549   3.029
  116    HD3  NLE  14           HD3      NLE  14   3.391   2.616   3.758
  117    HE1  NLE  14           HE1      NLE  14   5.151   2.801   5.476
  118    HE2  NLE  14           HE2      NLE  14   4.223   1.302   5.701
  119    HE3  NLE  14           HE3      NLE  14   5.843   1.247   4.962
  120    H    ASP  15           H        ASP  15   3.946   0.285  -1.472
  121    HA   ASP  15           HA       ASP  15   1.498   1.107  -2.643
  122    HB2  ASP  15           HB2      ASP  15   3.988   1.581  -3.366
  123    HB3  ASP  15           HB3      ASP  15   4.038   0.239  -4.062
  124    H    PHE  16           H        PHE  16   2.646  -2.161  -2.276
  125    HA   PHE  16           HA       PHE  16   0.384  -3.052  -4.022
  126    HB2  PHE  16           HB2      PHE  16   1.612  -4.950  -4.703
  127    HB3  PHE  16           HB3      PHE  16   2.388  -3.666  -5.124
  128    HD1  PHE  16           HD1      PHE  16   2.370  -6.174  -2.289
  129    HD2  PHE  16           HD2      PHE  16   4.705  -3.551  -4.797
  130    HE1  PHE  16           HE1      PHE  16   4.457  -7.144  -1.368
  131    HE2  PHE  16           HE2      PHE  16   6.788  -4.550  -3.898
  132    HZ   PHE  16           HZ       PHE  16   6.671  -6.349  -2.182
  133    H    TRP  17           H        TRP  17   1.669  -3.196  -0.785
  134    HA   TRP  17           HA       TRP  17  -0.190  -5.226   0.156
  135    HB2  TRP  17           HB2      TRP  17   1.716  -4.261   1.543
  136    HB3  TRP  17           HB3      TRP  17   1.118  -2.841   1.512
  137    HD1  TRP  17           HD1      TRP  17  -0.349  -2.122   3.458
  138    HE1  TRP  17           HE1      TRP  17  -1.624  -3.268   5.368
  139    HE3  TRP  17           HE3      TRP  17   0.271  -7.007   2.029
  140    HZ2  TRP  17           HZ2      TRP  17  -2.268  -5.956   6.189
  141    HZ3  TRP  17           HZ3      TRP  17  -0.679  -8.844   3.408
  142    HH2  TRP  17           HH2      TRP  17  -1.921  -8.334   5.498
  143    H    SER  18           H        SER  18  -0.387  -1.621  -0.029
  144    HA   SER  18           HA       SER  18  -3.069  -1.438   0.917
  145    HB2  SER  18           HB2      SER  18  -2.851   0.925   0.206
  146    HB3  SER  18           HB3      SER  18  -1.568   0.475   0.929
  147    HG   SER  18           HG       SER  18  -0.443   0.341  -0.937
  148    H    ALA  19           H        ALA  19  -1.953  -2.364  -2.251
  149    HA   ALA  19           HA       ALA  19  -4.330  -1.826  -3.750
  150    HB1  ALA  19           HB1      ALA  19  -2.105  -2.323  -4.733
  151    HB2  ALA  19           HB2      ALA  19  -2.227  -3.998  -4.139
  152    HB3  ALA  19           HB3      ALA  19  -3.367  -3.401  -5.358
  153    H    GLY  20           H        GLY  20  -3.809  -4.148  -1.244
  154    HA2  GLY  20           HA2      GLY  20  -6.464  -5.414  -1.834
  155    HA3  GLY  20           HA3      GLY  20  -5.054  -6.410  -1.476
  156    H    ABA  21           H        ABU  21  -4.180  -4.297   0.557
  157    HA   ABA  21           HA       ABU  21  -4.108  -4.193   2.795
  158    HB3  ABA  21           HB3      ABU  21  -6.947  -3.202   2.416
  159    HB2  ABA  21           HB2      ABU  21  -5.500  -2.305   1.945
  160    HG1  ABA  21           HG1      ABU  21  -6.285  -1.551   4.133
  161    HG3  ABA  21           HG3      ABU  21  -4.699  -2.332   4.292
  162    HG2  ABA  21           HG2      ABU  21  -6.175  -3.197   4.783
  163    H    TYR  22           H        TYR  22  -3.809  -6.268   3.483
  164    HA   TYR  22           HA       TYR  22  -4.117  -8.184   4.604
  165    HB2  TYR  22           HB2      TYR  22  -6.977  -7.668   5.215
  166    HB3  TYR  22           HB3      TYR  22  -6.069  -8.766   5.879
  167    HD1  TYR  22           HD1      TYR  22  -3.994  -8.126   7.259
  168    HD2  TYR  22           HD2      TYR  22  -7.129  -5.365   6.180
  169    HE1  TYR  22           HE1      TYR  22  -3.360  -6.654   9.170
  170    HE2  TYR  22           HE2      TYR  22  -6.501  -3.901   8.093
  171    HH   TYR  22           HH       TYR  22  -5.112  -3.610   9.894
  172    H    ALA  23           H        ALA  23  -4.615  -7.829   1.695
  173    HA   ALA  23           HA       ALA  23  -5.458  -8.857  -0.147
  174    HB1  ALA  23           HB1      ALA  23  -5.078 -11.263  -0.258
  175    HB2  ALA  23           HB2      ALA  23  -3.754 -10.463   0.607
  176    HB3  ALA  23           HB3      ALA  23  -4.990 -11.361   1.514
  177    H    ARG  24           H        ARG  24  -7.394  -7.719   1.199
  178    HA   ARG  24           HA       ARG  24  -9.773  -9.529   1.419
  179    HB2  ARG  24           HB2      ARG  24  -8.777  -8.744   3.522
  180    HB3  ARG  24           HB3      ARG  24  -8.680  -7.227   3.059
  181    HG2  ARG  24           HG2      ARG  24 -10.503  -7.328   4.601
  182    HG3  ARG  24           HG3      ARG  24 -11.004  -6.811   3.262
  183    HD2  ARG  24           HD2      ARG  24 -11.820  -9.333   2.802
  184    HD3  ARG  24           HD3      ARG  24 -11.358  -9.683   4.222
  185    HE   ARG  24           HE       ARG  24 -13.211  -8.641   5.153
  186   HH11  ARG  24          HH11      ARG  24 -12.796  -7.279   1.940
  187   HH12  ARG  24          HH12      ARG  24 -14.313  -6.412   2.009
  188   HH21  ARG  24          HH21      ARG  24 -15.123  -7.448   5.182
  189   HH22  ARG  24          HH22      ARG  24 -15.546  -6.488   3.786
  190    H    GLY  25           H        GLY  25  -8.644  -7.505  -0.747
  191    HA2  GLY  25           HA2      GLY  25  -9.762  -6.558  -2.551
  192    HA3  GLY  25           HA3      GLY  25 -11.299  -6.704  -1.698
  193    H    VAL  26           H        VAL  26  -8.632  -5.088  -0.113
  194    HA   VAL  26           HA       VAL  26  -8.538  -3.067   0.878
  195    HB   VAL  26           HB       VAL  26  -7.236  -2.721  -0.994
  196   HG11  VAL  26          HG11      VAL  26  -9.622  -1.655  -2.538
  197   HG12  VAL  26          HG12      VAL  26  -7.920  -1.539  -3.028
  198   HG13  VAL  26          HG13      VAL  26  -8.683  -3.122  -2.891
  199   HG21  VAL  26          HG21      VAL  26  -8.824  -0.180  -0.539
  200   HG22  VAL  26          HG22      VAL  26  -7.590  -0.835   0.568
  201   HG23  VAL  26          HG23      VAL  26  -7.146  -0.324  -1.066
  202    HA   PRO  27           HA       PRO  27 -13.039  -3.079   1.536
  203    HB2  PRO  27           HB2      PRO  27 -12.361  -1.846   4.155
  204    HB3  PRO  27           HB3      PRO  27 -13.393  -2.834   3.862
  205    HG2  PRO  27           HG2      PRO  27 -11.195  -4.148   4.530
  206    HG3  PRO  27           HG3      PRO  27 -11.993  -4.704   3.369
  207    HD2  PRO  27           HD2      PRO  27  -9.453  -3.251   2.839
  208    HD3  PRO  27           HD3      PRO  27 -10.023  -4.454   2.155
  209    H    LEU  28           H        LEU  28 -11.221  -0.031   2.204
  210    HA   LEU  28           HA       LEU  28 -13.499   1.660   1.985
  211    HB2  LEU  28           HB2      LEU  28 -11.945   3.438   2.083
  212    HB3  LEU  28           HB3      LEU  28 -11.648   2.391   3.232
  213    HG   LEU  28           HG       LEU  28  -9.645   3.411   2.312
  214   HD11  LEU  28          HD11      LEU  28  -8.216   1.515   2.235
  215   HD12  LEU  28          HD12      LEU  28  -9.524   0.433   1.751
  216   HD13  LEU  28          HD13      LEU  28  -9.516   1.161   3.380
  217   HD21  LEU  28          HD21      LEU  28 -10.315   3.554  -0.075
  218   HD22  LEU  28          HD22      LEU  28 -10.040   1.804  -0.227
  219   HD23  LEU  28          HD23      LEU  28  -8.696   2.879   0.178
  220    H    SER  29           H        SER  29 -11.990   0.041  -0.558
  221    HA   SER  29           HA       SER  29 -13.481   1.693  -2.544
  222    HB2  SER  29           HB2      SER  29 -10.738   0.549  -3.110
  223    HB3  SER  29           HB3      SER  29 -11.677   1.129  -4.196
  224    HG   SER  29           HG       SER  29 -10.239   2.705  -3.378
  225    H    GLU  30           H        GLU  30 -13.515  -1.216  -1.061
  226    HA   GLU  30           HA       GLU  30 -13.775  -3.130  -3.163
  227    HB2  GLU  30           HB2      GLU  30 -13.704  -3.310  -0.457
  228    HB3  GLU  30           HB3      GLU  30 -15.236  -3.190  -0.534
  229    HG2  GLU  30           HG2      GLU  30 -14.993  -5.256  -2.278
  230    HG3  GLU  30           HG3      GLU  30 -13.570  -5.407  -1.756
  231    HA   PRO  31           HA       PRO  31 -17.682  -1.919  -4.981
  232    HB2  PRO  31           HB2      PRO  31 -18.441  -4.741  -5.437
  233    HB3  PRO  31           HB3      PRO  31 -18.510  -3.614  -6.369
  234    HG2  PRO  31           HG2      PRO  31 -16.206  -4.870  -6.748
  235    HG3  PRO  31           HG3      PRO  31 -16.184  -3.359  -6.819
  236    HD2  PRO  31           HD2      PRO  31 -15.103  -4.728  -4.406
