*HEADER    ELECTRON TRANSPORT                      23-MAY-00   1F22              
*TITLE     A PROTON-NMR INVESTIGATION OF THE FULLY REDUCED CYTOCHROME            
*TITLE    2 C7 FROM DESULFUROMONAS ACETOXIDANS. COMPARISON BETWEEN THE           
*TITLE    3 REDUCED AND THE OXIDIZED FORMS.                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C7;                                             
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    TRIHEME                                                               
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    M.ASSFALG, L.BANCI, I.BERTINI, M.BRUSCHI, M.T.GIUDICI-                
*AUTHOR   2 ORTICONI                                                             
*REVDAT   1   21-JUN-00 1F22    0                                                

Table II. Experimental NOESY cross peak intensities (last column) and corresponding upper distance limits (5th column). 
Heme I, III, and IV are called HEM 69, 70, 71, respectively. 


residue atom        |      residue  atom  | distance    |      cross
      peak
      intensity

2 ASP- HN 2 ASP- HB2 4.4 3531
 HN 3 VAL HN 4.5 3090
 HN 18 LYS+ HB3 4.9 1205
 HN 18 LYS+ HG3 5.9 389
 HN 18 LYS+ HD2 4.9 1237
 HA 2 ASP- HB2 3.4 17420
 HA 3 VAL HN 4.1 5509
 HA 17 HIS HN 5.8 932.3
 HA 17 HIS HB2 4.5 2034
 HA 17 HIS HB3 4.5 1944
 HA 18 LYS+ HN 4.3 4143
 HA 18 LYS+ HA 5.7 954
 HA 18 LYS+ HB2 3.3 12400
 HA 18 LYS+ HB3 3.4 11940
 HA 19 ALA HN 6.1 700.7
 HB2 3 VAL HN 3.7 9998
 HB2 18 LYS+ HN 4.8 1301
 HB2 18 LYS+ HB2 3.4 11970
 HB2 18 LYS+ HB3 3.6 8047
 HB2 18 LYS+ HD3 3.3 13020
3 VAL HN 3 VAL HA 4.3 4047
 HN 3 VAL QG1 4.5 26920
 HN 3 VAL QG2 5.2 11310
 HN 4 VAL HN 5.6 819.6
 HN 4 VAL QG2 7.5 1494
 HN 17 HIS HB2 5.7 459
 HN 18 LYS+ HN 6.5 499
 HA 3 VAL QG1 5.6 7233
 HA 3 VAL QG2 4.3 36160
 HA 4 VAL HN 2.8 51830
 HA 4 VAL HB 4.7 2372
 HA 4 VAL QG2 6.5 3653
 HA 17 HIS HN 3.8 7865
 HA 17 HIS HB2 4.4 2461
 HA 18 LYS+ HN 5.6 1044
 QG1 4 VAL HN 6.6 3335
 QG2 14 THR HB 6.4 4006
4 VAL HN 4 VAL HA 3.4 16040
 HN 4 VAL HB 3.4 15160
 HN 4 VAL QG1 4.5 27990
 HN 4 VAL QG2 5.5 7508
 HN 5 THR HN 5.1 1346
 HN 5 THR QG2 7.5 1633
 HN 6 TYR HN 6.5 191
 HN 6 TYR CZ 7.9 405
 HN 15 PHE HN 5.1 1727
 HN 15 PHE HB2 4.8 1335
 HN 15 PHE CG 8.5 162.5
 HN 17 HIS HN 5.6 1054
 HN 17 HIS HA 6.3 584
 HN 18 LYS+ HN 6.5 271
 HA 4 VAL HB 5.9 579.7
 HA 4 VAL QG1 4.1 44180
 HA 4 VAL QG2 4.5 27200
 HA 5 THR HN 2.8 54730
 HA 6 TYR CZ 8 347
 HB 4 VAL QG1 4.4 30490
 HB 4 VAL QG2 4.6 22710
 HB 5 THR HN 4.5 3087
 HB 6 TYR CZ 6.8 1351.5
 HB 15 PHE CG 6.7 1461
 HB 15 PHE CZ 7.2 818.5
 QG1 5 THR HN 4.4 26620
 QG1 5 THR HA 6.6 3521
 QG1 5 THR HB 6.5 3672
 QG1 5 THR QG2 4.5 83310
 QG1 6 TYR HN 6.6 3430
 QG1 6 TYR CG 8.7 3045
 QG1 6 TYR CZ 8 5310
 QG1 7 GLU- HN 7.5 426
 QG1 13 VAL HN 7.5 485
 QG1 15 PHE HN 6.1 4947
 QG1 15 PHE CG 9.5 1526.5
 QG1 15 PHE CZ 8.5 3780
 QG2 5 THR HN 5.9 5898
 QG2 5 THR HA 7.5 140.7
 QG2 6 TYR HN 7.5 476
 QG2 6 TYR CG 9.5 339.5
 QG2 6 TYR CZ 9.4 1975.5
 QG2 15 PHE HN 7.5 652.1
 QG2 15 PHE CG 9.5 1778.5
 QG2 15 PHE CZ 9.5 1623.5
 QG2 17 HIS HN 7.5 1297
5 THR HN 5 THR HA 4.1 5382
 HN 5 THR HB 3.4 15330
 HN 5 THR QG2 5.4 8316
 HN 6 TYR HN 6.2 433.5
 HN 6 TYR CG 7.9 406
 HN 7 GLU- HN 6.5 242
 HN 15 PHE HN 5.6 1045
 HN 15 PHE CZ 7.9 393.5
 HA 5 THR HB 4.4 3610
 HA 5 THR QG2 4.7 19290
 HA 6 TYR HN 3.4 16400
 HA 12 ASN HB3 6.3 251
 HA 13 VAL HN 6.3 571
 HA 15 PHE HN 3.9 7073
 HA 15 PHE HZ 5 1103
 HB 5 THR QG2 4.3 34350
 HB 6 TYR HN 4.6 2661
 HB 7 GLU- HN 5.9 441
 HB 13 VAL HN 6.3 269
 HB 15 PHE HN 5.5 624
 QG2 6 TYR HN 6 5650
 QG2 6 TYR HA 6 5485
 QG2 6 TYR CG 9.5 1454.5
 QG2 6 TYR CZ 9.5 1101
 QG2 7 GLU- HN 6.3 4236
 QG2 7 GLU- HA 6.8 2896
 QG2 8 ASN HN 7.5 1115
 QG2 12 ASN HA 7.5 1534
 QG2 12 ASN HB2 4.9 15410
 QG2 12 ASN HB3 4.8 17780
 QG2 12 ASN HD21 5.4 9666
 QG2 12 ASN HD22 7.4 1960
 QG2 13 VAL HN 7.5 1672
 QG2 13 VAL HA 7.2 2193
6 TYR HN 6 TYR HA 4.5 3160
 HN 6 TYR HB2 4.5 3132
 HN 6 TYR HB3 4.6 2471
 HN 6 TYR CG 6.5 3416.5
 HN 6 TYR CZ 7.4 611.5
 HN 7 GLU- HN 5.4 942.9
 HN 7 GLU- HA 6.5 234
 HN 8 ASN HN 6.5 100
 HN 12 ASN HA 5.2 1543
 HN 12 ASN HB3 5.7 504
 HN 12 ASN HD22 6.5 181
 HN 13 VAL HN 5.4 1235
 HN 13 VAL HB 4.3 2617
 HN 14 THR HA 4.8 2270
 HA 6 TYR HB2 4.4 3401
 HA 6 TYR HB3 4 6433
 HA 6 TYR CG 4.9 7525
 HA 6 TYR CZ 6.5 861.5
 HA 7 GLU- HN 4.7 2277
 HA 7 GLU- HA 6.5 255
 HA 13 VAL HN 5.7 984
 HA 13 VAL QG1 5.4 9750
 HB2 6 TYR CG 6.7 2925.5
 HB2 6 TYR CZ 8.2 719.5
 HB2 7 GLU- HN 5.3 1158
 HB2 8 ASN HD21 6.1 330
 HB2 13 VAL HN 4.8 1405
 HB2 13 VAL HB 4.3 2544
 HB3 6 TYR CG 6.2 4728
 HB3 6 TYR CZ 7.5 1257
 HB3 7 GLU- HN 5.4 1027
 HB3 8 ASN HN 6.5 162
 HB3 8 ASN HD21 5.6 519
 HB3 8 ASN HD22 6.5 123
 HB3 13 VAL HN 5.1 901
 HB3 13 VAL HB 3.9 4807
 HB3 13 VAL QG1 5.4 8991
 HB3 13 VAL QG2 5.1 12150
 CG 6 TYR CZ 7.8 8640
 CG 7 GLU- HN 6.5 2090
 CG 7 GLU- QG 9.1 329.5
 CG 8 ASN HN 8.5 131
 CG 13 VAL HN 6.7 1543.5
 CG 13 VAL HA 8.5 160
 CG 13 VAL HB 5.9 4470
 CG 13 VAL QG1 8.3 4355
 CG 13 VAL QG2 9.5 1558.5
 CG 15 PHE HN 7.3 753
 CG 15 PHE HB2 7.1 985
 CG 15 PHE HB3 6.8 1304
 CG 15 PHE CG 10.5 111.8
 CG 15 PHE CZ 9.4 653.8
 CG 15 PHE HZ 7.7 503.5
 CG 39 ILE HB 7.2 856
 CG 39 ILE QG2 9.2 2204
 CG 70 HEM QM1 9.5 1682.5
 CG 70 HEM QT2 8.9 2654.5
 CG 71 HEM QM5 8.5 3625
 CZ 7 GLU- HN 8.5 105.5
 CZ 13 VAL QG1 9.5 1141
 CZ 13 VAL QG2 9.5 610
 CZ 15 PHE HN 7 1083
 CZ 15 PHE HB2 6.1 3782
 CZ 15 PHE HB3 6.2 2906.5
 CZ 15 PHE CG 9.6 534
 CZ 15 PHE CZ 8.2 3240
 CZ 15 PHE HZ 6.5 1933.5
 CZ 39 ILE HN 7.2 852.5
 CZ 39 ILE HB 5.9 5050
 CZ 39 ILE QG2 8.7 3071
 CZ 39 ILE HG12 7 1119.5
 CZ 39 ILE HG13 7 1118.5
 CZ 69 HEM QM5 9.5 764
 CZ 70 HEM QM1 9.4 1921.5
7 GLU- HN 7 GLU- HA 3.8 7973
 HN 7 GLU- HB2 3.4 16290
 HN 7 GLU- HB3 3.9 7355
 HN 7 GLU- QG 5.3 4646.5
 HN 8 ASN HN 6.1 484.1
 HN 12 ASN HA 5.9 803
 HN 12 ASN HD21 6.5 100
 HN 12 ASN HD22 6.2 287
 HN 13 VAL HN 6.5 223
 HN 13 VAL QG2 7.5 211
 HA 7 GLU- HB2 3.3 19860
 HA 7 GLU- QG 5.5 2393
 HA 8 ASN HN 3.2 23810
 HA 8 ASN HD21 5.8 435
 HA 12 ASN HN 6.5 333
 HA 12 ASN HB2 5.5 605
 HA 12 ASN HB3 4.4 2333
 HA 12 ASN HD21 5.2 793.3
 HA 12 ASN HD22 5.5 615
 HB2 7 GLU- QG 4.1 25040
 HB2 8 ASN HN 3.8 7868
 HB2 12 ASN HA 4.7 1446
 HB2 12 ASN HD21 4.4 2171
 HB2 12 ASN HD22 4.3 2799
 HB3 7 GLU- QG 4.5 12860
 HB3 8 ASN HN 4.4 3443
 HB3 12 ASN HA 5 1025
 HB3 12 ASN HD21 5.6 523
 HB3 12 ASN HD22 5.2 870
 QG 8 ASN HN 6.1 893
 QG 12 ASN HD21 7.3 250.5
 QG 12 ASN HD22 7.1 327
8 ASN HN 8 ASN HA 4.4 3359
 HN 8 ASN HB2 5.5 892
 HN 8 ASN HB3 4.9 1903
 HN 8 ASN HD21 5.4 1358
 HN 8 ASN HD22 6.5 301
 HN 9 LYS+ HN 6.5 165.6
 HN 9 LYS+ HA 5.4 1045
 HN 11 GLY HN 5.7 588
 HN 12 ASN HN 6.3 303.5
 HN 12 ASN HA 3.7 7222
 HN 12 ASN HB2 6.2 355
 HN 12 ASN HB3 5.9 466
 HN 12 ASN HD21 5.8 451
 HN 13 VAL HN 5 1895
 HN 13 VAL QG2 7.5 642
 HA 8 ASN HB2 3.7 9467
 HA 8 ASN HB3 3.7 10010
 HA 8 ASN HD21 6.5 262.4
 HA 9 LYS+ HN 3.5 13180
 HA 9 LYS+ HA 6.1 485.8
 HA 9 LYS+ HB2 5.7 715
 HA 9 LYS+ HB3 5.6 806.6
 HA 10 LYS+ HN 5 1266
 HA 11 GLY HN 6.5 97
 HB2 8 ASN HD21 6.1 769.4
 HB2 8 ASN HD22 6.5 161
 HB2 9 LYS+ HN 4 6008
 HB2 10 LYS+ HN 5.1 1094
 HB2 10 LYS+ QB 7.5 100.5
 HB2 11 GLY HN 6.5 88
 HB3 8 ASN HD21 4 6551
 HB3 8 ASN HD22 4.5 3706
 HB3 9 LYS+ HN 4.2 4628
 HB3 66 HIS HD1 4.4 2426
 HD21 9 LYS+ HN 5.7 482
 HD21 12 ASN HA 4.1 3639
 HD21 13 VAL QG2 6.5 3755
 HD21 66 HIS HD1 4.9 1211
 HD22 9 LYS+ HN 6.4 239
 HD22 11 GLY HN 5.3 774
 HD22 12 ASN HA 4 4174
 HD22 13 VAL HN 5.1 896
 HD22 13 VAL HB 6.5 201
 HD22 13 VAL QG2 5.9 5754
 HD22 66 HIS HD1 3.9 4648
 HD22 66 HIS HE1 4.9 1150
9 LYS+ HN 9 LYS+ HA 3.7 9322
 HN 9 LYS+ HB2 3.9 6716
 HN 9 LYS+ HB3 3.5 12710
 HN 9 LYS+ QG 5.1 5420
 HN 9 LYS+ QD 5.7 2701.5
 HN 9 LYS+ HE2 4.2 4842
 HN 9 LYS+ HE3 6.5 507.8
 HN 9 LYS+ QE 7 804
 HN 10 LYS+ HN 4.3 3795
 HN 10 LYS+ QB 7.5 103
 HN 11 GLY HN 5 1238
 HN 71 HEM QBP7 4.5 2021
 HN 71 HEM QM8 7.5 184
 HA 9 LYS+ HB2 3.5 15080
 HA 9 LYS+ HB3 3.7 9305
 HA 9 LYS+ QG 4.7 5460
 HA 9 LYS+ QD 5.3 4606
 HA 9 LYS+ HE2 5.2 1747
 HA 9 LYS+ HE3 5.2 1695
 HA 10 LYS+ HN 4.8 1998
 HA 11 GLY HN 5.4 749
 HB2 9 LYS+ QG 4.9 7680
 HB2 9 LYS+ QD 4.4 13915
 HB2 9 LYS+ QE 6.8 973.5
 HB2 10 LYS+ HN 4.6 2810
 HB2 11 GLY HN 6.5 65
 HB3 9 LYS+ QG 4.2 19325
 HB3 9 LYS+ QD 5 6460
 HB3 9 LYS+ HE2 5.3 1512
 HB3 9 LYS+ HE3 4.4 4103
 HB3 9 LYS+ QE 4.8 8330
 HB3 10 LYS+ HN 3.7 10080
 QG 9 LYS+ QE 7.2 1773.2
 QG 10 LYS+ HG3 7.5 61
 QD 9 LYS+ QE 7.2 1726
 QD 10 LYS+ HN 5.8 1427
10 LYS+ HN 10 LYS+ HA 4.2 4867
 HN 10 LYS+ QB 5 3296
 HN 10 LYS+ HG2 5 2083
 HN 10 LYS+ HG3 5.4 1347
 HN 10 LYS+ HE2 6 840.7
 HN 11 GLY HN 3.6 10820
 HN 66 HIS HD1 5.7 481.1
 HN 71 HEM QBP7 4.2 3062
 HN 71 HEM QM8 7.5 276.6
 HA 10 LYS+ QB 5.3 3923.5
 HA 10 LYS+ HG2 4.7 2873
 HA 10 LYS+ HG3 4.6 3152
 HA 10 LYS+ HE2 4 6120
 HA 10 LYS+ HE3 3.7 10070
 HA 11 GLY HN 4.9 1820
 QB 10 LYS+ HG2 6.2 1758.5
 QB 10 LYS+ HG3 5.7 2794.5
 QB 10 LYS+ HD3 7.5 25.6
 QB 10 LYS+ HE2 6.9 903
 QB 10 LYS+ HE3 4.4 13745
 QB 11 GLY HN 6.1 1427.5
 QB 66 HIS HB3 7.2 290.5
 QB 66 HIS HD1 5.7 1601.5
 QB 66 HIS HE1 5.6 1671
 QB 71 HEM QM8 8.5 891
 QB 71 HEM HDM 7.5 110.1
 HG2 10 LYS+ HD3 5.8 947.1
 HG2 10 LYS+ HE2 4.6 3321
 HG2 10 LYS+ HE3 3.6 10280
 HG2 71 HEM QM8 7.5 254.7
 HG2 71 HEM HDM 5.1 966.5
 HG3 10 LYS+ HD2 4.7 2741
 HG3 10 LYS+ HD3 4.6 3295
 HG3 10 LYS+ HE2 4 6257
 HG3 10 LYS+ HE3 3.6 11660
 HG3 11 GLY HN 5.3 767
 HG3 11 GLY HA2 5.7 471
 HG3 12 ASN HD22 6.3 263
 HG3 41 LYS+ HB3 5.5 578
 HG3 66 HIS HA 5.8 426
 HG3 66 HIS HB2 4.6 1856
 HG3 66 HIS HB3 5 1118
 HG3 66 HIS HD1 5 1120
 HG3 66 HIS HE1 3.9 4878
 HG3 71 HEM QBP7 5.9 404
 HG3 71 HEM QM8 7.3 2004
 HG3 71 HEM HDM 4.3 2552
 HG3 71 HEM QM1 7.5 1149
 HD2 10 LYS+ HE2 4.1 5677
 HD2 71 HEM QM8 7.5 804
 HD2 71 HEM QM1 5.9 6201
 HD3 10 LYS+ HE2 4.2 4794
 HD3 71 HEM HDM 5.9 373.9
 HD3 71 HEM QM1 7.5 908.8
 HE2 71 HEM HDM 4.3 2773
 HE2 71 HEM QM1 7.5 1409
 HE3 71 HEM QM8 5.4 9108
11 GLY HN 11 GLY HA1 4 6617
 HN 11 GLY HA2 4.2 4508
 HN 12 ASN HN 4.8 2042
 HN 12 ASN HA 6.5 321
 HN 13 VAL HN 5.8 490
 HN 13 VAL QG2 7.5 1571
 HN 66 HIS HA 6.5 86
 HN 66 HIS HB3 6.5 202
 HN 66 HIS HD1 4.1 3720
 HN 66 HIS HE1 5.1 983
 HN 67 ILE HN 6.5 147
 HN 71 HEM QBP7 5.8 445
 HA1 12 ASN HN 3.6 12550
 HA1 12 ASN HB3 6.5 200.3
 HA1 66 HIS HA 6.1 674.4
 HA1 67 ILE HN 6.2 629
 HA1 68 LYS+ HN 5.9 836.7
 HA1 68 LYS+ QG 7.5 174.7
 HA2 12 ASN HN 3.6 11070
 HA2 12 ASN HB2 6.5 86.4
 HA2 12 ASN HB3 6.5 247.5
 HA2 66 HIS HA 6.1 686.4
 HA2 67 ILE HN 6.5 80
 HA2 67 ILE HB 5.5 611
 HA2 67 ILE QG2 7.5 563
 HA2 68 LYS+ QG 6.2 851.5
12 ASN HN 12 ASN HA 4.2 4850
 HN 12 ASN HB2 3.7 10300
 HN 12 ASN HB3 4.2 4658
 HN 12 ASN HD21 6.5 376.4
 HN 12 ASN HD22 6.5 243
 HN 13 VAL HN 5.7 710.8
 HN 13 VAL QG2 7.5 433.9
 HN 67 ILE HN 6.5 446.5
 HN 67 ILE HB 6.5 216.4
 HA 12 ASN HB2 4.3 3882
 HA 12 ASN HB3 3.9 7145
 HA 12 ASN HD21 6 793
 HA 12 ASN HD22 6.5 375
 HA 13 VAL HN 3.7 9702
 HA 13 VAL HA 5.3 1106
 HA 13 VAL QG1 7.5 427.7
 HA 13 VAL QG2 7.5 208.2
 HB2 12 ASN HD21 3.9 7086
 HB2 12 ASN HD22 4.5 3563
 HB2 13 VAL HN 4.2 4506
 HB3 12 ASN HD21 4.3 4390
 HB3 12 ASN HD22 4.9 2237
 HB3 13 VAL HN 4.2 4583
 HD21 13 VAL HN 4.7 1511
13 VAL HN 13 VAL HA 4.8 1934
 HN 13 VAL HB 4.3 3698
 HN 13 VAL QG1 7.3 1366
 HN 13 VAL QG2 5.8 5390
 HN 14 THR HN 4.9 1752
 HN 66 HIS HD1 6.2 293
 HA 13 VAL HB 4.8 1976
 HA 13 VAL QG1 5.4 8964
 HA 13 VAL QG2 6.3 3374
 HA 14 THR HN 3.3 18390
 HA 14 THR HB 5.1 1467
 HA 67 ILE HN 6.5 81.8
 HA 67 ILE QG1 6.9 379.6
 HB 13 VAL QG1 4.2 42360
 HB 13 VAL QG2 4.9 15600
 HB 14 THR HN 5.5 845.5
 HB 71 HEM QM5 6 5558
 QG1 14 THR HN 5.6 7700
 QG1 65 CYSS HN 7.5 238
 QG1 65 CYSS HA 7.5 1050
 QG1 66 HIS HN 7.5 320
 QG1 66 HIS HA 7.5 489
 QG1 70 HEM HDM 6.9 2668
 QG1 70 HEM QM1 4.9 15170
 QG1 71 HEM HT4A 6.1 4944
 QG1 71 HEM HBM 5.7 7191
 QG1 71 HEM QM5 5.2 10810
 QG2 14 THR HN 7 2540
 QG2 65 CYSS HN 7.5 560
 QG2 65 CYSS HB2 6.4 4018
 QG2 66 HIS HN 7.5 1386
 QG2 66 HIS HA 5.5 8872
 QG2 66 HIS HD1 5.4 9692
 QG2 66 HIS HE1 5.3 10470
 QG2 67 ILE HN 7.5 941.1
 QG2 70 HEM HDM 7.5 601
 QG2 70 HEM QM1 7.2 2131
 QG2 71 HEM HT4A 7.3 2002
 QG2 71 HEM HBM 6.2 4619
 QG2 71 HEM QM5 5.3 10510
14 THR HN 14 THR HA 4.1 5490
 HN 14 THR HB 3.6 11910
 HN 14 THR QG2 5.8 5745
 HN 15 PHE HN 4.7 2216
 HN 15 PHE CZ 8.5 100.5
 HN 66 HIS HA 6.5 128.1
 HN 67 ILE HN 6.5 247
 HN 67 ILE QG2 7.5 427
 HN 67 ILE QD1 7.5 541
 HN 70 HEM QM8 7.5 244.9
 HN 70 HEM HDM 5.9 386
 HA 14 THR HB 4.3 3823
 HA 14 THR QG2 4.8 16780
 HA 15 PHE HN 3.3 18900
 HA 15 PHE CG 8.5 61
 HB 14 THR QG2 4.4 31040
 HB 15 PHE HN 4.8 2044
 HB 67 ILE HN 6.5 94
 QG2 15 PHE HN 5.1 11890
15 PHE HN 15 PHE HB2 4 5946
 HN 15 PHE HB3 4 6459
 HN 15 PHE CG 8.5 531.5
 HN 15 PHE CZ 7.5 88.5
 HN 16 ASP- HN 5.2 1239
 HN 70 HEM HDM 6 349
 HN 70 HEM QM1 7.5 1127
 HB2 15 PHE CG 8 855
 HB2 15 PHE CZ 8.5 488
 HB2 15 PHE HZ 5.7 1032
 HB2 16 ASP- HN 5.1 1332
 HB2 70 HEM QM1 7.4 1863
 HB2 70 HEM QT2 7.5 713
 HB3 15 PHE CG 8.3 664.5
 HB3 15 PHE CZ 8.5 342
 HB3 15 PHE HZ 6.5 547
 HB3 16 ASP- HN 5.1 1375
 HB3 70 HEM QM1 7.5 1233
 CG 15 PHE CZ 10.5 109.8
 CG 15 PHE HZ 8.5 346.5
 CG 16 ASP- HN 7.6 549.5
 CG 69 HEM HT4A 7.4 656
 CG 69 HEM QM5 9.5 220.5
 CG 70 HEM QM1 9.5 328.5
 CG 70 HEM QT2 9.5 338
 CZ 37 ILE HN 8.2 288.5
 CZ 37 ILE HB 8.1 329.5
 CZ 37 ILE HG13 8.2 299
 CZ 38 ALA HA 8.2 295.5
 CZ 39 ILE HB 6.5 1986
 CZ 39 ILE QG2 9.5 1115.5
 CZ 39 ILE HG12 6.8 1297
 CZ 39 ILE HG13 6.9 1269
 CZ 39 ILE QD1 9.5 1208.5
 CZ 69 HEM HT4A 8.5 77.5
 CZ 69 HEM HBM 7.7 472
 CZ 69 HEM QM5 9.5 1634
 CZ 69 HEM HA61 7.2 833.5
 CZ 70 HEM QT2 9.5 1441.5
 HZ 37 ILE HN 6.4 229
 HZ 39 ILE QG2 7.5 603
 HZ 69 HEM HBM 6.5 139
 HZ 69 HEM QM5 7.5 703
16 ASP- HN 17 HIS HN 5.7 731
 HN 70 HEM HDM 5.4 642
 HB2 17 HIS HN 5.7 712.8
 HB2 19 ALA QB 5.6 8115
 HB3 17 HIS HN 5.2 1193
 HB3 19 ALA HN 5.9 442
 HB3 19 ALA QB 4.9 14950
 HB3 20 HIS HN 5.8 497.6
17 HIS HN 17 HIS HA 3.5 13670
 HN 17 HIS HB2 3.7 9456
 HN 17 HIS HB3 3.8 8095
 HN 18 LYS+ HN 4.6 2802
 HN 18 LYS+ HA 6.5 328
 HN 19 ALA HN 5.9 440
 HN 19 ALA QB 6.1 569.1
 HN 20 HIS HN 6.5 261.9
 HA 17 HIS HB2 4.7 2198
 HA 17 HIS HB3 3.3 20320
 HA 18 LYS+ HN 5.7 747.3
 HB2 18 LYS+ HN 4.5 3006
 HB3 18 LYS+ HN 5.3 1176
18 LYS+ HN 18 LYS+ HA 4.1 5550
 HN 18 LYS+ HB2 3.5 13750
 HN 18 LYS+ HB3 3.9 7211
 HN 18 LYS+ HG2 4.8 2605
 HN 18 LYS+ HG3 5 2118
 HN 18 LYS+ HD2 5.1 1828
 HN 18 LYS+ HD3 5.3 1549
 HN 19 ALA HN 3.9 7424
 HN 19 ALA QB 5.5 1449
 HN 21 ALA QB 5.2 1571
 HA 18 LYS+ HB2 3.8 8339
 HA 18 LYS+ HB3 3.5 14630
 HA 18 LYS+ HG2 3 27570
 HA 18 LYS+ HG3 3.8 8628
 HA 18 LYS+ HD3 3.5 11920
 HA 19 ALA HN 4.5 2815
 HA 20 HIS HN 6.2 346.5
 HA 21 ALA QB 3.6 14770
 HA 22 GLU- HN 5 1195
 HB2 18 LYS+ HD3 2.9 33750
 HB2 19 ALA HN 3.8 8847
 HB3 18 LYS+ HG2 2.9 31980
 HB3 18 LYS+ HG3 3.2 19070
 HB3 18 LYS+ HD2 4.1 5632
 HB3 19 ALA HN 4.8 2063
 HG2 18 LYS+ HD2 3.3 18300
 HG2 18 LYS+ HD3 3.6 11190
 HG2 19 ALA HN 4 4282
 HG2 19 ALA HA 4.6 1705
 HG3 18 LYS+ HD2 3.6 11610
 HG3 18 LYS+ HD3 3.9 7309
 HG3 19 ALA HN 4.1 3727
 HD3 19 ALA HN 4 4256
19 ALA HN 19 ALA HA 3.8 9006
 HN 19 ALA QB 3.5 25430
 HN 20 HIS HN 4 5916
 HN 20 HIS HA 6.5 293.4
 HN 20 HIS HD1 5.4 652.9
 HN 21 ALA HN 4.9 1372
 HA 19 ALA QB 3.5 63950
 HA 20 HIS HN 4.4 3558
 HA 20 HIS HA 5.9 607.1
 HA 21 ALA HN 5.3 847.3
 HA 22 GLU- HN 4.4 2622
 HA 22 GLU- HB2 4.2 3383
 HA 22 GLU- HG2 3.7 6167
 HA 22 GLU- HG3 3.9 4587
 HA 22 GLU- QG 5.1 3338
 HA 23 LYS+ HN 5.7 574.9
 QB 20 HIS HN 3.7 17660
 QB 20 HIS HD1 5.9 5745
 QB 21 ALA HN 4.8 2477
 QB 22 GLU- HN 5.8 777.2
20 HIS HN 20 HIS HA 3.9 6891
 HN 20 HIS QB 4.8 4454
 HN 20 HIS HD1 3.7 9363
 HN 21 ALA HN 3.6 10900
 HN 21 ALA HA 6.5 288
 HN 21 ALA QB 5.2 2184
 HN 22 GLU- HN 5 1241
 HN 69 HEM HAM 6.5 56.2
 HA 20 HIS QB 5.2 4769.5
 HA 20 HIS HD1 5.7 1092
 HA 21 ALA HN 5 1561
 HA 23 LYS+ HN 4.9 1409
 HA 23 LYS+ HB2 4.1 4494
 HA 23 LYS+ HB3 5.1 1153
 HA 23 LYS+ HG3 4.4 2446
 HA 24 LEU HN 5.5 719.9
 HA 24 LEU QD1 6.5 3658
 HB3 21 ALA HN 3.8 7925
 QB 20 HIS HD1 6.3 1514.5
 QB 21 ALA HN 5.6 2595.5
 QB 22 GLU- HN 7.1 361.5
 HD1 21 ALA HN 5.1 909.7
 HD1 21 ALA QB 7.5 144.5
 HD1 69 HEM QT4 7.5 929.4
21 ALA HN 21 ALA HA 4 5847
 HN 21 ALA QB 3.5 36780
 HN 22 GLU- HN 3.9 7578
 HN 22 GLU- HG2 4.3 2792
 HN 22 GLU- QG 5.9 1166.5
 HN 23 LYS+ HN 5.2 1046
 HN 24 LEU HN 6.2 339
 HN 25 GLY HN 5.5 707
 HN 69 HEM HAM 5.1 934.5
 HN 69 HEM QM3 6.4 3831
 HN 69 HEM QT4 7.5 485
 HA 21 ALA QB 3.5 24520
 HA 23 LYS+ HN 6.5 129.3
 HA 24 LEU HN 4.4 2615
 HA 24 LEU QD1 7.5 1053
 HA 25 GLY HN 3.9 5715
 HA 26 CYSS HN 5.5 1176
 HA 69 HEM HT2A 4.1 3570
 HA 69 HEM HAM 3.4 10260
 HA 69 HEM QM3 4.7 18510
 QB 22 GLU- HN 3.9 11880
 QB 23 LYS+ HN 5.9 731.1
 QB 24 LEU HN 6.9 272.8
 QB 25 GLY HN 5.3 1344
 QB 25 GLY HA2 5.4 1282
 QB 26 CYSS HN 6.4 3886
 QB 26 CYSS HA 7.5 1038
 QB 69 HEM QM1 6.5 3599
 QB 69 HEM HT2A 4.6 20600
 QB 69 HEM QT2 4 44760
 QB 69 HEM HAM 4.6 20360
 QB 69 HEM QM3 5.3 10140
22 GLU- HN 22 GLU- HA 3.8 8932
 HN 22 GLU- HB2 3.9 6918
 HN 22 GLU- HB3 4.5 2970
 HN 22 GLU- HG2 3.6 10830
 HN 22 GLU- HG3 3.6 11580
 HN 22 GLU- QG 4.6 10740
 HN 23 LYS+ HN 4 6363
 HN 23 LYS+ HA 6.5 127.8
 HN 24 LEU HN 5.2 1024
 HN 25 GLY HN 4.4 2575
 HA 22 GLU- HB2 3.9 7221
 HA 22 GLU- HB3 3.6 12210
 HA 22 GLU- HG2 4.2 5248
 HA 22 GLU- HG3 3.7 9642
 HA 22 GLU- QG 5 3845
 HA 23 LYS+ HN 4.8 1937
 HB2 22 GLU- HG2 3.2 19130
 HB2 22 GLU- QG 5.1 5930
 HB2 23 LYS+ HN 6 501.6
 HB2 23 LYS+ HG2 3.7 7084
 HB3 22 GLU- HG2 3.1 25260
 HB3 22 GLU- QG 4.6 10795
 HB3 23 LYS+ HN 5.1 1392
 HB3 23 LYS+ HG2 5.8 411
 HG2 23 LYS+ HN 3.6 8203
 HG3 23 LYS+ HN 3.3 12780
23 LYS+ HN 23 LYS+ HA 3.9 6694
 HN 23 LYS+ HB2 3.6 12690
 HN 23 LYS+ HB3 3.4 17070
 HN 23 LYS+ HG2 4.1 5966
 HN 23 LYS+ HG3 4.3 4248
 HN 23 LYS+ HD2 3.7 8915
 HN 23 LYS+ HD3 4.5 3339
 HN 23 LYS+ QE 7.3 656
 HN 24 LEU HN 3.8 7992
 HN 24 LEU HA 5.5 848
 HN 24 LEU QB 7.5 307
 HN 24 LEU QD1 7.5 497.4
 HN 25 GLY HN 5.2 990
 HA 23 LYS+ HB2 3.5 14220
 HA 23 LYS+ HB3 3.6 10920
 HA 23 LYS+ HG2 4.2 4722
 HA 23 LYS+ HG3 3.3 17310
 HA 23 LYS+ HD2 3.5 12630
 HA 23 LYS+ HD3 4.1 5964
 HA 23 LYS+ QE 7.5 369
 HA 24 LEU HN 4.2 4906
 HB2 23 LYS+ HG2 5.2 1625
 HB2 23 LYS+ HG3 3.5 11750
 HB2 23 LYS+ HD2 2.9 30130
 HB2 23 LYS+ QE 6 2139.5
 HB3 23 LYS+ HG3 3 27150
 HB3 23 LYS+ QE 6.5 1306
 HB3 24 LEU HN 3.7 10220
 HG2 23 LYS+ HD2 5.2 1729
 HG2 23 LYS+ HD3 5.1 1807
 HG2 23 LYS+ QE 6.4 1428.5
 HG3 24 LEU HN 4.4 2439
 HG3 70 HEM QM5 7.4 1898
 HD2 23 LYS+ QE 4.7 9995
 HD2 24 LEU HN 4.7 1561
 HD3 23 LYS+ QE 4.8 8815
24 LEU HN 24 LEU HA 3.9 7404
 HN 24 LEU QB 4.2 11010
 HN 24 LEU HG 3.7 8873
 HN 24 LEU QD1 5.9 5321
 HN 24 LEU QD2 5.1 12800
 HN 25 GLY HN 3.5 14960
 HN 25 GLY HA2 5 1685
 HN 26 CYSS HN 6.5 237
 HN 69 HEM QM3 7.5 834.9
 HN 70 HEM QT4 7.5 300
 HA 24 LEU QB 5.7 2280.5
 HA 24 LEU HG 4 6288
 HA 24 LEU QD1 6.6 2500
 HA 24 LEU QD2 4.5 26830
 HA 25 GLY HN 4.4 3351
 HA 28 ALA QB 5.2 1614
 QB 24 LEU HG 4.7 10090
 QB 24 LEU QD1 6.6 6875
 QB 24 LEU QD2 6.6 7250
 QB 25 GLY HN 5.5 2829
 QB 25 GLY HA2 6.6 770
 QB 69 HEM QM3 8 2516
 QB 70 HEM HT4A 6.5 618
 QB 70 HEM QT4 8.5 385.8
 HG 24 LEU QD1 5.1 11750
 HG 24 LEU QD2 5.4 8728
 HG 69 HEM QM3 5.8 6275
 QD1 25 GLY HN 7.5 1080
 QD1 28 ALA QB 5.8 17170
 QD1 29 CYSS HN 7.4 1945
 QD1 69 HEM HAM 7.5 1322
 QD1 69 HEM QM3 5.1 12550
 QD1 69 HEM QT4 5.6 7639
 QD1 70 HEM QM3 7.4 1970
 QD1 70 HEM HT4A 4.6 21090
 QD1 70 HEM QT4 4.6 21460
 QD1 70 HEM HBM 5.1 12420
 QD1 70 HEM QM5 5.8 6722
 QD2 69 HEM QM3 6.9 2635
 QD2 70 HEM HT4A 5 14060
 QD2 70 HEM QT4 5.3 10210
 QD2 70 HEM HBM 5.5 8331
 QD2 70 HEM QM5 5.1 12060
25 GLY HN 25 GLY HA1 3.7 9140
 HN 25 GLY HA2 3.6 12530
 HN 26 CYSS HN 5.4 980
 HN 26 CYSS HA 5.7 745
 HN 27 ASP- HN 5.1 1063
 HN 69 HEM QM3 7.5 1200
 HA1 26 CYSS HN 5.4 958
 HA1 27 ASP- HN 4.9 1411
 HA1 28 ALA HN 5.8 517
 HA2 26 CYSS HN 3.4 17470
 HA2 27 ASP- HN 4.9 1485
 HA2 28 ALA HN 5.2 1046
 HA2 69 HEM HT2A 6.4 240.3
26 CYSS HN 26 CYSS HA 3.5 12760
 HN 26 CYSS HB2 5.4 958
 HN 26 CYSS HB3 4.7 2241
 HN 27 ASP- HN 3.6 11540
 HN 28 ALA HN 5.5 687
 HN 28 ALA QB 4.8 2381
 HN 69 HEM QT2 6.1 5183
 HN 69 HEM QM3 7.4 1868
 HA 26 CYSS HB2 4.2 4793
 HA 26 CYSS HB3 4 6360
 HA 27 ASP- HN 4.5 2859
 HA 28 ALA HN 5.1 1148
 HA 28 ALA QB 6.1 572.3
 HA 29 CYSS HN 5.9 453
 HA 29 CYSS HB3 6.5 186
 HA 30 HIS HN 6.5 195
 HA 69 HEM QT2 6.7 3141
 HA 69 HEM QM3 4.9 15970
 HB3 27 ASP- HN 5.3 1178
27 ASP- HN 27 ASP- HA 3.8 8850
 HN 27 ASP- HB2 3.5 14610
 HN 27 ASP- HB3 3.6 11160
 HN 28 ALA HN 3.6 10850
 HN 28 ALA HA 5.2 1254
 HN 28 ALA QB 4.9 2972
 HN 29 CYSS HN 5.6 608.6
 HA 27 ASP- HB2 3.4 16010
 HA 27 ASP- HB3 3.9 6823
 HA 28 ALA HN 4.8 1986
 HA 29 CYSS HN 5.2 988
 HA 30 HIS HN 4.5 2402
 HA 30 HIS HB2 5.6 661
 HA 31 GLU- HA 3.5 10330
 HB2 28 ALA HN 4.7 2230
 HB2 29 CYSS HN 6.5 150
 HB3 28 ALA HN 5.1 1481
 HB3 29 CYSS HN 6.5 185
 HB3 31 GLU- HG3 3.9 4874
28 ALA HN 28 ALA HA 3.6 10900
 HN 28 ALA QB 3.5 27660
 HN 29 CYSS HN 4.1 5311
 HN 30 HIS HN 4.3 3125
 HN 69 HEM QM3 7.5 1793
 HN 70 HEM QT4 7.5 740.4
 HA 28 ALA QB 3.5 33210
 HA 29 CYSS HN 4.9 1879
 HA 30 HIS HN 5.9 450
 HA 70 HEM QT4 7.5 371.3
 QB 29 CYSS HN 4.4 6263
 QB 29 CYSS HA 6.5 539
 QB 30 HIS HN 5.6 962.5
 QB 69 HEM QM3 4.9 14570
 QB 70 HEM HT4A 7.5 1705
 QB 70 HEM QT4 4.7 19700
29 CYSS HN 29 CYSS HA 4.4 3392
 HN 29 CYSS HB2 5.4 1043
 HN 29 CYSS HB3 4.3 4105
 HN 30 HIS HN 3.8 8846
 HN 30 HIS HA 6.3 380
 HN 31 GLU- HN 6.5 153
 HN 37 ILE QD1 7.5 570
 HN 69 HEM HAM 6.5 113
 HN 69 HEM QM3 7.3 2063
 HN 69 HEM HT4A 6.1 309
 HN 70 HEM QT4 7.5 463
 HA 29 CYSS HB2 4 6333
 HA 29 CYSS HB3 3.9 7425
 HA 30 HIS HN 5 1577
 HA 37 ILE QD1 7.5 468.2
 HA 69 HEM HT4A 6.5 176.7
 HB2 30 HIS HN 4.5 3134
 HB2 37 ILE QD1 6.6 3471
 HB2 69 HEM HT4A 4.3 2650
 HB2 69 HEM HBM 4.4 2324
 HB3 30 HIS HN 4.8 1915
 HB3 37 ILE QD1 6.3 4279
 HB3 69 HEM HT4A 4.3 2781
 HB3 69 HEM HBM 4.5 1999
30 HIS HN 30 HIS HA 4.6 2758
 HN 30 HIS HB2 4.4 3316
 HN 30 HIS HB3 4.9 1687
 HN 30 HIS HD1 6.5 492
 HN 31 GLU- HN 5.2 1308
 HN 31 GLU- HB3 6.5 103
 HN 37 ILE QD1 7.5 870
 HN 69 HEM HAM 6.5 89
 HN 69 HEM QM3 7.5 644
 HA 30 HIS HB2 3.6 11380
 HA 30 HIS HB3 3.6 11570
 HA 30 HIS HD1 3.7 9514
 HA 31 GLU- HN 3.1 28550
 HA 31 GLU- HA 4.6 2549
 HA 31 GLU- HB2 5.8 627
 HA 31 GLU- HB3 5.9 558
 HA 32 GLY HN 5.8 501.8
 HA 34 PRO HA 5.5 702
 HA 34 PRO HG2 6.3 264
 HA 37 ILE QD1 5.8 6704
 HB2 30 HIS HD1 4.5 3625
 HB2 31 GLU- HN 5.4 959
 HB2 31 GLU- HA 6.5 209
 HB2 34 PRO HA 6.5 126
 HB2 34 PRO HG2 5.5 590.5
 HB2 34 PRO HG3 4.7 1478
 HB2 37 ILE QD1 7.5 1246
 HB3 30 HIS HD1 4.2 5111
 HB3 31 GLU- HN 4.6 2699
 HB3 34 PRO HA 4.7 1818
 HB3 34 PRO HB3 3.6 8296
 HD1 31 GLU- HN 4.9 1211
 HD1 34 PRO HA 4 4102
 HD1 34 PRO HB2 4.3 2700
 HD1 34 PRO HB3 3.9 4522
 HD1 34 PRO HG2 4.6 1737
 HD1 34 PRO HG3 5.9 376
 HD1 36 LYS+ HN 5.9 391
 HD1 37 ILE QG2 6.9 2680
 HD1 37 ILE HG12 4.3 2755
 HD1 37 ILE HG13 4.8 1324
 HD1 37 ILE QD1 5.9 5836
31 GLU- HN 31 GLU- HA 3.9 7420
 HN 31 GLU- HB2 4.5 3093
 HN 31 GLU- HB3 4.8 2102
 HN 31 GLU- HG2 3.8 8298
 HN 31 GLU- HG3 3.7 10010
 HN 32 GLY HN 4.7 2312
 HN 32 GLY HA1 6.5 192.3
 HN 33 THR HN 6.5 207
 HN 37 ILE QD1 7.5 1329
 HA 31 GLU- HB2 4.1 5545
 HA 31 GLU- HB3 4.3 4059
 HA 31 GLU- HG2 3.6 10380
 HA 31 GLU- HG3 3.7 9937
 HA 32 GLY HN 3.6 11990
 HB2 31 GLU- HG2 3.4 13730
 HB2 31 GLU- HG3 3.8 7921
 HB2 32 GLY HN 4.8 2151
 HB3 32 GLY HN 4.7 2293
 HG2 32 GLY HN 4.1 3664
 HG3 32 GLY HN 4.2 2974
32 GLY HN 32 GLY HA1 3.6 11430
 HN 32 GLY HA2 3.4 15990
 HN 33 THR HN 4 6287
 HA1 33 THR HN 3.6 10730
 HA2 33 THR HN 3.5 13370
33 THR HN 33 THR HA 4.7 2356
 HN 33 THR HB 3.9 7271
 HN 33 THR QG2 6 4792
 HN 34 PRO HD2 5.8 441
 HA 33 THR QG2 5.4 8960
 HB 33 THR QG2 4.4 31720
34 PRO HA 34 PRO HB2 3.9 6935
 HA 34 PRO HB3 3.5 13410
 HA 34 PRO HG2 5.4 1454
 HA 34 PRO HG3 6.5 457.9
 HA 34 PRO HD2 4.5 3634
 HA 35 ALA HN 6.5 29
 HA 35 ALA QB 7.5 83
 HA 36 LYS+ HN 6.4 283
 HA 69 HEM QM8 7.5 576.5
 HA 69 HEM HDM 5.4 665.7
 HB2 34 PRO HG2 5.1 1814
 HB2 34 PRO HG3 5.4 1399
 HB2 36 LYS+ HN 3.2 18810
 HB3 34 PRO HG2 4.1 5458
 HB3 34 PRO HG3 5.5 1262
 HG2 34 PRO HD2 5.7 1077
 HG2 35 ALA HN 6.5 178
 HG2 35 ALA QB 6.7 3054
 HG2 36 LYS+ HN 6.5 194
 HG2 69 HEM QM8 7 2458
 HG2 69 HEM HDM 3.8 5457
 HG2 69 HEM QM1 7.1 2428
 HG3 34 PRO HD2 6 856.9
 HG3 35 ALA HN 6 338
 HG3 35 ALA QB 7.5 1680
 HG3 69 HEM QM8 7.5 1747
 HG3 69 HEM HDM 5.3 744
 HG3 69 HEM QM1 7.2 2184
35 ALA HN 35 ALA QB 5.2 2215
36 LYS+ HN 36 LYS+ HA 4.5 3019
 HN 36 LYS+ HB2 3.9 6828
 HN 36 LYS+ HB3 4.8 2025
 HN 36 LYS+ HG2 4.4 3830
 HN 36 LYS+ HG3 3.6 10830
 HN 36 LYS+ QD 6.3 1589.5
 HN 36 LYS+ HE2 5.9 906
 HN 36 LYS+ HE3 6.5 202
 HN 37 ILE HN 5.5 925
 HN 37 ILE QD1 7.5 197
 HN 69 HEM QM8 7.5 1300
 HN 69 HEM HGM 4.3 2493
 HA 36 LYS+ HB2 4.2 4402
 HA 36 LYS+ HB3 4.2 4601
 HA 36 LYS+ HG2 4.5 3705
 HA 36 LYS+ HG3 4.1 5857
 HA 36 LYS+ QD 6.8 972.5
 HA 36 LYS+ HE2 5.6 1183
 HA 36 LYS+ HE3 6.5 466
 HA 37 ILE HG12 4.8 1437
 HA 37 ILE HG13 5.4 693
 HB2 36 LYS+ HG2 3.2 21380
 HB2 36 LYS+ HG3 3.1 22700
 HB2 37 ILE HN 5.1 1380
 HB3 36 LYS+ HG2 2.8 40460
 HB3 37 ILE HN 5 1563
 HG2 36 LYS+ QD 5.1 5965
 HG2 37 ILE HN 4.9 1160
 HG3 37 ILE HN 5 1034
 QD 37 ILE HN 7 345
 QD 38 ALA HN 7.5 138
 HE2 37 ILE HN 5.3 774
 HE3 37 ILE HN 5.2 814
37 ILE HN 37 ILE HA 4.4 3498
 HN 37 ILE HB 3.8 9001
 HN 37 ILE QG2 6.7 2364
 HN 37 ILE HG12 4.4 3962
 HN 37 ILE HG13 4.8 2520
 HN 37 ILE QD1 6.8 2094
 HN 38 ALA HN 5.7 756.3
 HN 69 HEM QM5 7.1 2346
 HN 69 HEM HGM 3.8 6001
 HN 69 HEM HA61 4 4389
 HN 69 HEM HA62 3.5 8615
 HA 37 ILE HB 4.1 5373
 HA 37 ILE QG2 5.4 9070
 HA 37 ILE HG13 3.9 7663
 HA 37 ILE QD1 6.7 2350
 HA 38 ALA HN 3.4 42200
 HA 38 ALA HA 5.5 875.8
 HB 37 ILE QG2 5.3 10310
 HB 37 ILE HG12 3.7 9563
 HB 37 ILE HG13 3 27060
 HB 37 ILE QD1 5.3 9956
 HB 38 ALA HN 5.2 1267
 HB 69 HEM QM5 5.9 5943
 QG2 37 ILE HG12 4 50240
 QG2 37 ILE HG13 4.8 17230
 QG2 37 ILE QD1 5.8 16840
 QG2 38 ALA HN 6.7 3128
 QG2 38 ALA HA 7.5 566
 QG2 39 ILE QD1 8.5 193
 QG2 69 HEM HBM 7.5 455.8
 QG2 69 HEM QM5 7.5 944
 HG12 37 ILE QD1 4.8 18450
 HG12 38 ALA HN 4.6 1669
 HG12 69 HEM QM5 7.5 890
 HG13 37 ILE QD1 4.4 30590
 HG13 38 ALA HN 3.2 16440
 HG13 39 ILE HG12 4.3 2823
 HG13 39 ILE HG13 4.3 2496
 HG13 69 HEM QM5 5.6 7673
 QD1 38 ALA HN 7.4 1909
 QD1 39 ILE HN 7.5 242
 QD1 39 ILE QD1 6.7 7207
 QD1 69 HEM HT4A 6.7 3203
 QD1 69 HEM HBM 6.1 5087
 QD1 69 HEM QM5 5.7 7167
38 ALA HN 38 ALA HA 3.6 10910
 HN 38 ALA QB 3.5 48380
 HN 39 ILE HN 4.4 3545
 HN 39 ILE HB 6.1 465
 HN 39 ILE QG2 7.5 468
 HN 39 ILE QD1 7.5 432
 HN 69 HEM HBM 6.5 131
 HN 69 HEM QM5 7.5 389
 HN 69 HEM HGM 6.5 135
 HA 38 ALA QB 3.5 36280
 QB 40 ASP- HN 5.7 878
39 ILE HN 39 ILE HA 3.1 26800
 HN 39 ILE HB 3.4 15210
 HN 39 ILE QG2 6.1 4058
 HN 39 ILE HG12 4 6545
 HN 39 ILE HG13 4.6 3294
 HN 39 ILE QD1 6.2 3845
 HN 40 ASP- HN 5.1 1359
 HN 69 HEM HBM 6.5 87
 HN 69 HEM QM5 7.5 358.3
 HA 39 ILE HB 4 6376
 HA 39 ILE QG2 5 14290
 HA 39 ILE HG12 4.3 4350
 HA 39 ILE HG13 4.8 2452
 HA 39 ILE QD1 4.6 22220
 HA 40 ASP- HN 3.3 21360
 HA 43 SER HN 4.9 1499
 HA 43 SER HB3 4.7 1904
 HA 48 ALA QB 7.5 1131
 HA 69 HEM QM5 7.5 472.8
 HA 70 HEM QT2 7.5 657.8
 HB 39 ILE QG2 4.5 27830
 HB 39 ILE HG12 3.3 16960
 HB 39 ILE HG13 3.1 23780
 HB 39 ILE QD1 5.4 8786
 HB 40 ASP- HN 5.1 1444
 HB 69 HEM QM5 7.5 1110
 HB 71 HEM QM5 7.5 1046
 QG2 39 ILE HG12 5.1 11750
 QG2 39 ILE HG13 5 14570
 QG2 39 ILE QD1 5.1 48890
 QG2 40 ASP- HN 6 5646
 QG2 40 ASP- HA 7.5 1730
 QG2 44 ALA HN 6.4 4109
 QG2 44 ALA HA 6.3 4213
 QG2 44 ALA QB 6.3 9862
 QG2 48 ALA QB 7.5 3616
 QG2 69 HEM QM5 6.9 2682
 QG2 70 HEM QM1 7.5 55.8
 QG2 70 HEM QT2 5.4 8982
 QG2 71 HEM QM5 4.8 16940
 QG2 71 HEM HA61 5.3 10470
 QG2 71 HEM HA62 7.2 2201
 QG2 71 HEM QBP6 7.5 424.2
 HG12 39 ILE QD1 5 13120
 HG12 40 ASP- HN 5.1 915
 HG12 69 HEM QM5 6.6 3388
 HG12 70 HEM QT2 5.8 6342
 HG13 39 ILE QD1 4.9 16670
 HG13 40 ASP- HN 5.4 637
 HG13 70 HEM QT2 5.5 8233
 QD1 40 ASP- HN 6 5408
 QD1 44 ALA HN 7.1 2301
 QD1 48 ALA HA 7.5 673.8
 QD1 48 ALA QB 4.5 91270
 QD1 69 HEM QM5 5.5 8809
 QD1 70 HEM HT2A 7.4 1929
40 ASP- HN 40 ASP- HA 4.6 2764
 HN 40 ASP- HB3 5.6 795
 HN 41 LYS+ HN 4.9 1844
 HN 43 SER HA 5.7 544
 HN 43 SER HB2 5.6 635
 HN 44 ALA HN 4.2 3613
 HN 44 ALA QB 4.7 2868
 HN 71 HEM QM5 7.5 327.3
 HA 40 ASP- HB2 3.7 10080
 HA 40 ASP- HB3 3.5 14510
 HA 41 LYS+ HN 3.4 15200
 HA 42 LYS+ HN 6.5 204
 HA 71 HEM HA61 5.1 950.4
 HB2 41 LYS+ HN 3.5 14450
 HB2 42 LYS+ HN 5.8 501
 HB3 41 LYS+ HN 3.4 15580
41 LYS+ HN 41 LYS+ HA 4 6077
 HN 41 LYS+ HB2 3.4 15130
 HN 41 LYS+ HB3 3.5 14680
 HN 41 LYS+ HG2 6.5 291
 HN 41 LYS+ HG3 6.5 382
 HN 41 LYS+ HD2 6.2 701
 HN 41 LYS+ HD3 6.1 748
 HN 41 LYS+ QE 7.4 604.5
 HN 42 LYS+ HN 4.1 5518
 HN 44 ALA QB 5.3 1422
 HA 41 LYS+ HG3 6.5 258
 HA 41 LYS+ HD2 4.8 2472
 HA 41 LYS+ HD3 5.4 1375
 HA 42 LYS+ HN 5.6 818
 HB2 41 LYS+ HG2 6.5 372
 HB2 41 LYS+ HG3 6.3 665
 HB2 41 LYS+ HD2 6.5 559
 HB2 41 LYS+ HD3 6 841
 HB2 42 LYS+ HN 3.9 7390
 HB2 71 HEM QAP7 5.8 453.1
 HB2 71 HEM HGM 4.2 3023
 HB3 41 LYS+ HG2 4.9 2297
 HB3 41 LYS+ HG3 5.1 1824
 HB3 42 LYS+ HN 3.6 12600
 HG2 41 LYS+ QE 7.5 507.5
 HG3 41 LYS+ HD2 6.2 671
 HG3 41 LYS+ QE 7.4 596.5
 HD2 42 LYS+ HN 6.2 297
 HD3 41 LYS+ QE 7.5 203
42 LYS+ HN 42 LYS+ HA 3.7 10150
 HN 42 LYS+ HG2 4.7 2682
 HN 42 LYS+ HG3 3.8 8679
 HN 43 SER HN 3.7 9215
 HN 44 ALA HN 4.9 1446
 HN 44 ALA QB 6.4 429.7
 HN 45 HIS HN 6.5 87
 HA 42 LYS+ HB3 4.8 1983
 HA 42 LYS+ HG2 3.8 7874
 HA 42 LYS+ HG3 4 6276
 HA 42 LYS+ QE 7.5 335.3
 HA 43 SER HN 4.4 3230
 HA 45 HIS HN 4.6 2137
 HB2 42 LYS+ HG3 3 26070
 HB3 42 LYS+ HG2 2.5 63720
 HB3 42 LYS+ HG3 2.8 42460
 HB3 43 SER HN 4.6 2555
 HG2 42 LYS+ QE 5.3 4266
 HG2 43 SER HN 4.7 1614
 HG3 42 LYS+ QE 5.5 3669.5
 HG3 43 SER HN 5 1036
 HG3 45 HIS HN 6.5 207
43 SER HN 43 SER HA 3.1 31620
 HN 43 SER HB2 3.6 11890
 HN 43 SER HB3 3.4 17420
 HN 44 ALA HN 3.5 14590
 HN 44 ALA HA 5.9 557.2
 HN 44 ALA QB 5.8 1054
 HN 45 HIS HN 5.6 645
 HA 43 SER HB2 4.2 4712
 HA 43 SER HB3 3.1 26350
 HA 44 ALA HN 3.8 8241
 HA 45 HIS HN 6.5 156
 HA 46 LYS+ HN 4.3 2968
 HB2 44 ALA HN 4.7 2204
 HB2 44 ALA QB 7.5 765.8
 HB2 45 HIS HN 5.9 457.2
 HB3 44 ALA HN 4.1 5163
 HB3 44 ALA QB 6.1 5114
 HB3 45 HIS HN 5.3 838.7
 HB3 48 ALA QB 5.6 8072
44 ALA HN 44 ALA HA 3.8 7844
 HN 44 ALA QB 3.6 21400
 HN 45 HIS HN 4.3 4126
 HN 45 HIS HB3 6.5 324
 HN 46 LYS+ HN 5.6 652.4
 HN 48 ALA QB 4.2 5829
 HA 44 ALA QB 3.5 30260
 HA 45 HIS HN 4.9 1727
 HA 48 ALA HN 4.1 4492
 HA 48 ALA QB 3.6 13990
 HA 49 CYSS HN 4.2 4324
 HA 49 CYSS HB3 4.4 2280
 HA 50 LYS+ HN 5.4 1284
 QB 45 HIS HN 4.1 8383
 QB 45 HIS HA 5.2 2211
 QB 46 LYS+ HN 5 1851
 QB 49 CYSS HN 7.5 862
 QB 49 CYSS HB2 7.5 1600
 QB 49 CYSS HB3 7.5 842
 QB 71 HEM HBM 5.5 8175
 QB 71 HEM QM5 4.4 25300
45 HIS HN 45 HIS HA 4.6 2512
 HN 45 HIS HB2 4.6 2690
 HN 45 HIS HB3 4.5 3112
 HN 46 LYS+ HN 4.2 4881
 HN 71 HEM QM5 7.5 1643
 HA 45 HIS HB2 3.7 9161
 HA 45 HIS HB3 3.3 20180
 HA 46 LYS+ HN 5 1557
 HA 49 CYSS HB3 5.8 521
 HA 50 LYS+ HN 6.1 695
 HB2 46 LYS+ HN 4.6 2474
 HB3 46 LYS+ HN 5.6 812
46 LYS+ HN 46 LYS+ HA 4 6204
 HN 46 LYS+ QB 5.1 3041
 HN 46 LYS+ QG 5.7 2825
 HN 46 LYS+ QD 5.5 3556
 HN 47 ASP- HN 4.6 2723
 HN 47 ASP- HB2 6.5 78
 HN 48 ALA HN 4.5 2340
 HN 48 ALA HA 6.5 140
 HN 49 CYSS HN 5.4 783.6
 HA 46 LYS+ QB 4.5 12950
 HA 46 LYS+ QG 4.2 11065
 HA 46 LYS+ QD 4.2 20140
 HA 47 ASP- HN 4 6177
 QB 46 LYS+ QG 5.4 13602.5
 QB 46 LYS+ QD 5.8 8225
 QB 47 ASP- HN 4.5 14735
 QB 48 ALA HN 5.9 1372
 QG 46 LYS+ QD 5.1 22302.5
 QG 47 ASP- HN 4.3 14155
 QG 47 ASP- HA 7.1 306
 QD 46 LYS+ QE 5.5 11842.5
 QD 47 ASP- HN 4.6 7860
 QD 47 ASP- HB3 4.3 13385
 QD 48 ALA HN 5.7 1518
47 ASP- HN 47 ASP- HA 3.7 10130
 HN 47 ASP- HB2 3.9 7328
 HN 47 ASP- HB3 3.7 10470
 HN 48 ALA HN 3.7 10400
 HN 48 ALA QB 5 2776
 HN 49 CYSS HN 5.1 1139
 HA 47 ASP- HB2 3.5 13430
 HA 47 ASP- HB3 3.7 9817
 HA 48 ALA HN 4.3 3859
 HA 49 CYSS HN 5.9 468.5
 HA 51 THR QG2 5.4 8922
 HB2 48 ALA HN 4.6 2705
 HB2 48 ALA QB 6.7 3114
 HB3 48 ALA HN 4.6 2511
48 ALA HN 48 ALA HA 3.6 11530
 HN 48 ALA QB 3.5 27690
 HN 49 CYSS HN 3.6 11120
 HN 49 CYSS HA 6.5 251
 HN 50 LYS+ HN 5.3 878.2
 HA 48 ALA QB 3.5 34600
 HA 49 CYSS HN 4.5 3179
 HA 70 HEM HAM 5.9 373
 QB 49 CYSS HN 4.3 6287
 QB 49 CYSS HB3 7.5 960.8
 QB 50 LYS+ HN 7.3 201.7
 QB 69 HEM QM5 7.5 1768
 QB 70 HEM HT2A 6.6 3401
49 CYSS HN 49 CYSS HA 4.7 2372
 HN 49 CYSS HB2 4.6 2473
 HN 49 CYSS HB3 4.9 1784
 HN 50 LYS+ HN 4.1 5075
 HN 51 THR HN 4.7 1906
 HN 70 HEM HT2A 4.7 1564
 HN 70 HEM HAM 4.4 2253
 HA 49 CYSS HB2 4.5 3177
 HA 49 CYSS HB3 4.1 5109
 HA 50 LYS+ HN 5.6 775.8
 HA 51 THR HN 6.5 177
 HA 52 CYSS HN 6.5 157
 HA 70 HEM QM1 7.5 112.5
 HA 70 HEM HT2A 3.5 9119
 HA 70 HEM QT2 7.3 1993
 HA 70 HEM HAM 3.5 8645
 HA 70 HEM QM3 5.4 9435
 HA 71 HEM QT4 7.5 1293
 HB2 50 LYS+ HN 3.8 8243
 HB2 70 HEM QM1 7.5 336.7
 HB2 70 HEM HAM 4.9 1200
 HB2 71 HEM QT4 5 14050
 HB3 50 LYS+ HN 3.9 6796
 HB3 70 HEM HDM 6.1 316
 HB3 70 HEM QM1 7.5 458.7
 HB3 70 HEM HT2A 3.8 5230
 HB3 70 HEM HAM 4.8 1335
 HB3 71 HEM QT4 4.5 23310
 HB3 71 HEM HBM 4.2 2932
50 LYS+ HN 50 LYS+ HA 4.5 3214
 HN 50 LYS+ QG 6 2077
 HN 51 THR HN 4.5 2982
 HN 70 HEM HT2A 6.1 314
 HN 70 HEM HAM 6.5 211
 HN 71 HEM QT4 4.7 18850
 HA 50 LYS+ QG 4.6 6060
 HA 50 LYS+ QD 6 1976
 HA 51 THR HN 5.1 1460
 HA 51 THR HB 5.9 560
 HA 52 CYSS HN 6.3 322
 HA 53 HIS HN 5.2 1001
 HA 53 HIS HD1 5 1109
 HA 71 HEM QM3 7.5 629
 HA 71 HEM QT4 4.3 29820
 QG 71 HEM QM3 8.5 1699.5
 QD 71 HEM HAM 7.5 44.5
 QD 71 HEM QM3 8.5 1008.5
51 THR HN 51 THR HA 3.5 14430
 HN 51 THR HB 3.7 9706
 HN 51 THR QG2 5 13430
 HN 52 CYSS HN 4.3 4101
 HN 52 CYSS HA 6.1 475.8
 HN 52 CYSS HB2 5.6 803
 HN 53 HIS HN 5.7 539
 HN 54 LYS+ HN 5.7 549
 HN 54 LYS+ HD3 4.9 1173
 HN 70 HEM HAM 6.5 63
 HA 51 THR HB 4.1 5330
 HA 51 THR QG2 4.4 28710
 HA 52 CYSS HN 4.1 5363
 HA 52 CYSS HB3 6.5 268
 HB 51 THR QG2 4.4 30610
 HB 52 CYSS HN 4.8 2161
 HB 52 CYSS HB3 6.5 67.2
 HB 53 HIS HN 6.3 297
 QG2 52 CYSS HN 6.4 4047
 QG2 52 CYSS HA 6.6 3423
 QG2 52 CYSS HB2 7.3 2110
 QG2 54 LYS+ HN 7.5 932
52 CYSS HN 52 CYSS HA 4 5961
 HN 52 CYSS HB2 3.7 9918
 HN 52 CYSS HB3 3.8 8265
 HN 53 HIS HN 4.3 3890
 HN 70 HEM HAM 6.5 207
 HN 70 HEM QM3 7 2540
 HN 70 HEM HT4A 5.6 557
 HN 70 HEM QT4 7 2445
 HA 52 CYSS HB2 3.9 7136
 HA 52 CYSS HB3 4.1 5392
 HA 53 HIS HN 5.6 834.1
 HA 70 HEM QT4 7.3 1988
 HB2 70 HEM HAM 5.6 557
 HB2 70 HEM QM3 5.9 5978
 HB2 70 HEM HT4A 5.4 678.8
 HB2 70 HEM QT4 5.6 7701
 HB3 53 HIS HN 4.5 3194
 HB3 53 HIS HD1 6.5 57.9
 HB3 70 HEM HAM 5.3 764
 HB3 70 HEM QM3 6.2 4747
 HB3 70 HEM QT4 5.5 8665
53 HIS HN 53 HIS HA 5 1621
 HN 53 HIS QB 5.6 1598
 HN 53 HIS HD1 5.6 1174
 HN 53 HIS HE1 6.3 635.9
 HN 54 LYS+ HN 4.9 1745
 HN 54 LYS+ HB3 6.2 439.3
 HN 54 LYS+ HG3 5.1 983
 HN 70 HEM QT4 7.5 468
 HA 53 HIS QB 5.9 1831
 HA 54 LYS+ HN 4.8 2157
 QB 53 HIS HD1 5.9 2185
 HD1 53 HIS HE1 5.6 1209
 HD1 71 HEM QM3 7.5 424.1
 HD1 71 HEM QT4 4.9 15000
54 LYS+ HN 54 LYS+ HA 4.7 2200
 HN 54 LYS+ HB2 4 5899
 HN 54 LYS+ HB3 4.1 5637
 HN 54 LYS+ HG2 4 6386
 HN 54 LYS+ HG3 4.8 2481
 HN 54 LYS+ HD2 3.8 8398
 HN 54 LYS+ QE 6.7 1074
 HN 55 SER HN 4.1 5304
 HA 54 LYS+ HB2 3.8 7765
 HA 54 LYS+ HB3 4.1 5142
 HA 54 LYS+ HG2 3.6 10290
 HA 54 LYS+ HG3 3.3 17400
 HA 54 LYS+ HD2 4.7 2700
 HA 54 LYS+ HD3 4.3 4685
 HA 55 SER HN 4.6 2612
 HA 56 ASN HN 5.1 1090
 HB2 54 LYS+ HG2 3.3 17320
 HB2 54 LYS+ HG3 4.1 5539
 HB2 54 LYS+ HD2 2.8 39940
 HB2 54 LYS+ HD3 3.1 25230
 HB2 54 LYS+ QE 6.5 1332
 HB2 55 SER HN 5.2 1316
 HB3 54 LYS+ HG2 2.7 46500
 HB3 54 LYS+ HG3 3.3 17090
 HB3 54 LYS+ QE 6.5 1304
 HB3 55 SER HN 4.7 2324
 HG2 54 LYS+ HD2 2.7 49820
 HG2 54 LYS+ HD3 2.6 62650
 HG2 54 LYS+ QE 7.4 596
 HG3 54 LYS+ HD2 3.8 8426
 HG3 54 LYS+ HD3 3.6 11450
 HG3 54 LYS+ QE 7.5 233
 HD2 54 LYS+ QE 6.4 1457.5
 HD3 54 LYS+ QE 5.2 4864.5
55 SER HN 55 SER HA 4.5 3033
 HN 55 SER HB2 4.2 4421
 HN 55 SER HB3 4.4 3374
 HN 56 ASN HN 3.6 11830
 HA 55 SER HB2 4.1 5168
 HA 55 SER HB3 3.7 9268
 HA 56 ASN HN 4.7 2174
 HB2 56 ASN HN 5.6 835.5
 HB2 56 ASN HD22 6.1 303.6
 HB3 56 ASN HN 6.1 497
 HB3 56 ASN QB 6 1016
56 ASN HN 56 ASN HA 4.3 3763
 HN 56 ASN QB 5.7 1376.5
 HN 56 ASN HD22 6.5 129.8
 HN 57 ASN HN 5.2 1212
 HA 56 ASN QB 4.5 7670
 HA 56 ASN HD22 5.1 1952
 HA 57 ASN HN 4 5707
 HB2 56 ASN HD21 4.7 2723
 HB2 56 ASN HD22 4.4 3947
 QB 56 ASN HD21 6.6 1194.5
 QB 56 ASN HD22 5.5 3420
 QB 57 ASN HN 5.1 5110
 QB 70 HEM QM5 6.9 5730
 QB 70 HEM HA62 6.1 991
 HD21 70 HEM HBM 4.2 2970
 HD21 70 HEM QM5 6.5 3736
 HD22 57 ASN HN 4.7 1573
 HD22 70 HEM HBM 4.2 3274
 HD22 70 HEM QM5 5.4 9472
57 ASN HN 57 ASN HA 3.5 12850
 HN 57 ASN HB2 3.7 10080
 HB2 57 ASN HD21 5.2 1714
 HB2 57 ASN HD22 4 6292
 HB3 57 ASN HD21 5.8 974
59 PRO HA 60 THR HN 4 6329
 HA 60 THR QG2 4.5 24720
 HA 61 LYS+ HN 4.4 2792
60 THR HN 60 THR HA 3.2 23570
 HN 60 THR QG2 5.6 6644
 HN 61 LYS+ HN 3.3 18500
 HN 61 LYS+ QG 5.3 2569.5
 HN 62 CYSS HN 4.6 2142
 HN 71 HEM QM3 7.5 850.3
 HA 60 THR QG2 6.5 2778
 HA 61 LYS+ HN 4.2 4332
 QG2 61 LYS+ HN 7.5 1365
61 LYS+ HN 61 LYS+ HA 4.7 2237
 HN 61 LYS+ QB 4.3 9265
 HN 61 LYS+ QG 5.5 3518
 HN 61 LYS+ QD 5 6170
 HA 61 LYS+ QB 6.2 1314.5
 HA 61 LYS+ QD 5.8 2485
 HA 62 CYSS HN 3.7 23150
 HA 71 HEM HT2A 6.1 332.8
 QB 61 LYS+ QD 5.7 9332.5
 QB 62 CYSS HN 5.5 3192.5
 QG 61 LYS+ QD 7.7 1057.8
 QG 62 CYSS HN 6.7 460.1
 QD 62 CYSS HN 5.5 1907
62 CYSS HN 62 CYSS HA 4.2 4682
 HN 62 CYSS HB2 4 6141
 HN 62 CYSS HB3 4.4 3449
 HN 63 GLY HN 4.6 2694
 HN 71 HEM HT2A 3.9 4749
 HN 71 HEM QT2 6.3 4320
 HN 71 HEM QM3 6.1 4955
 HA 62 CYSS HB2 5 1668
 HA 62 CYSS HB3 3.9 7315
 HA 63 GLY HN 4.9 1900
 HA 64 GLY HN 6 431
 HA 65 CYSS HN 6.5 110
 HA 71 HEM HT2A 3.6 7940
 HA 71 HEM QT2 7.5 255.6
 HA 71 HEM HAM 3.3 13940
 HA 71 HEM QM3 6.6 3328
 HB2 63 GLY HN 4 6468
 HB2 71 HEM HT2A 4.8 1375
 HB2 71 HEM HAM 4 4153
 HB2 71 HEM QM3 4 41280
 HB3 63 GLY HN 4.4 3595
 HB3 63 GLY HA2 5.6 760.9
 HB3 71 HEM QM1 7.5 644.4
 HB3 71 HEM HT2A 4.3 2752
 HB3 71 HEM HAM 4.5 2043
63 GLY HN 63 GLY HA1 3.6 11790
 HN 63 GLY HA2 3.3 20380
 HN 64 GLY HN 3.7 10160
 HN 64 GLY HA1 5.9 555.7
 HN 65 CYSS HN 5.4 825.3
 HN 66 HIS HN 6.5 95
 HN 68 LYS+ HN 5.8 925
 HN 71 HEM HT2A 4.8 1437
 HN 71 HEM HAM 3.9 4531
 HA1 66 HIS HN 4.6 2090
 HA2 64 GLY HN 4.9 1852
64 GLY HN 64 GLY HA1 3.7 10120
 HN 64 GLY HA2 3.7 9722
 HN 65 CYSS HN 4.1 5543
 HN 65 CYSS HB2 6.5 239.7
 HN 66 HIS HN 4.8 1604
 HN 71 HEM HAM 5.5 602.7
 HN 71 HEM QM3 7.5 659.7
 HA1 65 CYSS HN 4.3 4127
 HA2 65 CYSS HN 4.8 2139
 HA2 71 HEM HAM 5 1045
65 CYSS HN 65 CYSS HA 4.7 2200
 HN 65 CYSS HB2 4.1 5026
 HN 65 CYSS HB3 4.1 5360
 HN 66 HIS HN 4.1 5486
 HN 66 HIS HA 6.5 269
 HN 66 HIS HB2 5.8 625
 HN 67 ILE QG1 7 354
 HN 71 HEM QM3 7.3 2001
 HN 71 HEM HBM 6.1 307
 HA 65 CYSS HB2 4.2 4798
 HA 65 CYSS HB3 4.3 4238
 HA 66 HIS HN 5.8 638.1
 HA 70 HEM QM8 6.3 4296
 HB2 66 HIS HN 4.9 1860
 HB2 70 HEM QM1 7.5 524
 HB2 71 HEM QM3 7.5 447.9
 HB2 71 HEM HT4A 4.2 3242
 HB2 71 HEM HBM 4.1 3339
 HB3 66 HIS HN 3.5 14450
 HB3 71 HEM QM3 5.6 7545
 HB3 71 HEM HT4A 4.2 3246
66 HIS HN 66 HIS HA 4.8 2160
 HN 66 HIS HB2 4.5 3207
 HN 66 HIS HB3 4.7 2313
 HN 66 HIS QB 5.9 1083
 HN 66 HIS HD1 6.5 239
 HN 67 ILE HN 4.8 2160
 HN 71 HEM QM3 7.5 355.6
 HA 66 HIS HB2 3.8 8713
 HA 66 HIS QB 5.3 3875.5
 HA 66 HIS HD1 4.4 4120
 HA 67 ILE HN 3.5 14580
 HA 67 ILE HA 6.5 207.4
 HA 67 ILE HB 6.2 438.3
 HB2 66 HIS HD1 4.9 2216
 HB3 66 HIS HD1 4.8 2414
 QB 66 HIS HD1 5.7 2767
 HD1 66 HIS HE1 3.6 11210
 HD1 67 ILE HN 6.5 220.6
 HE1 71 HEM HGM 3.8 5515
67 ILE HN 67 ILE HA 4.3 4060
 HN 67 ILE HB 3.8 9058
 HN 67 ILE QG2 5.5 7611
 HN 67 ILE QG1 6.6 1131.5
 HN 67 ILE QD1 5.8 5858
 HN 68 LYS+ HN 5.1 1391
 HA 67 ILE HB 3.6 10780
 HA 67 ILE QG2 4.5 28190
 HA 67 ILE QG1 5.6 2035.5
 HA 67 ILE QD1 4.9 15780
 HA 68 LYS+ HN 3 37160
 HB 67 ILE QG2 4.1 47580
 HB 67 ILE QG1 4.7 9520
 HB 67 ILE QD1 4.7 20910
 HB 68 LYS+ HN 4.6 2496
 QG2 67 ILE QG1 5.3 34760
 QG2 68 LYS+ HN 4.9 15100
 QG1 67 ILE QD1 5.7 20025
 QG1 68 LYS+ HN 5.6 1746.5
 QD1 68 LYS+ HN 6.1 5267
68 LYS+ HN 68 LYS+ HA 2.9 41360
 HN 68 LYS+ QB 4.7 5625
 HN 68 LYS+ QG 5.4 4161
 HN 68 LYS+ QD 5.6 3312
 HA 68 LYS+ QB 5.3 4200
 HA 68 LYS+ QG 4.6 6165
 HA 68 LYS+ QD 5.9 2311
 QB 68 LYS+ QG 5.6 10585
 QB 68 LYS+ QE 6 6562.5
 QG 68 LYS+ QD 6.5 3690
 QG 68 LYS+ QE 6.5 3462.5
 QD 68 LYS+ QE 7.3 1543.5
69 HEM QM8 69 HEM HDM 4.4 29530
 QM8 69 HEM QM1 6.1 4284
 HDM 69 HEM QM1 4.4 31660
 HDM 69 HEM QT2 6.3 3515
 QM1 69 HEM HT2A 7.5 902.4
 QM1 69 HEM QT2 4.8 17800
 HT2A 69 HEM QT2 5.1 12700
 HT2A 69 HEM HAM 2.7 45110
 QT2 69 HEM HAM 5.2 10740
 HAM 69 HEM QM3 4.8 17040
 QM3 69 HEM HT4A 7.5 1208
 QM3 69 HEM QT4 4.6 22900
 HT4A 69 HEM QT4 4.5 27620
 HT4A 69 HEM HBM 2.9 33020
 HT4A 69 HEM QM5 5.3 9479
 HT4A 70 HEM HAM 4.5 1875
 HT4A 70 HEM QM3 7.5 545.3
 QT4 69 HEM HBM 5.5 8219
 QT4 69 HEM QM5 7.1 1663
 QT4 70 HEM HAM 6.5 3729
 QT4 70 HEM QM3 5.6 7965
 QT4 70 HEM QT4 6 5489
 HBM 69 HEM QM5 4.7 19910
 HBM 70 HEM HAM 5.9 403
 QM5 69 HEM HA61 7.3 1429
 QM5 69 HEM HA62 7.5 1093
 QM5 70 HEM QT2 5.3 10200
 QM5 70 HEM HAM 7.5 985.9
 HGM 69 HEM HA61 3.4 14070
 HGM 69 HEM HA62 3.5 12990
70 HEM HA71 70 HEM HB73 3.5 12690
 HA71 70 HEM QM8 7 1819
 HA71 70 HEM HGM 3.8 8053
 HA72 70 HEM HB73 3.7 9381
 HA72 70 HEM HGM 4.2 4827
 HB73 70 HEM HB74 3.3 18290
 HB73 70 HEM QM8 4.6 22890
 HB73 70 HEM HGM 3.8 8845
 HB74 70 HEM HGM 5.2 1665
 QM8 70 HEM HDM 5.1 12070
 QM8 70 HEM QM1 5.9 5160
 HDM 70 HEM QM1 5.2 10410
 HDM 70 HEM QT2 6.5 2801
 HDM 71 HEM HT4A 5.5 598.8
 HDM 71 HEM QT4 7.5 1045
 HDM 71 HEM HBM 5.3 743
 HDM 71 HEM QM5 7.5 686
 QM1 70 HEM HT2A 7.5 285.6
 QM1 70 HEM QT2 4.4 29730
 QM1 71 HEM HT4A 5.8 6391
 QM1 71 HEM QT4 5.6 7466
 QM1 71 HEM HBM 6.2 4721
 QM1 71 HEM QM5 6.2 4657
 HT2A 70 HEM QT2 4.8 18340
 HT2A 70 HEM HAM 3.1 23850
 HT2A 70 HEM QM3 5 14680
 QT2 70 HEM HAM 5.7 6313
 QT2 71 HEM HBM 7.3 2097
 QT2 71 HEM QM5 7.5 1750
 HAM 70 HEM QM3 5.3 10220
 HAM 70 HEM QT4 7.5 1113
 QM3 70 HEM HT4A 7.5 1167
 QM3 70 HEM QT4 4.3 32410
 HT4A 70 HEM QT4 4.4 31150
 HT4A 70 HEM HBM 2.9 32490
 HT4A 70 HEM QM5 5.6 7131
 QT4 70 HEM HBM 5.2 10470
 QT4 70 HEM QM5 5.5 7843
 HBM 70 HEM QM5 4.7 21010
 QM5 70 HEM HA61 7.5 1113
 QM5 70 HEM HA62 6.4 3010
 HGM 70 HEM HA61 3.5 13260
71 HEM QAP7 71 HEM QBP7 4.6 3168
 QAP7 71 HEM QM8 6.2 3637
 QAP7 71 HEM HGM 3.3 16790
 QBP7 71 HEM QM8 6 4701
 QBP7 71 HEM HGM 5.9 910.9
 QM8 71 HEM HDM 4.5 28150
 QM8 71 HEM HGM 7.5 258.7
 HDM 71 HEM QM1 4.5 27910
 QM1 71 HEM HT2A 6.9 2042
 QM1 71 HEM QT2 4.6 24060
 HT2A 71 HEM QT2 4.8 17000
 HT2A 71 HEM HAM 2.9 30730
 HT2A 71 HEM QM3 5.7 6322
 QT2 71 HEM HAM 5.2 11090
 QT2 71 HEM QM3 6.6 2582
 HAM 71 HEM QM3 4.7 21550
 QM3 71 HEM HT4A 7.5 610.6
 QM3 71 HEM QT4 4.5 28180
 HT4A 71 HEM QT4 4.7 20220
 HT4A 71 HEM HBM 2.8 38200
 HT4A 71 HEM QM5 5.6 7300
 QT4 71 HEM HBM 5.1 12720
 QT4 71 HEM QM5 7.5 778.9
 HBM 71 HEM QM5 4.7 21140
 QM5 71 HEM HA61 6.6 2498
 QM5 71 HEM HA62 6 4518
 QM5 71 HEM QBP6 6.5 2793
 HGM 71 HEM HA61 4 6495
 HGM 71 HEM HA62 4.8 2523
 HGM 71 HEM QBP6 4.8 2525
 HA61 71 HEM HA62 4.5 3381
 HA61 71 HEM QBP6 3.8 8634




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1   8.998   3.884  -5.533
    2   2H    ALA   1          2H        ALA   1   9.730   5.350  -5.268
    3   3H    ALA   1          3H        ALA   1   8.268   5.300  -5.998
    4    HA   ALA   1           HA       ALA   1  10.082   5.808  -7.469
    5   1HB   ALA   1          1HB       ALA   1  11.704   4.011  -8.034
    6   2HB   ALA   1          2HB       ALA   1  11.844   4.570  -6.358
    7   3HB   ALA   1          3HB       ALA   1  11.057   3.020  -6.704
    8    H    ASP   2           H        ASP   2   9.906   2.374  -8.346
    9    HA   ASP   2           HA       ASP   2   7.361   2.769  -9.653
   10   1HB   ASP   2          1HB       ASP   2   8.384   1.084 -11.308
   11   2HB   ASP   2          2HB       ASP   2   9.162   2.685 -11.297
   12    H    VAL   3           H        VAL   3   9.571   0.389  -8.175
   13    HA   VAL   3           HA       VAL   3   7.238  -0.635  -6.656
   14    HB   VAL   3           HB       VAL   3   8.220  -2.964  -6.810
   15   1HG1  VAL   3          1HG1      VAL   3   6.136  -2.296  -7.979
   16   2HG1  VAL   3          2HG1      VAL   3   7.089  -1.877  -9.420
   17   3HG1  VAL   3          3HG1      VAL   3   7.037  -3.552  -8.843
   18   1HG2  VAL   3          1HG2      VAL   3   9.611  -1.889  -9.313
   19   2HG2  VAL   3          2HG2      VAL   3  10.432  -2.376  -7.816
   20   3HG2  VAL   3          3HG2      VAL   3   9.547  -3.574  -8.774
   21    H    VAL   4           H        VAL   4   7.773  -1.167  -4.526
   22    HA   VAL   4           HA       VAL   4  10.613  -1.215  -3.711
   23    HB   VAL   4           HB       VAL   4   8.490   0.582  -2.532
   24   1HG1  VAL   4          1HG1      VAL   4  10.193   1.104  -0.735
   25   2HG1  VAL   4          2HG1      VAL   4   9.584  -0.542  -0.609
   26   3HG1  VAL   4          3HG1      VAL   4  11.179  -0.244  -1.324
   27   1HG2  VAL   4          1HG2      VAL   4  10.223   2.320  -2.744
   28   2HG2  VAL   4          2HG2      VAL   4  11.297   1.137  -3.524
   29   3HG2  VAL   4          3HG2      VAL   4   9.776   1.629  -4.311
   30    H    THR   5           H        THR   5  10.733  -2.304  -1.575
   31    HA   THR   5           HA       THR   5   8.214  -3.447  -0.765
   32    HB   THR   5           HB       THR   5   9.352  -5.367  -1.831
   33    HG1  THR   5           HG1      THR   5   8.385  -5.250   0.461
   34   1HG2  THR   5          1HG2      THR   5  11.464  -6.264  -1.001
   35   2HG2  THR   5          2HG2      THR   5  11.722  -4.626  -1.629
   36   3HG2  THR   5          3HG2      THR   5  11.650  -4.910   0.125
   37    H    TYR   6           H        TYR   6   7.760  -3.388   1.293
   38    HA   TYR   6           HA       TYR   6   9.742  -2.286   3.210
   39   1HB   TYR   6          1HB       TYR   6   6.816  -2.998   3.536
   40   2HB   TYR   6          2HB       TYR   6   7.884  -2.453   4.829
   41    HD1  TYR   6           HD1      TYR   6   5.320  -1.310   2.873
   42    HD2  TYR   6           HD2      TYR   6   9.363  -0.206   3.906
   43    HE1  TYR   6           HE1      TYR   6   4.896   1.008   2.144
   44    HE2  TYR   6           HE2      TYR   6   8.934   2.077   3.112
   45    HH   TYR   6           HH       TYR   6   7.353   3.586   2.470
   46    H    GLU   7           H        GLU   7  11.215  -3.851   3.572
   47    HA   GLU   7           HA       GLU   7  10.456  -6.610   3.833
   48   1HB   GLU   7          1HB       GLU   7  12.788  -6.896   4.722
   49   2HB   GLU   7          2HB       GLU   7  12.679  -6.226   3.089
   50   1HG   GLU   7          1HG       GLU   7  13.165  -3.967   3.938
   51   2HG   GLU   7          2HG       GLU   7  13.176  -4.577   5.603
   52    H    ASN   8           H        ASN   8   9.905  -7.756   5.649
   53    HA   ASN   8           HA       ASN   8  10.282  -6.654   8.313
   54   1HB   ASN   8          1HB       ASN   8   7.787  -6.953   8.843
   55   2HB   ASN   8          2HB       ASN   8   8.267  -5.529   7.915
   56   1HD2  ASN   8          1HD2      ASN   8   6.694  -5.087   6.546
   57   2HD2  ASN   8          2HD2      ASN   8   5.918  -6.209   5.422
   58    H    LYS   9           H        LYS   9   9.921  -8.226   9.929
   59    HA   LYS   9           HA       LYS   9  10.905 -10.754   9.263
   60   1HB   LYS   9          1HB       LYS   9  11.019  -9.634  11.495
   61   2HB   LYS   9          2HB       LYS   9   9.309  -9.985  11.756
   62   1HG   LYS   9          1HG       LYS   9  10.746 -12.424  10.958
   63   2HG   LYS   9          2HG       LYS   9  11.601 -11.616  12.265
   64   1HD   LYS   9          1HD       LYS   9  10.141 -13.188  13.255
   65   2HD   LYS   9          2HD       LYS   9   9.490 -11.579  13.614
   66   1HE   LYS   9          1HE       LYS   9   7.779 -11.849  11.848
   67   2HE   LYS   9          2HE       LYS   9   8.509 -13.387  11.335
   68   1HZ   LYS   9          1HZ       LYS   9   7.224 -12.866  13.928
   69   2HZ   LYS   9          2HZ       LYS   9   6.591 -13.722  12.676
   70   3HZ   LYS   9          3HZ       LYS   9   7.910 -14.296  13.468
   71    H    LYS  10           H        LYS  10   7.595  -9.659   9.779
   72    HA   LYS  10           HA       LYS  10   5.912 -11.925   9.537
   73   1HB   LYS  10          1HB       LYS  10   4.852 -10.003   9.896
   74   2HB   LYS  10          2HB       LYS  10   5.826  -9.055   8.777
   75   1HG   LYS  10          1HG       LYS  10   3.477  -9.436   8.058
   76   2HG   LYS  10          2HG       LYS  10   4.755  -9.823   6.916
   77   1HD   LYS  10          1HD       LYS  10   3.971 -11.949   6.642
   78   2HD   LYS  10          2HD       LYS  10   4.243 -12.286   8.342
   79   1HE   LYS  10          1HE       LYS  10   2.201 -12.820   8.230
   80   2HE   LYS  10          2HE       LYS  10   2.113 -11.178   8.871
   81   1HZ   LYS  10          1HZ       LYS  10   1.559 -10.433   6.593
   82   2HZ   LYS  10          2HZ       LYS  10   1.782 -11.968   6.003
   83   3HZ   LYS  10          3HZ       LYS  10   0.500 -11.639   6.987
   84    H    GLY  11           H        GLY  11   7.251  -9.978   6.765
   85   1HA   GLY  11          1HA       GLY  11   7.399 -12.021   4.793
   86   2HA   GLY  11          2HA       GLY  11   5.691 -11.604   5.144
   87    H    ASN  12           H        ASN  12   8.666 -10.367   3.972
   88    HA   ASN  12           HA       ASN  12   8.409  -7.721   3.745
   89   1HB   ASN  12          1HB       ASN  12   9.162  -9.180   1.176
   90   2HB   ASN  12          2HB       ASN  12   9.975  -7.807   1.911
   91   1HD2  ASN  12          1HD2      ASN  12  11.386  -8.349   3.893
   92   2HD2  ASN  12          2HD2      ASN  12  11.913  -9.996   4.114
   93    H    VAL  13           H        VAL  13   7.021  -6.249   2.933
   94    HA   VAL  13           HA       VAL  13   4.770  -7.174   1.200
   95    HB   VAL  13           HB       VAL  13   5.286  -4.566   2.696
   96   1HG1  VAL  13          1HG1      VAL  13   3.099  -5.435   0.763
   97   2HG1  VAL  13          2HG1      VAL  13   2.811  -4.212   2.003
   98   3HG1  VAL  13          3HG1      VAL  13   4.047  -3.927   0.770
   99   1HG2  VAL  13          1HG2      VAL  13   3.155  -6.687   3.109
  100   2HG2  VAL  13          2HG2      VAL  13   4.687  -6.597   4.015
  101   3HG2  VAL  13          3HG2      VAL  13   3.523  -5.283   4.136
  102    H    THR  14           H        THR  14   5.298  -7.138  -0.922
  103    HA   THR  14           HA       THR  14   7.064  -5.013  -2.027
  104    HB   THR  14           HB       THR  14   5.590  -7.304  -3.384
  105    HG1  THR  14           HG1      THR  14   7.430  -7.729  -1.902
  106   1HG2  THR  14          1HG2      THR  14   7.697  -5.336  -4.406
  107   2HG2  THR  14          2HG2      THR  14   7.101  -6.756  -5.289
  108   3HG2  THR  14          3HG2      THR  14   6.000  -5.415  -4.931
  109    H    PHE  15           H        PHE  15   6.111  -3.108  -2.680
  110    HA   PHE  15           HA       PHE  15   3.142  -3.134  -3.075
  111   1HB   PHE  15          1HB       PHE  15   3.031  -0.896  -2.183
  112   2HB   PHE  15          2HB       PHE  15   3.520  -2.086  -0.982
  113    HD1  PHE  15           HD1      PHE  15   4.514   0.948  -2.755
  114    HD2  PHE  15           HD2      PHE  15   5.838  -2.225  -0.146
  115    HE1  PHE  15           HE1      PHE  15   6.309   2.415  -1.866
  116    HE2  PHE  15           HE2      PHE  15   7.647  -0.753   0.703
  117    HZ   PHE  15           HZ       PHE  15   7.828   1.556  -0.069
  118    H    ASP  16           H        ASP  16   2.719  -2.877  -5.113
  119    HA   ASP  16           HA       ASP  16   3.831  -1.649  -7.237
  120   1HB   ASP  16          1HB       ASP  16   1.103  -1.294  -5.934
  121   2HB   ASP  16          2HB       ASP  16   1.468  -0.859  -7.605
  122    H    HIS  17           H        HIS  17   4.656   0.372  -7.646
  123    HA   HIS  17           HA       HIS  17   3.475   2.699  -6.168
  124   1HB   HIS  17          1HB       HIS  17   5.817   2.251  -5.507
  125   2HB   HIS  17          2HB       HIS  17   6.336   2.433  -7.177
  126    HD1  HIS  17           HND      HIS  17   6.414   4.923  -8.176
  127    HD2  HIS  17           HD       HIS  17   4.892   4.488  -4.279
  128    HE1  HIS  17           HE       HIS  17   6.068   7.266  -7.257
  129    H    LYS  18           H        LYS  18   5.332   1.931  -9.104
  130    HA   LYS  18           HA       LYS  18   4.396   3.846 -10.857
  131   1HB   LYS  18          1HB       LYS  18   6.263   2.207 -11.200
  132   2HB   LYS  18          2HB       LYS  18   5.152   0.925 -11.535
  133   1HG   LYS  18          1HG       LYS  18   4.384   2.281 -13.518
  134   2HG   LYS  18          2HG       LYS  18   5.421   3.581 -12.877
  135   1HD   LYS  18          1HD       LYS  18   7.415   1.979 -13.105
  136   2HD   LYS  18          2HD       LYS  18   6.318   0.848 -13.900
  137   1HE   LYS  18          1HE       LYS  18   7.504   1.980 -15.637
  138   2HE   LYS  18          2HE       LYS  18   5.865   2.652 -15.650
  139   1HZ   LYS  18          1HZ       LYS  18   8.238   3.879 -14.383
  140   2HZ   LYS  18          2HZ       LYS  18   7.563   4.351 -15.806
  141   3HZ   LYS  18          3HZ       LYS  18   6.729   4.536 -14.402
  142    H    ALA  19           H        ALA  19   3.348   0.499 -10.847
  143    HA   ALA  19           HA       ALA  19   1.067   0.455 -12.370
  144   1HB   ALA  19          1HB       ALA  19   1.981  -1.531 -11.333
  145   2HB   ALA  19          2HB       ALA  19   1.618  -0.864  -9.727
  146   3HB   ALA  19          3HB       ALA  19   0.286  -1.351 -10.801
  147    H    HIS  20           H        HIS  20   1.024   1.057  -8.788
  148    HA   HIS  20           HA       HIS  20  -1.776   1.658  -8.717
  149   1HB   HIS  20          1HB       HIS  20   0.563   2.110  -6.835
  150   2HB   HIS  20          2HB       HIS  20  -1.007   2.824  -6.506
  151    HD1  HIS  20           HND      HIS  20  -0.755  -0.645  -8.063
  152    HD2  HIS  20           HD       HIS  20  -1.740   1.235  -4.437
  153    HE1  HIS  20           HE       HIS  20  -1.911  -2.374  -6.633
  154    H    ALA  21           H        ALA  21   1.100   3.588  -9.373
  155    HA   ALA  21           HA       ALA  21  -0.236   6.142  -9.222
  156   1HB   ALA  21          1HB       ALA  21   2.244   5.789  -9.188
  157   2HB   ALA  21          2HB       ALA  21   2.197   5.503 -10.927
  158   3HB   ALA  21          3HB       ALA  21   1.668   7.064 -10.292
  159    H    GLU  22           H        GLU  22   0.361   3.946 -11.988
  160    HA   GLU  22           HA       GLU  22  -0.939   5.739 -13.870
  161   1HB   GLU  22          1HB       GLU  22  -0.890   3.858 -15.471
  162   2HB   GLU  22          2HB       GLU  22   0.694   4.335 -14.848
  163   1HG   GLU  22          1HG       GLU  22   0.856   2.378 -13.510
  164   2HG   GLU  22          2HG       GLU  22  -0.846   1.945 -13.770
  165    H    LYS  23           H        LYS  23  -2.018   2.778 -12.151
  166    HA   LYS  23           HA       LYS  23  -4.561   2.708 -13.515
  167   1HB   LYS  23          1HB       LYS  23  -3.827   1.528 -10.804
  168   2HB   LYS  23          2HB       LYS  23  -5.217   1.111 -11.805
  169   1HG   LYS  23          1HG       LYS  23  -2.296   0.520 -12.360
  170   2HG   LYS  23          2HG       LYS  23  -3.593  -0.616 -12.003
  171   1HD   LYS  23          1HD       LYS  23  -4.650   0.087 -14.215
  172   2HD   LYS  23          2HD       LYS  23  -3.184   1.067 -14.502
  173   1HE   LYS  23          1HE       LYS  23  -1.933  -1.218 -13.884
  174   2HE   LYS  23          2HE       LYS  23  -3.476  -1.953 -14.333
  175   1HZ   LYS  23          1HZ       LYS  23  -1.937  -1.809 -16.177
  176   2HZ   LYS  23          2HZ       LYS  23  -3.189  -0.777 -16.495
  177   3HZ   LYS  23          3HZ       LYS  23  -1.734  -0.203 -15.965
  178    H    LEU  24           H        LEU  24  -3.456   4.094 -10.392
  179    HA   LEU  24           HA       LEU  24  -6.235   4.852  -9.758
  180   1HB   LEU  24          1HB       LEU  24  -3.823   5.246  -8.007
  181   2HB   LEU  24          2HB       LEU  24  -5.519   5.112  -7.552
  182    HG   LEU  24           HG       LEU  24  -3.923   2.786  -8.756
  183   1HD1  LEU  24          1HD1      LEU  24  -4.551   3.183  -5.836
  184   2HD1  LEU  24          2HD1      LEU  24  -3.615   1.902  -6.605
  185   3HD1  LEU  24          3HD1      LEU  24  -3.015   3.579  -6.580
  186   1HD2  LEU  24          1HD2      LEU  24  -6.642   2.878  -7.448
  187   2HD2  LEU  24          2HD2      LEU  24  -6.266   2.500  -9.140
  188   3HD2  LEU  24          3HD2      LEU  24  -5.715   1.415  -7.850
  189    H    GLY  25           H        GLY  25  -2.956   6.477 -10.108
  190   1HA   GLY  25          1HA       GLY  25  -3.331   8.479 -11.595
  191   2HA   GLY  25          2HA       GLY  25  -4.323   9.116 -10.267
  192    H    CYS  26           H        CYS  26  -3.348   9.203  -8.153
  193    HA   CYS  26           HA       CYS  26  -0.606   9.023  -7.511
  194   1HB   CYS  26          1HB       CYS  26  -0.669  11.019  -9.398
  195   2HB   CYS  26          2HB       CYS  26  -1.168  11.949  -8.008
  196    H    ASP  27           H        ASP  27  -3.364  10.983  -7.409
  197    HA   ASP  27           HA       ASP  27  -3.728  12.238  -4.962
  198   1HB   ASP  27          1HB       ASP  27  -6.106  11.842  -5.530
  199   2HB   ASP  27          2HB       ASP  27  -5.191  12.461  -6.906
  200    H    ALA  28           H        ALA  28  -4.364   8.961  -6.003
  201    HA   ALA  28           HA       ALA  28  -5.427   7.523  -4.045
  202   1HB   ALA  28          1HB       ALA  28  -3.731   5.704  -4.641
  203   2HB   ALA  28          2HB       ALA  28  -4.506   6.516  -6.025
  204   3HB   ALA  28          3HB       ALA  28  -2.850   6.939  -5.554
  205    H    CYS  29           H        CYS  29  -2.050   8.623  -3.931
  206    HA   CYS  29           HA       CYS  29  -1.910   7.980  -0.997
  207   1HB   CYS  29          1HB       CYS  29   0.251   7.578  -3.028
  208   2HB   CYS  29          2HB       CYS  29   0.283   7.085  -1.323
  209    H    HIS  30           H        HIS  30  -0.980  10.228  -3.619
  210    HA   HIS  30           HA       HIS  30   0.263  12.024  -1.578
  211   1HB   HIS  30          1HB       HIS  30   1.114  11.664  -4.463
  212   2HB   HIS  30          2HB       HIS  30   1.826  12.759  -3.295
  213    HD1  HIS  30           HND      HIS  30   3.454  11.564  -1.463
  214    HD2  HIS  30           HD       HIS  30   2.088   9.345  -4.714
  215    HE1  HIS  30           HE       HIS  30   5.194   9.635  -1.908
  216    H    GLU  31           H        GLU  31  -1.007  13.777  -1.456
  217    HA   GLU  31           HA       GLU  31  -2.934  14.455  -3.558
  218   1HB   GLU  31          1HB       GLU  31  -2.175  16.132  -1.080
  219   2HB   GLU  31          2HB       GLU  31  -3.600  16.257  -2.120
  220   1HG   GLU  31          1HG       GLU  31  -4.062  13.874  -1.524
  221   2HG   GLU  31          2HG       GLU  31  -2.841  13.974  -0.248
  222    H    GLY  32           H        GLY  32  -0.398  16.210  -1.975
  223   1HA   GLY  32          1HA       GLY  32   0.053  18.029  -4.301
  224   2HA   GLY  32          2HA       GLY  32   0.575  18.278  -2.627
  225    H    THR  33           H        THR  33   2.721  18.573  -3.057
  226    HA   THR  33           HA       THR  33   4.189  17.079  -4.960
  227    HB   THR  33           HB       THR  33   4.780  19.332  -4.274
  228    HG1  THR  33           HG1      THR  33   7.062  18.857  -4.148
  229   1HG2  THR  33          1HG2      THR  33   5.997  18.155  -1.741
  230   2HG2  THR  33          2HG2      THR  33   5.991  19.846  -2.259
  231   3HG2  THR  33          3HG2      THR  33   4.476  19.070  -1.768
  232    HA   PRO  34           HA       PRO  34   4.969  13.533  -2.188
  233   1HB   PRO  34          1HB       PRO  34   6.129  11.842  -3.857
  234   2HB   PRO  34          2HB       PRO  34   4.397  12.240  -4.003
  235   1HG   PRO  34          1HG       PRO  34   6.609  13.397  -5.664
  236   2HG   PRO  34          2HG       PRO  34   4.991  12.786  -6.167
  237   1HD   PRO  34          1HD       PRO  34   5.592  15.458  -5.722
  238   2HD   PRO  34          2HD       PRO  34   3.953  14.757  -5.538
  239    H    ALA  35           H        ALA  35   7.078  12.191  -1.852
  240    HA   ALA  35           HA       ALA  35   9.641  13.420  -2.205
  241   1HB   ALA  35          1HB       ALA  35   8.259  13.954   0.467
  242   2HB   ALA  35          2HB       ALA  35   9.982  14.222   0.130