  237    HD3  PRO  31           HD3      PRO  31 -14.596  -3.513  -5.128
  238    HA   PRO  32           HA       PRO  32 -20.894  -3.845  -1.877
  239    HB2  PRO  32           HB2      PRO  32 -19.421  -4.766   0.488
  240    HB3  PRO  32           HB3      PRO  32 -20.601  -5.363  -0.131
  241    HG2  PRO  32           HG2      PRO  32 -18.466  -6.698  -0.963
  242    HG3  PRO  32           HG3      PRO  32 -19.522  -6.425  -1.993
  243    HD2  PRO  32           HD2      PRO  32 -17.076  -4.667  -1.921
  244    HD3  PRO  32           HD3      PRO  32 -17.670  -5.372  -3.073
  245    H    GLN  33           H        GLN  33 -18.071  -1.926  -1.029
  246    HA   GLN  33           HA       GLN  33 -19.696  -0.134   0.732
  247    HB2  GLN  33           HB2      GLN  33 -16.723  -0.210   0.344
  248    HB3  GLN  33           HB3      GLN  33 -17.430   0.963   1.106
  249    HG2  GLN  33           HG2      GLN  33 -17.034  -0.384   2.956
  250    HG3  GLN  33           HG3      GLN  33 -18.515  -0.637   2.746
  251   HE21  GLN  33          HE21      GLN  33 -15.422  -2.061   1.582
  252   HE22  GLN  33          HE22      GLN  33 -15.960  -3.740   1.646
  253    H    ALA  34           H        ALA  34 -19.065  -0.461  -2.513
  254    HA   ALA  34           HA       ALA  34 -18.912   0.877  -4.322
  255    HB1  ALA  34           HB1      ALA  34 -21.278   0.857  -3.656
  256    HB2  ALA  34           HB2      ALA  34 -21.041   2.368  -2.747
  257    HB3  ALA  34           HB3      ALA  34 -20.850   2.347  -4.514
  258    H    LEU  35           H        LEU  35 -16.772   1.543  -2.702
  259    HA   LEU  35           HA       LEU  35 -15.136   3.034  -2.309
  260    HB2  LEU  35           HB2      LEU  35 -16.122   4.614  -4.641
  261    HB3  LEU  35           HB3      LEU  35 -14.707   4.798  -3.946
  262    HG   LEU  35           HG       LEU  35 -14.108   2.386  -4.540
  263   HD11  LEU  35          HD11      LEU  35 -15.234   1.537  -6.622
  264   HD12  LEU  35          HD12      LEU  35 -16.524   2.733  -6.371
  265   HD13  LEU  35          HD13      LEU  35 -16.250   1.420  -5.198
  266   HD21  LEU  35          HD21      LEU  35 -13.458   3.055  -6.816
  267   HD22  LEU  35          HD22      LEU  35 -13.196   4.367  -5.663
  268   HD23  LEU  35          HD23      LEU  35 -14.603   4.416  -6.751
  269    HN1  NH2  36           H1       NHE  36 -17.861   3.594  -0.958
  270    HN2  NH2  36           H2       NHE  36 -17.626   5.220  -0.343
  Start of MODEL   16
    1    H1   ARG   1           H1       ARG   1   8.726  12.512  -2.820
    2    H2   ARG   1           H2       ARG   1   8.316  11.010  -2.317
    3    H3   ARG   1           H3       ARG   1   9.083  11.222  -3.750
    4    HA   ARG   1           HA       ARG   1  10.249  11.822  -1.108
    5    HB2  ARG   1           HB2      ARG   1  10.777   9.461  -2.900
    6    HB3  ARG   1           HB3      ARG   1  11.895   9.900  -1.935
    7    HG2  ARG   1           HG2      ARG   1   9.254   8.932  -0.887
    8    HG3  ARG   1           HG3      ARG   1  10.570   8.127  -0.909
    9    HD2  ARG   1           HD2      ARG   1  11.601  10.133   0.562
   10    HD3  ARG   1           HD3      ARG   1  10.176  10.674   0.707
   11    HE   ARG   1           HE       ARG   1   9.885   7.953   1.416
   12   HH11  ARG   1          HH11      ARG   1  11.442  10.828   2.718
   13   HH12  ARG   1          HH12      ARG   1  11.580  10.124   4.305
   14   HH21  ARG   1          HH21      ARG   1  10.313   7.073   3.345
   15   HH22  ARG   1          HH22      ARG   1  10.891   8.058   4.682
   16    H    ASP   2           H        ASP   2  12.592  12.177  -1.181
   17    HA   ASP   2           HA       ASP   2  13.544  13.494  -3.688
   18    HB2  ASP   2           HB2      ASP   2  12.782  15.145  -1.886
   19    HB3  ASP   2           HB3      ASP   2  13.728  14.578  -0.862
   20    HA   PRO   3           HA       PRO   3  17.487  11.760  -1.694
   21    HB2  PRO   3           HB2      PRO   3  17.610  10.384   0.590
   22    HB3  PRO   3           HB3      PRO   3  17.570  11.903   0.594
   23    HG2  PRO   3           HG2      PRO   3  15.120  10.354   1.275
   24    HG3  PRO   3           HG3      PRO   3  15.642  11.544   1.939
   25    HD2  PRO   3           HD2      PRO   3  13.837  12.213   0.043
   26    HD3  PRO   3           HD3      PRO   3  15.001  13.160   0.360
   27    H    LEU   4           H        LEU   4  14.675   9.628  -1.273
   28    HA   LEU   4           HA       LEU   4  14.194   7.503  -1.860
   29    HB2  LEU   4           HB2      LEU   4  14.478   9.129  -4.121
   30    HB3  LEU   4           HB3      LEU   4  15.296   7.967  -4.606
   31    HG   LEU   4           HG       LEU   4  12.464   7.577  -3.516
   32   HD11  LEU   4          HD11      LEU   4  13.461   7.683  -6.390
   33   HD12  LEU   4          HD12      LEU   4  12.512   8.940  -5.566
   34   HD13  LEU   4          HD13      LEU   4  11.793   7.351  -5.871
   35   HD21  LEU   4          HD21      LEU   4  14.196   5.638  -5.103
   36   HD22  LEU   4          HD22      LEU   4  12.492   5.389  -4.657
   37   HD23  LEU   4          HD23      LEU   4  13.731   5.466  -3.399
   38    H    LEU   5           H        LEU   5  16.695   7.462  -0.524
   39    HA   LEU   5           HA       LEU   5  18.573   5.754  -1.926
   40    HB2  LEU   5           HB2      LEU   5  18.499   6.319   1.022
   41    HB3  LEU   5           HB3      LEU   5  19.682   5.617   0.309
   42    HG   LEU   5           HG       LEU   5  18.851   8.468  -0.371
   43   HD11  LEU   5          HD11      LEU   5  19.804   8.222   1.888
   44   HD12  LEU   5          HD12      LEU   5  20.899   9.104   0.811
   45   HD13  LEU   5          HD13      LEU   5  21.224   7.400   1.204
   46   HD21  LEU   5          HD21      LEU   5  19.938   7.454  -2.316
   47   HD22  LEU   5          HD22      LEU   5  21.254   6.831  -1.291
   48   HD23  LEU   5          HD23      LEU   5  21.048   8.581  -1.538
   49    H    ASP   6           H        ASP   6  15.846   5.047   0.170
   50    HA   ASP   6           HA       ASP   6  16.214   2.139  -0.356
   51    HB2  ASP   6           HB2      ASP   6  17.149   3.021   1.999
   52    HB3  ASP   6           HB3      ASP   6  15.713   3.232   2.438
   53    H    ALA   7           H        ALA   7  14.081   4.685  -0.469
   54    HA   ALA   7           HA       ALA   7  11.698   3.762   0.688
   55    HB1  ALA   7           HB1      ALA   7  12.083   6.058  -0.083
   56    HB2  ALA   7           HB2      ALA   7  12.058   5.505  -1.777
   57    HB3  ALA   7           HB3      ALA   7  10.600   5.381  -0.778
   58    H    NLE   8           H        NLE   8  13.062   2.937  -2.486
   59    HA   NLE   8           HA       NLE   8  10.822   1.759  -3.663
   60    HB2  NLE   8           HB2      NLE   8  12.221   0.844  -5.273
   61    HB3  NLE   8           HB3      NLE   8  12.973   2.351  -4.804
   62    HG2  NLE   8           HG2      NLE   8  13.832  -0.465  -3.972
   63    HG3  NLE   8           HG3      NLE   8  14.587   0.522  -5.204
   64    HD2  NLE   8           HD2      NLE   8  14.581   1.130  -2.219
   65    HD3  NLE   8           HD3      NLE   8  15.910   0.457  -3.154
   66    HE1  NLE   8           HE1      NLE   8  16.318   2.822  -2.829
   67    HE2  NLE   8           HE2      NLE   8  15.979   2.539  -4.545
   68    HE3  NLE   8           HE3      NLE   8  14.733   3.247  -3.492
   69    H    ARG   9           H        ARG   9  12.680   0.426  -1.050
   70    HA   ARG   9           HA       ARG   9  11.422  -2.280  -1.360
   71    HB2  ARG   9           HB2      ARG   9  13.237  -1.457   0.880
   72    HB3  ARG   9           HB3      ARG   9  12.711  -2.892   0.621
   73    HG2  ARG   9           HG2      ARG   9  13.988  -2.688  -1.734
   74    HG3  ARG   9           HG3      ARG   9  14.637  -1.418  -1.220
   75    HD2  ARG   9           HD2      ARG   9  15.131  -4.083   0.111
   76    HD3  ARG   9           HD3      ARG   9  16.152  -3.247  -0.686
   77    HE   ARG   9           HE       ARG   9  15.949  -1.402   1.077
   78   HH11  ARG   9          HH11      ARG   9  15.416  -4.752   2.000
   79   HH12  ARG   9          HH12      ARG   9  15.598  -4.382   3.693
   80   HH21  ARG   9          HH21      ARG   9  15.995  -0.989   3.179
   81   HH22  ARG   9          HH22      ARG   9  15.982  -2.297   4.347
   82    H    ARG  10           H        ARG  10  11.770   0.099   1.261
   83    HA   ARG  10           HA       ARG  10   9.737  -1.102   2.862
   84    HB2  ARG  10           HB2      ARG  10  10.432   0.568   4.453
   85    HB3  ARG  10           HB3      ARG  10  11.693   0.018   3.751
   86    HG2  ARG  10           HG2      ARG  10  11.158   2.270   2.154