  243   3HB   ALA  35          3HB       ALA  35   8.760  15.182  -0.714
  244    H    LYS  36           H        LYS  36   7.490  11.386  -0.305
  245    HA   LYS  36           HA       LYS  36   8.620   8.955  -0.287
  246   1HB   LYS  36          1HB       LYS  36   9.732   8.751   1.893
  247   2HB   LYS  36          2HB       LYS  36  10.653   9.728   0.794
  248   1HG   LYS  36          1HG       LYS  36  10.853  11.104   2.571
  249   2HG   LYS  36          2HG       LYS  36   9.346  11.760   1.983
  250   1HD   LYS  36          1HD       LYS  36   9.139  11.521   4.328
  251   2HD   LYS  36          2HD       LYS  36   8.100  10.294   3.618
  252   1HE   LYS  36          1HE       LYS  36   9.949   8.582   4.041
  253   2HE   LYS  36          2HE       LYS  36  10.896   9.867   4.800
  254   1HZ   LYS  36          1HZ       LYS  36   9.141  10.061   6.449
  255   2HZ   LYS  36          2HZ       LYS  36   8.253   8.894   5.700
  256   3HZ   LYS  36          3HZ       LYS  36   9.696   8.514   6.381
  257    H    ILE  37           H        ILE  37   7.646   7.734   1.766
  258    HA   ILE  37           HA       ILE  37   5.724   9.425   3.230
  259    HB   ILE  37           HB       ILE  37   4.810   6.674   2.359
  260   1HG1  ILE  37          1HG1      ILE  37   4.218   9.344   1.037
  261   2HG1  ILE  37          2HG1      ILE  37   5.022   7.918   0.346
  262   1HG2  ILE  37          1HG2      ILE  37   3.872   7.710   4.446
  263   2HG2  ILE  37          2HG2      ILE  37   3.350   9.109   3.487
  264   3HG2  ILE  37          3HG2      ILE  37   2.652   7.509   3.189
  265   1HD1  ILE  37          1HD1      ILE  37   2.781   7.976  -0.509
  266   2HD1  ILE  37          2HD1      ILE  37   2.826   6.664   0.686
  267   3HD1  ILE  37          3HD1      ILE  37   2.086   8.227   1.095
  268    H    ALA  38           H        ALA  38   6.897   6.151   2.952
  269    HA   ALA  38           HA       ALA  38   7.736   4.617   4.403
  270   1HB   ALA  38          1HB       ALA  38   9.162   6.372   5.305
  271   2HB   ALA  38          2HB       ALA  38   7.930   6.705   6.568
  272   3HB   ALA  38          3HB       ALA  38   8.692   5.111   6.478
  273    H    ILE  39           H        ILE  39   5.721   3.715   4.028
  274    HA   ILE  39           HA       ILE  39   3.592   4.084   6.039
  275    HB   ILE  39           HB       ILE  39   3.876   2.556   3.443
  276   1HG1  ILE  39          1HG1      ILE  39   3.458   4.896   3.139
  277   2HG1  ILE  39          2HG1      ILE  39   2.014   3.967   2.750
  278   1HG2  ILE  39          1HG2      ILE  39   1.437   1.950   3.761
  279   2HG2  ILE  39          2HG2      ILE  39   2.634   1.049   4.688
  280   3HG2  ILE  39          3HG2      ILE  39   1.671   2.318   5.487
  281   1HD1  ILE  39          1HD1      ILE  39   2.491   5.768   5.141
  282   2HD1  ILE  39          2HD1      ILE  39   1.196   5.825   3.937
  283   3HD1  ILE  39          3HD1      ILE  39   1.214   4.539   5.154
  284    H    ASP  40           H        ASP  40   3.828   3.169   7.832
  285    HA   ASP  40           HA       ASP  40   5.450   0.693   8.277
  286   1HB   ASP  40          1HB       ASP  40   4.040   2.511  10.258
  287   2HB   ASP  40          2HB       ASP  40   5.070   1.135  10.666
  288    H    LYS  41           H        LYS  41   4.398  -0.976   9.515
  289    HA   LYS  41           HA       LYS  41   2.073  -2.020   8.903
  290   1HB   LYS  41          1HB       LYS  41   2.090  -3.267  10.906
  291   2HB   LYS  41          2HB       LYS  41   3.742  -2.928  10.412
  292   1HG   LYS  41          1HG       LYS  41   3.795  -1.045  12.148
  293   2HG   LYS  41          2HG       LYS  41   2.264  -1.745  12.766
  294   1HD   LYS  41          1HD       LYS  41   3.515  -3.997  12.655
  295   2HD   LYS  41          2HD       LYS  41   5.003  -3.060  12.486
  296   1HE   LYS  41          1HE       LYS  41   5.133  -2.654  14.685
  297   2HE   LYS  41          2HE       LYS  41   3.424  -2.187  14.830
  298   1HZ   LYS  41          1HZ       LYS  41   4.411  -4.951  14.583
  299   2HZ   LYS  41          2HZ       LYS  41   4.036  -4.261  16.038
  300   3HZ   LYS  41          3HZ       LYS  41   2.866  -4.517  14.897
  301    H    LYS  42           H        LYS  42   2.306   0.387  11.404
  302    HA   LYS  42           HA       LYS  42  -0.339   0.697  12.315
  303   1HB   LYS  42          1HB       LYS  42   1.851   2.745  11.793
  304   2HB   LYS  42          2HB       LYS  42   0.353   3.132  12.638
  305   1HG   LYS  42          1HG       LYS  42   0.855   1.849  14.499
  306   2HG   LYS  42          2HG       LYS  42   2.030   0.825  13.674
  307   1HD   LYS  42          1HD       LYS  42   2.499   3.803  14.052
  308   2HD   LYS  42          2HD       LYS  42   2.937   2.633  15.310
  309   1HE   LYS  42          1HE       LYS  42   4.523   1.496  13.903
  310   2HE   LYS  42          2HE       LYS  42   3.891   2.259  12.451
  311   1HZ   LYS  42          1HZ       LYS  42   5.560   3.554  14.474
  312   2HZ   LYS  42          2HZ       LYS  42   5.836   3.290  12.860
  313   3HZ   LYS  42          3HZ       LYS  42   4.733   4.379  13.295
  314    H    SER  43           H        SER  43   0.958   3.160  10.017
  315    HA   SER  43           HA       SER  43  -1.457   4.015   9.037
  316   1HB   SER  43          1HB       SER  43   1.155   3.840   7.483
  317   2HB   SER  43          2HB       SER  43  -0.140   5.047   7.319
  318    HG   SER  43           HG       SER  43   0.390   5.789   9.384
  319    H    ALA  44           H        ALA  44   0.687   1.509   7.691
  320    HA   ALA  44           HA       ALA  44  -0.464   0.845   5.277
  321   1HB   ALA  44          1HB       ALA  44   1.632  -0.065   6.257
  322   2HB   ALA  44          2HB       ALA  44   0.674  -1.059   7.352
  323   3HB   ALA  44          3HB       ALA  44   0.512  -1.311   5.611
  324    H    HIS  45           H        HIS  45  -1.215  -0.678   8.429
  325    HA   HIS  45           HA       HIS  45  -3.430  -2.203   7.311
  326   1HB   HIS  45          1HB       HIS  45  -2.314  -1.819  10.106
  327   2HB   HIS  45          2HB       HIS  45  -3.759  -2.745   9.793
  328    HD1  HIS  45           HND      HIS  45  -2.357  -4.718  10.944
  329    HD2  HIS  45           HD       HIS  45  -1.088  -3.473   7.117
  330    HE1  HIS  45           HE       HIS  45  -0.902  -6.571   9.999
  331    H    LYS  46           H        LYS  46  -3.095   0.990   8.622
  332    HA   LYS  46           HA       LYS  46  -5.815   1.064   9.746
  333   1HB   LYS  46          1HB       LYS  46  -3.868   1.662  11.046
  334   2HB   LYS  46          2HB       LYS  46  -3.444   2.958   9.926
  335   1HG   LYS  46          1HG       LYS  46  -6.057   2.870  11.496
  336   2HG   LYS  46          2HG       LYS  46  -4.532   3.520  12.140
  337   1HD   LYS  46          1HD       LYS  46  -4.404   4.988  10.093
  338   2HD   LYS  46          2HD       LYS  46  -6.109   4.547   9.792
  339   1HE   LYS  46          1HE       LYS  46  -6.680   5.509  12.048
  340   2HE   LYS  46          2HE       LYS  46  -4.975   5.966  12.244
  341   1HZ   LYS  46          1HZ       LYS  46  -6.153   7.843  11.419
  342   2HZ   LYS  46          2HZ       LYS  46  -5.216   7.279  10.182
  343   3HZ   LYS  46          3HZ       LYS  46  -6.804   6.983  10.170
  344    H    ASP  47           H        ASP  47  -3.874   3.429   7.788
  345    HA   ASP  47           HA       ASP  47  -6.334   4.061   6.235
  346   1HB   ASP  47          1HB       ASP  47  -5.889   6.464   6.510
  347   2HB   ASP  47          2HB       ASP  47  -6.363   5.654   7.980
  348    H    ALA  48           H        ALA  48  -3.214   3.081   5.796
  349    HA   ALA  48           HA       ALA  48  -2.906   4.738   3.311
  350   1HB   ALA  48          1HB       ALA  48  -0.676   3.745   3.174
  351   2HB   ALA  48          2HB       ALA  48  -0.987   4.649   4.672
  352   3HB   ALA  48          3HB       ALA  48  -0.975   2.881   4.700
  353    H    CYS  49           H        CYS  49  -1.868   1.346   3.561
  354    HA   CYS  49           HA       CYS  49  -2.978   0.760   1.008
  355   1HB   CYS  49          1HB       CYS  49  -2.259  -1.258   3.127
  356   2HB   CYS  49          2HB       CYS  49  -2.240  -1.476   1.381
  357    H    LYS  50           H        LYS  50  -3.990  -0.194   4.282
  358    HA   LYS  50           HA       LYS  50  -6.006  -1.891   3.526
  359   1HB   LYS  50          1HB       LYS  50  -5.020  -1.429   5.854
  360   2HB   LYS  50          2HB       LYS  50  -6.165  -0.092   5.979
  361   1HG   LYS  50          1HG       LYS  50  -7.311  -1.825   7.030
  362   2HG   LYS  50          2HG       LYS  50  -8.006  -1.880   5.436
  363   1HD   LYS  50          1HD       LYS  50  -7.294  -3.975   5.062
  364   2HD   LYS  50          2HD       LYS  50  -5.620  -3.568   5.420
  365   1HE   LYS  50          1HE       LYS  50  -7.766  -4.219   7.495
  366   2HE   LYS  50          2HE       LYS  50  -6.518  -5.339   6.930
  367   1HZ   LYS  50          1HZ       LYS  50  -5.905  -2.768   8.271
  368   2HZ   LYS  50          2HZ       LYS  50  -5.982  -4.224   9.033
  369   3HZ   LYS  50          3HZ       LYS  50  -4.851  -3.961   7.872
  370    H    THR  51           H        THR  51  -6.329   1.691   3.857
  371    HA   THR  51           HA       THR  51  -9.157   1.622   4.116
  372    HB   THR  51           HB       THR  51  -7.865   3.517   4.844
  373    HG1  THR  51           HG1      THR  51  -9.308   5.097   3.961
  374   1HG2  THR  51          1HG2      THR  51  -6.259   3.750   2.962
  375   2HG2  THR  51          2HG2      THR  51  -7.573   4.279   1.893
  376   3HG2  THR  51          3HG2      THR  51  -7.111   5.262   3.286
  377    H    CYS  52           H        CYS  52  -7.075   1.858   1.228
  378    HA   CYS  52           HA       CYS  52  -9.332   1.846  -0.655
  379   1HB   CYS  52          1HB       CYS  52  -6.378   1.190  -0.811
  380   2HB   CYS  52          2HB       CYS  52  -7.523   0.811  -2.110
  381    H    HIS  53           H        HIS  53  -6.982  -0.532   0.626
  382    HA   HIS  53           HA       HIS  53  -8.333  -2.775  -0.592
  383   1HB   HIS  53          1HB       HIS  53  -6.036  -2.416   1.353
  384   2HB   HIS  53          2HB       HIS  53  -6.658  -3.993   0.917
  385    HD1  HIS  53           HND      HIS  53  -4.885  -5.007  -0.354
  386    HD2  HIS  53           HD       HIS  53  -5.462  -1.014  -1.502
  387    HE1  HIS  53           HE       HIS  53  -3.388  -4.584  -2.346
  388    H    LYS  54           H        LYS  54 -10.251  -1.413   1.001
  389    HA   LYS  54           HA       LYS  54 -10.777  -2.942   3.438
  390   1HB   LYS  54          1HB       LYS  54 -12.378  -0.962   1.822
  391   2HB   LYS  54          2HB       LYS  54 -13.062  -1.870   3.188
  392   1HG   LYS  54          1HG       LYS  54 -11.362  -1.003   4.722
  393   2HG   LYS  54          2HG       LYS  54 -10.500  -0.287   3.361
  394   1HD   LYS  54          1HD       LYS  54 -11.573   1.476   4.407
  395   2HD   LYS  54          2HD       LYS  54 -12.389   1.173   2.863
  396   1HE   LYS  54          1HE       LYS  54 -14.242   0.022   4.036
  397   2HE   LYS  54          2HE       LYS  54 -13.397   0.192   5.586
  398   1HZ   LYS  54          1HZ       LYS  54 -14.381   2.417   3.923
  399   2HZ   LYS  54          2HZ       LYS  54 -15.084   1.864   5.304
  400   3HZ   LYS  54          3HZ       LYS  54 -13.601   2.573   5.363
  401    H    SER  55           H        SER  55 -12.375  -2.613   0.261
  402    HA   SER  55           HA       SER  55 -13.550  -5.359   0.518
  403   1HB   SER  55          1HB       SER  55 -14.733  -2.923  -0.863
  404   2HB   SER  55          2HB       SER  55 -15.517  -4.478  -0.533
  405    HG   SER  55           HG       SER  55 -16.103  -2.921   1.033
  406    H    ASN  56           H        ASN  56 -11.011  -4.981  -0.640
  407    HA   ASN  56           HA       ASN  56 -11.493  -5.208  -3.591
  408   1HB   ASN  56          1HB       ASN  56  -8.956  -4.617  -2.013
  409   2HB   ASN  56          2HB       ASN  56  -9.006  -4.999  -3.738
  410   1HD2  ASN  56          1HD2      ASN  56  -7.834  -2.812  -3.687
  411   2HD2  ASN  56          2HD2      ASN  56  -8.878  -1.407  -3.859
  412    H    ASN  57           H        ASN  57 -10.883  -7.079  -4.571
  413    HA   ASN  57           HA       ASN  57 -10.603  -9.314  -4.835
  414   1HB   ASN  57          1HB       ASN  57  -8.627  -9.033  -2.519
  415   2HB   ASN  57          2HB       ASN  57  -8.753 -10.409  -3.600
  416   1HD2  ASN  57          1HD2      ASN  57  -7.004 -10.454  -4.911
  417   2HD2  ASN  57          2HD2      ASN  57  -6.304  -9.074  -5.711
  418    H    GLY  58           H        GLY  58 -10.406 -11.540  -3.328
  419   1HA   GLY  58          1HA       GLY  58 -12.816 -11.593  -1.637
  420   2HA   GLY  58          2HA       GLY  58 -11.777 -12.948  -2.084
  421    HA   PRO  59           HA       PRO  59  -9.876 -10.640   1.735
  422   1HB   PRO  59          1HB       PRO  59 -11.535 -10.904   3.917
  423   2HB   PRO  59          2HB       PRO  59 -11.547  -9.489   2.824
  424   1HG   PRO  59          1HG       PRO  59 -13.374 -11.899   2.739
  425   2HG   PRO  59          2HG       PRO  59 -13.834 -10.171   2.669
  426   1HD   PRO  59          1HD       PRO  59 -13.601 -11.695   0.436
  427   2HD   PRO  59          2HD       PRO  59 -13.072  -9.984   0.417
  428    H    THR  60           H        THR  60  -8.628 -11.925   3.123
  429    HA   THR  60           HA       THR  60  -9.203 -14.783   3.564
  430    HB   THR  60           HB       THR  60  -7.472 -13.660   1.346
  431    HG1  THR  60           HG1      THR  60  -9.694 -14.623   1.234
  432   1HG2  THR  60          1HG2      THR  60  -5.783 -15.059   2.255
  433   2HG2  THR  60          2HG2      THR  60  -6.957 -16.342   2.671
  434   3HG2  THR  60          3HG2      THR  60  -6.562 -15.980   0.977
  435    H    LYS  61           H        LYS  61  -8.950 -12.796   5.394
  436    HA   LYS  61           HA       LYS  61  -7.834 -11.782   7.005
  437   1HB   LYS  61          1HB       LYS  61  -5.989 -14.199   7.058
  438   2HB   LYS  61          2HB       LYS  61  -6.341 -13.043   8.348
  439   1HG   LYS  61          1HG       LYS  61  -8.826 -13.781   8.089
  440   2HG   LYS  61          2HG       LYS  61  -8.191 -15.120   7.101
  441   1HD   LYS  61          1HD       LYS  61  -6.628 -15.661   8.989
  442   2HD   LYS  61          2HD       LYS  61  -7.447 -14.406   9.952
  443   1HE   LYS  61          1HE       LYS  61  -9.612 -15.675   9.689
  444   2HE   LYS  61          2HE       LYS  61  -8.737 -16.940   8.807
  445   1HZ   LYS  61          1HZ       LYS  61  -8.272 -16.164  11.614
  446   2HZ   LYS  61          2HZ       LYS  61  -9.031 -17.525  11.096
  447   3HZ   LYS  61          3HZ       LYS  61  -7.429 -17.320  10.798
  448    H    CYS  62           H        CYS  62  -5.087 -13.300   5.269
  449    HA   CYS  62           HA       CYS  62  -3.793 -10.634   5.087
  450   1HB   CYS  62          1HB       CYS  62  -2.276 -13.187   5.595
  451   2HB   CYS  62          2HB       CYS  62  -1.735 -11.507   5.807
  452    H    GLY  63           H        GLY  63  -1.454 -11.793   3.793
  453   1HA   GLY  63          1HA       GLY  63  -0.735 -12.902   1.889
  454   2HA   GLY  63          2HA       GLY  63  -2.396 -13.394   1.536
  455    H    GLY  64           H        GLY  64  -3.617 -10.890   1.497
  456   1HA   GLY  64          1HA       GLY  64  -3.675  -9.938  -0.988
  457   2HA   GLY  64          2HA       GLY  64  -3.886  -8.888   0.429
  458    H    CYS  65           H        CYS  65  -1.114  -9.023   1.287
  459    HA   CYS  65           HA       CYS  65   0.122  -7.171  -0.722
  460   1HB   CYS  65          1HB       CYS  65  -0.116  -6.677   2.224
  461   2HB   CYS  65          2HB       CYS  65   0.419  -5.534   0.988
  462    H    HIS  66           H        HIS  66   0.630  -8.820   2.447
  463    HA   HIS  66           HA       HIS  66   3.517  -8.995   2.134
  464   1HB   HIS  66          1HB       HIS  66   1.618 -10.718   3.772
  465   2HB   HIS  66          2HB       HIS  66   3.368 -10.675   3.907
  466    HD1  HIS  66           HND      HIS  66   4.471  -8.512   5.129
  467    HD2  HIS  66           HD       HIS  66   0.240  -8.690   5.004
  468    HE1  HIS  66           HE       HIS  66   3.556  -6.796   6.770
  469    H    ILE  67           H        ILE  67   4.583 -10.471   0.838
  470    HA   ILE  67           HA       ILE  67   3.065 -12.755  -0.308
  471    HB   ILE  67           HB       ILE  67   5.994 -12.049  -0.652
  472   1HG1  ILE  67          1HG1      ILE  67   4.781 -10.085  -1.363
  473   2HG1  ILE  67          2HG1      ILE  67   5.347 -10.963  -2.774
  474   1HG2  ILE  67          1HG2      ILE  67   5.469 -14.325  -1.370
  475   2HG2  ILE  67          2HG2      ILE  67   4.053 -13.766  -2.267
  476   3HG2  ILE  67          3HG2      ILE  67   5.685 -13.312  -2.799
  477   1HD1  ILE  67          1HD1      ILE  67   2.486 -10.976  -1.701
  478   2HD1  ILE  67          2HD1      ILE  67   3.087 -10.121  -3.123
  479   3HD1  ILE  67          3HD1      ILE  67   3.053 -11.889  -3.119
  480    H    LYS  68           H        LYS  68   2.735 -13.050   2.201
  481    HA   LYS  68           HA       LYS  68   3.814 -15.389   3.225
  482   1HB   LYS  68          1HB       LYS  68   5.597 -13.098   3.631
  483   2HB   LYS  68          2HB       LYS  68   4.933 -13.665   5.164
  484   1HG   LYS  68          1HG       LYS  68   6.819 -14.785   5.179
  485   2HG   LYS  68          2HG       LYS  68   5.772 -16.020   4.473
  486   1HD   LYS  68          1HD       LYS  68   6.723 -15.685   2.297
  487   2HD   LYS  68          2HD       LYS  68   7.385 -14.096   2.744
  488   1HE   LYS  68          1HE       LYS  68   8.974 -15.233   4.320
  489   2HE   LYS  68          2HE       LYS  68   8.398 -16.798   3.712
  490   1HZ   LYS  68          1HZ       LYS  68   9.141 -16.102   1.514
  491   2HZ   LYS  68          2HZ       LYS  68   9.677 -14.667   2.114
  492   3HZ   LYS  68          3HZ       LYS  68  10.388 -16.071   2.588
  493    HHA  HEC  69           HCM      HEC  69   8.480   7.483  -1.942
  494    HHB  HEC  69           HDM      HEC  69   6.588  11.074  -6.803
  495    HHC  HEC  69           HAM      HEC  69   1.327   7.404  -7.326
  496    HHD  HEC  69           HBM      HEC  69   2.750   4.838  -1.662
  497   1HMA  HEC  69          HM81      HEC  69   9.269  10.752  -6.698
  498   2HMA  HEC  69          HM82      HEC  69   8.487  12.080  -5.802
  499   3HMA  HEC  69          HM83      HEC  69   9.978  11.357  -5.197
  500   1HAA  HEC  69          HP71      HEC  69  10.304  10.522  -3.189
  501   2HAA  HEC  69          HP72      HEC  69   9.933   9.141  -2.179
  502   1HBA  HEC  69          HP73      HEC  69  11.217   9.021  -4.919
  503   2HBA  HEC  69          HP74      HEC  69  12.047   8.866  -3.363
  504   1HMB  HEC  69          HM11      HEC  69   3.842  12.106  -8.715
  505   2HMB  HEC  69          HM12      HEC  69   5.562  11.777  -8.516
  506   3HMB  HEC  69          HM13      HEC  69   4.675  10.943  -9.784
  507    HAB  HEC  69          HT2A      HEC  69   1.170   8.947  -8.766
  508   1HBB  HEC  69          HT21      HEC  69   2.738   9.506 -10.680
  509   2HBB  HEC  69          HT22      HEC  69   1.094  10.153 -10.726
  510   3HBB  HEC  69          HT23      HEC  69   2.423  11.218 -10.284
  511   1HMC  HEC  69          HM31      HEC  69  -0.605   6.645  -6.330
  512   2HMC  HEC  69          HM32      HEC  69   0.008   5.054  -6.830
  513   3HMC  HEC  69          HM33      HEC  69  -1.035   5.217  -5.407
  514    HAC  HEC  69          HT4A      HEC  69   0.775   4.405  -2.033
  515   1HBC  HEC  69          HT41      HEC  69  -0.585   2.665  -2.729
  516   2HBC  HEC  69          HT42      HEC  69  -0.853   3.355  -4.324
  517   3HBC  HEC  69          HT43      HEC  69   0.739   2.672  -3.909
  518   1HMD  HEC  69          HM51      HEC  69   3.684   4.570   0.322
  519   2HMD  HEC  69          HM52      HEC  69   4.990   3.475  -0.154
  520   3HMD  HEC  69          HM53      HEC  69   5.252   4.687   1.097
  521   1HAD  HEC  69          HP61      HEC  69   8.330   6.641  -0.022
  522   2HAD  HEC  69          HP62      HEC  69   7.142   5.847   0.958
  523   1HBD  HEC  69          HP63      HEC  69   7.653   3.747  -0.444
  524   2HBD  HEC  69          HP64      HEC  69   9.054   4.633  -1.058
  525    HHA  HEC  70           HCM      HEC  70  -3.906  -4.972  -6.725
  526    HHB  HEC  70           HDM      HEC  70   0.289  -4.150  -1.947
  527    HHC  HEC  70           HAM      HEC  70  -2.175   1.655  -0.856
  528    HHD  HEC  70           HBM      HEC  70  -6.543   0.675  -5.334
  529   1HMA  HEC  70          HM81      HEC  70   1.056  -5.787  -3.237
  530   2HMA  HEC  70          HM82      HEC  70  -0.119  -7.130  -3.268
  531   3HMA  HEC  70          HM83      HEC  70   0.723  -6.615  -4.749
  532   1HAA  HEC  70          HP71      HEC  70  -2.269  -6.578  -6.917
  533   2HAA  HEC  70          HP72      HEC  70  -1.175  -7.448  -5.857
  534   1HBA  HEC  70          HP73      HEC  70  -2.942  -8.000  -4.315
  535   2HBA  HEC  70          HP74      HEC  70  -4.084  -6.951  -5.158
  536   1HMB  HEC  70          HM11      HEC  70   1.521  -1.863   0.714
  537   2HMB  HEC  70          HM12      HEC  70   0.346  -3.184   0.756
  538   3HMB  HEC  70          HM13      HEC  70   1.594  -3.141  -0.504
  539    HAB  HEC  70          HT2A      HEC  70  -0.710   1.350   0.565
  540   1HBB  HEC  70          HT21      HEC  70   1.560   1.726   1.160
  541   2HBB  HEC  70          HT22      HEC  70   2.087   0.204   0.433
  542   3HBB  HEC  70          HT23      HEC  70   1.428   1.485  -0.590
  543   1HMC  HEC  70          HM31      HEC  70  -4.625   4.259  -2.034
  544   2HMC  HEC  70          HM32      HEC  70  -4.377   3.260  -0.590
  545   3HMC  HEC  70          HM33      HEC  70  -3.003   3.703  -1.629
  546    HAC  HEC  70          HT4A      HEC  70  -7.339   2.111  -3.947
  547   1HBC  HEC  70          HT41      HEC  70  -5.573   4.530  -4.170
  548   2HBC  HEC  70          HT42      HEC  70  -6.569   3.699  -5.404
  549   3HBC  HEC  70          HT43      HEC  70  -7.345   4.646  -4.143
  550   1HMD  HEC  70          HM51      HEC  70  -7.028  -0.517  -8.152
  551   2HMD  HEC  70          HM52      HEC  70  -8.098  -1.817  -7.587
  552   3HMD  HEC  70          HM53      HEC  70  -7.918  -0.346  -6.626
  553   1HAD  HEC  70          HP61      HEC  70  -5.625  -4.627  -8.184
  554   2HAD  HEC  70          HP62      HEC  70  -6.777  -3.390  -8.645
  555   1HBD  HEC  70          HP63      HEC  70  -4.821  -1.915  -9.302
  556   2HBD  HEC  70          HP64      HEC  70  -3.776  -3.324  -9.071
  557    HHA  HEC  71           HCM      HEC  71   3.975  -4.011   8.534
  558    HHB  HEC  71           HDM      HEC  71   1.153  -9.359  10.543
  559    HHC  HEC  71           HAM      HEC  71  -3.141  -8.813   5.853
  560    HHD  HEC  71           HBM      HEC  71   0.110  -3.980   3.428
  561   1HMA  HEC  71          HM81      HEC  71   3.846  -8.592  11.943
  562   2HMA  HEC  71          HM82      HEC  71   3.121  -7.142  12.700
  563   3HMA  HEC  71          HM83      HEC  71   2.104  -8.467  12.237
  564   1HAA  HEC  71          HP71      HEC  71   5.448  -5.492   9.555
  565   2HAA  HEC  71          HP72      HEC  71   4.876  -4.766  11.031
  566   1HBA  HEC  71          HP73      HEC  71   5.784  -7.658  10.814
  567   2HBA  HEC  71          HP74      HEC  71   6.873  -6.312  11.121
  568   1HMB  HEC  71          HM11      HEC  71   0.081 -11.379  10.289
  569   2HMB  HEC  71          HM12      HEC  71  -1.280 -10.582  11.107
  570   3HMB  HEC  71          HM13      HEC  71  -1.564 -11.870   9.920
  571    HAB  HEC  71          HT2A      HEC  71  -3.940 -10.144   7.309
  572   1HBB  HEC  71          HT21      HEC  71  -4.302  -9.415   9.606
  573   2HBB  HEC  71          HT22      HEC  71  -5.112 -10.933   9.191
  574   3HBB  HEC  71          HT23      HEC  71  -3.656 -10.961  10.196
  575   1HMC  HEC  71          HM31      HEC  71  -4.596  -7.501   4.095
  576   2HMC  HEC  71          HM32      HEC  71  -3.782  -7.330   2.520
  577   3HMC  HEC  71          HM33      HEC  71  -3.379  -8.687   3.567
  578    HAC  HEC  71          HT4A      HEC  71  -1.705  -3.987   2.455
  579   1HBC  HEC  71          HT41      HEC  71  -4.470  -5.180   2.462
  580   2HBC  HEC  71          HT42      HEC  71  -3.923  -3.797   3.432
  581   3HBC  HEC  71          HT43      HEC  71  -3.885  -3.705   1.665
  582   1HMD  HEC  71          HM51      HEC  71   2.143  -1.274   4.061
  583   2HMD  HEC  71          HM52      HEC  71   3.319  -2.422   3.420
  584   3HMD  HEC  71          HM53      HEC  71   1.609  -2.561   3.001
  585   1HAD  HEC  71          HP61      HEC  71   3.800  -1.262   5.606
  586   2HAD  HEC  71          HP62      HEC  71   3.685  -1.574   7.301
  587   1HBD  HEC  71          HP63      HEC  71   5.592  -3.157   5.609
  588   2HBD  HEC  71          HP64      HEC  71   5.975  -1.484   6.057
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1  10.594  -0.180 -12.315
    2   2H    ALA   1          2H        ALA   1  12.236   0.050 -12.426
    3   3H    ALA   1          3H        ALA   1  11.539  -0.671 -11.119
    4    HA   ALA   1           HA       ALA   1  11.924   1.381 -10.244
    5   1HB   ALA   1          1HB       ALA   1  12.829   2.311 -12.347
    6   2HB   ALA   1          2HB       ALA   1  11.174   2.556 -12.950
    7   3HB   ALA   1          3HB       ALA   1  11.752   3.456 -11.533
    8    H    ASP   2           H        ASP   2   9.532  -0.354 -10.449
    9    HA   ASP   2           HA       ASP   2   7.271   1.523 -10.312
   10   1HB   ASP   2          1HB       ASP   2   6.244  -0.361 -11.800
   11   2HB   ASP   2          2HB       ASP   2   7.494   0.634 -12.573
   12    H    VAL   3           H        VAL   3   8.824  -0.983  -8.644
   13    HA   VAL   3           HA       VAL   3   6.507  -1.357  -6.919
   14    HB   VAL   3           HB       VAL   3   6.290  -3.234  -8.454
   15   1HG1  VAL   3          1HG1      VAL   3   8.546  -3.309  -9.441
   16   2HG1  VAL   3          2HG1      VAL   3   9.214  -3.904  -7.903
   17   3HG1  VAL   3          3HG1      VAL   3   8.068  -4.890  -8.825
   18   1HG2  VAL   3          1HG2      VAL   3   7.612  -4.228  -5.890
   19   2HG2  VAL   3          2HG2      VAL   3   5.911  -3.749  -6.076
   20   3HG2  VAL   3          3HG2      VAL   3   6.534  -5.144  -6.955
   21    H    VAL   4           H        VAL   4   7.249  -1.728  -4.759
   22    HA   VAL   4           HA       VAL   4  10.199  -1.826  -4.288
   23    HB   VAL   4           HB       VAL   4   8.253   0.198  -3.190
   24   1HG1  VAL   4          1HG1      VAL   4  11.090  -0.427  -2.210
   25   2HG1  VAL   4          2HG1      VAL   4  10.167   1.010  -1.757
   26   3HG1  VAL   4          3HG1      VAL   4   9.615  -0.572  -1.240
   27   1HG2  VAL   4          1HG2      VAL   4  10.918   0.472  -4.591
   28   2HG2  VAL   4          2HG2      VAL   4   9.313   0.848  -5.279
   29   3HG2  VAL   4          3HG2      VAL   4   9.947   1.808  -3.934
   30    H    THR   5           H        THR   5  10.641  -2.431  -2.001
   31    HA   THR   5           HA       THR   5   8.299  -3.354  -0.623
   32    HB   THR   5           HB       THR   5   9.260  -5.463  -1.541
   33    HG1  THR   5           HG1      THR   5   8.381  -5.036   0.595
   34   1HG2  THR   5          1HG2      THR   5  11.755  -4.811   0.110
   35   2HG2  THR   5          2HG2      THR   5  11.427  -6.314  -0.765
   36   3HG2  THR   5          3HG2      THR   5  11.675  -4.806  -1.666
   37    H    TYR   6           H        TYR   6   8.221  -3.083   1.440
   38    HA   TYR   6           HA       TYR   6   9.966  -1.216   2.751
   39   1HB   TYR   6          1HB       TYR   6   7.725  -2.973   3.801
   40   2HB   TYR   6          2HB       TYR   6   8.492  -1.700   4.717
   41    HD1  TYR   6           HD1      TYR   6   8.664   0.583   2.825
   42    HD2  TYR   6           HD2      TYR   6   5.477  -2.227   3.529
   43    HE1  TYR   6           HE1      TYR   6   7.138   1.959   1.489
   44    HE2  TYR   6           HE2      TYR   6   3.944  -0.820   2.198
   45    HH   TYR   6           HH       TYR   6   5.055   1.531   0.121
   46    H    GLU   7           H        GLU   7   9.632  -4.712   2.893
   47    HA   GLU   7           HA       GLU   7  10.742  -6.356   3.896
   48   1HB   GLU   7          1HB       GLU   7  12.854  -5.060   3.484
   49   2HB   GLU   7          2HB       GLU   7  12.727  -4.509   5.172
   50   1HG   GLU   7          1HG       GLU   7  12.564  -7.057   5.761
   51   2HG   GLU   7          2HG       GLU   7  13.141  -7.322   4.106
   52    H    ASN   8           H        ASN   8  10.327  -7.477   5.745
   53    HA   ASN   8           HA       ASN   8   9.527  -6.319   8.284
   54   1HB   ASN   8          1HB       ASN   8   7.436  -7.448   6.335
   55   2HB   ASN   8          2HB       ASN   8   7.222  -7.457   8.080
   56   1HD2  ASN   8          1HD2      ASN   8   7.693  -5.294   5.298
   57   2HD2  ASN   8          2HD2      ASN   8   7.281  -3.856   6.202
   58    H    LYS   9           H        LYS   9   9.096  -7.988   9.766
   59    HA   LYS   9           HA       LYS   9  10.624 -10.415   9.325
   60   1HB   LYS   9          1HB       LYS   9   9.844  -8.838  11.546
   61   2HB   LYS   9          2HB       LYS   9   8.876 -10.284  11.708
   62   1HG   LYS   9          1HG       LYS   9  10.854 -10.709  12.936
   63   2HG   LYS   9          2HG       LYS   9  10.989 -11.651  11.452
   64   1HD   LYS   9          1HD       LYS   9  13.126 -10.688  11.827
   65   2HD   LYS   9          2HD       LYS   9  12.426  -9.761  10.493