   87    HG3  ARG  10           HG3      ARG  10  10.490   2.761   3.410
   88    HD2  ARG  10           HD2      ARG  10  13.411   1.952   3.405
   89    HD3  ARG  10           HD3      ARG  10  12.895   3.407   3.352
   90    HE   ARG  10           HE       ARG  10  11.704   2.886   5.618
   91   HH11  ARG  10          HH11      ARG  10  14.830   1.448   4.723
   92   HH12  ARG  10          HH12      ARG  10  15.340   1.433   6.389
   93   HH21  ARG  10          HH21      ARG  10  12.456   2.751   7.684
   94   HH22  ARG  10          HH22      ARG  10  14.041   2.113   8.001
   95    H    GLU  11           H        GLU  11   9.528   1.796   0.821
   96    HA   GLU  11           HA       GLU  11   6.654   2.164   1.558
   97    HB2  GLU  11           HB2      GLU  11   8.421   3.951  -0.102
   98    HB3  GLU  11           HB3      GLU  11   6.926   4.211   0.059
   99    HG2  GLU  11           HG2      GLU  11   7.071   4.618   2.457
  100    HG3  GLU  11           HG3      GLU  11   8.310   3.769   2.695
  101    H    GLY  12           H        GLY  12   8.735   1.158  -1.145
  102    HA2  GLY  12           HA2      GLY  12   6.807   0.775  -3.178
  103    HA3  GLY  12           HA3      GLY  12   8.235  -0.234  -2.913
  104    H    ALA  13           H        ALA  13   7.636  -1.439  -0.434
  105    HA   ALA  13           HA       ALA  13   5.738  -3.469  -1.040
  106    HB1  ALA  13           HB1      ALA  13   7.603  -3.774   0.516
  107    HB2  ALA  13           HB2      ALA  13   6.901  -2.581   1.634
  108    HB3  ALA  13           HB3      ALA  13   6.062  -4.116   1.321
  109    H    NLE  14           H        NLE  14   5.378  -0.605   1.129
  110    HA   NLE  14           HA       NLE  14   2.704  -1.121   1.927
  111    HB2  NLE  14           HB2      NLE  14   4.235   1.487   1.703
  112    HB3  NLE  14           HB3      NLE  14   2.614   1.352   2.398
  113    HG2  NLE  14           HG2      NLE  14   3.460  -0.333   4.033
  114    HG3  NLE  14           HG3      NLE  14   5.098  -0.083   3.435
  115    HD2  NLE  14           HD2      NLE  14   3.322   2.050   4.707
  116    HD3  NLE  14           HD3      NLE  14   4.604   1.160   5.528
  117    HE1  NLE  14           HE1      NLE  14   4.997   3.102   3.209
  118    HE2  NLE  14           HE2      NLE  14   5.403   3.377   4.910
  119    HE3  NLE  14           HE3      NLE  14   6.289   2.151   3.988
  120    H    ASP  15           H        ASP  15   3.933   0.561  -0.955
  121    HA   ASP  15           HA       ASP  15   1.476   1.574  -1.927
  122    HB2  ASP  15           HB2      ASP  15   3.945   2.013  -2.728
  123    HB3  ASP  15           HB3      ASP  15   3.915   0.726  -3.525
  124    H    PHE  16           H        PHE  16   2.446  -1.760  -1.857
  125    HA   PHE  16           HA       PHE  16   0.047  -2.378  -3.534
  126    HB2  PHE  16           HB2      PHE  16   1.108  -4.213  -4.523
  127    HB3  PHE  16           HB3      PHE  16   2.030  -2.993  -4.774
  128    HD1  PHE  16           HD1      PHE  16   1.677  -5.903  -2.404
  129    HD2  PHE  16           HD2      PHE  16   4.352  -3.120  -4.329
  130    HE1  PHE  16           HE1      PHE  16   3.623  -7.201  -1.581
  131    HE2  PHE  16           HE2      PHE  16   6.295  -4.442  -3.535
  132    HZ   PHE  16           HZ       PHE  16   5.936  -6.480  -2.150
  133    H    TRP  17           H        TRP  17   1.619  -2.967  -0.442
  134    HA   TRP  17           HA       TRP  17  -0.228  -4.981   0.484
  135    HB2  TRP  17           HB2      TRP  17   1.781  -4.190   1.789
  136    HB3  TRP  17           HB3      TRP  17   1.253  -2.736   1.883
  137    HD1  TRP  17           HD1      TRP  17   0.020  -2.043   3.973
  138    HE1  TRP  17           HE1      TRP  17  -1.136  -3.211   5.945
  139    HE3  TRP  17           HE3      TRP  17   0.228  -6.885   2.289
  140    HZ2  TRP  17           HZ2      TRP  17  -1.834  -5.896   6.719
  141    HZ3  TRP  17           HZ3      TRP  17  -0.680  -8.732   3.682
  142    HH2  TRP  17           HH2      TRP  17  -1.680  -8.256   5.905
  143    H    SER  18           H        SER  18  -0.416  -1.376   0.537
  144    HA   SER  18           HA       SER  18  -3.025  -1.220   1.677
  145    HB2  SER  18           HB2      SER  18  -2.873   1.157   0.950
  146    HB3  SER  18           HB3      SER  18  -1.564   0.705   1.633
  147    HG   SER  18           HG       SER  18  -0.491   0.619  -0.255
  148    H    ALA  19           H        ALA  19  -2.097  -1.924  -1.637
  149    HA   ALA  19           HA       ALA  19  -4.689  -1.450  -2.823
  150    HB1  ALA  19           HB1      ALA  19  -2.531  -1.405  -4.067
  151    HB2  ALA  19           HB2      ALA  19  -2.368  -3.159  -3.813
  152    HB3  ALA  19           HB3      ALA  19  -3.709  -2.522  -4.779
  153    H    GLY  20           H        GLY  20  -3.739  -3.900  -0.677
  154    HA2  GLY  20           HA2      GLY  20  -6.068  -5.626  -1.493
  155    HA3  GLY  20           HA3      GLY  20  -4.520  -6.303  -0.989
  156    H    ABA  21           H        ABU  21  -4.152  -4.270   1.120
  157    HA   ABA  21           HA       ABU  21  -4.310  -4.136   3.340
  158    HB3  ABA  21           HB3      ABU  21  -7.223  -3.583   2.711
  159    HB2  ABA  21           HB2      ABU  21  -5.891  -2.471   2.379
  160    HG1  ABA  21           HG1      ABU  21  -6.958  -1.855   4.475
  161    HG3  ABA  21           HG3      ABU  21  -5.312  -2.437   4.802
  162    HG2  ABA  21           HG2      ABU  21  -6.714  -3.483   5.132
  163    H    TYR  22           H        TYR  22  -3.760  -6.129   4.145
  164    HA   TYR  22           HA       TYR  22  -3.898  -8.142   5.127
  165    HB2  TYR  22           HB2      TYR  22  -6.735  -7.767   5.920
  166    HB3  TYR  22           HB3      TYR  22  -5.705  -8.737   6.577
  167    HD1  TYR  22           HD1      TYR  22  -3.676  -7.881   7.874
  168    HD2  TYR  22           HD2      TYR  22  -6.937  -5.355   6.615
  169    HE1  TYR  22           HE1      TYR  22  -3.033  -6.189   9.594
  170    HE2  TYR  22           HE2      TYR  22  -6.295  -3.664   8.328
  171    HH   TYR  22           HH       TYR  22  -4.851  -3.128  10.026
  172    H    ALA  23           H        ALA  23  -4.523  -7.887   2.281
  173    HA   ALA  23           HA       ALA  23  -5.387  -8.960   0.484
  174    HB1  ALA  23           HB1      ALA  23  -4.953 -11.357   0.409
  175    HB2  ALA  23           HB2      ALA  23  -3.636 -10.515   1.244
  176    HB3  ALA  23           HB3      ALA  23  -4.844 -11.424   2.180
  177    H    ARG  24           H        ARG  24  -7.359  -7.870   1.956
  178    HA   ARG  24           HA       ARG  24  -9.669  -9.779   2.022
  179    HB2  ARG  24           HB2      ARG  24  -8.893  -8.839   4.157
  180    HB3  ARG  24           HB3      ARG  24  -8.913  -7.336   3.648
  181    HG2  ARG  24           HG2      ARG  24 -10.838  -7.627   5.055
  182    HG3  ARG  24           HG3      ARG  24 -11.241  -7.116   3.671
  183    HD2  ARG  24           HD2      ARG  24 -11.844  -9.677   3.122
  184    HD3  ARG  24           HD3      ARG  24 -11.515 -10.008   4.583
  185    HE   ARG  24           HE       ARG  24 -13.521  -9.097   5.305
  186   HH11  ARG  24          HH11      ARG  24 -12.841  -7.640   2.176
  187   HH12  ARG  24          HH12      ARG  24 -14.393  -6.832   2.116
  188   HH21  ARG  24          HH21      ARG  24 -15.474  -7.988   5.160
  189   HH22  ARG  24          HH22      ARG  24 -15.794  -7.014   3.747
  190    H    GLY  25           H        GLY  25  -8.502  -7.865  -0.185
  191    HA2  GLY  25           HA2      GLY  25  -9.564  -7.153  -2.132
  192    HA3  GLY  25           HA3      GLY  25 -11.137  -7.302  -1.346
  193    H    VAL  26           H        VAL  26  -8.547  -5.405   0.093
  194    HA   VAL  26           HA       VAL  26  -8.564  -3.292   0.899
  195    HB   VAL  26           HB       VAL  26  -7.325  -3.094  -1.055
  196   HG11  VAL  26          HG11      VAL  26  -9.796  -2.235  -2.597
  197   HG12  VAL  26          HG12      VAL  26  -8.118  -2.104  -3.155
  198   HG13  VAL  26          HG13      VAL  26  -8.818  -3.693  -2.862
  199   HG21  VAL  26          HG21      VAL  26  -8.967  -0.570  -0.757
  200   HG22  VAL  26          HG22      VAL  26  -7.677  -1.098   0.355
  201   HG23  VAL  26          HG23      VAL  26  -7.300  -0.718  -1.330
  202    HA   PRO  27           HA       PRO  27 -13.102  -3.456   1.526
  203    HB2  PRO  27           HB2      PRO  27 -12.470  -2.127   4.111
  204    HB3  PRO  27           HB3      PRO  27 -13.482  -3.145   3.839
  205    HG2  PRO  27           HG2      PRO  27 -11.274  -4.395   4.571
  206    HG3  PRO  27           HG3      PRO  27 -12.035  -4.998   3.409
  207    HD2  PRO  27           HD2      PRO  27  -9.523  -3.484   2.885
  208    HD3  PRO  27           HD3      PRO  27 -10.036  -4.734   2.242
  209    H    LEU  28           H        LEU  28 -11.321  -0.368   2.073
  210    HA   LEU  28           HA       LEU  28 -13.617   1.292   1.786
  211    HB2  LEU  28           HB2      LEU  28 -12.075   3.087   1.804
  212    HB3  LEU  28           HB3      LEU  28 -11.779   2.097   3.003
  213    HG   LEU  28           HG       LEU  28  -9.774   3.080   2.057
  214   HD11  LEU  28          HD11      LEU  28  -8.336   1.197   2.069
  215   HD12  LEU  28          HD12      LEU  28  -9.623   0.086   1.598
  216   HD13  LEU  28          HD13      LEU  28  -9.648   0.864   3.205
  217   HD21  LEU  28          HD21      LEU  28 -10.423   3.139  -0.335
  218   HD22  LEU  28          HD22      LEU  28 -10.162   1.385  -0.424
  219   HD23  LEU  28          HD23      LEU  28  -8.809   2.461  -0.052
  220    H    SER  29           H        SER  29 -12.084  -0.424  -0.682
  221    HA   SER  29           HA       SER  29 -13.598   1.116  -2.737
  222    HB2  SER  29           HB2      SER  29 -10.820   0.030  -3.260
  223    HB3  SER  29           HB3      SER  29 -11.769   0.570  -4.360
  224    HG   SER  29           HG       SER  29 -10.344   2.175  -3.549
  225    H    GLU  30           H        GLU  30 -13.535  -1.751  -1.161
  226    HA   GLU  30           HA       GLU  30 -13.718  -3.756  -3.162
  227    HB2  GLU  30           HB2      GLU  30 -13.748  -3.811  -0.464
  228    HB3  GLU  30           HB3      GLU  30 -15.279  -3.682  -0.590
  229    HG2  GLU  30           HG2      GLU  30 -15.023  -5.834  -2.211
  230    HG3  GLU  30           HG3      GLU  30 -13.609  -5.975  -1.657
  231    HA   PRO  31           HA       PRO  31 -17.517  -2.696  -5.250
  232    HB2  PRO  31           HB2      PRO  31 -18.260  -5.544  -5.559
  233    HB3  PRO  31           HB3      PRO  31 -18.284  -4.480  -6.562
  234    HG2  PRO  31           HG2      PRO  31 -15.964  -5.744  -6.743
  235    HG3  PRO  31           HG3      PRO  31 -15.939  -4.241  -6.909
  236    HD2  PRO  31           HD2      PRO  31 -14.970  -5.446  -4.365
  237    HD3  PRO  31           HD3      PRO  31 -14.440  -4.272  -5.135
  238    HA   PRO  32           HA       PRO  32 -20.923  -4.377  -2.229
  239    HB2  PRO  32           HB2      PRO  32 -19.635  -5.196   0.273
  240    HB3  PRO  32           HB3      PRO  32 -20.773  -5.815  -0.406
  241    HG2  PRO  32           HG2      PRO  32 -18.586  -7.200  -0.990
  242    HG3  PRO  32           HG3      PRO  32 -19.566  -6.990  -2.111
  243    HD2  PRO  32           HD2      PRO  32 -17.118  -5.239  -1.971
  244    HD3  PRO  32           HD3      PRO  32 -17.635  -6.010  -3.118
  245    H    GLN  33           H        GLN  33 -18.109  -2.478  -1.303
  246    HA   GLN  33           HA       GLN  33 -19.778  -0.565   0.274
  247    HB2  GLN  33           HB2      GLN  33 -16.792  -0.696  -0.006
  248    HB3  GLN  33           HB3      GLN  33 -17.509   0.531   0.655
  249    HG2  GLN  33           HG2      GLN  33 -17.205  -0.700   2.599
  250    HG3  GLN  33           HG3      GLN  33 -18.675  -0.963   2.348
  251   HE21  GLN  33          HE21      GLN  33 -15.525  -2.459   1.500
  252   HE22  GLN  33          HE22      GLN  33 -16.077  -4.130   1.598
  253    H    ALA  34           H        ALA  34 -18.888  -1.068  -2.928
  254    HA   ALA  34           HA       ALA  34 -18.642   0.193  -4.786
  255    HB1  ALA  34           HB1      ALA  34 -21.050   0.064  -4.323
  256    HB2  ALA  34           HB2      ALA  34 -20.978   1.624  -3.473
  257    HB3  ALA  34           HB3      ALA  34 -20.633   1.536  -5.215
  258    H    LEU  35           H        LEU  35 -16.672   1.044  -3.076
  259    HA   LEU  35           HA       LEU  35 -15.178   2.643  -2.575
  260    HB2  LEU  35           HB2      LEU  35 -15.953   4.152  -5.029
  261    HB3  LEU  35           HB3      LEU  35 -14.606   4.294  -4.227
  262    HG   LEU  35           HG       LEU  35 -14.318   1.663  -4.723
  263   HD11  LEU  35          HD11      LEU  35 -15.043   1.157  -7.028
  264   HD12  LEU  35          HD12      LEU  35 -15.952   2.683  -7.089
  265   HD13  LEU  35          HD13      LEU  35 -16.437   1.387  -5.976
  266   HD21  LEU  35          HD21      LEU  35 -12.970   2.298  -6.683
  267   HD22  LEU  35          HD22      LEU  35 -12.734   3.426  -5.343
  268   HD23  LEU  35          HD23      LEU  35 -13.762   3.892  -6.718
  269    HN1  NH2  36           H1       NHE  36 -18.032   3.119  -1.500
  270    HN2  NH2  36           H2       NHE  36 -17.939   4.783  -0.954
  Start of MODEL   17
    1    H1   ARG   1           H1       ARG   1   7.996  12.454  -3.186
    2    H2   ARG   1           H2       ARG   1   7.629  10.925  -2.736
    3    H3   ARG   1           H3       ARG   1   8.386  11.207  -4.161
    4    HA   ARG   1           HA       ARG   1   9.541  11.747  -1.503
    5    HB2  ARG   1           HB2      ARG   1  10.072   9.443  -3.362
    6    HB3  ARG   1           HB3      ARG   1  11.237   9.891  -2.462
    7    HG2  ARG   1           HG2      ARG   1   8.678   8.874  -1.263
    8    HG3  ARG   1           HG3      ARG   1   9.993   8.080  -1.385
    9    HD2  ARG   1           HD2      ARG   1  11.116  10.061   0.044
   10    HD3  ARG   1           HD3      ARG   1   9.705  10.605   0.287
   11    HE   ARG   1           HE       ARG   1   9.458   7.875   0.983
   12   HH11  ARG   1          HH11      ARG   1  11.095  10.739   2.211
   13   HH12  ARG   1          HH12      ARG   1  11.325  10.025   3.781
   14   HH21  ARG   1          HH21      ARG   1   9.986   6.987   2.882
   15   HH22  ARG   1          HH22      ARG   1  10.640   7.963   4.190
   16    H    ASP   2           H        ASP   2  11.883  12.150  -1.573
   17    HA   ASP   2           HA       ASP   2  12.813  13.546  -4.040
   18    HB2  ASP   2           HB2      ASP   2  11.917  15.165  -2.271
   19    HB3  ASP   2           HB3      ASP   2  12.862  14.655  -1.217
   20    HA   PRO   3           HA       PRO   3  16.788  12.054  -1.923
   21    HB2  PRO   3           HB2      PRO   3  16.927  10.697   0.370
   22    HB3  PRO   3           HB3      PRO   3  16.802  12.211   0.363
   23    HG2  PRO   3           HG2      PRO   3  14.425  10.528   0.988
   24    HG3  PRO   3           HG3      PRO   3  14.861  11.751   1.659
   25    HD2  PRO   3           HD2      PRO   3  13.073  12.300  -0.291
   26    HD3  PRO   3           HD3      PRO   3  14.170  13.317   0.051
   27    H    LEU   4           H        LEU   4  14.095   9.766  -1.574
   28    HA   LEU   4           HA       LEU   4  13.731   7.632  -2.208
   29    HB2  LEU   4           HB2      LEU   4  14.040   9.303  -4.436
   30    HB3  LEU   4           HB3      LEU   4  14.918   8.177  -4.900
   31    HG   LEU   4           HG       LEU   4  12.058   7.682  -3.935
   32   HD11  LEU   4          HD11      LEU   4  13.182   7.845  -6.760
   33   HD12  LEU   4          HD12      LEU   4  12.152   9.062  -5.972
   34   HD13  LEU   4          HD13      LEU   4  11.504   7.452  -6.321
   35   HD21  LEU   4          HD21      LEU   4  13.917   5.813  -5.461
   36   HD22  LEU   4          HD22      LEU   4  12.206   5.505  -5.081
   37   HD23  LEU   4          HD23      LEU   4  13.395   5.612  -3.778
   38    H    LEU   5           H        LEU   5  16.220   7.718  -0.799
   39    HA   LEU   5           HA       LEU   5  18.204   6.103  -2.149
   40    HB2  LEU   5           HB2      LEU   5  18.002   6.599   0.807
   41    HB3  LEU   5           HB3      LEU   5  19.237   5.968   0.120
   42    HG   LEU   5           HG       LEU   5  18.305   8.797  -0.514
   43   HD11  LEU   5          HD11      LEU   5  19.216   8.518   1.761
   44   HD12  LEU   5          HD12      LEU   5  20.293   9.484   0.739
   45   HD13  LEU   5          HD13      LEU   5  20.688   7.784   1.084
   46   HD21  LEU   5          HD21      LEU   5  19.476   7.896  -2.460
   47   HD22  LEU   5          HD22      LEU   5  20.788   7.278  -1.425
   48   HD23  LEU   5          HD23      LEU   5  20.532   9.028  -1.617
   49    H    ASP   6           H        ASP   6  15.466   5.250  -0.107
   50    HA   ASP   6           HA       ASP   6  15.926   2.378  -0.729
   51    HB2  ASP   6           HB2      ASP   6  16.832   3.210   1.664
   52    HB3  ASP   6           HB3      ASP   6  15.393   3.340   2.107
   53    H    ALA   7           H        ALA   7  13.731   4.825  -0.858
   54    HA   ALA   7           HA       ALA   7  11.362   3.877   0.304
   55    HB1  ALA   7           HB1      ALA   7  11.708   6.155  -0.566
   56    HB2  ALA   7           HB2      ALA   7  11.672   5.524  -2.231
   57    HB3  ALA   7           HB3      ALA   7  10.232   5.414  -1.208