   66   1HE   LYS   9          1HE       LYS   9  11.768  -7.961  12.152
   67   2HE   LYS   9          2HE       LYS   9  12.534  -8.911  13.434
   68   1HZ   LYS   9          1HZ       LYS   9  14.623  -8.661  12.242
   69   2HZ   LYS   9          2HZ       LYS   9  13.883  -7.770  11.070
   70   3HZ   LYS   9          3HZ       LYS   9  13.969  -7.199  12.607
   71    H    LYS  10           H        LYS  10   7.271  -9.489   9.033
   72    HA   LYS  10           HA       LYS  10   6.074 -12.091   9.257
   73   1HB   LYS  10          1HB       LYS  10   5.234  -9.755   7.478
   74   2HB   LYS  10          2HB       LYS  10   4.206 -11.115   7.915
   75   1HG   LYS  10          1HG       LYS  10   5.374  -9.162   9.932
   76   2HG   LYS  10          2HG       LYS  10   3.879  -8.867   9.052
   77   1HD   LYS  10          1HD       LYS  10   3.246  -9.675  11.140
   78   2HD   LYS  10          2HD       LYS  10   2.905 -10.973   9.996
   79   1HE   LYS  10          1HE       LYS  10   4.650 -12.331  10.850
   80   2HE   LYS  10          2HE       LYS  10   5.556 -10.943  11.494
   81   1HZ   LYS  10          1HZ       LYS  10   4.565 -12.256  13.208
   82   2HZ   LYS  10          2HZ       LYS  10   3.920 -10.748  13.212
   83   3HZ   LYS  10          3HZ       LYS  10   3.053 -12.015  12.608
   84    H    GLY  11           H        GLY  11   6.924 -10.227   6.365
   85   1HA   GLY  11          1HA       GLY  11   8.365 -12.165   4.950
   86   2HA   GLY  11          2HA       GLY  11   6.653 -12.400   4.521
   87    H    ASN  12           H        ASN  12   8.568  -9.509   5.380
   88    HA   ASN  12           HA       ASN  12   8.749  -7.372   4.335
   89   1HB   ASN  12          1HB       ASN  12   8.639  -9.108   1.809
   90   2HB   ASN  12          2HB       ASN  12   9.140  -7.435   1.905
   91   1HD2  ASN  12          1HD2      ASN  12  10.378  -9.126   4.682
   92   2HD2  ASN  12          2HD2      ASN  12  11.983  -9.245   4.002
   93    H    VAL  13           H        VAL  13   7.649  -6.158   2.268
   94    HA   VAL  13           HA       VAL  13   4.825  -6.923   1.944
   95    HB   VAL  13           HB       VAL  13   5.827  -4.228   2.910
   96   1HG1  VAL  13          1HG1      VAL  13   3.513  -3.381   2.463
   97   2HG1  VAL  13          2HG1      VAL  13   4.363  -3.744   0.989
   98   3HG1  VAL  13          3HG1      VAL  13   3.145  -4.887   1.603
   99   1HG2  VAL  13          1HG2      VAL  13   4.027  -4.402   4.562
  100   2HG2  VAL  13          2HG2      VAL  13   3.570  -5.996   3.925
  101   3HG2  VAL  13          3HG2      VAL  13   5.150  -5.737   4.719
  102    H    THR  14           H        THR  14   4.951  -7.227  -0.280
  103    HA   THR  14           HA       THR  14   6.713  -5.439  -1.879
  104    HB   THR  14           HB       THR  14   6.654  -7.789  -2.466
  105    HG1  THR  14           HG1      THR  14   5.440  -6.235  -4.490
  106   1HG2  THR  14          1HG2      THR  14   4.299  -8.380  -1.909
  107   2HG2  THR  14          2HG2      THR  14   3.741  -7.404  -3.283
  108   3HG2  THR  14          3HG2      THR  14   4.755  -8.829  -3.561
  109    H    PHE  15           H        PHE  15   5.906  -3.551  -2.771
  110    HA   PHE  15           HA       PHE  15   2.959  -3.325  -3.051
  111   1HB   PHE  15          1HB       PHE  15   2.875  -1.103  -2.254
  112   2HB   PHE  15          2HB       PHE  15   3.508  -2.149  -0.988
  113    HD1  PHE  15           HD1      PHE  15   5.966  -2.184  -0.485
  114    HD2  PHE  15           HD2      PHE  15   4.152   0.783  -3.045
  115    HE1  PHE  15           HE1      PHE  15   7.797  -0.611   0.027
  116    HE2  PHE  15           HE2      PHE  15   6.017   2.354  -2.531
  117    HZ   PHE  15           HZ       PHE  15   7.780   1.676  -0.932
  118    H    ASP  16           H        ASP  16   2.546  -3.102  -5.043
  119    HA   ASP  16           HA       ASP  16   4.198  -2.118  -7.149
  120   1HB   ASP  16          1HB       ASP  16   1.288  -2.749  -6.642
  121   2HB   ASP  16          2HB       ASP  16   1.686  -1.691  -7.984
  122    H    HIS  17           H        HIS  17   4.591  -0.053  -7.773
  123    HA   HIS  17           HA       HIS  17   3.431   2.174  -6.156
  124   1HB   HIS  17          1HB       HIS  17   5.908   1.706  -5.961
  125   2HB   HIS  17          2HB       HIS  17   6.096   2.038  -7.659
  126    HD1  HIS  17           HND      HIS  17   7.428   4.303  -7.561
  127    HD2  HIS  17           HD       HIS  17   3.994   4.160  -5.132
  128    HE1  HIS  17           HE       HIS  17   7.054   6.659  -6.663
  129    H    LYS  18           H        LYS  18   4.992   1.765  -9.309
  130    HA   LYS  18           HA       LYS  18   3.755   3.967 -10.631
  131   1HB   LYS  18          1HB       LYS  18   5.795   3.234 -11.430
  132   2HB   LYS  18          2HB       LYS  18   5.333   1.535 -11.357
  133   1HG   LYS  18          1HG       LYS  18   3.878   3.247 -13.332
  134   2HG   LYS  18          2HG       LYS  18   5.564   2.826 -13.603
  135   1HD   LYS  18          1HD       LYS  18   5.287   0.652 -13.987
  136   2HD   LYS  18          2HD       LYS  18   3.984   0.477 -12.833
  137   1HE   LYS  18          1HE       LYS  18   2.482   1.804 -14.413
  138   2HE   LYS  18          2HE       LYS  18   3.749   1.671 -15.638
  139   1HZ   LYS  18          1HZ       LYS  18   3.419  -0.690 -15.638
  140   2HZ   LYS  18          2HZ       LYS  18   2.424  -0.612 -14.311
  141   3HZ   LYS  18          3HZ       LYS  18   1.941   0.072 -15.705
  142    H    ALA  19           H        ALA  19   3.190   0.517 -10.900
  143    HA   ALA  19           HA       ALA  19   0.852   0.335 -12.405
  144   1HB   ALA  19          1HB       ALA  19   1.969  -1.622 -11.554
  145   2HB   ALA  19          2HB       ALA  19   1.659  -1.049  -9.905
  146   3HB   ALA  19          3HB       ALA  19   0.302  -1.627 -10.903
  147    H    HIS  20           H        HIS  20   0.872   0.769  -8.789
  148    HA   HIS  20           HA       HIS  20  -1.953   1.206  -8.543
  149   1HB   HIS  20          1HB       HIS  20   0.448   1.942  -6.836
  150   2HB   HIS  20          2HB       HIS  20  -1.133   2.614  -6.486
  151    HD1  HIS  20           HND      HIS  20   0.061  -0.998  -7.188
  152    HD2  HIS  20           HD       HIS  20  -2.392   1.268  -4.655
  153    HE1  HIS  20           HE       HIS  20  -1.029  -2.638  -5.560
  154    H    ALA  21           H        ALA  21   0.790   3.311  -9.291
  155    HA   ALA  21           HA       ALA  21  -0.634   5.783  -9.121
  156   1HB   ALA  21          1HB       ALA  21   1.709   5.339 -10.992
  157   2HB   ALA  21          2HB       ALA  21   1.181   6.807 -10.193
  158   3HB   ALA  21          3HB       ALA  21   1.879   5.477  -9.232
  159    H    GLU  22           H        GLU  22  -0.114   3.681 -11.966
  160    HA   GLU  22           HA       GLU  22  -1.566   5.480 -13.735
  161   1HB   GLU  22          1HB       GLU  22  -1.566   3.675 -15.388
  162   2HB   GLU  22          2HB       GLU  22   0.049   4.103 -14.822
  163   1HG   GLU  22          1HG       GLU  22   0.313   2.083 -13.660
  164   2HG   GLU  22          2HG       GLU  22  -1.419   1.744 -13.609
  165    H    LYS  23           H        LYS  23  -2.436   2.501 -11.938
  166    HA   LYS  23           HA       LYS  23  -5.044   2.331 -13.132
  167   1HB   LYS  23          1HB       LYS  23  -3.983   1.232 -10.492
  168   2HB   LYS  23          2HB       LYS  23  -5.536   0.801 -11.211
  169   1HG   LYS  23          1HG       LYS  23  -2.794   0.235 -12.418
  170   2HG   LYS  23          2HG       LYS  23  -3.866  -0.897 -11.621
  171   1HD   LYS  23          1HD       LYS  23  -5.522   0.137 -13.630
  172   2HD   LYS  23          2HD       LYS  23  -3.920   0.256 -14.379
  173   1HE   LYS  23          1HE       LYS  23  -4.755  -1.922 -14.971
  174   2HE   LYS  23          2HE       LYS  23  -3.560  -2.189 -13.692
  175   1HZ   LYS  23          1HZ       LYS  23  -5.240  -3.349 -12.743
  176   2HZ   LYS  23          2HZ       LYS  23  -5.719  -1.969 -12.206
  177   3HZ   LYS  23          3HZ       LYS  23  -6.453  -2.547 -13.561
  178    H    LEU  24           H        LEU  24  -3.822   3.917 -10.186
  179    HA   LEU  24           HA       LEU  24  -6.562   4.743  -9.438
  180   1HB   LEU  24          1HB       LEU  24  -3.935   5.183  -7.985
  181   2HB   LEU  24          2HB       LEU  24  -5.573   5.378  -7.359
  182    HG   LEU  24           HG       LEU  24  -4.422   2.691  -8.290
  183   1HD1  LEU  24          1HD1      LEU  24  -3.194   3.496  -6.393
  184   2HD1  LEU  24          2HD1      LEU  24  -4.665   3.895  -5.521
  185   3HD1  LEU  24          3HD1      LEU  24  -4.280   2.194  -5.886
  186   1HD2  LEU  24          1HD2      LEU  24  -6.754   2.579  -8.545
  187   2HD2  LEU  24          2HD2      LEU  24  -6.416   1.859  -6.969
  188   3HD2  LEU  24          3HD2      LEU  24  -7.070   3.510  -7.074
  189    H    GLY  25           H        GLY  25  -3.326   6.358 -10.031
  190   1HA   GLY  25          1HA       GLY  25  -3.776   8.355 -11.547
  191   2HA   GLY  25          2HA       GLY  25  -4.690   8.989 -10.160
  192    H    CYS  26           H        CYS  26  -3.600   9.153  -8.129
  193    HA   CYS  26           HA       CYS  26  -0.857   8.883  -7.560
  194   1HB   CYS  26          1HB       CYS  26  -0.883  10.775  -9.570
  195   2HB   CYS  26          2HB       CYS  26  -1.265  11.801  -8.217
  196    H    ASP  27           H        ASP  27  -3.503  10.974  -7.511
  197    HA   ASP  27           HA       ASP  27  -3.707  12.467  -5.184
  198   1HB   ASP  27          1HB       ASP  27  -6.134  12.144  -5.658
  199   2HB   ASP  27          2HB       ASP  27  -5.226  12.583  -7.107
  200    H    ALA  28           H        ALA  28  -4.549   9.154  -5.902
  201    HA   ALA  28           HA       ALA  28  -5.732   8.102  -3.737
  202   1HB   ALA  28          1HB       ALA  28  -4.474   5.982  -4.287
  203   2HB   ALA  28          2HB       ALA  28  -5.153   6.830  -5.702
  204   3HB   ALA  28          3HB       ALA  28  -3.418   6.943  -5.344
  205    H    CYS  29           H        CYS  29  -2.246   8.783  -3.934
  206    HA   CYS  29           HA       CYS  29  -1.947   8.124  -1.009
  207   1HB   CYS  29          1HB       CYS  29   0.020   7.615  -3.217
  208   2HB   CYS  29          2HB       CYS  29   0.189   7.165  -1.509
  209    H    HIS  30           H        HIS  30  -0.977  10.272  -3.710
  210    HA   HIS  30           HA       HIS  30   0.592  11.933  -1.757
  211   1HB   HIS  30          1HB       HIS  30   1.097  11.444  -4.694
  212   2HB   HIS  30          2HB       HIS  30   1.982  12.552  -3.674
  213    HD1  HIS  30           HND      HIS  30   3.713  11.248  -1.796
  214    HD2  HIS  30           HD       HIS  30   1.995   9.109  -4.971
  215    HE1  HIS  30           HE       HIS  30   5.242   9.251  -2.319
  216    H    GLU  31           H        GLU  31  -0.494  13.790  -1.448
  217    HA   GLU  31           HA       GLU  31  -2.283  14.901  -3.516
  218   1HB   GLU  31          1HB       GLU  31  -1.562  15.843  -0.696
  219   2HB   GLU  31          2HB       GLU  31  -2.747  16.620  -1.784
  220   1HG   GLU  31          1HG       GLU  31  -4.050  14.566  -1.839
  221   2HG   GLU  31          2HG       GLU  31  -2.906  13.797  -0.717
  222    H    GLY  32           H        GLY  32  -0.814  17.323  -1.806
  223   1HA   GLY  32          1HA       GLY  32  -0.200  18.852  -3.965
  224   2HA   GLY  32          2HA       GLY  32   0.520  19.106  -2.370
  225    H    THR  33           H        THR  33   2.187  16.730  -2.292
  226    HA   THR  33           HA       THR  33   3.972  16.854  -4.590
  227    HB   THR  33           HB       THR  33   4.824  17.919  -1.856
  228    HG1  THR  33           HG1      THR  33   3.891  19.125  -4.112
  229   1HG2  THR  33          1HG2      THR  33   6.452  17.663  -4.423
  230   2HG2  THR  33          2HG2      THR  33   6.983  18.409  -2.904
  231   3HG2  THR  33          3HG2      THR  33   6.667  16.669  -2.960
  232    HA   PRO  34           HA       PRO  34   4.011  12.887  -2.858
  233   1HB   PRO  34          1HB       PRO  34   5.906  11.503  -4.295
  234   2HB   PRO  34          2HB       PRO  34   4.301  11.970  -4.915
  235   1HG   PRO  34          1HG       PRO  34   6.916  13.398  -5.298
  236   2HG   PRO  34          2HG       PRO  34   5.642  13.056  -6.506
  237   1HD   PRO  34          1HD       PRO  34   5.862  15.500  -5.294
  238   2HD   PRO  34          2HD       PRO  34   4.270  14.789  -5.689
  239    H    ALA  35           H        ALA  35   7.379  13.834  -3.394
  240    HA   ALA  35           HA       ALA  35   9.313  13.505  -2.238
  241   1HB   ALA  35          1HB       ALA  35   8.350  15.689  -1.645
  242   2HB   ALA  35          2HB       ALA  35   7.545  14.956  -0.238
  243   3HB   ALA  35          3HB       ALA  35   9.318  15.033  -0.321
  244    H    LYS  36           H        LYS  36   8.349  10.935  -1.989
  245    HA   LYS  36           HA       LYS  36   8.313   9.116  -0.851
  246   1HB   LYS  36          1HB       LYS  36  10.668  10.367  -0.661
  247   2HB   LYS  36          2HB       LYS  36  10.359  10.254   1.058
  248   1HG   LYS  36          1HG       LYS  36  10.168   7.889  -0.891
  249   2HG   LYS  36          2HG       LYS  36  11.685   8.436  -0.256
  250   1HD   LYS  36          1HD       LYS  36   9.296   7.461   1.388
  251   2HD   LYS  36          2HD       LYS  36  10.652   6.450   0.891
  252   1HE   LYS  36          1HE       LYS  36  12.196   7.762   2.196
  253   2HE   LYS  36          2HE       LYS  36  10.951   8.932   2.659
  254   1HZ   LYS  36          1HZ       LYS  36  11.319   7.325   4.388
  255   2HZ   LYS  36          2HZ       LYS  36   9.780   7.317   3.796
  256   3HZ   LYS  36          3HZ       LYS  36  10.827   6.095   3.389
  257    H    ILE  37           H        ILE  37   7.087   7.987   0.552
  258    HA   ILE  37           HA       ILE  37   5.940   9.481   2.861
  259    HB   ILE  37           HB       ILE  37   5.096   6.719   1.931
  260   1HG1  ILE  37          1HG1      ILE  37   4.884   8.056   0.011
  261   2HG1  ILE  37          2HG1      ILE  37   3.379   7.506   0.715
  262   1HG2  ILE  37          1HG2      ILE  37   2.915   7.505   2.981
  263   2HG2  ILE  37          2HG2      ILE  37   4.177   7.371   4.190
  264   3HG2  ILE  37          3HG2      ILE  37   3.753   8.951   3.565
  265   1HD1  ILE  37          1HD1      ILE  37   2.991   9.808   1.679
  266   2HD1  ILE  37          2HD1      ILE  37   4.479  10.352   0.860
  267   3HD1  ILE  37          3HD1      ILE  37   3.074   9.771  -0.068
  268    H    ALA  38           H        ALA  38   5.729   6.472   3.728
  269    HA   ALA  38           HA       ALA  38   8.018   5.485   4.988
  270   1HB   ALA  38          1HB       ALA  38   7.820   6.647   7.231
  271   2HB   ALA  38          2HB       ALA  38   8.430   7.729   5.983
  272   3HB   ALA  38          3HB       ALA  38   6.721   7.818   6.469
  273    H    ILE  39           H        ILE  39   5.790   4.331   3.976
  274    HA   ILE  39           HA       ILE  39   3.608   4.114   5.841
  275    HB   ILE  39           HB       ILE  39   4.587   2.396   3.564
  276   1HG1  ILE  39          1HG1      ILE  39   3.834   4.626   2.910
  277   2HG1  ILE  39          2HG1      ILE  39   2.783   3.344   2.325
  278   1HG2  ILE  39          1HG2      ILE  39   2.326   1.318   3.611
  279   2HG2  ILE  39          2HG2      ILE  39   3.365   0.891   4.962
  280   3HG2  ILE  39          3HG2      ILE  39   2.053   2.058   5.206
  281   1HD1  ILE  39          1HD1      ILE  39   1.161   3.880   4.173
  282   2HD1  ILE  39          2HD1      ILE  39   2.186   5.272   4.601
  283   3HD1  ILE  39          3HD1      ILE  39   1.417   5.191   3.012
  284    H    ASP  40           H        ASP  40   3.706   3.260   7.725
  285    HA   ASP  40           HA       ASP  40   5.611   1.055   8.341
  286   1HB   ASP  40          1HB       ASP  40   5.510   1.769  10.662
  287   2HB   ASP  40          2HB       ASP  40   6.130   3.014   9.628
  288    H    LYS  41           H        LYS  41   4.876  -0.420   9.771
  289    HA   LYS  41           HA       LYS  41   2.615  -1.837   9.735
  290   1HB   LYS  41          1HB       LYS  41   3.030  -2.389  12.122
  291   2HB   LYS  41          2HB       LYS  41   4.411  -2.445  11.043
  292   1HG   LYS  41          1HG       LYS  41   4.664   0.125  12.072
  293   2HG   LYS  41          2HG       LYS  41   4.015  -0.757  13.447
  294   1HD   LYS  41          1HD       LYS  41   6.392  -1.652  11.737
  295   2HD   LYS  41          2HD       LYS  41   6.562  -0.658  13.188
  296   1HE   LYS  41          1HE       LYS  41   5.757  -2.370  14.640
  297   2HE   LYS  41          2HE       LYS  41   5.121  -3.336  13.304
  298   1HZ   LYS  41          1HZ       LYS  41   7.209  -4.187  14.199
  299   2HZ   LYS  41          2HZ       LYS  41   7.265  -3.938  12.634
  300   3HZ   LYS  41          3HZ       LYS  41   8.011  -2.857  13.641
  301    H    LYS  42           H        LYS  42   2.817   1.058  11.824
  302    HA   LYS  42           HA       LYS  42   0.190   1.045  12.758
  303   1HB   LYS  42          1HB       LYS  42   2.191   2.338  13.583
  304   2HB   LYS  42          2HB       LYS  42   2.033   3.372  12.149
  305   1HG   LYS  42          1HG       LYS  42  -0.150   4.115  12.849
  306   2HG   LYS  42          2HG       LYS  42  -0.118   2.955  14.191
  307   1HD   LYS  42          1HD       LYS  42   0.365   5.126  15.081
  308   2HD   LYS  42          2HD       LYS  42   1.829   4.161  15.202
  309   1HE   LYS  42          1HE       LYS  42   1.311   6.135  12.905
  310   2HE   LYS  42          2HE       LYS  42   2.006   6.629  14.451
  311   1HZ   LYS  42          1HZ       LYS  42   3.311   4.723  12.570
  312   2HZ   LYS  42          2HZ       LYS  42   3.731   6.243  12.899
  313   3HZ   LYS  42          3HZ       LYS  42   3.841   5.093  14.054
  314    H    SER  43           H        SER  43   1.530   3.173  10.077
  315    HA   SER  43           HA       SER  43  -1.019   4.211   9.433
  316   1HB   SER  43          1HB       SER  43   1.402   3.951   7.606
  317   2HB   SER  43          2HB       SER  43   0.046   5.084   7.444
  318    HG   SER  43           HG       SER  43   2.093   4.944   9.391
  319    H    ALA  44           H        ALA  44   0.883   1.670   7.879
  320    HA   ALA  44           HA       ALA  44  -0.533   0.712   5.755
  321   1HB   ALA  44          1HB       ALA  44   0.883  -0.796   7.976
  322   2HB   ALA  44          2HB       ALA  44   0.328  -1.469   6.444
  323   3HB   ALA  44          3HB       ALA  44   1.574  -0.172   6.472
  324    H    HIS  45           H        HIS  45  -0.933  -0.510   9.103
  325    HA   HIS  45           HA       HIS  45  -3.338  -1.971   8.304
  326   1HB   HIS  45          1HB       HIS  45  -1.564  -1.970  10.728
  327   2HB   HIS  45          2HB       HIS  45  -3.204  -2.577  10.844
  328    HD1  HIS  45           HND      HIS  45  -3.730  -4.905   9.919
  329    HD2  HIS  45           HD       HIS  45   0.040  -3.408   8.818
  330    HE1  HIS  45           HE       HIS  45  -2.539  -6.774   8.688
  331    H    LYS  46           H        LYS  46  -2.750   1.204   9.476
  332    HA   LYS  46           HA       LYS  46  -5.251   1.383  11.037
  333   1HB   LYS  46          1HB       LYS  46  -3.321   2.558  11.798
  334   2HB   LYS  46          2HB       LYS  46  -3.079   3.383  10.263
  335   1HG   LYS  46          1HG       LYS  46  -5.544   3.796  11.999
  336   2HG   LYS  46          2HG       LYS  46  -4.031   4.659  12.258
  337   1HD   LYS  46          1HD       LYS  46  -4.493   5.028   9.505
  338   2HD   LYS  46          2HD       LYS  46  -6.108   5.065  10.217
  339   1HE   LYS  46          1HE       LYS  46  -5.402   7.297  10.176
  340   2HE   LYS  46          2HE       LYS  46  -5.132   6.823  11.859
  341   1HZ   LYS  46          1HZ       LYS  46  -2.792   6.450  11.232
  342   2HZ   LYS  46          2HZ       LYS  46  -3.113   6.948   9.697
  343   3HZ   LYS  46          3HZ       LYS  46  -3.251   8.006  10.945
  344    H    ASP  47           H        ASP  47  -3.893   3.165   8.264
  345    HA   ASP  47           HA       ASP  47  -6.070   2.681   6.507
  346   1HB   ASP  47          1HB       ASP  47  -5.977   5.426   7.852
  347   2HB   ASP  47          2HB       ASP  47  -6.594   5.188   6.240
  348    H    ALA  48           H        ALA  48  -4.190   1.970   5.429
  349    HA   ALA  48           HA       ALA  48  -3.492   4.109   3.625
  350   1HB   ALA  48          1HB       ALA  48  -1.229   2.556   4.935
  351   2HB   ALA  48          2HB       ALA  48  -1.080   3.474   3.421
  352   3HB   ALA  48          3HB       ALA  48  -1.491   4.301   4.936
  353    H    CYS  49           H        CYS  49  -2.170   0.818   4.098
  354    HA   CYS  49           HA       CYS  49  -3.163   0.005   1.474
  355   1HB   CYS  49          1HB       CYS  49  -1.839  -1.723   3.502
  356   2HB   CYS  49          2HB       CYS  49  -1.846  -1.930   1.765
  357    H    LYS  50           H        LYS  50  -3.622  -1.022   4.960
  358    HA   LYS  50           HA       LYS  50  -5.744  -2.850   4.116
  359   1HB   LYS  50          1HB       LYS  50  -4.069  -3.228   6.030
  360   2HB   LYS  50          2HB       LYS  50  -5.054  -2.081   6.946
  361   1HG   LYS  50          1HG       LYS  50  -7.049  -3.752   6.058
  362   2HG   LYS  50          2HG       LYS  50  -5.677  -4.840   5.917
  363   1HD   LYS  50          1HD       LYS  50  -6.332  -5.345   8.039
  364   2HD   LYS  50          2HD       LYS  50  -5.180  -4.064   8.418
  365   1HE   LYS  50          1HE       LYS  50  -8.231  -3.799   8.192
  366   2HE   LYS  50          2HE       LYS  50  -7.318  -3.892   9.701
  367   1HZ   LYS  50          1HZ       LYS  50  -7.908  -1.628   9.163
  368   2HZ   LYS  50          2HZ       LYS  50  -6.285  -1.779   9.144
  369   3HZ   LYS  50          3HZ       LYS  50  -7.120  -1.701   7.732
  370    H    THR  51           H        THR  51  -6.609  -0.612   3.164
  371    HA   THR  51           HA       THR  51  -9.124  -0.339   4.503
  372    HB   THR  51           HB       THR  51  -7.784   1.355   5.816
  373    HG1  THR  51           HG1      THR  51  -9.403   2.792   5.745
  374   1HG2  THR  51          1HG2      THR  51  -7.286   3.521   4.766
  375   2HG2  THR  51          2HG2      THR  51  -6.404   2.259   3.895
  376   3HG2  THR  51          3HG2      THR  51  -7.880   2.990   3.216
  377    H    CYS  52           H        CYS  52  -6.906   0.935   2.003
  378    HA   CYS  52           HA       CYS  52  -8.911   2.026   0.375
  379   1HB   CYS  52          1HB       CYS  52  -6.195   1.979   0.449
  380   2HB   CYS  52          2HB       CYS  52  -6.493   0.848  -0.871
  381    H    HIS  53           H        HIS  53  -7.515  -1.247   0.502
  382    HA   HIS  53           HA       HIS  53  -8.857  -2.155  -1.855
  383   1HB   HIS  53          1HB       HIS  53  -7.699  -3.958   0.273
  384   2HB   HIS  53          2HB       HIS  53  -7.927  -4.288  -1.433
  385    HD1  HIS  53           HND      HIS  53  -5.539  -2.442   0.952
  386    HD2  HIS  53           HD       HIS  53  -6.065  -3.095  -3.190
  387    HE1  HIS  53           HE       HIS  53  -3.435  -1.773  -0.185
  388    H    LYS  54           H        LYS  54 -10.949  -1.094  -0.553
  389    HA   LYS  54           HA       LYS  54 -12.584  -3.613  -0.409
  390   1HB   LYS  54          1HB       LYS  54 -13.312  -0.944   0.847
  391   2HB   LYS  54          2HB       LYS  54 -14.380  -2.335   0.677
  392   1HG   LYS  54          1HG       LYS  54 -13.773  -2.918   2.742
  393   2HG   LYS  54          2HG       LYS  54 -12.350  -3.583   1.939
  394   1HD   LYS  54          1HD       LYS  54 -11.533  -2.319   3.778
  395   2HD   LYS  54          2HD       LYS  54 -11.211  -1.392   2.309
  396   1HE   LYS  54          1HE       LYS  54 -13.377  -0.061   2.838
  397   2HE   LYS  54          2HE       LYS  54 -13.452  -0.936   4.370
  398   1HZ   LYS  54          1HZ       LYS  54 -12.427   1.271   4.525
  399   2HZ   LYS  54          2HZ       LYS  54 -11.349   0.123   4.968
  400   3HZ   LYS  54          3HZ       LYS  54 -11.243   0.813   3.490
  401    H    SER  55           H        SER  55 -11.441  -2.170  -2.728
  402    HA   SER  55           HA       SER  55 -13.908  -2.306  -4.277
  403   1HB   SER  55          1HB       SER  55 -13.673  -0.090  -5.313
  404   2HB   SER  55          2HB       SER  55 -13.991   0.065  -3.578
  405    HG   SER  55           HG       SER  55 -11.466   0.199  -4.862
  406    H    ASN  56           H        ASN  56 -12.284  -4.157  -4.505
  407    HA   ASN  56           HA       ASN  56 -11.198  -4.328  -7.020
  408   1HB   ASN  56          1HB       ASN  56  -8.685  -4.401  -6.464
  409   2HB   ASN  56          2HB       ASN  56  -9.442  -2.856  -6.797
  410   1HD2  ASN  56          1HD2      ASN  56  -9.556  -1.308  -5.201
  411   2HD2  ASN  56          2HD2      ASN  56  -8.629  -1.408  -3.702
  412    H    ASN  57           H        ASN  57 -10.682  -5.338  -3.567
  413    HA   ASN  57           HA       ASN  57 -11.400  -7.985  -4.408
  414   1HB   ASN  57          1HB       ASN  57  -8.625  -7.432  -4.582
  415   2HB   ASN  57          2HB       ASN  57  -8.789  -8.215  -3.014
  416   1HD2  ASN  57          1HD2      ASN  57  -9.900  -8.443  -6.408
  417   2HD2  ASN  57          2HD2      ASN  57  -9.842 -10.209  -6.505
  418    H    GLY  58           H        GLY  58 -10.931  -9.570  -2.424
  419   1HA   GLY  58          1HA       GLY  58 -12.030  -8.226   0.022
  420   2HA   GLY  58          2HA       GLY  58 -12.738  -9.660  -0.705
  421    HA   PRO  59           HA       PRO  59  -8.502 -10.962   1.102
  422   1HB   PRO  59          1HB       PRO  59  -7.657  -9.746   3.424
  423   2HB   PRO  59          2HB       PRO  59  -7.400  -8.975   1.831
  424   1HG   PRO  59          1HG       PRO  59  -9.675  -8.474   3.776
  425   2HG   PRO  59          2HG       PRO  59  -8.617  -7.253   3.008
  426   1HD   PRO  59          1HD       PRO  59 -11.069  -7.896   2.013
  427   2HD   PRO  59          2HD       PRO  59  -9.711  -7.520   0.910
  428    H    THR  60           H        THR  60  -7.831 -12.193   3.034
  429    HA   THR  60           HA       THR  60 -10.334 -13.680   3.595
  430    HB   THR  60           HB       THR  60  -9.346 -13.613   1.223
  431    HG1  THR  60           HG1      THR  60 -10.850 -14.917   1.601
  432   1HG2  THR  60          1HG2      THR  60  -7.389 -15.670   2.270
  433   2HG2  THR  60          2HG2      THR  60  -7.679 -15.180   0.601
  434   3HG2  THR  60          3HG2      THR  60  -6.960 -14.023   1.729
  435    H    LYS  61           H        LYS  61  -6.736 -13.928   3.848
  436    HA   LYS  61           HA       LYS  61  -6.877 -14.246   6.654
  437   1HB   LYS  61          1HB       LYS  61  -5.824 -16.554   6.798
  438   2HB   LYS  61          2HB       LYS  61  -7.553 -16.406   6.582
  439   1HG   LYS  61          1HG       LYS  61  -6.949 -18.201   5.293
  440   2HG   LYS  61          2HG       LYS  61  -7.301 -16.923   4.137
  441   1HD   LYS  61          1HD       LYS  61  -4.945 -16.607   3.668
  442   2HD   LYS  61          2HD       LYS  61  -4.475 -17.541   5.107
  443   1HE   LYS  61          1HE       LYS  61  -5.460 -19.598   4.058
  444   2HE   LYS  61          2HE       LYS  61  -5.822 -18.656   2.601
  445   1HZ   LYS  61          1HZ       LYS  61  -3.449 -18.256   2.376
  446   2HZ   LYS  61          2HZ       LYS  61  -3.134 -19.133   3.729
  447   3HZ   LYS  61          3HZ       LYS  61  -3.766 -19.868   2.403
  448    H    CYS  62           H        CYS  62  -5.661 -12.393   6.102
  449    HA   CYS  62           HA       CYS  62  -3.893 -11.150   5.621
  450   1HB   CYS  62          1HB       CYS  62  -2.197 -13.559   6.351
  451   2HB   CYS  62          2HB       CYS  62  -1.692 -11.862   6.379
  452    H    GLY  63           H        GLY  63  -1.324 -12.694   4.502
  453   1HA   GLY  63          1HA       GLY  63  -0.629 -13.753   2.591
  454   2HA   GLY  63          2HA       GLY  63  -2.311 -13.921   2.078
  455    H    GLY  64           H        GLY  64  -3.148 -11.329   1.893
  456   1HA   GLY  64          1HA       GLY  64  -2.774 -10.635  -0.649
  457   2HA   GLY  64          2HA       GLY  64  -3.090  -9.411   0.589
  458    H    CYS  65           H        CYS  65  -0.769  -9.173   1.913
  459    HA   CYS  65           HA       CYS  65   0.822  -7.719  -0.153
  460   1HB   CYS  65          1HB       CYS  65   0.328  -7.018   2.716
  461   2HB   CYS  65          2HB       CYS  65   0.899  -5.941   1.432
  462    H    HIS  66           H        HIS  66   1.120  -9.394   2.986
  463    HA   HIS  66           HA       HIS  66   4.066  -9.369   2.888
  464   1HB   HIS  66          1HB       HIS  66   2.174 -10.950   4.679
  465   2HB   HIS  66          2HB       HIS  66   3.910 -10.758   4.880
  466    HD1  HIS  66           HND      HIS  66   4.647  -7.978   5.295
  467    HD2  HIS  66           HD       HIS  66   0.653  -9.176   5.943
  468    HE1  HIS  66           HE       HIS  66   3.605  -6.332   6.904
  469    H    ILE  67           H        ILE  67   5.191 -10.929   1.738
  470    HA   ILE  67           HA       ILE  67   3.626 -13.129   0.499
  471    HB   ILE  67           HB       ILE  67   6.522 -12.294   0.151
  472   1HG1  ILE  67          1HG1      ILE  67   5.079 -10.515  -0.655
  473   2HG1  ILE  67          2HG1      ILE  67   5.810 -11.368  -2.008
  474   1HG2  ILE  67          1HG2      ILE  67   6.374 -13.718  -1.908
  475   2HG2  ILE  67          2HG2      ILE  67   6.253 -14.636  -0.401