   58    H    NLE   8           H        NLE   8  12.763   3.020  -2.846
   59    HA   NLE   8           HA       NLE   8  10.586   1.687  -3.978
   60    HB2  NLE   8           HB2      NLE   8  12.029   0.823  -5.575
   61    HB3  NLE   8           HB3      NLE   8  12.697   2.378  -5.142
   62    HG2  NLE   8           HG2      NLE   8  13.714  -0.369  -4.262
   63    HG3  NLE   8           HG3      NLE   8  14.415   0.644  -5.506
   64    HD2  NLE   8           HD2      NLE   8  14.364   1.295  -2.530
   65    HD3  NLE   8           HD3      NLE   8  15.731   0.676  -3.447
   66    HE1  NLE   8           HE1      NLE   8  16.004   3.070  -3.152
   67    HE2  NLE   8           HE2      NLE   8  15.715   2.731  -4.867
   68    HE3  NLE   8           HE3      NLE   8  14.412   3.394  -3.853
   69    H    ARG   9           H        ARG   9  12.527   0.532  -1.337
   70    HA   ARG   9           HA       ARG   9  11.413  -2.247  -1.586
   71    HB2  ARG   9           HB2      ARG   9  13.263  -1.272   0.572
   72    HB3  ARG   9           HB3      ARG   9  12.743  -2.726   0.430
   73    HG2  ARG   9           HG2      ARG   9  13.912  -2.641  -2.002
   74    HG3  ARG   9           HG3      ARG   9  14.593  -1.361  -1.561
   75    HD2  ARG   9           HD2      ARG   9  15.102  -3.985  -0.151
   76    HD3  ARG   9           HD3      ARG   9  16.102  -3.197  -1.010
   77    HE   ARG   9           HE       ARG   9  15.860  -1.255   0.719
   78   HH11  ARG   9          HH11      ARG   9  15.805  -4.643   1.642
   79   HH12  ARG   9          HH12      ARG   9  16.107  -4.262   3.315
   80   HH21  ARG   9          HH21      ARG   9  16.037  -0.842   2.812
   81   HH22  ARG   9          HH22      ARG   9  16.311  -2.142   3.959
   82    H    ARG  10           H        ARG  10  11.674   0.199   0.994
   83    HA   ARG  10           HA       ARG  10   9.710  -1.050   2.634
   84    HB2  ARG  10           HB2      ARG  10  10.227   0.770   4.142
   85    HB3  ARG  10           HB3      ARG  10  11.538   0.229   3.520
   86    HG2  ARG  10           HG2      ARG  10  10.891   2.379   1.784
   87    HG3  ARG  10           HG3      ARG  10  10.273   2.906   3.054
   88    HD2  ARG  10           HD2      ARG  10  13.206   2.134   2.953
   89    HD3  ARG  10           HD3      ARG  10  12.672   3.581   2.838
   90    HE   ARG  10           HE       ARG  10  11.587   3.202   5.170
   91   HH11  ARG  10          HH11      ARG  10  14.659   1.656   4.258
   92   HH12  ARG  10          HH12      ARG  10  15.236   1.762   5.896
   93   HH21  ARG  10          HH21      ARG  10  12.423   3.209   7.205
   94   HH22  ARG  10          HH22      ARG  10  14.012   2.572   7.504
   95    H    GLU  11           H        GLU  11   9.318   1.842   0.576
   96    HA   GLU  11           HA       GLU  11   6.420   1.986   1.255
   97    HB2  GLU  11           HB2      GLU  11   8.048   3.830  -0.481
   98    HB3  GLU  11           HB3      GLU  11   6.542   3.997  -0.304
   99    HG2  GLU  11           HG2      GLU  11   6.685   4.540   2.054
  100    HG3  GLU  11           HG3      GLU  11   7.931   3.722   2.341
  101    H    GLY  12           H        GLY  12   8.560   1.045  -1.427
  102    HA2  GLY  12           HA2      GLY  12   6.659   0.527  -3.451
  103    HA3  GLY  12           HA3      GLY  12   8.151  -0.385  -3.189
  104    H    ALA  13           H        ALA  13   7.656  -1.642  -0.723
  105    HA   ALA  13           HA       ALA  13   5.867  -3.772  -1.354
  106    HB1  ALA  13           HB1      ALA  13   7.797  -4.022   0.133
  107    HB2  ALA  13           HB2      ALA  13   7.061  -2.912   1.315
  108    HB3  ALA  13           HB3      ALA  13   6.303  -4.483   0.969
  109    H    NLE  14           H        NLE  14   5.408  -0.969   0.873
  110    HA   NLE  14           HA       NLE  14   2.783  -1.666   1.718
  111    HB2  NLE  14           HB2      NLE  14   4.166   1.027   1.526
  112    HB3  NLE  14           HB3      NLE  14   2.556   0.799   2.223
  113    HG2  NLE  14           HG2      NLE  14   3.486  -0.864   3.830
  114    HG3  NLE  14           HG3      NLE  14   5.108  -0.532   3.232
  115    HD2  NLE  14           HD2      NLE  14   3.243   1.503   4.538
  116    HD3  NLE  14           HD3      NLE  14   4.561   0.654   5.347
  117    HE1  NLE  14           HE1      NLE  14   4.877   2.647   3.058
  118    HE2  NLE  14           HE2      NLE  14   5.263   2.914   4.766
  119    HE3  NLE  14           HE3      NLE  14   6.205   1.741   3.829
  120    H    ASP  15           H        ASP  15   3.850   0.117  -1.178
  121    HA   ASP  15           HA       ASP  15   1.289   0.936  -2.095
  122    HB2  ASP  15           HB2      ASP  15   3.680   1.595  -2.952
  123    HB3  ASP  15           HB3      ASP  15   3.769   0.300  -3.727
  124    H    PHE  16           H        PHE  16   2.613  -2.299  -2.103
  125    HA   PHE  16           HA       PHE  16   0.270  -3.147  -3.758
  126    HB2  PHE  16           HB2      PHE  16   1.495  -4.939  -4.645
  127    HB3  PHE  16           HB3      PHE  16   2.239  -3.611  -4.991
  128    HD1  PHE  16           HD1      PHE  16   2.373  -6.305  -2.328
  129    HD2  PHE  16           HD2      PHE  16   4.566  -3.556  -4.828
  130    HE1  PHE  16           HE1      PHE  16   4.506  -7.335  -1.596
  131    HE2  PHE  16           HE2      PHE  16   6.693  -4.614  -4.122
  132    HZ   PHE  16           HZ       PHE  16   6.670  -6.504  -2.501
  133    H    TRP  17           H        TRP  17   1.658  -3.410  -0.587
  134    HA   TRP  17           HA       TRP  17  -0.151  -5.531   0.291
  135    HB2  TRP  17           HB2      TRP  17   1.741  -4.644   1.716
  136    HB3  TRP  17           HB3      TRP  17   1.176  -3.207   1.723
  137    HD1  TRP  17           HD1      TRP  17  -0.305  -2.485   3.652
  138    HE1  TRP  17           HE1      TRP  17  -1.578  -3.630   5.564
  139    HE3  TRP  17           HE3      TRP  17   0.280  -7.371   2.206
  140    HZ2  TRP  17           HZ2      TRP  17  -2.230  -6.317   6.384
  141    HZ3  TRP  17           HZ3      TRP  17  -0.667  -9.206   3.592
  142    HH2  TRP  17           HH2      TRP  17  -1.887  -8.693   5.693
  143    H    SER  18           H        SER  18  -0.383  -1.925   0.331
  144    HA   SER  18           HA       SER  18  -3.065  -1.820   1.278
  145    HB2  SER  18           HB2      SER  18  -2.872   0.584   0.689
  146    HB3  SER  18           HB3      SER  18  -1.599   0.103   1.418
  147    HG   SER  18           HG       SER  18  -0.433   0.070  -0.430
  148    H    ALA  19           H        ALA  19  -1.954  -2.551  -1.940
  149    HA   ALA  19           HA       ALA  19  -4.345  -1.961  -3.396
  150    HB1  ALA  19           HB1      ALA  19  -2.122  -2.397  -4.412
  151    HB2  ALA  19           HB2      ALA  19  -2.228  -4.098  -3.891
  152    HB3  ALA  19           HB3      ALA  19  -3.378  -3.457  -5.079
  153    H    GLY  20           H        GLY  20  -3.816  -4.391  -0.995
  154    HA2  GLY  20           HA2      GLY  20  -6.462  -5.640  -1.642
  155    HA3  GLY  20           HA3      GLY  20  -5.041  -6.657  -1.410
  156    H    ABA  21           H        ABU  21  -4.110  -4.758   0.781
  157    HA   ABA  21           HA       ABU  21  -3.949  -4.893   3.009
  158    HB3  ABA  21           HB3      ABU  21  -6.769  -3.799   2.848
  159    HB2  ABA  21           HB2      ABU  21  -5.318  -2.896   2.398
  160    HG1  ABA  21           HG1      ABU  21  -5.972  -2.327   4.675
  161    HG3  ABA  21           HG3      ABU  21  -4.420  -3.185   4.701
  162    HG2  ABA  21           HG2      ABU  21  -5.917  -4.029   5.165
  163    H    TYR  22           H        TYR  22  -3.674  -6.911   3.751
  164    HA   TYR  22           HA       TYR  22  -4.009  -8.938   4.649
  165    HB2  TYR  22           HB2      TYR  22  -6.879  -8.477   5.258
  166    HB3  TYR  22           HB3      TYR  22  -5.959  -9.576   5.883
  167    HD1  TYR  22           HD1      TYR  22  -3.899  -8.922   7.315
  168    HD2  TYR  22           HD2      TYR  22  -7.127  -6.237   6.324
  169    HE1  TYR  22           HE1      TYR  22  -3.339  -7.511   9.296
  170    HE2  TYR  22           HE2      TYR  22  -6.575  -4.836   8.306
  171    HH   TYR  22           HH       TYR  22  -5.213  -4.571  10.133
  172    H    ALA  23           H        ALA  23  -4.516  -8.305   1.775
  173    HA   ALA  23           HA       ALA  23  -5.401  -9.109  -0.150
  174    HB1  ALA  23           HB1      ALA  23  -5.045 -11.487  -0.541
  175    HB2  ALA  23           HB2      ALA  23  -3.705 -10.808   0.400
  176    HB3  ALA  23           HB3      ALA  23  -4.947 -11.792   1.206
  177    H    ARG  24           H        ARG  24  -7.323  -8.196   1.547
  178    HA   ARG  24           HA       ARG  24  -9.649 -10.057   1.595