  476   3HG2  ILE  67          3HG2      ILE  67   4.793 -14.309  -1.349
  477   1HD1  ILE  67          1HD1      ILE  67   3.651 -12.604  -2.364
  478   2HD1  ILE  67          2HD1      ILE  67   2.926 -11.653  -1.044
  479   3HD1  ILE  67          3HD1      ILE  67   3.495 -10.851  -2.509
  480    H    LYS  68           H        LYS  68   3.168 -14.716   1.981
  481    HA   LYS  68           HA       LYS  68   5.309 -16.163   3.255
  482   1HB   LYS  68          1HB       LYS  68   4.646 -14.208   4.855
  483   2HB   LYS  68          2HB       LYS  68   3.038 -14.943   4.879
  484   1HG   LYS  68          1HG       LYS  68   4.599 -17.130   5.461
  485   2HG   LYS  68          2HG       LYS  68   5.621 -15.844   6.114
  486   1HD   LYS  68          1HD       LYS  68   3.697 -15.041   7.480
  487   2HD   LYS  68          2HD       LYS  68   2.666 -16.295   6.740
  488   1HE   LYS  68          1HE       LYS  68   4.276 -18.049   7.632
  489   2HE   LYS  68          2HE       LYS  68   5.113 -16.762   8.517
  490   1HZ   LYS  68          1HZ       LYS  68   2.294 -17.566   8.846
  491   2HZ   LYS  68          2HZ       LYS  68   3.522 -17.907   9.883
  492   3HZ   LYS  68          3HZ       LYS  68   3.029 -16.349   9.678
  493    HHA  HEC  69           HCM      HEC  69   8.373   7.114  -2.257
  494    HHB  HEC  69           HDM      HEC  69   6.392  10.611  -7.212
  495    HHC  HEC  69           HAM      HEC  69   1.022   7.122  -7.432
  496    HHD  HEC  69           HBM      HEC  69   2.536   4.770  -1.684
  497   1HMA  HEC  69          HM81      HEC  69   9.856  10.826  -5.849
  498   2HMA  HEC  69          HM82      HEC  69   8.912  10.300  -7.230
  499   3HMA  HEC  69          HM83      HEC  69   8.343  11.663  -6.228
  500   1HAA  HEC  69          HP71      HEC  69  10.357   9.988  -3.918
  501   2HAA  HEC  69          HP72      HEC  69   9.869   8.837  -2.705
  502   1HBA  HEC  69          HP73      HEC  69  11.802   8.001  -3.909
  503   2HBA  HEC  69          HP74      HEC  69  10.407   6.971  -4.259
  504   1HMB  HEC  69          HM11      HEC  69   3.498  11.634  -9.068
  505   2HMB  HEC  69          HM12      HEC  69   5.203  11.493  -8.710
  506   3HMB  HEC  69          HM13      HEC  69   4.529  10.560 -10.051
  507    HAB  HEC  69          HT2A      HEC  69   0.846   8.637  -8.882
  508   1HBB  HEC  69          HT21      HEC  69   2.344   8.942 -10.898
  509   2HBB  HEC  69          HT22      HEC  69   0.761   9.726 -10.918
  510   3HBB  HEC  69          HT23      HEC  69   2.200  10.691 -10.617
  511   1HMC  HEC  69          HM31      HEC  69  -1.358   5.152  -5.334
  512   2HMC  HEC  69          HM32      HEC  69  -0.933   6.627  -6.189
  513   3HMC  HEC  69          HM33      HEC  69  -0.430   5.043  -6.838
  514    HAC  HEC  69          HT4A      HEC  69   0.489   4.509  -1.969
  515   1HBC  HEC  69          HT41      HEC  69   0.363   2.590  -3.622
  516   2HBC  HEC  69          HT42      HEC  69  -1.021   2.777  -2.532
  517   3HBC  HEC  69          HT43      HEC  69  -1.155   3.299  -4.207
  518   1HMD  HEC  69          HM51      HEC  69   4.115   3.517  -0.393
  519   2HMD  HEC  69          HM52      HEC  69   5.322   4.153   0.740
  520   3HMD  HEC  69          HM53      HEC  69   3.745   4.965   0.563
  521   1HAD  HEC  69          HP61      HEC  69   8.132   6.547  -0.274
  522   2HAD  HEC  69          HP62      HEC  69   6.943   5.924   0.837
  523   1HBD  HEC  69          HP63      HEC  69   8.731   4.418   0.888
  524   2HBD  HEC  69          HP64      HEC  69   7.500   3.632  -0.110
  525    HHA  HEC  70           HCM      HEC  70  -4.017  -4.979  -6.277
  526    HHB  HEC  70           HDM      HEC  70   0.084  -4.249  -1.445
  527    HHC  HEC  70           HAM      HEC  70  -2.266   1.549  -0.313
  528    HHD  HEC  70           HBM      HEC  70  -6.559   0.707  -4.954
  529   1HMA  HEC  70          HM81      HEC  70   0.756  -6.187  -3.115
  530   2HMA  HEC  70          HM82      HEC  70  -0.397  -6.599  -1.819
  531   3HMA  HEC  70          HM83      HEC  70  -0.439  -7.487  -3.339
  532   1HAA  HEC  70          HP71      HEC  70  -2.488  -6.560  -6.398
  533   2HAA  HEC  70          HP72      HEC  70  -1.156  -7.257  -5.508
  534   1HBA  HEC  70          HP73      HEC  70  -2.903  -8.860  -5.517
  535   2HBA  HEC  70          HP74      HEC  70  -2.811  -8.226  -3.872
  536   1HMB  HEC  70          HM11      HEC  70   1.618  -1.842   0.977
  537   2HMB  HEC  70          HM12      HEC  70   0.464  -3.181   1.112
  538   3HMB  HEC  70          HM13      HEC  70   1.618  -3.133  -0.230
  539    HAB  HEC  70          HT2A      HEC  70  -0.783   1.281   1.029
  540   1HBB  HEC  70          HT21      HEC  70   2.066   0.318   0.731
  541   2HBB  HEC  70          HT22      HEC  70   1.291   1.566  -0.256
  542   3HBB  HEC  70          HT23      HEC  70   1.465   1.800   1.487
  543   1HMC  HEC  70          HM31      HEC  70  -4.617   4.249  -1.698
  544   2HMC  HEC  70          HM32      HEC  70  -4.357   3.319  -0.208
  545   3HMC  HEC  70          HM33      HEC  70  -2.997   3.687  -1.287
  546    HAC  HEC  70          HT4A      HEC  70  -7.442   1.803  -3.207
  547   1HBC  HEC  70          HT41      HEC  70  -6.691   3.365  -4.903
  548   2HBC  HEC  70          HT42      HEC  70  -7.809   4.182  -3.807
  549   3HBC  HEC  70          HT43      HEC  70  -6.063   4.474  -3.658
  550   1HMD  HEC  70          HM51      HEC  70  -7.776  -0.222  -6.572
  551   2HMD  HEC  70          HM52      HEC  70  -6.623  -0.288  -7.932
  552   3HMD  HEC  70          HM53      HEC  70  -7.797  -1.577  -7.694
  553   1HAD  HEC  70          HP61      HEC  70  -5.869  -4.697  -7.602
  554   2HAD  HEC  70          HP62      HEC  70  -6.732  -3.357  -8.334
  555   1HBD  HEC  70          HP63      HEC  70  -4.066  -2.591  -8.630
  556   2HBD  HEC  70          HP64      HEC  70  -4.010  -4.337  -8.873
  557    HHA  HEC  71           HCM      HEC  71   3.805  -3.830   8.960
  558    HHB  HEC  71           HDM      HEC  71   0.760  -8.932  11.383
  559    HHC  HEC  71           HAM      HEC  71  -2.716  -9.332   6.047
  560    HHD  HEC  71           HBM      HEC  71   0.000  -4.016   3.883
  561   1HMA  HEC  71          HM81      HEC  71   1.761  -7.817  13.060
  562   2HMA  HEC  71          HM82      HEC  71   3.507  -8.055  12.756
  563   3HMA  HEC  71          HM83      HEC  71   2.898  -6.504  13.339
  564   1HAA  HEC  71          HP71      HEC  71   5.049  -4.641  10.577
  565   2HAA  HEC  71          HP72      HEC  71   4.690  -5.291  12.185
  566   1HBA  HEC  71          HP73      HEC  71   5.344  -7.520  11.444
  567   2HBA  HEC  71          HP74      HEC  71   5.581  -6.921   9.791
  568   1HMB  HEC  71          HM11      HEC  71  -1.606 -11.776  10.558
  569   2HMB  HEC  71          HM12      HEC  71  -0.020 -11.171  11.031
  570   3HMB  HEC  71          HM13      HEC  71  -1.490 -10.414  11.698
  571    HAB  HEC  71          HT2A      HEC  71  -3.823 -10.235   7.658
  572   1HBB  HEC  71          HT21      HEC  71  -5.133 -10.831   9.518
  573   2HBB  HEC  71          HT22      HEC  71  -3.738 -10.859  10.601
  574   3HBB  HEC  71          HT23      HEC  71  -4.263  -9.327   9.871
  575   1HMC  HEC  71          HM31      HEC  71  -4.236  -8.041   4.174
  576   2HMC  HEC  71          HM32      HEC  71  -3.326  -7.921   2.650
  577   3HMC  HEC  71          HM33      HEC  71  -2.957  -9.214   3.778
  578    HAC  HEC  71          HT4A      HEC  71  -1.510  -4.450   2.571
  579   1HBC  HEC  71          HT41      HEC  71  -3.834  -4.372   3.279
  580   2HBC  HEC  71          HT42      HEC  71  -3.634  -4.472   1.517
  581   3HBC  HEC  71          HT43      HEC  71  -4.159  -5.892   2.425
  582   1HMD  HEC  71          HM51      HEC  71   1.472  -1.309   4.490
  583   2HMD  HEC  71          HM52      HEC  71   3.070  -1.958   4.151
  584   3HMD  HEC  71          HM53      HEC  71   1.643  -2.690   3.403
  585   1HAD  HEC  71          HP61      HEC  71   3.740  -1.198   6.212
  586   2HAD  HEC  71          HP62      HEC  71   3.685  -1.721   7.880
  587   1HBD  HEC  71          HP63      HEC  71   5.052  -3.763   7.029
  588   2HBD  HEC  71          HP64      HEC  71   5.418  -2.729   5.666
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1  10.523  -1.912 -11.305
    2   2H    ALA   1          2H        ALA   1  12.070  -2.315 -10.888
    3   3H    ALA   1          3H        ALA   1  10.851  -2.363  -9.771
    4    HA   ALA   1           HA       ALA   1  12.146  -0.447  -9.314
    5   1HB   ALA   1          1HB       ALA   1  12.313   1.348 -11.019
    6   2HB   ALA   1          2HB       ALA   1  13.127  -0.137 -11.544
    7   3HB   ALA   1          3HB       ALA   1  11.543   0.291 -12.220
    8    H    ASP   2           H        ASP   2   9.532  -0.265 -11.607
    9    HA   ASP   2           HA       ASP   2   7.300   0.771 -10.222
   10   1HB   ASP   2          1HB       ASP   2   6.239  -0.794 -11.920
   11   2HB   ASP   2          2HB       ASP   2   7.361   0.384 -12.611
   12    H    VAL   3           H        VAL   3   8.580  -0.414  -8.117
   13    HA   VAL   3           HA       VAL   3   6.691  -1.870  -6.872
   14    HB   VAL   3           HB       VAL   3   6.954  -3.854  -8.205
   15   1HG1  VAL   3          1HG1      VAL   3   9.957  -3.719  -7.679
   16   2HG1  VAL   3          2HG1      VAL   3   9.095  -5.048  -8.473
   17   3HG1  VAL   3          3HG1      VAL   3   9.146  -3.465  -9.245
   18   1HG2  VAL   3          1HG2      VAL   3   6.717  -4.233  -5.793
   19   2HG2  VAL   3          2HG2      VAL   3   7.573  -5.528  -6.637
   20   3HG2  VAL   3          3HG2      VAL   3   8.484  -4.378  -5.648
   21    H    VAL   4           H        VAL   4   7.184  -1.947  -4.670
   22    HA   VAL   4           HA       VAL   4  10.023  -1.657  -3.837
   23    HB   VAL   4           HB       VAL   4   7.685  -0.025  -2.797
   24   1HG1  VAL   4          1HG1      VAL   4  10.518  -0.374  -1.685
   25   2HG1  VAL   4          2HG1      VAL   4   9.441   0.960  -1.232
   26   3HG1  VAL   4          3HG1      VAL   4   9.008  -0.694  -0.827
   27   1HG2  VAL   4          1HG2      VAL   4   9.131   1.892  -3.366
   28   2HG2  VAL   4          2HG2      VAL   4  10.339   0.775  -4.040
   29   3HG2  VAL   4          3HG2      VAL   4   8.737   0.931  -4.801
   30    H    THR   5           H        THR   5  10.325  -2.506  -1.664
   31    HA   THR   5           HA       THR   5   7.962  -3.528  -0.449
   32    HB   THR   5           HB       THR   5   8.784  -5.618  -1.241
   33    HG1  THR   5           HG1      THR   5  10.320  -5.279   1.075
   34   1HG2  THR   5          1HG2      THR   5  11.201  -6.315  -1.118
   35   2HG2  THR   5          2HG2      THR   5  10.865  -5.033  -2.285
   36   3HG2  THR   5          3HG2      THR   5  11.614  -4.639  -0.723
   37    H    TYR   6           H        TYR   6   7.884  -3.393   1.659
   38    HA   TYR   6           HA       TYR   6   9.651  -1.539   3.015
   39   1HB   TYR   6          1HB       TYR   6   7.397  -3.269   4.070
   40   2HB   TYR   6          2HB       TYR   6   8.208  -2.014   4.988
   41    HD1  TYR   6           HD1      TYR   6   5.343  -2.637   3.118
   42    HD2  TYR   6           HD2      TYR   6   8.405   0.357   3.577
   43    HE1  TYR   6           HE1      TYR   6   3.932  -0.999   1.946
   44    HE2  TYR   6           HE2      TYR   6   6.997   1.971   2.368
   45    HH   TYR   6           HH       TYR   6   4.927   2.382   1.488
   46    H    GLU   7           H        GLU   7   9.465  -5.029   2.822
   47    HA   GLU   7           HA       GLU   7  10.592  -6.728   3.677
   48   1HB   GLU   7          1HB       GLU   7  12.759  -4.732   3.956
   49   2HB   GLU   7          2HB       GLU   7  12.915  -6.503   3.959
   50   1HG   GLU   7          1HG       GLU   7  11.903  -6.482   1.615
   51   2HG   GLU   7          2HG       GLU   7  12.065  -4.695   1.659
   52    H    ASN   8           H        ASN   8   9.358  -7.117   5.419
   53    HA   ASN   8           HA       ASN   8  10.022  -5.907   8.060
   54   1HB   ASN   8          1HB       ASN   8   7.494  -7.448   7.496
   55   2HB   ASN   8          2HB       ASN   8   7.790  -6.126   8.631
   56   1HD2  ASN   8          1HD2      ASN   8   6.588  -6.951   5.507
   57   2HD2  ASN   8          2HD2      ASN   8   6.379  -5.284   4.964
   58    H    LYS   9           H        LYS   9   9.296  -7.538   9.966
   59    HA   LYS   9           HA       LYS   9  11.083  -9.862   9.669
   60   1HB   LYS   9          1HB       LYS   9  11.184  -8.399  11.660
   61   2HB   LYS   9          2HB       LYS   9   9.513  -8.761  12.042
   62   1HG   LYS   9          1HG       LYS   9   9.969 -10.718  12.987
   63   2HG   LYS   9          2HG       LYS   9  11.030 -11.260  11.702
   64   1HD   LYS   9          1HD       LYS   9  11.797  -9.282  13.908
   65   2HD   LYS   9          2HD       LYS   9  12.124 -11.010  13.991
   66   1HE   LYS   9          1HE       LYS   9  13.258  -9.076  11.892
   67   2HE   LYS   9          2HE       LYS   9  14.119  -9.716  13.293
   68   1HZ   LYS   9          1HZ       LYS   9  13.084 -11.306  11.043
   69   2HZ   LYS   9          2HZ       LYS   9  14.655 -10.931  11.329
   70   3HZ   LYS   9          3HZ       LYS   9  13.851 -11.925  12.364
   71    H    LYS  10           H        LYS  10   7.691  -9.010  10.285
   72    HA   LYS  10           HA       LYS  10   6.485 -11.580  10.386
   73   1HB   LYS  10          1HB       LYS  10   5.075  -9.820  10.824
   74   2HB   LYS  10          2HB       LYS  10   5.758  -8.863   9.485
   75   1HG   LYS  10          1HG       LYS  10   3.418  -9.220   9.234
   76   2HG   LYS  10          2HG       LYS  10   4.407  -9.689   7.881
   77   1HD   LYS  10          1HD       LYS  10   2.524 -11.232   8.284
   78   2HD   LYS  10          2HD       LYS  10   4.089 -12.034   8.243
   79   1HE   LYS  10          1HE       LYS  10   4.126 -12.031  10.771
   80   2HE   LYS  10          2HE       LYS  10   2.507 -11.311  10.755
   81   1HZ   LYS  10          1HZ       LYS  10   3.269 -13.925   9.617
   82   2HZ   LYS  10          2HZ       LYS  10   2.439 -13.695  11.018
   83   3HZ   LYS  10          3HZ       LYS  10   1.752 -13.292   9.576
   84    H    GLY  11           H        GLY  11   7.184  -9.586   7.497
   85   1HA   GLY  11          1HA       GLY  11   7.992 -11.608   5.771
   86   2HA   GLY  11          2HA       GLY  11   6.220 -11.529   5.616
   87    H    ASN  12           H        ASN  12   8.680 -10.599   3.947
   88    HA   ASN  12           HA       ASN  12   8.724  -7.791   3.612
   89   1HB   ASN  12          1HB       ASN  12   9.018  -9.992   1.530
   90   2HB   ASN  12          2HB       ASN  12   9.426  -8.300   1.286
   91   1HD2  ASN  12          1HD2      ASN  12  10.370  -9.146   4.526
   92   2HD2  ASN  12          2HD2      ASN  12  12.036  -9.456   4.097
   93    H    VAL  13           H        VAL  13   7.248  -6.406   2.861
   94    HA   VAL  13           HA       VAL  13   4.705  -7.390   1.671
   95    HB   VAL  13           HB       VAL  13   5.585  -4.800   2.961
   96   1HG1  VAL  13          1HG1      VAL  13   3.337  -5.301   1.001
   97   2HG1  VAL  13          2HG1      VAL  13   3.027  -4.237   2.374
   98   3HG1  VAL  13          3HG1      VAL  13   4.326  -3.844   1.238
   99   1HG2  VAL  13          1HG2      VAL  13   4.732  -6.753   4.289
  100   2HG2  VAL  13          2HG2      VAL  13   3.810  -5.260   4.490
  101   3HG2  VAL  13          3HG2      VAL  13   3.166  -6.576   3.476
  102    H    THR  14           H        THR  14   5.081  -7.731  -0.502
  103    HA   THR  14           HA       THR  14   6.710  -5.782  -2.034
  104    HB   THR  14           HB       THR  14   5.074  -8.140  -3.032
  105    HG1  THR  14           HG1      THR  14   7.703  -7.926  -2.016
  106   1HG2  THR  14          1HG2      THR  14   6.657  -8.025  -4.938
  107   2HG2  THR  14          2HG2      THR  14   5.735  -6.520  -4.789
  108   3HG2  THR  14          3HG2      THR  14   7.421  -6.589  -4.227
  109    H    PHE  15           H        PHE  15   5.791  -4.013  -3.068
  110    HA   PHE  15           HA       PHE  15   2.913  -4.127  -3.698
  111   1HB   PHE  15          1HB       PHE  15   2.374  -2.081  -2.612
  112   2HB   PHE  15          2HB       PHE  15   3.074  -3.186  -1.434
  113    HD1  PHE  15           HD1      PHE  15   5.519  -2.841  -0.719
  114    HD2  PHE  15           HD2      PHE  15   3.235   0.101  -2.901
  115    HE1  PHE  15           HE1      PHE  15   6.928  -1.032   0.222
  116    HE2  PHE  15           HE2      PHE  15   4.650   1.892  -1.964
  117    HZ   PHE  15           HZ       PHE  15   6.480   1.323  -0.372
  118    H    ASP  16           H        ASP  16   2.396  -3.034  -5.519
  119    HA   ASP  16           HA       ASP  16   4.578  -2.152  -7.215
  120   1HB   ASP  16          1HB       ASP  16   2.420  -3.367  -7.909
  121   2HB   ASP  16          2HB       ASP  16   1.654  -1.780  -7.815
  122    H    HIS  17           H        HIS  17   4.174   0.020  -8.337
  123    HA   HIS  17           HA       HIS  17   3.496   2.191  -6.432
  124   1HB   HIS  17          1HB       HIS  17   5.932   1.630  -6.213
  125   2HB   HIS  17          2HB       HIS  17   6.173   1.975  -7.920
  126    HD1  HIS  17           HND      HIS  17   7.982   3.770  -6.702
  127    HD2  HIS  17           HD       HIS  17   3.872   4.434  -6.176
  128    HE1  HIS  17           HE       HIS  17   7.738   6.100  -5.703
  129    H    LYS  18           H        LYS  18   5.004   1.635  -9.604
  130    HA   LYS  18           HA       LYS  18   3.862   3.656 -11.144
  131   1HB   LYS  18          1HB       LYS  18   5.693   2.326 -11.932
  132   2HB   LYS  18          2HB       LYS  18   4.756   0.823 -11.775
  133   1HG   LYS  18          1HG       LYS  18   3.322   1.366 -13.588
  134   2HG   LYS  18          2HG       LYS  18   3.880   3.041 -13.615
  135   1HD   LYS  18          1HD       LYS  18   6.182   2.192 -14.265
  136   2HD   LYS  18          2HD       LYS  18   5.525   0.551 -14.330
  137   1HE   LYS  18          1HE       LYS  18   4.722   2.948 -16.061
  138   2HE   LYS  18          2HE       LYS  18   5.647   1.529 -16.587
  139   1HZ   LYS  18          1HZ       LYS  18   3.360   1.319 -17.247
  140   2HZ   LYS  18          2HZ       LYS  18   3.579   0.222 -16.035
  141   3HZ   LYS  18          3HZ       LYS  18   2.822   1.649 -15.771
  142    H    ALA  19           H        ALA  19   2.693   0.271 -10.724
  143    HA   ALA  19           HA       ALA  19   0.460   0.448 -12.430
  144   1HB   ALA  19          1HB       ALA  19   0.682  -1.055  -9.824
  145   2HB   ALA  19          2HB       ALA  19  -0.480  -1.403 -11.120
  146   3HB   ALA  19          3HB       ALA  19   1.259  -1.654 -11.414
  147    H    HIS  20           H        HIS  20   0.549   0.937  -8.857
  148    HA   HIS  20           HA       HIS  20  -2.221   1.644  -8.605
  149   1HB   HIS  20          1HB       HIS  20   0.184   2.353  -6.871
  150   2HB   HIS  20          2HB       HIS  20  -1.489   2.795  -6.513
  151    HD1  HIS  20           HND      HIS  20   0.054  -0.679  -7.396
  152    HD2  HIS  20           HD       HIS  20  -2.412   1.300  -4.648
  153    HE1  HIS  20           HE       HIS  20  -0.740  -2.432  -5.753
  154    H    ALA  21           H        ALA  21   0.748   3.419  -9.383
  155    HA   ALA  21           HA       ALA  21  -0.373   6.053  -9.179
  156   1HB   ALA  21          1HB       ALA  21   1.479   6.858 -10.436
  157   2HB   ALA  21          2HB       ALA  21   2.082   5.610  -9.309
  158   3HB   ALA  21          3HB       ALA  21   1.901   5.264 -11.037
  159    H    GLU  22           H        GLU  22  -0.009   3.981 -12.090
  160    HA   GLU  22           HA       GLU  22  -1.303   6.009 -13.733
  161   1HB   GLU  22          1HB       GLU  22  -1.053   4.462 -15.587
  162   2HB   GLU  22          2HB       GLU  22   0.428   4.741 -14.669
  163   1HG   GLU  22          1HG       GLU  22  -0.240   2.464 -13.467
  164   2HG   GLU  22          2HG       GLU  22  -1.251   2.228 -14.894
  165    H    LYS  23           H        LYS  23  -2.328   2.901 -12.309
  166    HA   LYS  23           HA       LYS  23  -4.921   2.741 -13.359
  167   1HB   LYS  23          1HB       LYS  23  -3.787   2.053 -10.614
  168   2HB   LYS  23          2HB       LYS  23  -5.365   1.515 -11.171
  169   1HG   LYS  23          1HG       LYS  23  -2.870   0.947 -12.848
  170   2HG   LYS  23          2HG       LYS  23  -3.228  -0.050 -11.436
  171   1HD   LYS  23          1HD       LYS  23  -5.079   0.500 -13.766
  172   2HD   LYS  23          2HD       LYS  23  -4.042  -0.937 -13.587
  173   1HE   LYS  23          1HE       LYS  23  -5.337  -1.005 -11.175
  174   2HE   LYS  23          2HE       LYS  23  -6.607  -0.236 -12.133
  175   1HZ   LYS  23          1HZ       LYS  23  -5.324  -2.868 -12.539
  176   2HZ   LYS  23          2HZ       LYS  23  -6.749  -2.614 -11.970
  177   3HZ   LYS  23          3HZ       LYS  23  -6.489  -2.252 -13.591
  178    H    LEU  24           H        LEU  24  -3.893   4.317 -10.269
  179    HA   LEU  24           HA       LEU  24  -6.557   5.521  -9.975
  180   1HB   LEU  24          1HB       LEU  24  -3.983   5.738  -8.373
  181   2HB   LEU  24          2HB       LEU  24  -5.474   6.587  -8.000
  182    HG   LEU  24           HG       LEU  24  -4.989   4.588  -6.689
  183   1HD1  LEU  24          1HD1      LEU  24  -7.649   4.612  -8.186
  184   2HD1  LEU  24          2HD1      LEU  24  -7.372   3.829  -6.626
  185   3HD1  LEU  24          3HD1      LEU  24  -7.226   5.591  -6.762
  186   1HD2  LEU  24          1HD2      LEU  24  -4.208   2.972  -8.279
  187   2HD2  LEU  24          2HD2      LEU  24  -5.596   2.358  -7.394
  188   3HD2  LEU  24          3HD2      LEU  24  -5.815   2.911  -9.061
  189    H    GLY  25           H        GLY  25  -3.195   6.788 -10.393
  190   1HA   GLY  25          1HA       GLY  25  -3.294   8.860 -11.901
  191   2HA   GLY  25          2HA       GLY  25  -4.229   9.575 -10.575
  192    H    CYS  26           H        CYS  26  -3.214   9.382  -8.460
  193    HA   CYS  26           HA       CYS  26  -0.561   8.938  -7.752
  194   1HB   CYS  26          1HB       CYS  26  -0.421  11.073  -9.535
  195   2HB   CYS  26          2HB       CYS  26  -0.728  11.907  -8.035
  196    H    ASP  27           H        ASP  27  -3.232  11.149  -7.646
  197    HA   ASP  27           HA       ASP  27  -3.362  12.417  -5.274
  198   1HB   ASP  27          1HB       ASP  27  -5.780  10.945  -6.415
  199   2HB   ASP  27          2HB       ASP  27  -5.698  12.549  -5.695
  200    H    ALA  28           H        ALA  28  -4.271   9.167  -6.098
  201    HA   ALA  28           HA       ALA  28  -5.356   7.877  -4.072
  202   1HB   ALA  28          1HB       ALA  28  -2.853   7.092  -5.616
  203   2HB   ALA  28          2HB       ALA  28  -3.808   5.938  -4.659
  204   3HB   ALA  28          3HB       ALA  28  -4.543   6.778  -6.040
  205    H    CYS  29           H        CYS  29  -1.890   8.677  -4.113
  206    HA   CYS  29           HA       CYS  29  -1.694   8.112  -1.162
  207   1HB   CYS  29          1HB       CYS  29   0.376   7.534  -3.253
  208   2HB   CYS  29          2HB       CYS  29   0.410   7.069  -1.541
  209    H    HIS  30           H        HIS  30  -0.762  10.245  -3.854
  210    HA   HIS  30           HA       HIS  30   0.901  11.900  -1.989
  211   1HB   HIS  30          1HB       HIS  30   1.164  11.404  -4.970
  212   2HB   HIS  30          2HB       HIS  30   2.150  12.506  -4.024
  213    HD1  HIS  30           HND      HIS  30   3.430  11.054  -1.868
  214    HD2  HIS  30           HD       HIS  30   2.412   9.273  -5.471
  215    HE1  HIS  30           HE       HIS  30   5.072   9.013  -2.225
  216    H    GLU  31           H        GLU  31  -1.186  12.895  -1.487
  217    HA   GLU  31           HA       GLU  31  -2.820  14.158  -3.431
  218   1HB   GLU  31          1HB       GLU  31  -2.534  15.371  -0.644
  219   2HB   GLU  31          2HB       GLU  31  -3.939  15.207  -1.694
  220   1HG   GLU  31          1HG       GLU  31  -3.697  12.695  -1.348
  221   2HG   GLU  31          2HG       GLU  31  -2.554  13.054  -0.041
  222    H    GLY  32           H        GLY  32  -0.525  15.599  -1.227
  223   1HA   GLY  32          1HA       GLY  32  -0.465  18.191  -2.569
  224   2HA   GLY  32          2HA       GLY  32   0.515  17.706  -1.176
  225    H    THR  33           H        THR  33   2.139  15.797  -1.852
  226    HA   THR  33           HA       THR  33   3.187  15.871  -4.500
  227    HB   THR  33           HB       THR  33   4.150  17.993  -3.864
  228    HG1  THR  33           HG1      THR  33   6.222  16.066  -3.521
  229   1HG2  THR  33          1HG2      THR  33   5.287  16.660  -1.365
  230   2HG2  THR  33          2HG2      THR  33   5.620  18.307  -1.929
  231   3HG2  THR  33          3HG2      THR  33   3.988  17.874  -1.404
  232    HA   PRO  34           HA       PRO  34   5.049  12.189  -2.501
  233   1HB   PRO  34          1HB       PRO  34   6.930  11.582  -4.339
  234   2HB   PRO  34          2HB       PRO  34   5.218  11.125  -4.520
  235   1HG   PRO  34          1HG       PRO  34   6.660  13.349  -5.870
  236   2HG   PRO  34          2HG       PRO  34   5.325  12.293  -6.463
  237   1HD   PRO  34          1HD       PRO  34   5.007  14.895  -5.551
  238   2HD   PRO  34          2HD       PRO  34   3.717  13.663  -5.571
  239    H    ALA  35           H        ALA  35   6.901  11.825  -1.357
  240    HA   ALA  35           HA       ALA  35   9.430  13.002  -1.673
  241   1HB   ALA  35          1HB       ALA  35   9.500  14.489   0.327
  242   2HB   ALA  35          2HB       ALA  35   8.424  15.135  -0.905
  243   3HB   ALA  35          3HB       ALA  35   7.743  14.309   0.513
  244    H    LYS  36           H        LYS  36   8.527  10.435  -1.350
  245    HA   LYS  36           HA       LYS  36   8.561   8.529  -0.215
  246   1HB   LYS  36          1HB       LYS  36  10.770  10.030   1.090
  247   2HB   LYS  36          2HB       LYS  36  10.023   8.846   2.133
  248   1HG   LYS  36          1HG       LYS  36  10.342   7.267  -0.074
  249   2HG   LYS  36          2HG       LYS  36  11.571   8.481  -0.407
  250   1HD   LYS  36          1HD       LYS  36  12.570   6.640   0.775
  251   2HD   LYS  36          2HD       LYS  36  12.552   8.037   1.861
  252   1HE   LYS  36          1HE       LYS  36  11.276   6.901   3.395
  253   2HE   LYS  36          2HE       LYS  36  10.047   6.579   2.174
  254   1HZ   LYS  36          1HZ       LYS  36  11.410   4.710   1.403
  255   2HZ   LYS  36          2HZ       LYS  36  12.247   4.774   2.850
  256   3HZ   LYS  36          3HZ       LYS  36  10.586   4.537   2.711
  257    H    ILE  37           H        ILE  37   6.761   7.708   0.736
  258    HA   ILE  37           HA       ILE  37   5.421   9.342   2.788
  259    HB   ILE  37           HB       ILE  37   4.520   6.611   1.869
  260   1HG1  ILE  37          1HG1      ILE  37   4.178   9.281   0.464
  261   2HG1  ILE  37          2HG1      ILE  37   4.877   7.771  -0.156
  262   1HG2  ILE  37          1HG2      ILE  37   3.470   7.708   3.882
  263   2HG2  ILE  37          2HG2      ILE  37   3.004   9.071   2.848
  264   3HG2  ILE  37          3HG2      ILE  37   2.332   7.452   2.565
  265   1HD1  ILE  37          1HD1      ILE  37   2.610   6.692   0.075
  266   2HD1  ILE  37          2HD1      ILE  37   1.945   8.293   0.472
  267   3HD1  ILE  37          3HD1      ILE  37   2.673   8.002  -1.107
  268    H    ALA  38           H        ALA  38   6.857   6.198   2.461
  269    HA   ALA  38           HA       ALA  38   7.632   4.589   3.897
  270   1HB   ALA  38          1HB       ALA  38   9.135   6.360   4.692
  271   2HB   ALA  38          2HB       ALA  38   7.952   6.832   5.930
  272   3HB   ALA  38          3HB       ALA  38   8.688   5.220   5.980
  273    H    ILE  39           H        ILE  39   5.494   3.707   3.690
  274    HA   ILE  39           HA       ILE  39   3.519   4.360   5.754
  275    HB   ILE  39           HB       ILE  39   3.294   2.207   3.649
  276   1HG1  ILE  39          1HG1      ILE  39   3.212   5.188   3.425
  277   2HG1  ILE  39          2HG1      ILE  39   3.628   3.956   2.260
  278   1HG2  ILE  39          1HG2      ILE  39   1.188   3.783   5.155
  279   2HG2  ILE  39          2HG2      ILE  39   0.951   2.408   4.033
  280   3HG2  ILE  39          3HG2      ILE  39   1.752   2.162   5.578
  281   1HD1  ILE  39          1HD1      ILE  39   0.856   4.829   3.139
  282   2HD1  ILE  39          2HD1      ILE  39   1.618   5.156   1.578
  283   3HD1  ILE  39          3HD1      ILE  39   1.151   3.498   1.986
  284    H    ASP  40           H        ASP  40   3.859   3.556   7.674
  285    HA   ASP  40           HA       ASP  40   5.466   1.115   8.085
  286   1HB   ASP  40          1HB       ASP  40   5.443   1.824  10.491
  287   2HB   ASP  40          2HB       ASP  40   6.271   2.892   9.392
  288    H    LYS  41           H        LYS  41   4.711  -0.351   9.709
  289    HA   LYS  41           HA       LYS  41   2.286  -1.610   9.448
  290   1HB   LYS  41          1HB       LYS  41   2.604  -2.299  11.886
  291   2HB   LYS  41          2HB       LYS  41   3.825  -2.739  10.762
  292   1HG   LYS  41          1HG       LYS  41   4.951  -0.384  11.669
  293   2HG   LYS  41          2HG       LYS  41   3.971  -0.796  13.060
  294   1HD   LYS  41          1HD       LYS  41   5.934  -2.657  11.606
  295   2HD   LYS  41          2HD       LYS  41   6.432  -1.616  12.913
  296   1HE   LYS  41          1HE       LYS  41   4.212  -3.697  13.224
  297   2HE   LYS  41          2HE       LYS  41   5.922  -4.039  13.539
  298   1HZ   LYS  41          1HZ       LYS  41   5.920  -2.332  15.190