  179    HB2  ARG  24           HB2      ARG  24  -8.782  -8.944   3.653
  180    HB3  ARG  24           HB3      ARG  24  -8.871  -7.489   3.022
  181    HG2  ARG  24           HG2      ARG  24 -10.766  -7.639   4.451
  182    HG3  ARG  24           HG3      ARG  24 -11.255  -7.408   3.029
  183    HD2  ARG  24           HD2      ARG  24 -11.647 -10.075   2.931
  184    HD3  ARG  24           HD3      ARG  24 -11.239 -10.130   4.407
  185    HE   ARG  24           HE       ARG  24 -13.262  -9.195   5.091
  186   HH11  ARG  24          HH11      ARG  24 -12.900  -8.481   1.652
  187   HH12  ARG  24          HH12      ARG  24 -14.504  -7.774   1.569
  188   HH21  ARG  24          HH21      ARG  24 -15.270  -8.187   4.855
  189   HH22  ARG  24          HH22      ARG  24 -15.711  -7.546   3.290
  190    H    GLY  25           H        GLY  25  -8.519  -7.429  -0.241
  191    HA2  GLY  25           HA2      GLY  25  -9.713  -6.675  -2.210
  192    HA3  GLY  25           HA3      GLY  25 -11.248  -6.865  -1.364
  193    H    VAL  26           H        VAL  26  -8.557  -5.396   0.316
  194    HA   VAL  26           HA       VAL  26  -8.408  -3.466   1.445
  195    HB   VAL  26           HB       VAL  26  -7.124  -2.986  -0.390
  196   HG11  VAL  26          HG11      VAL  26  -9.533  -1.877  -1.858
  197   HG12  VAL  26          HG12      VAL  26  -7.837  -1.655  -2.341
  198   HG13  VAL  26          HG13      VAL  26  -8.536  -3.273  -2.311
  199   HG21  VAL  26          HG21      VAL  26  -8.718  -0.488   0.251
  200   HG22  VAL  26          HG22      VAL  26  -7.447  -1.204   1.277
  201   HG23  VAL  26          HG23      VAL  26  -7.056  -0.573  -0.328
  202    HA   PRO  27           HA       PRO  27 -12.855  -3.271   2.329
  203    HB2  PRO  27           HB2      PRO  27 -11.963  -2.245   4.970
  204    HB3  PRO  27           HB3      PRO  27 -13.064  -3.155   4.678
  205    HG2  PRO  27           HG2      PRO  27 -10.915  -4.620   5.154
  206    HG3  PRO  27           HG3      PRO  27 -11.790  -5.072   4.008
  207    HD2  PRO  27           HD2      PRO  27  -9.214  -3.701   3.425
  208    HD3  PRO  27           HD3      PRO  27  -9.869  -4.844   2.713
  209    H    LEU  28           H        LEU  28 -10.798  -0.381   3.047
  210    HA   LEU  28           HA       LEU  28 -13.010   1.439   2.988
  211    HB2  LEU  28           HB2      LEU  28 -11.384   3.133   3.210
  212    HB3  LEU  28           HB3      LEU  28 -11.133   1.997   4.283
  213    HG   LEU  28           HG       LEU  28  -9.088   2.997   3.432
  214   HD11  LEU  28          HD11      LEU  28  -7.740   1.050   3.218
  215   HD12  LEU  28          HD12      LEU  28  -9.095   0.061   2.669
  216   HD13  LEU  28          HD13      LEU  28  -9.053   0.675   4.345
  217   HD21  LEU  28          HD21      LEU  28  -9.749   3.334   1.065
  218   HD22  LEU  28          HD22      LEU  28  -9.568   1.589   0.792
  219   HD23  LEU  28          HD23      LEU  28  -8.165   2.562   1.259
  220    H    SER  29           H        SER  29 -11.713  -0.160   0.385
  221    HA   SER  29           HA       SER  29 -12.997   1.702  -1.557
  222    HB2  SER  29           HB2      SER  29 -10.367   0.312  -2.125
  223    HB3  SER  29           HB3      SER  29 -11.208   1.050  -3.191
  224    HG   SER  29           HG       SER  29  -9.608   2.393  -2.239
  225    H    GLU  30           H        GLU  30 -13.577  -1.072  -0.121
  226    HA   GLU  30           HA       GLU  30 -13.652  -3.101  -2.109
  227    HB2  GLU  30           HB2      GLU  30 -14.301  -2.907   0.611
  228    HB3  GLU  30           HB3      GLU  30 -15.716  -3.079   0.051
  229    HG2  GLU  30           HG2      GLU  30 -14.673  -5.207  -1.233
  230    HG3  GLU  30           HG3      GLU  30 -13.439  -5.047  -0.354
  231    HA   PRO  31           HA       PRO  31 -17.281  -1.930  -4.529
  232    HB2  PRO  31           HB2      PRO  31 -18.000  -4.745  -4.998
  233    HB3  PRO  31           HB3      PRO  31 -17.861  -3.655  -5.971
  234    HG2  PRO  31           HG2      PRO  31 -15.601  -5.046  -5.903
  235    HG3  PRO  31           HG3      PRO  31 -15.490  -3.543  -6.058
  236    HD2  PRO  31           HD2      PRO  31 -14.893  -4.788  -3.413
  237    HD3  PRO  31           HD3      PRO  31 -14.181  -3.683  -4.132
  238    HA   PRO  32           HA       PRO  32 -20.716  -3.713  -1.537
  239    HB2  PRO  32           HB2      PRO  32 -19.286  -4.533   0.908
  240    HB3  PRO  32           HB3      PRO  32 -20.502  -5.100   0.341
  241    HG2  PRO  32           HG2      PRO  32 -18.472  -6.599  -0.451
  242    HG3  PRO  32           HG3      PRO  32 -19.512  -6.299  -1.496
  243    HD2  PRO  32           HD2      PRO  32 -16.949  -4.718  -1.499
  244    HD3  PRO  32           HD3      PRO  32 -17.610  -5.420  -2.621
  245    H    GLN  33           H        GLN  33 -17.902  -1.783  -0.704
  246    HA   GLN  33           HA       GLN  33 -19.553   0.136   0.886
  247    HB2  GLN  33           HB2      GLN  33 -16.568  -0.078   0.644
  248    HB3  GLN  33           HB3      GLN  33 -17.238   1.207   1.245
  249    HG2  GLN  33           HG2      GLN  33 -17.022   0.064   3.245
  250    HG3  GLN  33           HG3      GLN  33 -18.497  -0.157   2.979
  251   HE21  GLN  33          HE21      GLN  33 -15.352  -1.809   2.510
  252   HE22  GLN  33          HE22      GLN  33 -15.999  -3.445   2.552
  253    H    ALA  34           H        ALA  34 -19.125  -0.428  -2.258
  254    HA   ALA  34           HA       ALA  34 -19.015   0.695  -4.188
  255    HB1  ALA  34           HB1      ALA  34 -21.257   1.194  -3.297
  256    HB2  ALA  34           HB2      ALA  34 -20.645   2.716  -2.606
  257    HB3  ALA  34           HB3      ALA  34 -20.667   2.477  -4.366
  258    H    LEU  35           H        LEU  35 -16.637   1.162  -2.690
  259    HA   LEU  35           HA       LEU  35 -14.810   2.448  -2.493
  260    HB2  LEU  35           HB2      LEU  35 -15.499   2.526  -5.210
  261    HB3  LEU  35           HB3      LEU  35 -15.327   4.010  -4.987
  262    HG   LEU  35           HG       LEU  35 -13.164   1.981  -4.264
  263   HD11  LEU  35          HD11      LEU  35 -11.994   2.855  -6.243
  264   HD12  LEU  35          HD12      LEU  35 -13.357   3.948  -6.579
  265   HD13  LEU  35          HD13      LEU  35 -13.573   2.186  -6.682
  266   HD21  LEU  35          HD21      LEU  35 -11.610   3.896  -4.112
  267   HD22  LEU  35          HD22      LEU  35 -12.856   3.975  -2.867
  268   HD23  LEU  35          HD23      LEU  35 -12.975   5.018  -4.304
  269    HN1  NH2  36           H1       NHE  36 -17.217   3.546  -1.152
  270    HN2  NH2  36           H2       NHE  36 -16.868   5.252  -0.938
  Start of MODEL   18
    1    H1   ARG   1           H1       ARG   1   9.067  12.530  -3.621
    2    H2   ARG   1           H2       ARG   1   8.478  11.104  -3.075
    3    H3   ARG   1           H3       ARG   1   9.337  11.157  -4.465
    4    HA   ARG   1           HA       ARG   1  10.423  11.778  -1.789
    5    HB2  ARG   1           HB2      ARG   1  10.734   9.274  -3.419
    6    HB3  ARG   1           HB3      ARG   1  11.897   9.663  -2.470
    7    HG2  ARG   1           HG2      ARG   1   9.161   9.047  -1.393
    8    HG3  ARG   1           HG3      ARG   1  10.381   8.098  -1.366
    9    HD2  ARG   1           HD2      ARG   1  11.594  10.161  -0.033
   10    HD3  ARG   1           HD3      ARG   1  10.182  10.709   0.164
   11    HE   ARG   1           HE       ARG   1   9.897   8.011   0.945
   12   HH11  ARG   1          HH11      ARG   1  11.626  10.848   2.094
   13   HH12  ARG   1          HH12      ARG   1  11.905  10.134   3.658
   14   HH21  ARG   1          HH21      ARG   1  10.490   7.114   2.818
   15   HH22  ARG   1          HH22      ARG   1  11.212   8.081   4.098
   16    H    ASP   2           H        ASP   2  12.022  13.218  -1.879
   17    HA   ASP   2           HA       ASP   2  13.375  13.945  -4.309
   18    HB2  ASP   2           HB2      ASP   2  13.029  15.446  -2.282
   19    HB3  ASP   2           HB3      ASP   2  13.928  14.622  -1.407
   20    HA   PRO   3           HA       PRO   3  17.227  11.608  -2.873
   21    HB2  PRO   3           HB2      PRO   3  17.454  10.077  -0.712
   22    HB3  PRO   3           HB3      PRO   3  17.454  11.588  -0.585
   23    HG2  PRO   3           HG2      PRO   3  15.010  10.042   0.133
   24    HG3  PRO   3           HG3      PRO   3  15.612  11.160   0.857
   25    HD2  PRO   3           HD2      PRO   3  13.704  12.018  -0.866
   26    HD3  PRO   3           HD3      PRO   3  14.902  12.911  -0.510
   27    H    LEU   4           H        LEU   4  14.390   9.520  -2.307
   28    HA   LEU   4           HA       LEU   4  13.857   7.406  -2.863