  299   2HZ   LYS  41          2HZ       LYS  41   4.323  -2.010  14.931
  300   3HZ   LYS  41          3HZ       LYS  41   4.787  -3.473  15.531
  301    H    LYS  42           H        LYS  42   3.004   0.949  11.763
  302    HA   LYS  42           HA       LYS  42   0.666   1.324  13.131
  303   1HB   LYS  42          1HB       LYS  42   2.951   2.269  13.487
  304   2HB   LYS  42          2HB       LYS  42   2.702   3.308  12.094
  305   1HG   LYS  42          1HG       LYS  42   0.684   4.285  13.409
  306   2HG   LYS  42          2HG       LYS  42   1.335   3.337  14.757
  307   1HD   LYS  42          1HD       LYS  42   2.452   5.327  15.151
  308   2HD   LYS  42          2HD       LYS  42   3.637   4.541  14.111
  309   1HE   LYS  42          1HE       LYS  42   1.570   6.658  13.302
  310   2HE   LYS  42          2HE       LYS  42   3.315   6.886  13.489
  311   1HZ   LYS  42          1HZ       LYS  42   3.646   5.341  11.634
  312   2HZ   LYS  42          2HZ       LYS  42   2.037   5.250  11.368
  313   3HZ   LYS  42          3HZ       LYS  42   2.801   6.670  11.190
  314    H    SER  43           H        SER  43   1.549   2.826   9.902
  315    HA   SER  43           HA       SER  43  -1.112   4.124   9.823
  316   1HB   SER  43          1HB       SER  43   1.103   4.261   7.771
  317   2HB   SER  43          2HB       SER  43  -0.251   5.375   8.031
  318    HG   SER  43           HG       SER  43   2.107   4.953   9.444
  319    H    ALA  44           H        ALA  44   0.829   1.876   7.903
  320    HA   ALA  44           HA       ALA  44  -0.632   0.950   5.817
  321   1HB   ALA  44          1HB       ALA  44   0.895  -0.700   7.848
  322   2HB   ALA  44          2HB       ALA  44   0.491  -1.171   6.193
  323   3HB   ALA  44          3HB       ALA  44   1.617   0.180   6.498
  324    H    HIS  45           H        HIS  45  -0.858  -0.397   9.140
  325    HA   HIS  45           HA       HIS  45  -3.413  -1.747   8.459
  326   1HB   HIS  45          1HB       HIS  45  -1.317  -2.079  10.633
  327   2HB   HIS  45          2HB       HIS  45  -2.930  -2.747  10.810
  328    HD1  HIS  45           HND      HIS  45  -3.779  -4.521   9.033
  329    HD2  HIS  45           HD       HIS  45   0.333  -3.608   9.034
  330    HE1  HIS  45           HE       HIS  45  -2.612  -6.392   7.788
  331    H    LYS  46           H        LYS  46  -3.288   1.193   8.732
  332    HA   LYS  46           HA       LYS  46  -5.524   1.367  10.694
  333   1HB   LYS  46          1HB       LYS  46  -3.476   2.273  11.692
  334   2HB   LYS  46          2HB       LYS  46  -3.285   3.416  10.368
  335   1HG   LYS  46          1HG       LYS  46  -5.620   3.319  12.331
  336   2HG   LYS  46          2HG       LYS  46  -4.195   4.371  12.447
  337   1HD   LYS  46          1HD       LYS  46  -4.799   5.319  10.178
  338   2HD   LYS  46          2HD       LYS  46  -6.343   4.436  10.308
  339   1HE   LYS  46          1HE       LYS  46  -6.875   5.644  12.388
  340   2HE   LYS  46          2HE       LYS  46  -5.398   6.614  12.202
  341   1HZ   LYS  46          1HZ       LYS  46  -6.278   7.423  10.116
  342   2HZ   LYS  46          2HZ       LYS  46  -7.561   6.438  10.200
  343   3HZ   LYS  46          3HZ       LYS  46  -7.419   7.677  11.282
  344    H    ASP  47           H        ASP  47  -3.870   3.465   8.293
  345    HA   ASP  47           HA       ASP  47  -6.131   3.419   6.504
  346   1HB   ASP  47          1HB       ASP  47  -5.653   5.928   8.138
  347   2HB   ASP  47          2HB       ASP  47  -6.220   6.015   6.483
  348    H    ALA  48           H        ALA  48  -4.399   2.470   5.378
  349    HA   ALA  48           HA       ALA  48  -3.438   4.487   3.538
  350   1HB   ALA  48          1HB       ALA  48  -1.452   4.539   4.870
  351   2HB   ALA  48          2HB       ALA  48  -1.411   2.785   5.041
  352   3HB   ALA  48          3HB       ALA  48  -1.096   3.530   3.454
  353    H    CYS  49           H        CYS  49  -2.300   1.110   3.998
  354    HA   CYS  49           HA       CYS  49  -3.182   0.453   1.342
  355   1HB   CYS  49          1HB       CYS  49  -2.475  -1.536   3.470
  356   2HB   CYS  49          2HB       CYS  49  -2.311  -1.695   1.724
  357    H    LYS  50           H        LYS  50  -4.280  -0.896   4.507
  358    HA   LYS  50           HA       LYS  50  -6.380  -2.357   3.364
  359   1HB   LYS  50          1HB       LYS  50  -5.714  -1.495   6.156
  360   2HB   LYS  50          2HB       LYS  50  -7.315  -2.139   5.873
  361   1HG   LYS  50          1HG       LYS  50  -4.697  -3.565   5.280
  362   2HG   LYS  50          2HG       LYS  50  -5.775  -3.868   6.637
  363   1HD   LYS  50          1HD       LYS  50  -6.342  -4.475   3.699
  364   2HD   LYS  50          2HD       LYS  50  -6.028  -5.618   4.994
  365   1HE   LYS  50          1HE       LYS  50  -8.143  -5.060   6.103
  366   2HE   LYS  50          2HE       LYS  50  -8.468  -3.784   4.914
  367   1HZ   LYS  50          1HZ       LYS  50  -8.288  -6.652   4.188
  368   2HZ   LYS  50          2HZ       LYS  50  -9.665  -5.768   4.409
  369   3HZ   LYS  50          3HZ       LYS  50  -8.646  -5.338   3.217
  370    H    THR  51           H        THR  51  -6.424   1.088   4.014
  371    HA   THR  51           HA       THR  51  -9.320   1.161   4.220
  372    HB   THR  51           HB       THR  51  -7.699   2.719   5.304
  373    HG1  THR  51           HG1      THR  51  -9.154   4.180   5.477
  374   1HG2  THR  51          1HG2      THR  51  -7.892   4.231   2.654
  375   2HG2  THR  51          2HG2      THR  51  -7.118   4.789   4.146
  376   3HG2  THR  51          3HG2      THR  51  -6.427   3.427   3.250
  377    H    CYS  52           H        CYS  52  -6.974   1.248   1.580
  378    HA   CYS  52           HA       CYS  52  -9.148   1.795  -0.406
  379   1HB   CYS  52          1HB       CYS  52  -6.216   1.101  -0.539
  380   2HB   CYS  52          2HB       CYS  52  -7.321   0.745  -1.876
  381    H    HIS  53           H        HIS  53  -6.956  -0.778   0.702
  382    HA   HIS  53           HA       HIS  53  -8.357  -2.906  -0.662
  383   1HB   HIS  53          1HB       HIS  53  -6.070  -2.721   1.328
  384   2HB   HIS  53          2HB       HIS  53  -6.747  -4.262   0.828
  385    HD1  HIS  53           HND      HIS  53  -5.086  -5.314  -0.558
  386    HD2  HIS  53           HD       HIS  53  -5.273  -1.174  -1.248
  387    HE1  HIS  53           HE       HIS  53  -3.358  -4.771  -2.327
  388    H    LYS  54           H        LYS  54 -10.298  -1.618   0.840
  389    HA   LYS  54           HA       LYS  54 -10.699  -2.889   3.438
  390   1HB   LYS  54          1HB       LYS  54 -11.791  -0.639   1.925
  391   2HB   LYS  54          2HB       LYS  54 -13.111  -1.639   2.524
  392   1HG   LYS  54          1HG       LYS  54 -12.499  -1.344   4.791
  393   2HG   LYS  54          2HG       LYS  54 -10.859  -0.826   4.371
  394   1HD   LYS  54          1HD       LYS  54 -11.725   1.218   3.342
  395   2HD   LYS  54          2HD       LYS  54 -13.374   0.800   3.817
  396   1HE   LYS  54          1HE       LYS  54 -12.904   1.139   6.126
  397   2HE   LYS  54          2HE       LYS  54 -11.158   0.939   5.908
  398   1HZ   LYS  54          1HZ       LYS  54 -11.757   3.224   6.281
  399   2HZ   LYS  54          2HZ       LYS  54 -11.009   3.028   4.853
  400   3HZ   LYS  54          3HZ       LYS  54 -12.644   3.267   4.892
  401    H    SER  55           H        SER  55 -12.323  -2.954   0.259
  402    HA   SER  55           HA       SER  55 -12.986  -5.818   0.623
  403   1HB   SER  55          1HB       SER  55 -14.952  -4.301   1.336
  404   2HB   SER  55          2HB       SER  55 -15.053  -3.805  -0.361
  405    HG   SER  55           HG       SER  55 -15.209  -6.477   0.631
  406    H    ASN  56           H        ASN  56 -10.973  -5.633  -0.725
  407    HA   ASN  56           HA       ASN  56 -11.583  -5.073  -3.609
  408   1HB   ASN  56          1HB       ASN  56  -8.985  -4.711  -2.063
  409   2HB   ASN  56          2HB       ASN  56  -9.095  -4.796  -3.825
  410   1HD2  ASN  56          1HD2      ASN  56  -8.076  -2.661  -3.757
  411   2HD2  ASN  56          2HD2      ASN  56  -9.112  -1.257  -3.501
  412    H    ASN  57           H        ASN  57 -11.303  -6.765  -4.874
  413    HA   ASN  57           HA       ASN  57 -11.085  -8.905  -5.567
  414   1HB   ASN  57          1HB       ASN  57  -8.655  -8.991  -3.718
  415   2HB   ASN  57          2HB       ASN  57  -9.020 -10.139  -5.000
  416   1HD2  ASN  57          1HD2      ASN  57  -7.233  -7.364  -4.365
  417   2HD2  ASN  57          2HD2      ASN  57  -7.004  -6.881  -6.035
  418    H    GLY  58           H        GLY  58 -10.754 -11.312  -4.718
  419   1HA   GLY  58          1HA       GLY  58 -12.900 -11.897  -2.916
  420   2HA   GLY  58          2HA       GLY  58 -11.715 -13.042  -3.552
  421    HA   PRO  59           HA       PRO  59  -9.584 -13.018   0.367
  422   1HB   PRO  59          1HB       PRO  59  -6.907 -12.566  -0.131
  423   2HB   PRO  59          2HB       PRO  59  -7.753 -14.090  -0.522
  424   1HG   PRO  59          1HG       PRO  59  -7.206 -11.761  -2.377
  425   2HG   PRO  59          2HG       PRO  59  -6.890 -13.497  -2.677
  426   1HD   PRO  59          1HD       PRO  59  -9.101 -12.298  -3.627
  427   2HD   PRO  59          2HD       PRO  59  -9.219 -13.945  -2.956
  428    H    THR  60           H        THR  60  -8.405 -11.604   1.896
  429    HA   THR  60           HA       THR  60  -8.466  -8.742   1.572
  430    HB   THR  60           HB       THR  60 -11.062 -10.155   1.952
  431    HG1  THR  60           HG1      THR  60 -10.409  -8.826   0.149
  432   1HG2  THR  60          1HG2      THR  60 -10.958  -9.108   4.188
  433   2HG2  THR  60          2HG2      THR  60 -10.589  -7.540   3.417
  434   3HG2  THR  60          3HG2      THR  60 -12.140  -8.330   3.128
  435    H    LYS  61           H        LYS  61  -8.587 -11.507   3.807
  436    HA   LYS  61           HA       LYS  61  -7.720 -10.048   6.119
  437   1HB   LYS  61          1HB       LYS  61  -7.451 -12.983   5.323
  438   2HB   LYS  61          2HB       LYS  61  -7.036 -12.304   6.910
  439   1HG   LYS  61          1HG       LYS  61  -9.403 -11.564   7.179
  440   2HG   LYS  61          2HG       LYS  61  -9.802 -12.324   5.626
  441   1HD   LYS  61          1HD       LYS  61  -8.985 -14.519   6.518
  442   2HD   LYS  61          2HD       LYS  61  -8.670 -13.740   8.083
  443   1HE   LYS  61          1HE       LYS  61 -11.104 -13.140   8.248
  444   2HE   LYS  61          2HE       LYS  61 -11.400 -13.959   6.705
  445   1HZ   LYS  61          1HZ       LYS  61 -11.944 -15.353   8.555
  446   2HZ   LYS  61          2HZ       LYS  61 -10.687 -16.015   7.736
  447   3HZ   LYS  61          3HZ       LYS  61 -10.426 -15.252   9.171
  448    H    CYS  62           H        CYS  62  -5.501 -12.581   5.038
  449    HA   CYS  62           HA       CYS  62  -3.407 -10.513   4.678
  450   1HB   CYS  62          1HB       CYS  62  -2.723 -13.266   5.531
  451   2HB   CYS  62          2HB       CYS  62  -1.859 -11.734   5.774
  452    H    GLY  63           H        GLY  63  -1.359 -12.001   3.750
  453   1HA   GLY  63          1HA       GLY  63  -0.555 -13.187   1.927
  454   2HA   GLY  63          2HA       GLY  63  -2.207 -13.535   1.401
  455    H    GLY  64           H        GLY  64  -3.188 -10.910   1.299
  456   1HA   GLY  64          1HA       GLY  64  -2.876 -10.029  -1.221
  457   2HA   GLY  64          2HA       GLY  64  -3.250  -8.950   0.136
  458    H    CYS  65           H        CYS  65  -0.582  -9.277   1.361
  459    HA   CYS  65           HA       CYS  65   0.981  -7.461  -0.443
  460   1HB   CYS  65          1HB       CYS  65   0.352  -7.038   2.461
  461   2HB   CYS  65          2HB       CYS  65   1.202  -5.911   1.402
  462    H    HIS  66           H        HIS  66   1.073  -9.135   2.748
  463    HA   HIS  66           HA       HIS  66   3.945  -9.326   2.801
  464   1HB   HIS  66          1HB       HIS  66   1.839 -10.998   4.230
  465   2HB   HIS  66          2HB       HIS  66   3.554 -11.061   4.542
  466    HD1  HIS  66           HND      HIS  66   4.679  -8.644   5.493
  467    HD2  HIS  66           HD       HIS  66   0.477  -9.028   5.477
  468    HE1  HIS  66           HE       HIS  66   3.701  -6.809   7.006
  469    H    ILE  67           H        ILE  67   5.139 -10.580   1.405
  470    HA   ILE  67           HA       ILE  67   3.907 -12.957   0.137
  471    HB   ILE  67           HB       ILE  67   6.781 -12.002  -0.028
  472   1HG1  ILE  67          1HG1      ILE  67   5.481 -10.125  -0.754
  473   2HG1  ILE  67          2HG1      ILE  67   6.140 -10.939  -2.168
  474   1HG2  ILE  67          1HG2      ILE  67   5.085 -13.804  -1.819
  475   2HG2  ILE  67          2HG2      ILE  67   6.717 -13.223  -2.205
  476   3HG2  ILE  67          3HG2      ILE  67   6.464 -14.299  -0.831
  477   1HD1  ILE  67          1HD1      ILE  67   3.918 -11.998  -2.595
  478   2HD1  ILE  67          2HD1      ILE  67   3.254 -11.137  -1.186
  479   3HD1  ILE  67          3HD1      ILE  67   3.846 -10.232  -2.579
  480    H    LYS  68           H        LYS  68   3.430 -13.529   2.589
  481    HA   LYS  68           HA       LYS  68   4.995 -15.797   3.141
  482   1HB   LYS  68          1HB       LYS  68   6.231 -13.602   4.256
  483   2HB   LYS  68          2HB       LYS  68   5.041 -13.927   5.512
  484   1HG   LYS  68          1HG       LYS  68   7.245 -15.736   4.456
  485   2HG   LYS  68          2HG       LYS  68   7.089 -15.031   6.078
  486   1HD   LYS  68          1HD       LYS  68   4.963 -16.402   6.368
  487   2HD   LYS  68          2HD       LYS  68   5.338 -17.194   4.828
  488   1HE   LYS  68          1HE       LYS  68   7.549 -17.927   5.778
  489   2HE   LYS  68          2HE       LYS  68   7.022 -17.302   7.354
  490   1HZ   LYS  68          1HZ       LYS  68   5.665 -19.391   5.771
  491   2HZ   LYS  68          2HZ       LYS  68   6.555 -19.644   7.133
  492   3HZ   LYS  68          3HZ       LYS  68   5.133 -18.813   7.211
  493    HHA  HEC  69           HCM      HEC  69   8.618   7.278  -2.321
  494    HHB  HEC  69           HDM      HEC  69   6.752  10.466  -7.422
  495    HHC  HEC  69           HAM      HEC  69   1.287   7.140  -7.594
  496    HHD  HEC  69           HBM      HEC  69   2.834   4.571  -1.966
  497   1HMA  HEC  69          HM81      HEC  69  10.153  10.787  -5.861
  498   2HMA  HEC  69          HM82      HEC  69   9.197  10.390  -7.289
  499   3HMA  HEC  69          HM83      HEC  69   8.661  11.686  -6.190
  500   1HAA  HEC  69          HP71      HEC  69  10.262  10.354  -3.609
  501   2HAA  HEC  69          HP72      HEC  69   9.979   9.000  -2.543
  502   1HBA  HEC  69          HP73      HEC  69  11.106   7.477  -4.029
  503   2HBA  HEC  69          HP74      HEC  69  11.190   8.697  -5.308
  504   1HMB  HEC  69          HM11      HEC  69   4.699  10.134 -10.488
  505   2HMB  HEC  69          HM12      HEC  69   4.503  11.471  -9.316
  506   3HMB  HEC  69          HM13      HEC  69   6.033  10.578  -9.457
  507    HAB  HEC  69          HT2A      HEC  69   1.186   8.660  -9.107
  508   1HBB  HEC  69          HT21      HEC  69   2.614   9.213 -11.130
  509   2HBB  HEC  69          HT22      HEC  69   1.094  10.084 -10.970
  510   3HBB  HEC  69          HT23      HEC  69   2.582  10.908 -10.556
  511   1HMC  HEC  69          HM31      HEC  69  -0.154   4.930  -6.952
  512   2HMC  HEC  69          HM32      HEC  69  -1.115   5.121  -5.484
  513   3HMC  HEC  69          HM33      HEC  69  -0.678   6.543  -6.427
  514    HAC  HEC  69          HT4A      HEC  69   0.778   4.466  -2.124
  515   1HBC  HEC  69          HT41      HEC  69   0.716   2.519  -3.679
  516   2HBC  HEC  69          HT42      HEC  69  -0.747   2.726  -2.699
  517   3HBC  HEC  69          HT43      HEC  69  -0.750   3.200  -4.399
  518   1HMD  HEC  69          HM51      HEC  69   5.369   4.637   0.821
  519   2HMD  HEC  69          HM52      HEC  69   3.755   4.667   0.094
  520   3HMD  HEC  69          HM53      HEC  69   4.878   3.353  -0.314
  521   1HAD  HEC  69          HP61      HEC  69   8.693   5.799  -0.816
  522   2HAD  HEC  69          HP62      HEC  69   7.589   5.895   0.550
  523   1HBD  HEC  69          HP63      HEC  69   7.234   3.455   0.382
  524   2HBD  HEC  69          HP64      HEC  69   8.265   3.413  -1.061
  525    HHA  HEC  70           HCM      HEC  70  -3.565  -5.012  -6.468
  526    HHB  HEC  70           HDM      HEC  70   0.512  -4.245  -1.585
  527    HHC  HEC  70           HAM      HEC  70  -2.028   1.492  -0.415
  528    HHD  HEC  70           HBM      HEC  70  -6.356   0.509  -4.968
  529   1HMA  HEC  70          HM81      HEC  70   0.203  -7.370  -3.660
  530   2HMA  HEC  70          HM82      HEC  70   1.422  -6.136  -4.040
  531   3HMA  HEC  70          HM83      HEC  70   0.764  -6.286  -2.400
  532   1HAA  HEC  70          HP71      HEC  70  -1.851  -6.484  -6.755
  533   2HAA  HEC  70          HP72      HEC  70  -0.645  -7.306  -5.791
  534   1HBA  HEC  70          HP73      HEC  70  -2.373  -8.088  -4.222
  535   2HBA  HEC  70          HP74      HEC  70  -3.610  -7.214  -5.136
  536   1HMB  HEC  70          HM11      HEC  70   0.908  -2.416   1.630
  537   2HMB  HEC  70          HM12      HEC  70   0.976  -3.735   0.480
  538   3HMB  HEC  70          HM13      HEC  70   2.069  -2.342   0.303
  539    HAB  HEC  70          HT2A      HEC  70  -0.630   1.188   1.047
  540   1HBB  HEC  70          HT21      HEC  70   1.641   1.135   0.176
  541   2HBB  HEC  70          HT22      HEC  70   1.621   1.276   1.945
  542   3HBB  HEC  70          HT23      HEC  70   2.006  -0.261   1.190
  543   1HMC  HEC  70          HM31      HEC  70  -4.163   3.130  -0.228
  544   2HMC  HEC  70          HM32      HEC  70  -2.771   3.564  -1.251
  545   3HMC  HEC  70          HM33      HEC  70  -4.385   4.136  -1.656
  546    HAC  HEC  70          HT4A      HEC  70  -7.040   2.094  -3.735
  547   1HBC  HEC  70          HT41      HEC  70  -6.972   4.414  -4.255
  548   2HBC  HEC  70          HT42      HEC  70  -5.348   4.594  -3.562
  549   3HBC  HEC  70          HT43      HEC  70  -5.596   3.543  -4.976
  550   1HMD  HEC  70          HM51      HEC  70  -7.204  -1.527  -7.985
  551   2HMD  HEC  70          HM52      HEC  70  -7.987  -1.175  -6.426
  552   3HMD  HEC  70          HM53      HEC  70  -6.808  -0.038  -7.127
  553   1HAD  HEC  70          HP61      HEC  70  -5.643  -4.924  -7.494
  554   2HAD  HEC  70          HP62      HEC  70  -6.760  -3.690  -8.029
  555   1HBD  HEC  70          HP63      HEC  70  -4.464  -2.545  -8.884
  556   2HBD  HEC  70          HP64      HEC  70  -3.932  -4.229  -8.901
  557    HHA  HEC  71           HCM      HEC  71   4.098  -4.371   9.042
  558    HHB  HEC  71           HDM      HEC  71   0.433  -9.110  11.040
  559    HHC  HEC  71           HAM      HEC  71  -2.869  -8.819   5.590
  560    HHD  HEC  71           HBM      HEC  71   0.519  -3.791   3.756
  561   1HMA  HEC  71          HM81      HEC  71   1.575  -7.854  13.023
  562   2HMA  HEC  71          HM82      HEC  71   2.594  -9.048  12.180
  563   3HMA  HEC  71          HM83      HEC  71   3.337  -7.666  12.982
  564   1HAA  HEC  71          HP71      HEC  71   4.766  -4.782  11.037
  565   2HAA  HEC  71          HP72      HEC  71   4.400  -5.828  12.402
  566   1HBA  HEC  71          HP73      HEC  71   5.175  -7.728  11.221
  567   2HBA  HEC  71          HP74      HEC  71   5.523  -6.746   9.759
  568   1HMB  HEC  71          HM11      HEC  71  -1.975 -10.481  11.126
  569   2HMB  HEC  71          HM12      HEC  71  -2.033 -11.766   9.892
  570   3HMB  HEC  71          HM13      HEC  71  -0.477 -11.243  10.541
  571    HAB  HEC  71          HT2A      HEC  71  -4.035  -9.854   7.033
  572   1HBB  HEC  71          HT21      HEC  71  -4.499  -9.101   9.316
  573   2HBB  HEC  71          HT22      HEC  71  -5.474 -10.484   8.787
  574   3HBB  HEC  71          HT23      HEC  71  -4.135 -10.735   9.912
  575   1HMC  HEC  71          HM31      HEC  71  -3.099  -7.377   2.216
  576   2HMC  HEC  71          HM32      HEC  71  -2.770  -8.732   3.289
  577   3HMC  HEC  71          HM33      HEC  71  -4.055  -7.578   3.705
  578    HAC  HEC  71          HT4A      HEC  71  -1.010  -4.048   2.357
  579   1HBC  HEC  71          HT41      HEC  71  -3.135  -3.866   1.257
  580   2HBC  HEC  71          HT42      HEC  71  -3.778  -5.257   2.138
  581   3HBC  HEC  71          HT43      HEC  71  -3.346  -3.784   3.020
  582   1HMD  HEC  71          HM51      HEC  71   1.504  -1.736   4.187
  583   2HMD  HEC  71          HM52      HEC  71   3.056  -1.200   4.830
  584   3HMD  HEC  71          HM53      HEC  71   3.003  -2.473   3.609
  585   1HAD  HEC  71          HP61      HEC  71   5.144  -2.485   5.954
  586   2HAD  HEC  71          HP62      HEC  71   4.137  -1.324   6.807
  587   1HBD  HEC  71          HP63      HEC  71   4.636  -2.437   8.886
  588   2HBD  HEC  71          HP64      HEC  71   5.822  -3.488   8.084
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1   9.813   3.660  -6.657
    2   2H    ALA   1          2H        ALA   1  10.917   4.877  -6.952
    3   3H    ALA   1          3H        ALA   1   9.415   4.885  -7.663
    4    HA   ALA   1           HA       ALA   1  10.843   4.114  -9.326
    5   1HB   ALA   1          1HB       ALA   1  12.747   3.502  -7.851
    6   2HB   ALA   1          2HB       ALA   1  11.818   2.121  -7.221
    7   3HB   ALA   1          3HB       ALA   1  12.310   2.159  -8.925
    8    H    ASP   2           H        ASP   2  10.133   2.368 -10.745
    9    HA   ASP   2           HA       ASP   2   7.677   1.284 -10.531
   10   1HB   ASP   2          1HB       ASP   2  10.094   0.067 -11.931
   11   2HB   ASP   2          2HB       ASP   2   8.395  -0.172 -12.351
   12    H    VAL   3           H        VAL   3   7.271   0.439  -8.508
   13    HA   VAL   3           HA       VAL   3   6.723  -1.282  -7.172
   14    HB   VAL   3           HB       VAL   3   8.831  -3.094  -8.404
   15   1HG1  VAL   3          1HG1      VAL   3   8.037  -3.801  -6.197
   16   2HG1  VAL   3          2HG1      VAL   3   6.350  -3.673  -6.738
   17   3HG1  VAL   3          3HG1      VAL   3   7.431  -4.877  -7.458
   18   1HG2  VAL   3          1HG2      VAL   3   7.299  -2.514 -10.235
   19   2HG2  VAL   3          2HG2      VAL   3   6.928  -4.135  -9.654
   20   3HG2  VAL   3          3HG2      VAL   3   5.895  -2.778  -9.190
   21    H    VAL   4           H        VAL   4   7.319  -1.468  -5.050
   22    HA   VAL   4           HA       VAL   4  10.193  -1.345  -4.324
   23    HB   VAL   4           HB       VAL   4   8.021   0.480  -3.259
   24   1HG1  VAL   4          1HG1      VAL   4  10.830  -0.024  -2.144
   25   2HG1  VAL   4          2HG1      VAL   4   9.778   1.315  -1.650
   26   3HG1  VAL   4          3HG1      VAL   4   9.315  -0.339  -1.292
   27   1HG2  VAL   4          1HG2      VAL   4  10.733   1.051  -4.484
   28   2HG2  VAL   4          2HG2      VAL   4   9.149   1.356  -5.237
   29   3HG2  VAL   4          3HG2      VAL   4   9.634   2.266  -3.793
   30    H    THR   5           H        THR   5  10.498  -2.196  -2.123
   31    HA   THR   5           HA       THR   5   8.060  -3.040  -0.883
   32    HB   THR   5           HB       THR   5   8.859  -5.198  -1.676
   33    HG1  THR   5           HG1      THR   5   8.324  -4.846   0.546
   34   1HG2  THR   5          1HG2      THR   5  11.164  -6.045  -1.128
   35   2HG2  THR   5          2HG2      THR   5  11.098  -4.788  -2.371
   36   3HG2  THR   5          3HG2      THR   5  11.616  -4.373  -0.732
   37    H    TYR   6           H        TYR   6   7.952  -2.901   1.236
   38    HA   TYR   6           HA       TYR   6   9.691  -1.113   2.630
   39   1HB   TYR   6          1HB       TYR   6   7.620  -2.997   3.741
   40   2HB   TYR   6          2HB       TYR   6   8.295  -1.590   4.568
   41    HD1  TYR   6           HD1      TYR   6   8.140   0.595   2.657
   42    HD2  TYR   6           HD2      TYR   6   5.308  -2.553   3.452
   43    HE1  TYR   6           HE1      TYR   6   6.435   1.774   1.365
   44    HE2  TYR   6           HE2      TYR   6   3.623  -1.371   2.072
   45    HH   TYR   6           HH       TYR   6   4.458   1.104  -0.015
   46    H    GLU   7           H        GLU   7   9.991  -4.527   2.058
   47    HA   GLU   7           HA       GLU   7  10.949  -6.251   3.131
   48   1HB   GLU   7          1HB       GLU   7  13.081  -4.232   3.513
   49   2HB   GLU   7          2HB       GLU   7  13.242  -6.001   3.604
   50   1HG   GLU   7          1HG       GLU   7  12.296  -6.005   1.171
   51   2HG   GLU   7          2HG       GLU   7  12.668  -4.262   1.189
   52    H    ASN   8           H        ASN   8   9.506  -6.437   4.806
   53    HA   ASN   8           HA       ASN   8  10.353  -5.555   7.536
   54   1HB   ASN   8          1HB       ASN   8   7.653  -6.756   7.077
   55   2HB   ASN   8          2HB       ASN   8   8.157  -5.454   8.163
   56   1HD2  ASN   8          1HD2      ASN   8   6.429  -6.108   5.387
   57   2HD2  ASN   8          2HD2      ASN   8   6.527  -4.514   4.649
   58    H    LYS   9           H        LYS   9   9.524  -7.276   9.290
   59    HA   LYS   9           HA       LYS   9  11.228  -9.560   8.753
   60   1HB   LYS   9          1HB       LYS   9  10.207  -8.222  11.071
   61   2HB   LYS   9          2HB       LYS   9   9.547  -9.842  11.128
   62   1HG   LYS   9          1HG       LYS   9  11.604  -9.950  12.305
   63   2HG   LYS   9          2HG       LYS   9  11.868 -10.751  10.756
   64   1HD   LYS   9          1HD       LYS   9  13.793  -9.420  11.113
   65   2HD   LYS   9          2HD       LYS   9  12.855  -8.530   9.906
   66   1HE   LYS   9          1HE       LYS   9  11.933  -7.083  11.798
   67   2HE   LYS   9          2HE       LYS   9  13.001  -7.953  12.910
   68   1HZ   LYS   9          1HZ       LYS   9  14.865  -7.131  11.601
   69   2HZ   LYS   9          2HZ       LYS   9  13.836  -6.315  10.604
   70   3HZ   LYS   9          3HZ       LYS   9  13.951  -5.896  12.187
   71    H    LYS  10           H        LYS  10   7.866  -8.988   8.272
   72    HA   LYS  10           HA       LYS  10   6.960 -11.694   8.630
   73   1HB   LYS  10          1HB       LYS  10   5.806  -9.477   6.905
   74   2HB   LYS  10          2HB       LYS  10   4.927 -10.928   7.391
   75   1HG   LYS  10          1HG       LYS  10   6.026  -8.906   9.380
   76   2HG   LYS  10          2HG       LYS  10   4.481  -8.690   8.570
   77   1HD   LYS  10          1HD       LYS  10   4.064  -9.565  10.710
   78   2HD   LYS  10          2HD       LYS  10   3.604 -10.776   9.511
   79   1HE   LYS  10          1HE       LYS  10   5.448 -12.179  10.083
   80   2HE   LYS  10          2HE       LYS  10   6.339 -10.846  10.863
   81   1HZ   LYS  10          1HZ       LYS  10   3.900 -12.127  11.895
   82   2HZ   LYS  10          2HZ       LYS  10   5.430 -12.375  12.439
   83   3HZ   LYS  10          3HZ       LYS  10   4.732 -10.903  12.626
   84    H    GLY  11           H        GLY  11   7.535  -9.846   5.624
   85   1HA   GLY  11          1HA       GLY  11   8.659 -11.852   4.012
   86   2HA   GLY  11          2HA       GLY  11   6.898 -12.093   3.965
   87    H    ASN  12           H        ASN  12   9.274  -9.536   3.887
   88    HA   ASN  12           HA       ASN  12   9.084  -7.326   3.005
   89   1HB   ASN  12          1HB       ASN  12   9.655  -9.047   0.628
   90   2HB   ASN  12          2HB       ASN  12  10.366  -7.490   1.025
   91   1HD2  ASN  12          1HD2      ASN  12  10.970  -8.219   3.945
   92   2HD2  ASN  12          2HD2      ASN  12  12.289  -9.346   3.778
   93    H    VAL  13           H        VAL  13   7.249  -6.292   2.887
   94    HA   VAL  13           HA       VAL  13   4.944  -7.077   1.327
   95    HB   VAL  13           HB       VAL  13   5.767  -4.574   2.791
   96   1HG1  VAL  13          1HG1      VAL  13   3.462  -3.742   2.442
   97   2HG1  VAL  13          2HG1      VAL  13   4.385  -3.718   0.964
   98   3HG1  VAL  13          3HG1      VAL  13   3.181  -5.007   1.231
   99   1HG2  VAL  13          1HG2      VAL  13   4.028  -5.213   4.353
  100   2HG2  VAL  13          2HG2      VAL  13   3.435  -6.488   3.263
  101   3HG2  VAL  13          3HG2      VAL  13   5.020  -6.651   4.037
  102    H    THR  14           H        THR  14   5.099  -7.127  -0.819
  103    HA   THR  14           HA       THR  14   6.730  -5.181  -2.327
  104    HB   THR  14           HB       THR  14   5.035  -7.556  -3.202
  105    HG1  THR  14           HG1      THR  14   6.940  -7.912  -1.772
  106   1HG2  THR  14          1HG2      THR  14   5.453  -5.981  -5.065
  107   2HG2  THR  14          2HG2      THR  14   7.189  -5.956  -4.664
  108   3HG2  THR  14          3HG2      THR  14   6.428  -7.448  -5.253
  109    H    PHE  15           H        PHE  15   5.847  -3.327  -3.146
  110    HA   PHE  15           HA       PHE  15   2.910  -3.238  -3.583
  111   1HB   PHE  15          1HB       PHE  15   2.660  -1.109  -2.590
  112   2HB   PHE  15          2HB       PHE  15   3.364  -2.190  -1.412
  113    HD1  PHE  15           HD1      PHE  15   5.816  -2.041  -0.876
  114    HD2  PHE  15           HD2      PHE  15   3.725   0.962  -3.165
  115    HE1  PHE  15           HE1      PHE  15   7.446  -0.323  -0.145
  116    HE2  PHE  15           HE2      PHE  15   5.379   2.668  -2.433
  117    HZ   PHE  15           HZ       PHE  15   7.259   1.987  -0.936
  118    H    ASP  16           H        ASP  16   2.807  -3.201  -5.698
  119    HA   ASP  16           HA       ASP  16   4.708  -2.148  -7.413
  120   1HB   ASP  16          1HB       ASP  16   1.799  -2.824  -7.919