   29    HB2  LEU   4           HB2      LEU   4  13.971   8.971  -5.185
   30    HB3  LEU   4           HB3      LEU   4  14.757   7.796  -5.689
   31    HG   LEU   4           HG       LEU   4  12.017   7.422  -4.383
   32   HD11  LEU   4          HD11      LEU   4  12.787   7.466  -7.327
   33   HD12  LEU   4          HD12      LEU   4  11.898   8.739  -6.460
   34   HD13  LEU   4          HD13      LEU   4  11.166   7.141  -6.670
   35   HD21  LEU   4          HD21      LEU   4  13.637   5.457  -6.052
   36   HD22  LEU   4          HD22      LEU   4  11.973   5.210  -5.476
   37   HD23  LEU   4          HD23      LEU   4  13.300   5.320  -4.316
   38    H    LEU   5           H        LEU   5  16.492   7.467  -1.735
   39    HA   LEU   5           HA       LEU   5  18.195   5.618  -3.216
   40    HB2  LEU   5           HB2      LEU   5  18.512   6.529  -0.376
   41    HB3  LEU   5           HB3      LEU   5  19.584   5.704  -1.133
   42    HG   LEU   5           HG       LEU   5  18.729   8.471  -2.061
   43   HD11  LEU   5          HD11      LEU   5  19.963   8.476   0.070
   44   HD12  LEU   5          HD12      LEU   5  20.925   9.176  -1.243
   45   HD13  LEU   5          HD13      LEU   5  21.266   7.524  -0.681
   46   HD21  LEU   5          HD21      LEU   5  19.528   7.194  -3.987
   47   HD22  LEU   5          HD22      LEU   5  20.955   6.648  -3.065
   48   HD23  LEU   5          HD23      LEU   5  20.758   8.361  -3.501
   49    H    ASP   6           H        ASP   6  15.705   5.164  -0.806
   50    HA   ASP   6           HA       ASP   6  16.031   2.220  -1.091
   51    HB2  ASP   6           HB2      ASP   6  17.108   3.285   1.128
   52    HB3  ASP   6           HB3      ASP   6  15.705   3.538   1.630
   53    H    ALA   7           H        ALA   7  13.912   4.780  -1.262
   54    HA   ALA   7           HA       ALA   7  11.583   3.963   0.073
   55    HB1  ALA   7           HB1      ALA   7  11.948   6.190  -0.881
   56    HB2  ALA   7           HB2      ALA   7  11.824   5.518  -2.526
   57    HB3  ALA   7           HB3      ALA   7  10.423   5.479  -1.440
   58    H    NLE   8           H        NLE   8  12.777   2.907  -3.109
   59    HA   NLE   8           HA       NLE   8  10.484   1.617  -4.048
   60    HB2  NLE   8           HB2      NLE   8  11.791   0.584  -5.659
   61    HB3  NLE   8           HB3      NLE   8  12.559   2.125  -5.361
   62    HG2  NLE   8           HG2      NLE   8  13.487  -0.611  -4.357
   63    HG3  NLE   8           HG3      NLE   8  14.159   0.275  -5.707
   64    HD2  NLE   8           HD2      NLE   8  14.326   1.129  -2.789
   65    HD3  NLE   8           HD3      NLE   8  15.601   0.382  -3.741
   66    HE1  NLE   8           HE1      NLE   8  16.013   2.764  -3.643
   67    HE2  NLE   8           HE2      NLE   8  15.571   2.340  -5.305
   68    HE3  NLE   8           HE3      NLE   8  14.388   3.133  -4.240
   69    H    ARG   9           H        ARG   9  12.485   0.550  -1.433
   70    HA   ARG   9           HA       ARG   9  11.170  -2.155  -1.398
   71    HB2  ARG   9           HB2      ARG   9  13.256  -1.240   0.548
   72    HB3  ARG   9           HB3      ARG   9  12.670  -2.673   0.446
   73    HG2  ARG   9           HG2      ARG   9  13.686  -2.670  -2.033
   74    HG3  ARG   9           HG3      ARG   9  14.407  -1.378  -1.691
   75    HD2  ARG   9           HD2      ARG   9  15.022  -3.951  -0.239
   76    HD3  ARG   9           HD3      ARG   9  15.954  -3.182  -1.186
   77    HE   ARG   9           HE       ARG   9  15.918  -1.213   0.472
   78   HH11  ARG   9          HH11      ARG   9  15.533  -4.503   1.651
   79   HH12  ARG   9          HH12      ARG   9  15.864  -4.017   3.292
   80   HH21  ARG   9          HH21      ARG   9  16.159  -0.663   2.507
   81   HH22  ARG   9          HH22      ARG   9  16.270  -1.881   3.767
   82    H    ARG  10           H        ARG  10  11.904   0.414   0.960
   83    HA   ARG  10           HA       ARG  10  10.059  -0.579   2.883
   84    HB2  ARG  10           HB2      ARG  10  11.055   1.096   4.249
   85    HB3  ARG  10           HB3      ARG  10  12.185   0.618   3.331
   86    HG2  ARG  10           HG2      ARG  10  11.328   2.728   1.781
   87    HG3  ARG  10           HG3      ARG  10  10.674   3.230   3.057
   88    HD2  ARG  10           HD2      ARG  10  13.662   2.819   2.866
   89    HD3  ARG  10           HD3      ARG  10  12.927   4.180   2.862
   90    HE   ARG  10           HE       ARG  10  12.128   3.765   5.191
   91   HH11  ARG  10          HH11      ARG  10  14.934   1.842   4.136
   92   HH12  ARG  10          HH12      ARG  10  15.476   1.682   5.783
   93   HH21  ARG  10          HH21      ARG  10  12.920   3.451   7.215
   94   HH22  ARG  10          HH22      ARG  10  14.379   2.538   7.457
   95    H    GLU  11           H        GLU  11   9.432   1.653   0.341
   96    HA   GLU  11           HA       GLU  11   6.675   2.180   1.428
   97    HB2  GLU  11           HB2      GLU  11   8.261   3.990  -0.379
   98    HB3  GLU  11           HB3      GLU  11   6.774   4.213  -0.094
   99    HG2  GLU  11           HG2      GLU  11   7.124   4.735   2.251
  100    HG3  GLU  11           HG3      GLU  11   8.374   3.892   2.427
  101    H    GLY  12           H        GLY  12   8.620   1.336  -1.463
  102    HA2  GLY  12           HA2      GLY  12   6.541   0.974  -3.332
  103    HA3  GLY  12           HA3      GLY  12   8.067   0.085  -3.310
  104    H    ALA  13           H        ALA  13   7.773  -1.420  -0.893
  105    HA   ALA  13           HA       ALA  13   5.939  -3.502  -1.691
  106    HB1  ALA  13           HB1      ALA  13   8.042  -3.930  -0.469
  107    HB2  ALA  13           HB2      ALA  13   7.392  -3.075   0.951
  108    HB3  ALA  13           HB3      ALA  13   6.635  -4.581   0.392
  109    H    NLE  14           H        NLE  14   5.744  -0.930   0.769
  110    HA   NLE  14           HA       NLE  14   3.299  -1.721   1.990
  111    HB2  NLE  14           HB2      NLE  14   4.989  -0.029   2.802
  112    HB3  NLE  14           HB3      NLE  14   4.335   1.121   1.628
  113    HG2  NLE  14           HG2      NLE  14   2.076   0.852   2.713
  114    HG3  NLE  14           HG3      NLE  14   2.820  -0.195   3.928
  115    HD2  NLE  14           HD2      NLE  14   3.500   2.739   3.409
  116    HD3  NLE  14           HD3      NLE  14   2.505   2.120   4.729
  117    HE1  NLE  14           HE1      NLE  14   5.489   1.632   4.339
  118    HE2  NLE  14           HE2      NLE  14   4.711   2.611   5.590
  119    HE3  NLE  14           HE3      NLE  14   4.495   0.849   5.594
  120    H    ASP  15           H        ASP  15   3.949   0.325  -0.865
  121    HA   ASP  15           HA       ASP  15   1.283   1.085  -1.459
  122    HB2  ASP  15           HB2      ASP  15   3.551   1.940  -2.456
  123    HB3  ASP  15           HB3      ASP  15   3.627   0.725  -3.354
  124    H    PHE  16           H        PHE  16   2.750  -2.069  -1.936
  125    HA   PHE  16           HA       PHE  16   0.348  -2.848  -3.524
  126    HB2  PHE  16           HB2      PHE  16   1.563  -4.515  -4.601
  127    HB3  PHE  16           HB3      PHE  16   2.290  -3.154  -4.840
  128    HD1  PHE  16           HD1      PHE  16   2.526  -6.006  -2.333
  129    HD2  PHE  16           HD2      PHE  16   4.607  -3.235  -4.907
  130    HE1  PHE  16           HE1      PHE  16   4.672  -7.119  -1.803
  131    HE2  PHE  16           HE2      PHE  16   6.744  -4.390  -4.414
  132    HZ   PHE  16           HZ       PHE  16   6.784  -6.329  -2.854
  133    H    TRP  17           H        TRP  17   1.849  -3.351  -0.428
  134    HA   TRP  17           HA       TRP  17   0.073  -5.555   0.307
  135    HB2  TRP  17           HB2      TRP  17   2.017  -4.785   1.756
  136    HB3  TRP  17           HB3      TRP  17   1.425  -3.378   1.936
  137    HD1  TRP  17           HD1      TRP  17   0.071  -2.941   4.040
  138    HE1  TRP  17           HE1      TRP  17  -1.209  -4.330   5.780
  139    HE3  TRP  17           HE3      TRP  17   0.466  -7.560   1.846
  140    HZ2  TRP  17           HZ2      TRP  17  -1.962  -7.085   6.174
  141    HZ3  TRP  17           HZ3      TRP  17  -0.548  -9.553   2.933
  142    HH2  TRP  17           HH2      TRP  17  -1.738  -9.335   5.099
  143    H    SER  18           H        SER  18  -0.143  -1.980   0.699
  144    HA   SER  18           HA       SER  18  -2.807  -1.956   1.705
  145    HB2  SER  18           HB2      SER  18  -2.599   0.498   1.358
  146    HB3  SER  18           HB3      SER  18  -1.337  -0.074   2.036
  147    HG   SER  18           HG       SER  18  -0.166   0.071   0.197
  148    H    ALA  19           H        ALA  19  -1.759  -2.342  -1.597
  149    HA   ALA  19           HA       ALA  19  -4.161  -1.597  -2.948