  121   2HB   ASP  16          2HB       ASP  16   3.079  -2.630  -9.144
  122    H    HIS  17           H        HIS  17   5.050  -0.136  -6.405
  123    HA   HIS  17           HA       HIS  17   3.708   2.133  -6.166
  124   1HB   HIS  17          1HB       HIS  17   6.336   1.460  -6.323
  125   2HB   HIS  17          2HB       HIS  17   6.241   2.391  -7.806
  126    HD1  HIS  17           HND      HIS  17   7.752   3.015  -4.953
  127    HD2  HIS  17           HD       HIS  17   4.221   4.721  -6.459
  128    HE1  HIS  17           HE       HIS  17   7.494   5.273  -3.822
  129    H    LYS  18           H        LYS  18   5.209   1.400  -9.341
  130    HA   LYS  18           HA       LYS  18   3.981   3.478 -10.769
  131   1HB   LYS  18          1HB       LYS  18   5.940   2.516 -11.667
  132   2HB   LYS  18          2HB       LYS  18   5.274   0.867 -11.642
  133   1HG   LYS  18          1HG       LYS  18   3.704   1.361 -13.355
  134   2HG   LYS  18          2HG       LYS  18   4.035   3.103 -13.272
  135   1HD   LYS  18          1HD       LYS  18   6.329   2.679 -14.099
  136   2HD   LYS  18          2HD       LYS  18   5.981   0.950 -14.231
  137   1HE   LYS  18          1HE       LYS  18   4.506   3.226 -15.666
  138   2HE   LYS  18          2HE       LYS  18   5.751   2.223 -16.421
  139   1HZ   LYS  18          1HZ       LYS  18   3.362   0.928 -15.277
  140   2HZ   LYS  18          2HZ       LYS  18   3.161   1.729 -16.595
  141   3HZ   LYS  18          3HZ       LYS  18   4.262   0.469 -16.580
  142    H    ALA  19           H        ALA  19   3.122   0.000 -10.706
  143    HA   ALA  19           HA       ALA  19   0.879  -0.020 -12.323
  144   1HB   ALA  19          1HB       ALA  19   1.172  -1.377  -9.649
  145   2HB   ALA  19          2HB       ALA  19   0.089  -1.898 -10.954
  146   3HB   ALA  19          3HB       ALA  19   1.858  -2.004 -11.178
  147    H    HIS  20           H        HIS  20   0.879   0.547  -8.769
  148    HA   HIS  20           HA       HIS  20  -1.882   1.167  -8.454
  149   1HB   HIS  20          1HB       HIS  20   0.648   1.963  -6.949
  150   2HB   HIS  20          2HB       HIS  20  -0.917   2.624  -6.514
  151    HD1  HIS  20           HND      HIS  20   0.809  -0.797  -6.650
  152    HD2  HIS  20           HD       HIS  20  -2.542   1.184  -5.062
  153    HE1  HIS  20           HE       HIS  20  -0.298  -2.406  -4.979
  154    H    ALA  21           H        ALA  21   0.977   3.099  -9.239
  155    HA   ALA  21           HA       ALA  21  -0.325   5.650  -9.106
  156   1HB   ALA  21          1HB       ALA  21   2.130   5.393  -9.091
  157   2HB   ALA  21          2HB       ALA  21   2.099   4.936 -10.798
  158   3HB   ALA  21          3HB       ALA  21   1.547   6.546 -10.328
  159    H    GLU  22           H        GLU  22   0.265   3.591 -11.973
  160    HA   GLU  22           HA       GLU  22  -0.946   5.567 -13.728
  161   1HB   GLU  22          1HB       GLU  22  -0.484   4.071 -15.545
  162   2HB   GLU  22          2HB       GLU  22   0.911   4.204 -14.473
  163   1HG   GLU  22          1HG       GLU  22   0.054   1.988 -13.411
  164   2HG   GLU  22          2HG       GLU  22  -0.954   1.843 -14.858
  165    H    LYS  23           H        LYS  23  -2.037   2.529 -12.202
  166    HA   LYS  23           HA       LYS  23  -4.559   2.492 -13.573
  167   1HB   LYS  23          1HB       LYS  23  -3.668   1.246 -10.944
  168   2HB   LYS  23          2HB       LYS  23  -5.159   0.837 -11.792
  169   1HG   LYS  23          1HG       LYS  23  -2.383   0.579 -13.065
  170   2HG   LYS  23          2HG       LYS  23  -3.091  -0.712 -12.127
  171   1HD   LYS  23          1HD       LYS  23  -4.783   0.459 -14.336
  172   2HD   LYS  23          2HD       LYS  23  -3.315  -0.379 -14.828
  173   1HE   LYS  23          1HE       LYS  23  -5.276  -1.930 -14.763
  174   2HE   LYS  23          2HE       LYS  23  -3.969  -2.414 -13.672
  175   1HZ   LYS  23          1HZ       LYS  23  -5.188  -1.367 -11.852
  176   2HZ   LYS  23          2HZ       LYS  23  -6.485  -1.100 -12.841
  177   3HZ   LYS  23          3HZ       LYS  23  -5.930  -2.612 -12.424
  178    H    LEU  24           H        LEU  24  -3.699   3.607 -10.221
  179    HA   LEU  24           HA       LEU  24  -6.300   4.740  -9.760
  180   1HB   LEU  24          1HB       LEU  24  -3.601   5.073  -8.373
  181   2HB   LEU  24          2HB       LEU  24  -5.108   5.743  -7.821
  182    HG   LEU  24           HG       LEU  24  -6.004   3.843  -7.186
  183   1HD1  LEU  24          1HD1      LEU  24  -5.502   1.564  -7.556
  184   2HD1  LEU  24          2HD1      LEU  24  -5.951   2.355  -9.071
  185   3HD1  LEU  24          3HD1      LEU  24  -4.237   1.970  -8.735
  186   1HD2  LEU  24          1HD2      LEU  24  -4.331   2.602  -5.805
  187   2HD2  LEU  24          2HD2      LEU  24  -3.046   3.175  -6.872
  188   3HD2  LEU  24          3HD2      LEU  24  -3.916   4.320  -5.852
  189    H    GLY  25           H        GLY  25  -3.021   6.267 -10.236
  190   1HA   GLY  25          1HA       GLY  25  -3.322   8.282 -11.810
  191   2HA   GLY  25          2HA       GLY  25  -4.267   8.947 -10.455
  192    H    CYS  26           H        CYS  26  -3.191   8.992  -8.360
  193    HA   CYS  26           HA       CYS  26  -0.537   8.512  -7.691
  194   1HB   CYS  26          1HB       CYS  26  -0.146  10.414  -9.601
  195   2HB   CYS  26          2HB       CYS  26  -0.659  11.469  -8.316
  196    H    ASP  27           H        ASP  27  -3.017  10.823  -7.726
  197    HA   ASP  27           HA       ASP  27  -3.255  12.315  -5.443
  198   1HB   ASP  27          1HB       ASP  27  -5.676  12.067  -5.975
  199   2HB   ASP  27          2HB       ASP  27  -4.709  12.464  -7.398
  200    H    ALA  28           H        ALA  28  -4.292   9.037  -6.121
  201    HA   ALA  28           HA       ALA  28  -5.492   8.023  -3.998
  202   1HB   ALA  28          1HB       ALA  28  -3.148   6.926  -5.582
  203   2HB   ALA  28          2HB       ALA  28  -3.973   5.948  -4.356
  204   3HB   ALA  28          3HB       ALA  28  -4.886   6.581  -5.755
  205    H    CYS  29           H        CYS  29  -1.965   8.493  -4.071
  206    HA   CYS  29           HA       CYS  29  -1.830   8.032  -1.097
  207   1HB   CYS  29          1HB       CYS  29   0.257   7.386  -3.155
  208   2HB   CYS  29          2HB       CYS  29   0.283   7.000  -1.423
  209    H    HIS  30           H        HIS  30  -0.784  10.048  -3.847
  210    HA   HIS  30           HA       HIS  30   0.612  11.885  -1.944
  211   1HB   HIS  30          1HB       HIS  30   1.381  11.201  -4.791
  212   2HB   HIS  30          2HB       HIS  30   2.188  12.350  -3.740
  213    HD1  HIS  30           HND      HIS  30   3.507  11.151  -1.604
  214    HD2  HIS  30           HD       HIS  30   2.324   8.867  -4.872
  215    HE1  HIS  30           HE       HIS  30   5.151   9.096  -1.771
  216    H    GLU  31           H        GLU  31  -0.916  13.444  -1.801
  217    HA   GLU  31           HA       GLU  31  -2.591  14.290  -4.013
  218   1HB   GLU  31          1HB       GLU  31  -1.984  16.019  -1.556
  219   2HB   GLU  31          2HB       GLU  31  -3.417  15.958  -2.584
  220   1HG   GLU  31          1HG       GLU  31  -3.660  13.550  -1.804
  221   2HG   GLU  31          2HG       GLU  31  -2.472  13.904  -0.541
  222    H    GLY  32           H        GLY  32   0.023  15.770  -2.250
  223   1HA   GLY  32          1HA       GLY  32   0.832  17.513  -4.566
  224   2HA   GLY  32          2HA       GLY  32   1.043  17.903  -2.852
  225    H    THR  33           H        THR  33   3.259  18.111  -2.973
  226    HA   THR  33           HA       THR  33   5.065  16.747  -4.428
  227    HB   THR  33           HB       THR  33   5.579  17.853  -1.649
  228    HG1  THR  33           HG1      THR  33   5.259  19.233  -4.107
  229   1HG2  THR  33          1HG2      THR  33   7.244  17.859  -4.218
  230   2HG2  THR  33          2HG2      THR  33   7.682  18.642  -2.685
  231   3HG2  THR  33          3HG2      THR  33   7.565  16.876  -2.772
  232    HA   PRO  34           HA       PRO  34   4.971  12.776  -2.137
  233   1HB   PRO  34          1HB       PRO  34   6.186  11.196  -3.874
  234   2HB   PRO  34          2HB       PRO  34   4.547  11.818  -4.193
  235   1HG   PRO  34          1HG       PRO  34   7.116  12.899  -5.308
  236   2HG   PRO  34          2HG       PRO  34   5.575  12.536  -6.138
  237   1HD   PRO  34          1HD       PRO  34   6.258  15.055  -5.276
  238   2HD   PRO  34          2HD       PRO  34   4.560  14.487  -5.340
  239    H    ALA  35           H        ALA  35   6.350  13.067  -0.394
  240    HA   ALA  35           HA       ALA  35   9.301  12.822  -0.878
  241   1HB   ALA  35          1HB       ALA  35   8.657  15.149  -0.457
  242   2HB   ALA  35          2HB       ALA  35   7.861  14.669   1.060
  243   3HB   ALA  35          3HB       ALA  35   9.628  14.486   0.883
  244    H    LYS  36           H        LYS  36   7.947  10.682  -0.624
  245    HA   LYS  36           HA       LYS  36   7.324   8.866   0.310
  246   1HB   LYS  36          1HB       LYS  36   8.717   7.795   1.909
  247   2HB   LYS  36          2HB       LYS  36   9.660   8.595   0.676
  248   1HG   LYS  36          1HG       LYS  36  10.533  10.166   2.095
  249   2HG   LYS  36          2HG       LYS  36   9.227  10.044   3.289
  250   1HD   LYS  36          1HD       LYS  36  11.005   7.662   2.642
  251   2HD   LYS  36          2HD       LYS  36  11.499   8.856   3.859
  252   1HE   LYS  36          1HE       LYS  36   9.730   8.395   5.293
  253   2HE   LYS  36          2HE       LYS  36   8.675   7.775   4.061
  254   1HZ   LYS  36          1HZ       LYS  36   9.933   5.783   3.873
  255   2HZ   LYS  36          2HZ       LYS  36  10.991   6.249   5.047
  256   3HZ   LYS  36          3HZ       LYS  36   9.383   5.979   5.358
  257    H    ILE  37           H        ILE  37   6.176   7.698   1.851
  258    HA   ILE  37           HA       ILE  37   4.382   9.554   3.330
  259    HB   ILE  37           HB       ILE  37   3.791   6.651   2.770
  260   1HG1  ILE  37          1HG1      ILE  37   3.665   8.988   0.871
  261   2HG1  ILE  37          2HG1      ILE  37   4.434   7.410   0.665
  262   1HG2  ILE  37          1HG2      ILE  37   1.989   9.097   3.020
  263   2HG2  ILE  37          2HG2      ILE  37   1.470   7.402   2.894
  264   3HG2  ILE  37          3HG2      ILE  37   2.320   7.948   4.332
  265   1HD1  ILE  37          1HD1      ILE  37   2.088   6.401   0.644
  266   2HD1  ILE  37          2HD1      ILE  37   1.453   8.061   0.649
  267   3HD1  ILE  37          3HD1      ILE  37   2.450   7.508  -0.701
  268    H    ALA  38           H        ALA  38   6.303   6.678   3.747
  269    HA   ALA  38           HA       ALA  38   6.955   5.418   5.488
  270   1HB   ALA  38          1HB       ALA  38   6.983   6.163   7.743
  271   2HB   ALA  38          2HB       ALA  38   7.505   7.504   6.675
  272   3HB   ALA  38          3HB       ALA  38   5.877   7.505   7.410
  273    H    ILE  39           H        ILE  39   5.347   4.303   4.322
  274    HA   ILE  39           HA       ILE  39   2.951   3.565   5.881
  275    HB   ILE  39           HB       ILE  39   4.337   2.369   3.481
  276   1HG1  ILE  39          1HG1      ILE  39   3.170   4.497   3.070
  277   2HG1  ILE  39          2HG1      ILE  39   2.459   3.152   2.213
  278   1HG2  ILE  39          1HG2      ILE  39   3.316   0.584   4.868
  279   2HG2  ILE  39          2HG2      ILE  39   1.757   1.427   4.790
  280   3HG2  ILE  39          3HG2      ILE  39   2.518   0.769   3.330
  281   1HD1  ILE  39          1HD1      ILE  39   0.737   4.630   3.004
  282   2HD1  ILE  39          2HD1      ILE  39   0.599   3.133   3.930
  283   3HD1  ILE  39          3HD1      ILE  39   1.349   4.580   4.656
  284    H    ASP  40           H        ASP  40   3.186   2.441   7.586
  285    HA   ASP  40           HA       ASP  40   5.187   0.380   8.005
  286   1HB   ASP  40          1HB       ASP  40   5.680   1.011  10.276
  287   2HB   ASP  40          2HB       ASP  40   6.104   2.352   9.263
  288    H    LYS  41           H        LYS  41   4.404  -0.853   9.916
  289    HA   LYS  41           HA       LYS  41   1.984  -1.940   9.921
  290   1HB   LYS  41          1HB       LYS  41   2.276  -2.331  12.386
  291   2HB   LYS  41          2HB       LYS  41   3.620  -2.717  11.333
  292   1HG   LYS  41          1HG       LYS  41   4.178  -0.088  12.167
  293   2HG   LYS  41          2HG       LYS  41   3.576  -0.876  13.612
  294   1HD   LYS  41          1HD       LYS  41   5.766  -1.942  11.753
  295   2HD   LYS  41          2HD       LYS  41   6.083  -0.908  13.148
  296   1HE   LYS  41          1HE       LYS  41   5.184  -2.565  14.695
  297   2HE   LYS  41          2HE       LYS  41   4.652  -3.595  13.359
  298   1HZ   LYS  41          1HZ       LYS  41   7.485  -2.926  13.899
  299   2HZ   LYS  41          2HZ       LYS  41   6.753  -4.340  14.315
  300   3HZ   LYS  41          3HZ       LYS  41   6.950  -3.980  12.766
  301    H    LYS  42           H        LYS  42   2.504   1.045  11.877
  302    HA   LYS  42           HA       LYS  42  -0.293   1.120  12.735
  303   1HB   LYS  42          1HB       LYS  42   1.839   3.293  12.864
  304   2HB   LYS  42          2HB       LYS  42   0.290   3.259  13.701
  305   1HG   LYS  42          1HG       LYS  42   1.326   0.841  14.518
  306   2HG   LYS  42          2HG       LYS  42   2.820   1.726  14.197
  307   1HD   LYS  42          1HD       LYS  42   2.273   1.970  16.518
  308   2HD   LYS  42          2HD       LYS  42   2.034   3.547  15.742
  309   1HE   LYS  42          1HE       LYS  42  -0.393   3.277  15.766
  310   2HE   LYS  42          2HE       LYS  42  -0.261   1.556  16.157
  311   1HZ   LYS  42          1HZ       LYS  42  -0.886   2.882  18.034
  312   2HZ   LYS  42          2HZ       LYS  42   0.565   2.162  18.310
  313   3HZ   LYS  42          3HZ       LYS  42   0.496   3.769  17.944
  314    H    SER  43           H        SER  43   1.490   2.233   9.990
  315    HA   SER  43           HA       SER  43  -0.646   4.122   9.088
  316   1HB   SER  43          1HB       SER  43   2.257   3.794   8.388
  317   2HB   SER  43          2HB       SER  43   1.153   5.058   7.855
  318    HG   SER  43           HG       SER  43   2.695   4.795  10.101
  319    H    ALA  44           H        ALA  44  -0.753   1.341   8.747
  320    HA   ALA  44           HA       ALA  44  -0.642   0.829   5.790
  321   1HB   ALA  44          1HB       ALA  44   0.392  -1.384   6.316
  322   2HB   ALA  44          2HB       ALA  44   1.512  -0.020   6.512
  323   3HB   ALA  44          3HB       ALA  44   0.793  -0.822   7.922
  324    H    HIS  45           H        HIS  45  -1.010  -0.536   8.964
  325    HA   HIS  45           HA       HIS  45  -3.165  -2.390   8.050
  326   1HB   HIS  45          1HB       HIS  45  -1.405  -2.264  10.474
  327   2HB   HIS  45          2HB       HIS  45  -3.011  -2.910  10.701
  328    HD1  HIS  45           HND      HIS  45  -3.641  -5.170   9.547
  329    HD2  HIS  45           HD       HIS  45   0.292  -3.824   8.916
  330    HE1  HIS  45           HE       HIS  45  -2.347  -7.121   8.543
  331    H    LYS  46           H        LYS  46  -3.060   0.721   9.397
  332    HA   LYS  46           HA       LYS  46  -5.464   0.481  11.013
  333   1HB   LYS  46          1HB       LYS  46  -3.355   1.706  11.536
  334   2HB   LYS  46          2HB       LYS  46  -3.768   2.926  10.335
  335   1HG   LYS  46          1HG       LYS  46  -5.281   2.201  12.883
  336   2HG   LYS  46          2HG       LYS  46  -4.209   3.578  12.607
  337   1HD   LYS  46          1HD       LYS  46  -6.035   3.929  10.588
  338   2HD   LYS  46          2HD       LYS  46  -7.058   3.174  11.803
  339   1HE   LYS  46          1HE       LYS  46  -7.239   5.527  12.152
  340   2HE   LYS  46          2HE       LYS  46  -6.144   4.977  13.433
  341   1HZ   LYS  46          1HZ       LYS  46  -5.279   6.942  12.356
  342   2HZ   LYS  46          2HZ       LYS  46  -4.307   5.689  11.891
  343   3HZ   LYS  46          3HZ       LYS  46  -5.425   6.280  10.871
  344    H    ASP  47           H        ASP  47  -4.598   2.883   8.451
  345    HA   ASP  47           HA       ASP  47  -7.364   2.813   7.374
  346   1HB   ASP  47          1HB       ASP  47  -7.135   5.340   7.373
  347   2HB   ASP  47          2HB       ASP  47  -7.316   4.599   8.947
  348    H    ALA  48           H        ALA  48  -4.338   2.143   6.445
  349    HA   ALA  48           HA       ALA  48  -4.332   3.846   3.998
  350   1HB   ALA  48          1HB       ALA  48  -2.235   2.195   5.410
  351   2HB   ALA  48          2HB       ALA  48  -1.981   2.921   3.795
  352   3HB   ALA  48          3HB       ALA  48  -2.305   3.938   5.208
  353    H    CYS  49           H        CYS  49  -2.914   0.657   4.103
  354    HA   CYS  49           HA       CYS  49  -3.710   0.206   1.422
  355   1HB   CYS  49          1HB       CYS  49  -2.820  -1.952   3.319
  356   2HB   CYS  49          2HB       CYS  49  -2.601  -1.901   1.588
  357    H    LYS  50           H        LYS  50  -4.620  -1.689   4.314
  358    HA   LYS  50           HA       LYS  50  -6.928  -2.878   2.961
  359   1HB   LYS  50          1HB       LYS  50  -5.386  -4.115   4.484
  360   2HB   LYS  50          2HB       LYS  50  -5.985  -3.147   5.839
  361   1HG   LYS  50          1HG       LYS  50  -8.260  -4.028   5.451
  362   2HG   LYS  50          2HG       LYS  50  -7.714  -4.928   4.034
  363   1HD   LYS  50          1HD       LYS  50  -6.479  -6.464   5.262
  364   2HD   LYS  50          2HD       LYS  50  -6.273  -5.403   6.657
  365   1HE   LYS  50          1HE       LYS  50  -8.951  -6.621   5.820
  366   2HE   LYS  50          2HE       LYS  50  -7.865  -7.343   7.016
  367   1HZ   LYS  50          1HZ       LYS  50  -9.549  -6.017   8.073
  368   2HZ   LYS  50          2HZ       LYS  50  -8.068  -5.358   8.348
  369   3HZ   LYS  50          3HZ       LYS  50  -9.082  -4.667   7.260
  370    H    THR  51           H        THR  51  -7.335  -0.384   2.751
  371    HA   THR  51           HA       THR  51  -9.846   0.105   4.111
  372    HB   THR  51           HB       THR  51  -7.459   1.928   4.559
  373    HG1  THR  51           HG1      THR  51  -8.275   0.143   6.043
  374   1HG2  THR  51          1HG2      THR  51  -9.060   3.540   5.589
  375   2HG2  THR  51          2HG2      THR  51  -9.267   3.421   3.840
  376   3HG2  THR  51          3HG2      THR  51 -10.411   2.598   4.931
  377    H    CYS  52           H        CYS  52  -7.196   1.582   2.082
  378    HA   CYS  52           HA       CYS  52  -8.963   2.734   0.183
  379   1HB   CYS  52          1HB       CYS  52  -6.420   2.964   0.562
  380   2HB   CYS  52          2HB       CYS  52  -6.277   1.568  -0.521
  381    H    HIS  53           H        HIS  53  -7.466  -0.513   0.405
  382    HA   HIS  53           HA       HIS  53  -8.375  -1.495  -2.088
  383   1HB   HIS  53          1HB       HIS  53  -7.663  -2.944   0.502
  384   2HB   HIS  53          2HB       HIS  53  -7.821  -3.712  -1.068
  385    HD1  HIS  53           HND      HIS  53  -5.194  -4.049   0.384
  386    HD2  HIS  53           HD       HIS  53  -6.091  -1.316  -2.683
  387    HE1  HIS  53           HE       HIS  53  -3.057  -3.658  -0.970
  388    H    LYS  54           H        LYS  54 -10.730  -0.374  -0.907
  389    HA   LYS  54           HA       LYS  54 -12.625  -1.962   0.295
  390   1HB   LYS  54          1HB       LYS  54 -12.989  -0.030  -1.975
  391   2HB   LYS  54          2HB       LYS  54 -14.274  -0.690  -0.962
  392   1HG   LYS  54          1HG       LYS  54 -11.943   1.019  -0.010
  393   2HG   LYS  54          2HG       LYS  54 -13.554   1.585  -0.346
  394   1HD   LYS  54          1HD       LYS  54 -13.059  -0.500   1.809
  395   2HD   LYS  54          2HD       LYS  54 -12.841   1.214   2.078
  396   1HE   LYS  54          1HE       LYS  54 -14.995   0.669   2.898
  397   2HE   LYS  54          2HE       LYS  54 -15.179   1.705   1.479
  398   1HZ   LYS  54          1HZ       LYS  54 -15.752  -0.229   0.207
  399   2HZ   LYS  54          2HZ       LYS  54 -15.487  -1.231   1.491
  400   3HZ   LYS  54          3HZ       LYS  54 -16.722  -0.145   1.525
  401    H    SER  55           H        SER  55 -12.549  -4.080  -0.248
  402    HA   SER  55           HA       SER  55 -13.466  -5.946  -1.228
  403   1HB   SER  55          1HB       SER  55 -15.125  -4.385  -2.439
  404   2HB   SER  55          2HB       SER  55 -14.041  -4.512  -3.842
  405    HG   SER  55           HG       SER  55 -15.628  -6.137  -3.874
  406    H    ASN  56           H        ASN  56 -11.766  -3.950  -3.677
  407    HA   ASN  56           HA       ASN  56 -10.404  -5.631  -5.225
  408   1HB   ASN  56          1HB       ASN  56  -8.880  -3.407  -3.809
  409   2HB   ASN  56          2HB       ASN  56  -8.581  -4.071  -5.418
  410   1HD2  ASN  56          1HD2      ASN  56  -8.705  -1.382  -5.122
  411   2HD2  ASN  56          2HD2      ASN  56 -10.207  -0.754  -5.772
  412    H    ASN  57           H        ASN  57  -9.428  -4.892  -1.903
  413    HA   ASN  57           HA       ASN  57  -8.317  -7.537  -1.591
  414   1HB   ASN  57          1HB       ASN  57  -6.436  -5.398  -2.161
  415   2HB   ASN  57          2HB       ASN  57  -6.243  -5.849  -0.470
  416   1HD2  ASN  57          1HD2      ASN  57  -6.861  -7.583  -3.587
  417   2HD2  ASN  57          2HD2      ASN  57  -5.555  -8.739  -3.335
  418    H    GLY  58           H        GLY  58 -10.546  -6.868  -0.752
  419   1HA   GLY  58          1HA       GLY  58 -10.578  -5.491   1.837
  420   2HA   GLY  58          2HA       GLY  58 -11.923  -6.305   1.042
  421    HA   PRO  59           HA       PRO  59 -10.302  -9.977   3.394
  422   1HB   PRO  59          1HB       PRO  59 -12.398 -11.684   3.011
  423   2HB   PRO  59          2HB       PRO  59 -12.807 -10.117   3.779
  424   1HG   PRO  59          1HG       PRO  59 -13.030 -10.864   0.835
  425   2HG   PRO  59          2HG       PRO  59 -14.276 -10.106   1.861
  426   1HD   PRO  59          1HD       PRO  59 -12.489  -8.707   0.207
  427   2HD   PRO  59          2HD       PRO  59 -13.281  -8.016   1.655
  428    H    THR  60           H        THR  60 -10.056 -12.192   3.076
  429    HA   THR  60           HA       THR  60  -8.473 -13.146   1.026
  430    HB   THR  60           HB       THR  60  -7.720 -10.991   0.343
  431    HG1  THR  60           HG1      THR  60  -5.955 -11.746   2.330
  432   1HG2  THR  60          1HG2      THR  60  -7.343 -10.223   3.296
  433   2HG2  THR  60          2HG2      THR  60  -6.599  -9.381   1.932
  434   3HG2  THR  60          3HG2      THR  60  -8.333  -9.376   2.085
  435    H    LYS  61           H        LYS  61  -8.582 -11.693   4.302
  436    HA   LYS  61           HA       LYS  61  -8.100 -12.490   6.354
  437   1HB   LYS  61          1HB       LYS  61  -8.636 -15.142   4.984
  438   2HB   LYS  61          2HB       LYS  61  -8.228 -15.039   6.683
  439   1HG   LYS  61          1HG       LYS  61 -10.512 -13.423   5.510
  440   2HG   LYS  61          2HG       LYS  61 -10.732 -15.101   5.985
  441   1HD   LYS  61          1HD       LYS  61  -9.728 -12.946   7.906
  442   2HD   LYS  61          2HD       LYS  61 -11.426 -13.394   7.698
  443   1HE   LYS  61          1HE       LYS  61 -10.884 -15.757   8.328
  444   2HE   LYS  61          2HE       LYS  61  -9.206 -15.286   8.636
  445   1HZ   LYS  61          1HZ       LYS  61 -10.476 -15.350  10.632
  446   2HZ   LYS  61          2HZ       LYS  61  -9.988 -13.809  10.349
  447   3HZ   LYS  61          3HZ       LYS  61 -11.553 -14.245  10.072
  448    H    CYS  62           H        CYS  62  -6.123 -11.467   5.483
  449    HA   CYS  62           HA       CYS  62  -3.938 -11.197   5.909
  450   1HB   CYS  62          1HB       CYS  62  -4.205 -13.256   7.477
  451   2HB   CYS  62          2HB       CYS  62  -3.357 -14.093   6.155
  452    H    GLY  63           H        GLY  63  -1.880 -13.137   4.779
  453   1HA   GLY  63          1HA       GLY  63  -1.115 -14.047   2.851
  454   2HA   GLY  63          2HA       GLY  63  -2.761 -14.029   2.213
  455    H    GLY  64           H        GLY  64  -3.427 -11.503   1.984
  456   1HA   GLY  64          1HA       GLY  64  -3.042 -10.626  -0.372
  457   2HA   GLY  64          2HA       GLY  64  -3.087  -9.465   0.962
  458    H    CYS  65           H        CYS  65  -0.742  -9.449   2.080
  459    HA   CYS  65           HA       CYS  65   0.827  -8.097  -0.068
  460   1HB   CYS  65          1HB       CYS  65   0.469  -7.294   2.791
  461   2HB   CYS  65          2HB       CYS  65   0.989  -6.273   1.445
  462    H    HIS  66           H        HIS  66   1.070  -9.986   2.928
  463    HA   HIS  66           HA       HIS  66   4.028  -9.793   2.970
  464   1HB   HIS  66          1HB       HIS  66   2.079 -11.411   4.660
  465   2HB   HIS  66          2HB       HIS  66   3.822 -11.374   4.872
  466    HD1  HIS  66           HND      HIS  66   4.594  -8.471   4.963
  467    HD2  HIS  66           HD       HIS  66   0.862  -9.782   6.311
  468    HE1  HIS  66           HE       HIS  66   3.656  -6.643   6.518
  469    H    ILE  67           H        ILE  67   5.164 -11.160   1.637
  470    HA   ILE  67           HA       ILE  67   3.683 -13.293   0.256
  471    HB   ILE  67           HB       ILE  67   6.593 -12.483   0.003
  472   1HG1  ILE  67          1HG1      ILE  67   5.223 -10.509  -0.432
  473   2HG1  ILE  67          2HG1      ILE  67   5.898 -11.139  -1.929
  474   1HG2  ILE  67          1HG2      ILE  67   6.319 -13.471  -2.294
  475   2HG2  ILE  67          2HG2      ILE  67   6.197 -14.663  -1.000
  476   3HG2  ILE  67          3HG2      ILE  67   4.730 -14.091  -1.803
  477   1HD1  ILE  67          1HD1      ILE  67   3.601 -10.421  -2.256
  478   2HD1  ILE  67          2HD1      ILE  67   3.684 -12.174  -2.474
  479   3HD1  ILE  67          3HD1      ILE  67   3.019 -11.484  -0.972
  480    H    LYS  68           H        LYS  68   3.185 -14.329   2.396
  481    HA   LYS  68           HA       LYS  68   4.739 -16.726   2.579
  482   1HB   LYS  68          1HB       LYS  68   4.415 -14.893   5.011
  483   2HB   LYS  68          2HB       LYS  68   4.656 -16.638   5.109
  484   1HG   LYS  68          1HG       LYS  68   6.814 -16.288   3.727
  485   2HG   LYS  68          2HG       LYS  68   6.577 -14.562   4.022
  486   1HD   LYS  68          1HD       LYS  68   8.052 -15.242   5.710
  487   2HD   LYS  68          2HD       LYS  68   6.472 -15.073   6.498
  488   1HE   LYS  68          1HE       LYS  68   6.164 -17.566   6.371
  489   2HE   LYS  68          2HE       LYS  68   7.738 -17.704   5.573
  490   1HZ   LYS  68          1HZ       LYS  68   7.860 -18.153   7.917
  491   2HZ   LYS  68          2HZ       LYS  68   8.736 -16.803   7.564
  492   3HZ   LYS  68          3HZ       LYS  68   7.262 -16.664   8.286
  493    HHA  HEC  69           HCM      HEC  69   8.345   7.266  -1.329
  494    HHB  HEC  69           HDM      HEC  69   6.802  10.302  -6.666
  495    HHC  HEC  69           HAM      HEC  69   1.497   6.755  -7.148
  496    HHD  HEC  69           HBM      HEC  69   2.665   4.459  -1.304
  497   1HMA  HEC  69          HM81      HEC  69  10.158  10.189  -5.454
  498   2HMA  HEC  69          HM82      HEC  69   8.759  11.000  -6.166
  499   3HMA  HEC  69          HM83      HEC  69   9.307  11.451  -4.548
  500   1HAA  HEC  69          HP71      HEC  69  10.401  10.018  -2.870
  501   2HAA  HEC  69          HP72      HEC  69   9.637   9.129  -1.571
  502   1HBA  HEC  69          HP73      HEC  69  10.375   7.077  -3.285
  503   2HBA  HEC  69          HP74      HEC  69  11.670   8.248  -3.539
  504   1HMB  HEC  69          HM11      HEC  69   4.215  11.216  -8.707
  505   2HMB  HEC  69          HM12      HEC  69   5.928  10.852  -8.501
  506   3HMB  HEC  69          HM13      HEC  69   5.023  10.018  -9.753
  507    HAB  HEC  69          HT2A      HEC  69   1.435   8.177  -8.681
  508   1HBB  HEC  69          HT21      HEC  69   3.099   8.570 -10.595
  509   2HBB  HEC  69          HT22      HEC  69   1.461   9.218 -10.726
  510   3HBB  HEC  69          HT23      HEC  69   2.788  10.302 -10.311
  511   1HMC  HEC  69          HM31      HEC  69   0.040   4.821  -6.696
  512   2HMC  HEC  69          HM32      HEC  69  -0.974   4.723  -5.247
  513   3HMC  HEC  69          HM33      HEC  69  -0.590   6.298  -5.925
  514    HAC  HEC  69          HT4A      HEC  69   0.583   4.354  -1.676
  515   1HBC  HEC  69          HT41      HEC  69  -0.938   2.613  -2.273
  516   2HBC  HEC  69          HT42      HEC  69  -0.794   2.949  -3.994
  517   3HBC  HEC  69          HT43      HEC  69   0.592   2.304  -3.101
  518   1HMD  HEC  69          HM51      HEC  69   4.706   3.346   0.683
  519   2HMD  HEC  69          HM52      HEC  69   4.885   4.855   1.617
  520   3HMD  HEC  69          HM53      HEC  69   3.420   4.563   0.707
  521   1HAD  HEC  69          HP61      HEC  69   8.510   5.566  -0.072
  522   2HAD  HEC  69          HP62      HEC  69   7.412   6.384   1.020
  523   1HBD  HEC  69          HP63      HEC  69   6.752   3.868   1.653
  524   2HBD  HEC  69          HP64      HEC  69   8.311   3.518   0.895
  525    HHA  HEC  70           HCM      HEC  70  -3.809  -4.822  -6.385
  526    HHB  HEC  70           HDM      HEC  70   0.163  -4.193  -1.418
  527    HHC  HEC  70           HAM      HEC  70  -2.407   1.530  -0.244
  528    HHD  HEC  70           HBM      HEC  70  -6.370   0.904  -5.145
  529   1HMA  HEC  70          HM81      HEC  70   0.918  -5.881  -2.807
  530   2HMA  HEC  70          HM82      HEC  70  -0.392  -7.012  -2.370
  531   3HMA  HEC  70          HM83      HEC  70   0.294  -7.001  -4.010