  150    HB1  ALA  19           HB1      ALA  19  -1.976  -1.986  -4.049
  151    HB2  ALA  19           HB2      ALA  19  -2.099  -3.724  -3.671
  152    HB3  ALA  19           HB3      ALA  19  -3.262  -2.967  -4.772
  153    H    GLY  20           H        GLY  20  -3.571  -4.309  -0.856
  154    HA2  GLY  20           HA2      GLY  20  -6.274  -5.439  -1.527
  155    HA3  GLY  20           HA3      GLY  20  -4.871  -6.473  -1.265
  156    H    ABA  21           H        ABU  21  -3.953  -4.600   0.936
  157    HA   ABA  21           HA       ABU  21  -3.866  -4.679   3.175
  158    HB3  ABA  21           HB3      ABU  21  -6.662  -3.552   2.880
  159    HB2  ABA  21           HB2      ABU  21  -5.180  -2.678   2.483
  160    HG1  ABA  21           HG1      ABU  21  -5.943  -2.067   4.722
  161    HG3  ABA  21           HG3      ABU  21  -4.390  -2.923   4.822
  162    HG2  ABA  21           HG2      ABU  21  -5.905  -3.763   5.240
  163    H    TYR  22           H        TYR  22  -3.639  -6.760   3.797
  164    HA   TYR  22           HA       TYR  22  -4.016  -8.732   4.796
  165    HB2  TYR  22           HB2      TYR  22  -6.886  -8.222   5.346
  166    HB3  TYR  22           HB3      TYR  22  -5.987  -9.326   6.008
  167    HD1  TYR  22           HD1      TYR  22  -3.882  -8.624   7.403
  168    HD2  TYR  22           HD2      TYR  22  -7.182  -6.017   6.432
  169    HE1  TYR  22           HE1      TYR  22  -3.340  -7.193   9.374
  170    HE2  TYR  22           HE2      TYR  22  -6.645  -4.599   8.405
  171    HH   TYR  22           HH       TYR  22  -5.279  -4.299  10.219
  172    H    ALA  23           H        ALA  23  -4.522  -8.147   1.883
  173    HA   ALA  23           HA       ALA  23  -5.412  -9.007  -0.019
  174    HB1  ALA  23           HB1      ALA  23  -5.082 -11.402  -0.345
  175    HB2  ALA  23           HB2      ALA  23  -3.721 -10.700   0.553
  176    HB3  ALA  23           HB3      ALA  23  -4.955 -11.652   1.408
  177    H    ARG  24           H        ARG  24  -7.302  -7.956   1.473
  178    HA   ARG  24           HA       ARG  24  -9.700  -9.749   1.569
  179    HB2  ARG  24           HB2      ARG  24  -8.667  -9.108   3.719
  180    HB3  ARG  24           HB3      ARG  24  -8.616  -7.562   3.371
  181    HG2  ARG  24           HG2      ARG  24 -10.430  -7.850   4.917
  182    HG3  ARG  24           HG3      ARG  24 -10.943  -7.221   3.632
  183    HD2  ARG  24           HD2      ARG  24 -11.702  -9.707   2.937
  184    HD3  ARG  24           HD3      ARG  24 -11.232 -10.178   4.320
  185    HE   ARG  24           HE       ARG  24 -13.114  -9.280   5.335
  186   HH11  ARG  24          HH11      ARG  24 -12.717  -7.595   2.274
  187   HH12  ARG  24          HH12      ARG  24 -14.258  -6.782   2.415
  188   HH21  ARG  24          HH21      ARG  24 -15.059  -8.146   5.461
  189   HH22  ARG  24          HH22      ARG  24 -15.497  -7.062   4.164
  190    H    GLY  25           H        GLY  25  -8.557  -7.536  -0.419
  191    HA2  GLY  25           HA2      GLY  25  -9.655  -6.384  -2.116
  192    HA3  GLY  25           HA3      GLY  25 -11.202  -6.634  -1.304
  193    H    VAL  26           H        VAL  26  -8.552  -5.222   0.486
  194    HA   VAL  26           HA       VAL  26  -8.534  -3.358   1.768
  195    HB   VAL  26           HB       VAL  26  -7.092  -2.846   0.045
  196   HG11  VAL  26          HG11      VAL  26  -9.333  -1.539  -1.524
  197   HG12  VAL  26          HG12      VAL  26  -7.600  -1.426  -1.886
  198   HG13  VAL  26          HG13      VAL  26  -8.414  -2.989  -1.977
  199   HG21  VAL  26          HG21      VAL  26  -8.634  -0.314   0.666
  200   HG22  VAL  26          HG22      VAL  26  -7.523  -1.136   1.790
  201   HG23  VAL  26          HG23      VAL  26  -6.919  -0.469   0.269
  202    HA   PRO  27           HA       PRO  27 -13.019  -3.397   2.165
  203    HB2  PRO  27           HB2      PRO  27 -12.543  -2.305   4.888
  204    HB3  PRO  27           HB3      PRO  27 -13.536  -3.293   4.473
  205    HG2  PRO  27           HG2      PRO  27 -11.354  -4.599   5.199
  206    HG3  PRO  27           HG3      PRO  27 -12.065  -5.107   3.966
  207    HD2  PRO  27           HD2      PRO  27  -9.531  -3.593   3.666
  208    HD3  PRO  27           HD3      PRO  27 -10.056  -4.748   2.865
  209    H    LEU  28           H        LEU  28 -11.363  -0.329   3.084
  210    HA   LEU  28           HA       LEU  28 -13.680   1.303   2.843
  211    HB2  LEU  28           HB2      LEU  28 -12.167   3.121   3.054
  212    HB3  LEU  28           HB3      LEU  28 -11.911   2.048   4.185
  213    HG   LEU  28           HG       LEU  28  -9.885   3.133   3.375
  214   HD11  LEU  28          HD11      LEU  28  -8.416   1.273   3.367
  215   HD12  LEU  28          HD12      LEU  28  -9.667   0.166   2.798
  216   HD13  LEU  28          HD13      LEU  28  -9.768   0.874   4.434
  217   HD21  LEU  28          HD21      LEU  28 -10.438   3.280   0.959
  218   HD22  LEU  28          HD22      LEU  28 -10.130   1.535   0.816
  219   HD23  LEU  28          HD23      LEU  28  -8.821   2.629   1.288
  220    H    SER  29           H        SER  29 -12.055  -0.180   0.294
  221    HA   SER  29           HA       SER  29 -13.428   1.585  -1.691
  222    HB2  SER  29           HB2      SER  29 -10.771   0.249  -2.224
  223    HB3  SER  29           HB3      SER  29 -11.619   0.990  -3.287
  224    HG   SER  29           HG       SER  29 -10.049   2.344  -2.307
  225    H    GLU  30           H        GLU  30 -13.879  -1.271  -0.261
  226    HA   GLU  30           HA       GLU  30 -14.049  -3.124  -2.479
  227    HB2  GLU  30           HB2      GLU  30 -14.120  -3.361   0.288
  228    HB3  GLU  30           HB3      GLU  30 -15.632  -3.458   0.031
  229    HG2  GLU  30           HG2      GLU  30 -14.918  -5.353  -1.760
  230    HG3  GLU  30           HG3      GLU  30 -13.538  -5.327  -1.119
  231    HA   PRO  31           HA       PRO  31 -18.080  -1.888  -4.094
  232    HB2  PRO  31           HB2      PRO  31 -18.737  -4.677  -4.792
  233    HB3  PRO  31           HB3      PRO  31 -18.843  -3.475  -5.621
  234    HG2  PRO  31           HG2      PRO  31 -16.526  -4.658  -6.139
  235    HG3  PRO  31           HG3      PRO  31 -16.532  -3.147  -6.091
  236    HD2  PRO  31           HD2      PRO  31 -15.408  -4.685  -3.794
  237    HD3  PRO  31           HD3      PRO  31 -14.896  -3.437  -4.451
  238    HA   PRO  32           HA       PRO  32 -20.952  -4.261  -0.925
  239    HB2  PRO  32           HB2      PRO  32 -19.168  -5.211   1.220
  240    HB3  PRO  32           HB3      PRO  32 -20.395  -5.822   0.730
  241    HG2  PRO  32           HG2      PRO  32 -18.358  -7.028  -0.455
  242    HG3  PRO  32           HG3      PRO  32 -19.542  -6.725  -1.331
  243    HD2  PRO  32           HD2      PRO  32 -17.142  -4.912  -1.449
  244    HD3  PRO  32           HD3      PRO  32 -17.872  -5.549  -2.560
  245    H    GLN  33           H        GLN  33 -18.195  -2.203  -0.222
  246    HA   GLN  33           HA       GLN  33 -19.787  -0.583   1.728
  247    HB2  GLN  33           HB2      GLN  33 -16.828  -0.544   1.227
  248    HB3  GLN  33           HB3      GLN  33 -17.538   0.568   2.076
  249    HG2  GLN  33           HG2      GLN  33 -17.024  -0.854   3.833
  250    HG3  GLN  33           HG3      GLN  33 -18.506  -1.127   3.678
  251   HE21  GLN  33          HE21      GLN  33 -15.449  -2.438   2.300
  252   HE22  GLN  33          HE22      GLN  33 -15.955  -4.126   2.311
  253    H    ALA  34           H        ALA  34 -19.710  -0.786  -1.447
  254    HA   ALA  34           HA       ALA  34 -19.840   0.522  -3.255
  255    HB1  ALA  34           HB1      ALA  34 -21.962   0.887  -2.064
  256    HB2  ALA  34           HB2      ALA  34 -21.284   2.342  -1.297
  257    HB3  ALA  34           HB3      ALA  34 -21.514   2.282  -3.059
  258    H    LEU  35           H        LEU  35 -17.299   0.874  -2.033
  259    HA   LEU  35           HA       LEU  35 -15.463   2.158  -1.956
  260    HB2  LEU  35           HB2      LEU  35 -16.507   2.491  -4.527
  261    HB3  LEU  35           HB3      LEU  35 -16.346   3.956  -4.182
  262    HG   LEU  35           HG       LEU  35 -14.051   1.954  -3.973
  263   HD11  LEU  35          HD11      LEU  35 -13.203   3.040  -6.005
  264   HD12  LEU  35          HD12      LEU  35 -14.623   4.110  -6.042
  265   HD13  LEU  35          HD13      LEU  35 -14.813   2.358  -6.277
  266   HD21  LEU  35          HD21      LEU  35 -12.539   3.897  -3.857
  267   HD22  LEU  35          HD22      LEU  35 -13.602   3.835  -2.452
  268   HD23  LEU  35          HD23      LEU  35 -13.938   4.988  -3.763
  269    HN1  NH2  36           H1       NHE  36 -17.641   3.052  -0.176
  270    HN2  NH2  36           H2       NHE  36 -17.282   4.734   0.169