  532   1HAA  HEC  70          HP71      HEC  70  -1.682  -7.608  -5.016
  533   2HAA  HEC  70          HP72      HEC  70  -3.161  -6.911  -5.635
  534   1HBA  HEC  70          HP73      HEC  70  -1.792  -5.660  -7.346
  535   2HBA  HEC  70          HP74      HEC  70  -0.368  -6.538  -6.768
  536   1HMB  HEC  70          HM11      HEC  70   1.046  -2.008   1.521
  537   2HMB  HEC  70          HM12      HEC  70   0.084  -3.453   1.145
  538   3HMB  HEC  70          HM13      HEC  70   1.506  -3.028   0.151
  539    HAB  HEC  70          HT2A      HEC  70  -1.275   1.107   1.340
  540   1HBB  HEC  70          HT21      HEC  70   1.572   0.155   1.389
  541   2HBB  HEC  70          HT22      HEC  70   0.946   1.490   0.414
  542   3HBB  HEC  70          HT23      HEC  70   0.841   1.579   2.177
  543   1HMC  HEC  70          HM31      HEC  70  -4.479   4.341  -1.647
  544   2HMC  HEC  70          HM32      HEC  70  -4.268   3.342  -0.190
  545   3HMC  HEC  70          HM33      HEC  70  -2.892   3.703  -1.239
  546    HAC  HEC  70          HT4A      HEC  70  -7.273   2.118  -3.495
  547   1HBC  HEC  70          HT41      HEC  70  -5.646   4.639  -3.804
  548   2HBC  HEC  70          HT42      HEC  70  -6.239   3.563  -5.091
  549   3HBC  HEC  70          HT43      HEC  70  -7.384   4.502  -4.135
  550   1HMD  HEC  70          HM51      HEC  70  -7.847  -1.509  -7.464
  551   2HMD  HEC  70          HM52      HEC  70  -7.425   0.096  -6.862
  552   3HMD  HEC  70          HM53      HEC  70  -6.586  -0.569  -8.276
  553   1HAD  HEC  70          HP61      HEC  70  -5.939  -4.644  -7.344
  554   2HAD  HEC  70          HP62      HEC  70  -6.748  -3.376  -8.245
  555   1HBD  HEC  70          HP63      HEC  70  -3.776  -3.446  -8.552
  556   2HBD  HEC  70          HP64      HEC  70  -4.659  -4.838  -9.180
  557    HHA  HEC  71           HCM      HEC  71   3.929  -4.027   8.915
  558    HHB  HEC  71           HDM      HEC  71   1.403  -9.271  11.515
  559    HHC  HEC  71           HAM      HEC  71  -2.365  -9.876   6.439
  560    HHD  HEC  71           HBM      HEC  71   0.030  -4.609   3.907
  561   1HMA  HEC  71          HM81      HEC  71   2.497  -8.203  13.088
  562   2HMA  HEC  71          HM82      HEC  71   4.234  -8.143  12.670
  563   3HMA  HEC  71          HM83      HEC  71   3.414  -6.730  13.347
  564   1HAA  HEC  71          HP71      HEC  71   5.161  -4.521  10.662
  565   2HAA  HEC  71          HP72      HEC  71   5.038  -5.471  12.146
  566   1HBA  HEC  71          HP73      HEC  71   5.905  -7.439  10.995
  567   2HBA  HEC  71          HP74      HEC  71   6.064  -6.507   9.488
  568   1HMB  HEC  71          HM11      HEC  71  -0.338 -12.409  10.504
  569   2HMB  HEC  71          HM12      HEC  71   0.723 -11.349  11.403
  570   3HMB  HEC  71          HM13      HEC  71  -1.019 -11.321  11.746
  571    HAB  HEC  71          HT2A      HEC  71  -3.339 -10.832   8.193
  572   1HBB  HEC  71          HT21      HEC  71  -3.170 -11.469  10.637
  573   2HBB  HEC  71          HT22      HEC  71  -4.040 -12.559   9.562
  574   3HBB  HEC  71          HT23      HEC  71  -2.410 -12.988  10.077
  575   1HMC  HEC  71          HM31      HEC  71  -2.551 -10.030   4.252
  576   2HMC  HEC  71          HM32      HEC  71  -3.914  -9.038   4.726
  577   3HMC  HEC  71          HM33      HEC  71  -3.207  -8.857   3.098
  578    HAC  HEC  71          HT4A      HEC  71  -1.818  -5.009   3.000
  579   1HBC  HEC  71          HT41      HEC  71  -4.085  -5.816   3.725
  580   2HBC  HEC  71          HT42      HEC  71  -3.873  -5.215   2.066
  581   3HBC  HEC  71          HT43      HEC  71  -4.008  -6.950   2.357
  582   1HMD  HEC  71          HM51      HEC  71   1.084  -1.894   4.380
  583   2HMD  HEC  71          HM52      HEC  71   2.822  -2.108   4.137
  584   3HMD  HEC  71          HM53      HEC  71   1.658  -3.217   3.390
  585   1HAD  HEC  71          HP61      HEC  71   3.753  -1.523   6.074
  586   2HAD  HEC  71          HP62      HEC  71   3.464  -1.875   7.759
  587   1HBD  HEC  71          HP63      HEC  71   5.300  -3.840   7.097
  588   2HBD  HEC  71          HP64      HEC  71   5.799  -2.495   6.076
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1  10.300   3.341  -5.827
    2   2H    ALA   1          2H        ALA   1  11.535   4.363  -6.245
    3   3H    ALA   1          3H        ALA   1   9.979   4.619  -6.784
    4    HA   ALA   1           HA       ALA   1  11.451   3.706  -8.498
    5   1HB   ALA   1          1HB       ALA   1  11.864   1.268  -8.368
    6   2HB   ALA   1          2HB       ALA   1  12.630   2.098  -7.006
    7   3HB   ALA   1          3HB       ALA   1  11.106   1.222  -6.763
    8    H    ASP   2           H        ASP   2  10.170   1.306  -9.622
    9    HA   ASP   2           HA       ASP   2   7.419   2.090  -9.823
   10   1HB   ASP   2          1HB       ASP   2   7.523   0.199 -11.529
   11   2HB   ASP   2          2HB       ASP   2   8.696   1.483 -11.878
   12    H    VAL   3           H        VAL   3   9.474  -0.529  -8.584
   13    HA   VAL   3           HA       VAL   3   7.171  -1.272  -6.828
   14    HB   VAL   3           HB       VAL   3   7.442  -3.139  -8.161
   15   1HG1  VAL   3          1HG1      VAL   3  10.460  -2.935  -7.813
   16   2HG1  VAL   3          2HG1      VAL   3   9.607  -4.302  -8.557
   17   3HG1  VAL   3          3HG1      VAL   3   9.528  -2.710  -9.311
   18   1HG2  VAL   3          1HG2      VAL   3   9.183  -3.815  -5.755
   19   2HG2  VAL   3          2HG2      VAL   3   7.424  -3.616  -5.667
   20   3HG2  VAL   3          3HG2      VAL   3   8.119  -4.892  -6.674
   21    H    VAL   4           H        VAL   4   7.385  -0.890  -4.609
   22    HA   VAL   4           HA       VAL   4  10.179  -1.085  -3.567
   23    HB   VAL   4           HB       VAL   4   7.851   0.570  -2.545
   24   1HG1  VAL   4          1HG1      VAL   4   9.105  -0.407  -0.631
   25   2HG1  VAL   4          2HG1      VAL   4  10.641   0.037  -1.388
   26   3HG1  VAL   4          3HG1      VAL   4   9.548   1.295  -0.790
   27   1HG2  VAL   4          1HG2      VAL   4   9.004   1.680  -4.392
   28   2HG2  VAL   4          2HG2      VAL   4   9.382   2.482  -2.856
   29   3HG2  VAL   4          3HG2      VAL   4  10.577   1.393  -3.603
   30    H    THR   5           H        THR   5  10.292  -2.271  -1.631
   31    HA   THR   5           HA       THR   5   7.770  -3.257  -0.633
   32    HB   THR   5           HB       THR   5   8.657  -5.256  -1.741
   33    HG1  THR   5           HG1      THR   5   7.994  -5.070   0.604
   34   1HG2  THR   5          1HG2      THR   5  11.240  -4.840  -0.162
   35   2HG2  THR   5          2HG2      THR   5  10.836  -6.253  -1.148
   36   3HG2  THR   5          3HG2      THR   5  11.060  -4.675  -1.923
   37    H    TYR   6           H        TYR   6   7.526  -3.232   1.466
   38    HA   TYR   6           HA       TYR   6   9.726  -2.253   3.219
   39   1HB   TYR   6          1HB       TYR   6   6.855  -3.066   3.839
   40   2HB   TYR   6          2HB       TYR   6   8.035  -2.501   5.014
   41    HD1  TYR   6           HD1      TYR   6   9.258  -0.185   4.278
   42    HD2  TYR   6           HD2      TYR   6   5.346  -1.458   2.988
   43    HE1  TYR   6           HE1      TYR   6   8.731   2.121   3.588
   44    HE2  TYR   6           HE2      TYR   6   4.879   0.842   2.222
   45    HH   TYR   6           HH       TYR   6   7.203   3.479   2.628
   46    H    GLU   7           H        GLU   7  11.250  -3.873   3.399
   47    HA   GLU   7           HA       GLU   7  10.555  -6.645   3.492
   48   1HB   GLU   7          1HB       GLU   7  13.085  -5.306   4.328
   49   2HB   GLU   7          2HB       GLU   7  12.817  -7.034   4.061
   50   1HG   GLU   7          1HG       GLU   7  12.226  -6.538   1.658
   51   2HG   GLU   7          2HG       GLU   7  12.690  -4.843   1.927
   52    H    ASN   8           H        ASN   8   8.952  -6.094   5.171
   53    HA   ASN   8           HA       ASN   8   9.746  -5.925   7.973
   54   1HB   ASN   8          1HB       ASN   8   7.513  -5.752   8.499
   55   2HB   ASN   8          2HB       ASN   8   7.517  -5.160   6.831
   56   1HD2  ASN   8          1HD2      ASN   8   7.805  -7.821   5.660
   57   2HD2  ASN   8          2HD2      ASN   8   6.179  -8.455   5.662
   58    H    LYS   9           H        LYS   9   8.886  -7.653   9.541
   59    HA   LYS   9           HA       LYS   9  10.638  -9.733   8.932
   60   1HB   LYS   9          1HB       LYS   9  10.290  -8.697  11.204
   61   2HB   LYS   9          2HB       LYS   9   8.654  -9.347  11.227
   62   1HG   LYS   9          1HG       LYS   9   9.859 -10.643  12.674
   63   2HG   LYS   9          2HG       LYS   9   9.585 -11.691  11.304
   64   1HD   LYS   9          1HD       LYS   9  12.109 -10.054  11.856
   65   2HD   LYS   9          2HD       LYS   9  11.884 -11.705  12.430
   66   1HE   LYS   9          1HE       LYS   9  12.367 -10.759   9.584
   67   2HE   LYS   9          2HE       LYS   9  13.319 -11.852  10.567
   68   1HZ   LYS   9          1HZ       LYS   9  10.667 -12.434   9.420
   69   2HZ   LYS   9          2HZ       LYS   9  12.101 -13.083   8.976
   70   3HZ   LYS   9          3HZ       LYS   9  11.472 -13.438  10.457
   71    H    LYS  10           H        LYS  10   7.185  -9.564   9.068
   72    HA   LYS  10           HA       LYS  10   6.197 -12.125   9.095
   73   1HB   LYS  10          1HB       LYS  10   5.522  -9.830   7.203
   74   2HB   LYS  10          2HB       LYS  10   4.550 -11.281   7.195
   75   1HG   LYS  10          1HG       LYS  10   5.061  -9.900   9.812
   76   2HG   LYS  10          2HG       LYS  10   4.012  -9.117   8.644
   77   1HD   LYS  10          1HD       LYS  10   2.762 -10.474  10.268
   78   2HD   LYS  10          2HD       LYS  10   2.437 -10.933   8.607
   79   1HE   LYS  10          1HE       LYS  10   4.382 -12.428  10.459
   80   2HE   LYS  10          2HE       LYS  10   2.658 -12.770  10.404
   81   1HZ   LYS  10          1HZ       LYS  10   3.796 -14.284   9.008
   82   2HZ   LYS  10          2HZ       LYS  10   2.852 -13.326   8.074
   83   3HZ   LYS  10          3HZ       LYS  10   4.477 -13.099   8.113
   84    H    GLY  11           H        GLY  11   7.289 -10.473   6.215
   85   1HA   GLY  11          1HA       GLY  11   8.980 -12.161   4.945
   86   2HA   GLY  11          2HA       GLY  11   7.415 -12.889   4.557
   87    H    ASN  12           H        ASN  12   8.650  -9.625   5.062
   88    HA   ASN  12           HA       ASN  12   8.655  -7.703   3.872
   89   1HB   ASN  12          1HB       ASN  12   8.542  -9.440   1.408
   90   2HB   ASN  12          2HB       ASN  12   9.160  -7.797   1.551
   91   1HD2  ASN  12          1HD2      ASN  12  10.356  -8.850   4.423
   92   2HD2  ASN  12          2HD2      ASN  12  11.859  -9.500   3.806
   93    H    VAL  13           H        VAL  13   7.450  -6.531   1.934
   94    HA   VAL  13           HA       VAL  13   4.666  -7.279   1.468
   95    HB   VAL  13           HB       VAL  13   5.401  -4.726   3.001
   96   1HG1  VAL  13          1HG1      VAL  13   3.088  -5.399   1.204
   97   2HG1  VAL  13          2HG1      VAL  13   2.756  -4.433   2.643
   98   3HG1  VAL  13          3HG1      VAL  13   3.911  -3.849   1.441
   99   1HG2  VAL  13          1HG2      VAL  13   3.463  -6.975   3.565
  100   2HG2  VAL  13          2HG2      VAL  13   4.931  -6.524   4.512
  101   3HG2  VAL  13          3HG2      VAL  13   3.546  -5.463   4.482
  102    H    THR  14           H        THR  14   4.712  -7.028  -0.791
  103    HA   THR  14           HA       THR  14   6.159  -4.700  -1.920
  104    HB   THR  14           HB       THR  14   6.109  -6.692  -3.330
  105    HG1  THR  14           HG1      THR  14   4.890  -5.233  -5.100
  106   1HG2  THR  14          1HG2      THR  14   3.117  -6.194  -3.655
  107   2HG2  THR  14          2HG2      THR  14   4.102  -7.403  -4.485
  108   3HG2  THR  14          3HG2      THR  14   3.805  -7.558  -2.743
  109    H    PHE  15           H        PHE  15   5.172  -2.846  -2.520
  110    HA   PHE  15           HA       PHE  15   2.186  -2.694  -2.456
  111   1HB   PHE  15          1HB       PHE  15   2.484  -0.250  -1.996
  112   2HB   PHE  15          2HB       PHE  15   2.792  -1.326  -0.642
  113    HD1  PHE  15           HD1      PHE  15   4.013   1.486  -2.401
  114    HD2  PHE  15           HD2      PHE  15   5.259  -1.960  -0.112
  115    HE1  PHE  15           HE1      PHE  15   5.818   2.815  -1.330
  116    HE2  PHE  15           HE2      PHE  15   7.193  -0.686   0.731
  117    HZ   PHE  15           HZ       PHE  15   7.383   1.724   0.259
  118    H    ASP  16           H        ASP  16   4.467  -3.365  -4.443
  119    HA   ASP  16           HA       ASP  16   5.547  -2.547  -6.204
  120   1HB   ASP  16          1HB       ASP  16   2.655  -2.142  -6.949
  121   2HB   ASP  16          2HB       ASP  16   4.003  -1.955  -8.108
  122    H    HIS  17           H        HIS  17   3.676  -0.080  -7.386
  123    HA   HIS  17           HA       HIS  17   3.656   2.092  -5.808
  124   1HB   HIS  17          1HB       HIS  17   6.150   2.033  -5.450
  125   2HB   HIS  17          2HB       HIS  17   6.405   2.109  -7.173
  126    HD1  HIS  17           HND      HIS  17   7.015   4.501  -7.825
  127    HD2  HIS  17           HD       HIS  17   4.482   4.211  -4.483
  128    HE1  HIS  17           HE       HIS  17   6.539   6.912  -7.016
  129    H    LYS  18           H        LYS  18   5.364   1.657  -8.875
  130    HA   LYS  18           HA       LYS  18   4.034   3.540 -10.514
  131   1HB   LYS  18          1HB       LYS  18   6.029   2.685 -11.322
  132   2HB   LYS  18          2HB       LYS  18   5.550   0.987 -11.006
  133   1HG   LYS  18          1HG       LYS  18   4.067   0.965 -12.817
  134   2HG   LYS  18          2HG       LYS  18   4.193   2.734 -13.048
  135   1HD   LYS  18          1HD       LYS  18   6.496   2.492 -13.776
  136   2HD   LYS  18          2HD       LYS  18   6.454   0.743 -13.425
  137   1HE   LYS  18          1HE       LYS  18   4.599   0.437 -15.060
  138   2HE   LYS  18          2HE       LYS  18   4.649   2.158 -15.456
  139   1HZ   LYS  18          1HZ       LYS  18   6.885   1.820 -16.279
  140   2HZ   LYS  18          2HZ       LYS  18   6.831   0.220 -15.874
  141   3HZ   LYS  18          3HZ       LYS  18   5.821   0.812 -17.032
  142    H    ALA  19           H        ALA  19   3.423   0.034 -10.056
  143    HA   ALA  19           HA       ALA  19   1.220  -0.431 -11.618
  144   1HB   ALA  19          1HB       ALA  19   0.560  -2.081  -9.885
  145   2HB   ALA  19          2HB       ALA  19   2.323  -2.099 -10.154
  146   3HB   ALA  19          3HB       ALA  19   1.639  -1.257  -8.739
  147    H    HIS  20           H        HIS  20   1.014   0.672  -8.190
  148    HA   HIS  20           HA       HIS  20  -1.804   1.109  -8.162
  149   1HB   HIS  20          1HB       HIS  20   0.516   2.215  -6.518
  150   2HB   HIS  20          2HB       HIS  20  -1.156   2.679  -6.255
  151    HD1  HIS  20           HND      HIS  20   1.216  -0.164  -5.401
  152    HD2  HIS  20           HD       HIS  20  -2.875   0.856  -5.251
  153    HE1  HIS  20           HE       HIS  20   0.101  -1.774  -3.813
  154    H    ALA  21           H        ALA  21   0.987   3.134  -8.995
  155    HA   ALA  21           HA       ALA  21  -0.437   5.618  -9.177
  156   1HB   ALA  21          1HB       ALA  21   1.457   6.497 -10.308
  157   2HB   ALA  21          2HB       ALA  21   2.070   5.360  -9.080
  158   3HB   ALA  21          3HB       ALA  21   2.040   4.904 -10.789
  159    H    GLU  22           H        GLU  22   0.297   3.240 -11.703
  160    HA   GLU  22           HA       GLU  22  -0.916   4.825 -13.806
  161   1HB   GLU  22          1HB       GLU  22  -0.554   2.900 -15.268
  162   2HB   GLU  22          2HB       GLU  22   0.902   3.390 -14.388
  163   1HG   GLU  22          1HG       GLU  22   0.486   1.470 -12.812
  164   2HG   GLU  22          2HG       GLU  22  -0.844   0.956 -13.854
  165    H    LYS  23           H        LYS  23  -1.987   2.073 -11.805
  166    HA   LYS  23           HA       LYS  23  -4.521   1.738 -13.134
  167   1HB   LYS  23          1HB       LYS  23  -3.658   1.196 -10.268
  168   2HB   LYS  23          2HB       LYS  23  -5.183   0.649 -10.966
  169   1HG   LYS  23          1HG       LYS  23  -2.428  -0.117 -12.048
  170   2HG   LYS  23          2HG       LYS  23  -3.389  -1.021 -10.855
  171   1HD   LYS  23          1HD       LYS  23  -5.241  -0.860 -12.805
  172   2HD   LYS  23          2HD       LYS  23  -3.824  -0.556 -13.815
  173   1HE   LYS  23          1HE       LYS  23  -4.702  -3.054 -12.382
  174   2HE   LYS  23          2HE       LYS  23  -4.032  -2.872 -14.011
  175   1HZ   LYS  23          1HZ       LYS  23  -2.677  -2.913 -11.413
  176   2HZ   LYS  23          2HZ       LYS  23  -2.461  -3.956 -12.628
  177   3HZ   LYS  23          3HZ       LYS  23  -1.862  -2.416 -12.777
  178    H    LEU  24           H        LEU  24  -3.556   3.637 -10.236
  179    HA   LEU  24           HA       LEU  24  -6.305   4.608  -9.895
  180   1HB   LEU  24          1HB       LEU  24  -3.764   5.185  -8.333
  181   2HB   LEU  24          2HB       LEU  24  -5.399   5.634  -7.864
  182    HG   LEU  24           HG       LEU  24  -4.607   2.715  -8.297
  183   1HD1  LEU  24          1HD1      LEU  24  -3.113   3.655  -6.622
  184   2HD1  LEU  24          2HD1      LEU  24  -4.469   4.366  -5.756
  185   3HD1  LEU  24          3HD1      LEU  24  -4.310   2.602  -5.845
  186   1HD2  LEU  24          1HD2      LEU  24  -7.029   3.139  -8.273
  187   2HD2  LEU  24          2HD2      LEU  24  -6.536   2.347  -6.771
  188   3HD2  LEU  24          3HD2      LEU  24  -6.874   4.085  -6.775
  189    H    GLY  25           H        GLY  25  -3.032   6.147 -10.392
  190   1HA   GLY  25          1HA       GLY  25  -3.354   8.034 -12.112
  191   2HA   GLY  25          2HA       GLY  25  -4.327   8.777 -10.819
  192    H    CYS  26           H        CYS  26  -3.341   9.074  -8.752
  193    HA   CYS  26           HA       CYS  26  -0.626   8.737  -8.060
  194   1HB   CYS  26          1HB       CYS  26  -0.412  10.453 -10.136
  195   2HB   CYS  26          2HB       CYS  26  -1.032  11.609  -8.988
  196    H    ASP  27           H        ASP  27  -3.195  10.912  -8.199
  197    HA   ASP  27           HA       ASP  27  -3.400  12.584  -6.002
  198   1HB   ASP  27          1HB       ASP  27  -5.812  12.335  -6.525
  199   2HB   ASP  27          2HB       ASP  27  -4.840  12.644  -7.964
  200    H    ALA  28           H        ALA  28  -4.401   9.279  -6.520
  201    HA   ALA  28           HA       ALA  28  -5.767   8.601  -4.279
  202   1HB   ALA  28          1HB       ALA  28  -3.698   6.937  -5.765
  203   2HB   ALA  28          2HB       ALA  28  -5.011   6.298  -4.733
  204   3HB   ALA  28          3HB       ALA  28  -5.395   7.194  -6.226
  205    H    CYS  29           H        CYS  29  -2.235   8.932  -4.454
  206    HA   CYS  29           HA       CYS  29  -2.068   8.409  -1.494
  207   1HB   CYS  29          1HB       CYS  29  -0.032   7.732  -3.581
  208   2HB   CYS  29          2HB       CYS  29   0.105   7.445  -1.835
  209    H    HIS  30           H        HIS  30  -0.863  10.354  -4.285
  210    HA   HIS  30           HA       HIS  30   0.344  12.277  -2.321
  211   1HB   HIS  30          1HB       HIS  30   1.486  11.467  -4.986
  212   2HB   HIS  30          2HB       HIS  30   2.113  12.675  -3.914
  213    HD1  HIS  30           HND      HIS  30   3.833  11.543  -1.863
  214    HD2  HIS  30           HD       HIS  30   2.090   9.094  -4.819
  215    HE1  HIS  30           HE       HIS  30   5.347   9.538  -2.234
  216    H    GLU  31           H        GLU  31  -0.053  14.403  -2.889
  217    HA   GLU  31           HA       GLU  31  -1.103  15.012  -5.584
  218   1HB   GLU  31          1HB       GLU  31  -2.842  16.527  -4.525
  219   2HB   GLU  31          2HB       GLU  31  -3.132  14.813  -4.753
  220   1HG   GLU  31          1HG       GLU  31  -3.557  14.487  -2.689
  221   2HG   GLU  31          2HG       GLU  31  -2.013  15.094  -2.092
  222    H    GLY  32           H        GLY  32  -1.300  17.291  -2.916
  223   1HA   GLY  32          1HA       GLY  32  -0.244  19.421  -4.079
  224   2HA   GLY  32          2HA       GLY  32  -0.044  19.117  -2.349
  225    H    THR  33           H        THR  33   1.829  17.031  -2.368
  226    HA   THR  33           HA       THR  33   4.037  17.571  -4.143
  227    HB   THR  33           HB       THR  33   4.168  18.333  -1.195
  228    HG1  THR  33           HG1      THR  33   3.800  19.790  -3.203
  229   1HG2  THR  33          1HG2      THR  33   6.533  17.836  -3.053
  230   2HG2  THR  33          2HG2      THR  33   6.607  18.598  -1.453
  231   3HG2  THR  33          3HG2      THR  33   6.123  16.903  -1.589
  232    HA   PRO  34           HA       PRO  34   3.805  13.320  -2.972
  233   1HB   PRO  34          1HB       PRO  34   5.876  12.149  -4.335
  234   2HB   PRO  34          2HB       PRO  34   4.371  12.717  -5.105
  235   1HG   PRO  34          1HG       PRO  34   7.001  14.158  -4.891
  236   2HG   PRO  34          2HG       PRO  34   5.939  13.992  -6.324
  237   1HD   PRO  34          1HD       PRO  34   5.939  16.256  -4.776
  238   2HD   PRO  34          2HD       PRO  34   4.437  15.626  -5.515
  239    H    ALA  35           H        ALA  35   7.136  14.530  -2.830
  240    HA   ALA  35           HA       ALA  35   8.905  13.891  -1.493
  241   1HB   ALA  35          1HB       ALA  35   8.016  15.988  -0.670
  242   2HB   ALA  35          2HB       ALA  35   6.879  15.129   0.400
  243   3HB   ALA  35          3HB       ALA  35   8.631  15.030   0.679
  244    H    LYS  36           H        LYS  36   8.283  11.466  -1.863
  245    HA   LYS  36           HA       LYS  36   7.688   9.463  -1.234
  246   1HB   LYS  36          1HB       LYS  36   9.230   8.493   0.259
  247   2HB   LYS  36          2HB       LYS  36  10.042   9.770  -0.639
  248   1HG   LYS  36          1HG       LYS  36   9.862  11.295   1.297
  249   2HG   LYS  36          2HG       LYS  36   9.124  10.014   2.243
  250   1HD   LYS  36          1HD       LYS  36  11.915  10.233   1.034
  251   2HD   LYS  36          2HD       LYS  36  11.514  10.093   2.749
  252   1HE   LYS  36          1HE       LYS  36  11.280   7.913   0.594
  253   2HE   LYS  36          2HE       LYS  36  12.513   8.034   1.806
  254   1HZ   LYS  36          1HZ       LYS  36   9.681   7.783   2.620
  255   2HZ   LYS  36          2HZ       LYS  36  10.575   6.497   2.152
  256   3HZ   LYS  36          3HZ       LYS  36  11.032   7.398   3.466
  257    H    ILE  37           H        ILE  37   7.518   8.107   1.206
  258    HA   ILE  37           HA       ILE  37   5.789   9.513   2.996
  259    HB   ILE  37           HB       ILE  37   4.784   6.809   2.031
  260   1HG1  ILE  37          1HG1      ILE  37   4.570   8.342   0.134
  261   2HG1  ILE  37          2HG1      ILE  37   3.173   7.498   0.737
  262   1HG2  ILE  37          1HG2      ILE  37   3.413   9.066   3.598
  263   2HG2  ILE  37          2HG2      ILE  37   2.676   7.513   3.165
  264   3HG2  ILE  37          3HG2      ILE  37   3.983   7.587   4.340
  265   1HD1  ILE  37          1HD1      ILE  37   2.133   9.414   1.632
  266   2HD1  ILE  37          2HD1      ILE  37   3.602  10.395   1.516
  267   3HD1  ILE  37          3HD1      ILE  37   2.738   9.894   0.048
  268    H    ALA  38           H        ALA  38   5.407   6.517   3.844
  269    HA   ALA  38           HA       ALA  38   7.771   5.270   4.683
  270   1HB   ALA  38          1HB       ALA  38   7.944   6.216   7.021
  271   2HB   ALA  38          2HB       ALA  38   8.478   7.373   5.787
  272   3HB   ALA  38          3HB       ALA  38   6.859   7.528   6.518
  273    H    ILE  39           H        ILE  39   5.601   4.014   4.021
  274    HA   ILE  39           HA       ILE  39   3.522   4.145   6.050
  275    HB   ILE  39           HB       ILE  39   3.763   2.132   3.807
  276   1HG1  ILE  39          1HG1      ILE  39   2.617   4.957   3.898
  277   2HG1  ILE  39          2HG1      ILE  39   3.885   4.361   2.843
  278   1HG2  ILE  39          1HG2      ILE  39   1.349   3.200   5.318
  279   2HG2  ILE  39          2HG2      ILE  39   1.421   1.774   4.256
  280   3HG2  ILE  39          3HG2      ILE  39   2.225   1.745   5.812
  281   1HD1  ILE  39          1HD1      ILE  39   1.036   3.348   2.793
  282   2HD1  ILE  39          2HD1      ILE  39   1.656   4.623   1.744
  283   3HD1  ILE  39          3HD1      ILE  39   2.337   2.983   1.632
  284    H    ASP  40           H        ASP  40   3.599   3.120   7.852
  285    HA   ASP  40           HA       ASP  40   5.474   0.838   8.297
  286   1HB   ASP  40          1HB       ASP  40   5.603   1.463  10.603
  287   2HB   ASP  40          2HB       ASP  40   6.008   2.853   9.624
  288    H    LYS  41           H        LYS  41   4.739  -0.459  10.070
  289    HA   LYS  41           HA       LYS  41   2.468  -2.049   9.697
  290   1HB   LYS  41          1HB       LYS  41   3.759  -3.076  11.095
  291   2HB   LYS  41          2HB       LYS  41   4.518  -1.589  11.684
  292   1HG   LYS  41          1HG       LYS  41   2.352  -1.550  13.247
  293   2HG   LYS  41          2HG       LYS  41   2.379  -3.280  12.878
  294   1HD   LYS  41          1HD       LYS  41   4.684  -1.558  13.970
  295   2HD   LYS  41          2HD       LYS  41   3.695  -2.692  14.882
  296   1HE   LYS  41          1HE       LYS  41   5.740  -3.803  14.534
  297   2HE   LYS  41          2HE       LYS  41   4.576  -4.570  13.472
  298   1HZ   LYS  41          1HZ       LYS  41   6.705  -2.667  12.634
  299   2HZ   LYS  41          2HZ       LYS  41   6.670  -4.300  12.454
  300   3HZ   LYS  41          3HZ       LYS  41   5.680  -3.396  11.583
  301    H    LYS  42           H        LYS  42   2.659   0.617  11.986
  302    HA   LYS  42           HA       LYS  42  -0.037   0.665  12.843
  303   1HB   LYS  42          1HB       LYS  42   2.021   2.789  12.377
  304   2HB   LYS  42          2HB       LYS  42   0.460   3.192  13.120
  305   1HG   LYS  42          1HG       LYS  42   0.945   2.054  15.087
  306   2HG   LYS  42          2HG       LYS  42   2.101   0.966  14.322
  307   1HD   LYS  42          1HD       LYS  42   3.121   2.626  15.870
  308   2HD   LYS  42          2HD       LYS  42   3.836   2.574  14.263
  309   1HE   LYS  42          1HE       LYS  42   1.749   4.671  15.056
  310   2HE   LYS  42          2HE       LYS  42   3.483   4.863  15.350
  311   1HZ   LYS  42          1HZ       LYS  42   3.769   4.426  12.902
  312   2HZ   LYS  42          2HZ       LYS  42   2.188   4.687  12.725
  313   3HZ   LYS  42          3HZ       LYS  42   3.131   5.892  13.318
  314    H    SER  43           H        SER  43   1.405   2.756  10.219
  315    HA   SER  43           HA       SER  43  -1.120   3.863   9.550
  316   1HB   SER  43          1HB       SER  43   1.334   3.657   7.761
  317   2HB   SER  43          2HB       SER  43   0.022   4.850   7.675
  318    HG   SER  43           HG       SER  43   2.034   4.499   9.637
  319    H    ALA  44           H        ALA  44   0.808   1.383   7.890
  320    HA   ALA  44           HA       ALA  44  -0.723   0.565   5.773
  321   1HB   ALA  44          1HB       ALA  44   0.373  -1.581   6.046
  322   2HB   ALA  44          2HB       ALA  44   1.519  -0.254   6.387
  323   3HB   ALA  44          3HB       ALA  44   0.824  -1.186   7.719
  324    H    HIS  45           H        HIS  45  -0.898  -0.811   9.092
  325    HA   HIS  45           HA       HIS  45  -3.425  -2.179   8.420
  326   1HB   HIS  45          1HB       HIS  45  -1.386  -2.471  10.629
  327   2HB   HIS  45          2HB       HIS  45  -3.005  -3.087  10.825
  328    HD1  HIS  45           HND      HIS  45  -3.734  -5.209   9.641
  329    HD2  HIS  45           HD       HIS  45   0.149  -3.892   8.720
  330    HE1  HIS  45           HE       HIS  45  -2.599  -7.109   8.429
  331    H    LYS  46           H        LYS  46  -3.228   0.869   8.818
  332    HA   LYS  46           HA       LYS  46  -5.669   0.921  10.541
  333   1HB   LYS  46          1HB       LYS  46  -3.809   1.717  11.869
  334   2HB   LYS  46          2HB       LYS  46  -3.372   2.913  10.652
  335   1HG   LYS  46          1HG       LYS  46  -6.106   2.918  12.008
  336   2HG   LYS  46          2HG       LYS  46  -4.666   3.638  12.753
  337   1HD   LYS  46          1HD       LYS  46  -4.315   4.962  10.630
  338   2HD   LYS  46          2HD       LYS  46  -5.942   4.448  10.125
  339   1HE   LYS  46          1HE       LYS  46  -6.920   5.562  12.092
  340   2HE   LYS  46          2HE       LYS  46  -5.299   6.083  12.607
  341   1HZ   LYS  46          1HZ       LYS  46  -6.561   6.785  10.024
  342   2HZ   LYS  46          2HZ       LYS  46  -6.384   7.840  11.307
  343   3HZ   LYS  46          3HZ       LYS  46  -5.108   7.204  10.432
  344    H    ASP  47           H        ASP  47  -3.762   3.130   8.472
  345    HA   ASP  47           HA       ASP  47  -6.282   4.067   7.165
  346   1HB   ASP  47          1HB       ASP  47  -3.447   5.211   7.289
  347   2HB   ASP  47          2HB       ASP  47  -4.704   5.819   6.208
  348    H    ALA  48           H        ALA  48  -2.943   3.107   6.356
  349    HA   ALA  48           HA       ALA  48  -3.409   4.041   3.760
  350   1HB   ALA  48          1HB       ALA  48  -1.093   3.466   3.325
  351   2HB   ALA  48          2HB       ALA  48  -1.278   4.243   4.908
  352   3HB   ALA  48          3HB       ALA  48  -1.010   2.497   4.816
  353    H    CYS  49           H        CYS  49  -2.492   0.631   4.570
  354    HA   CYS  49           HA       CYS  49  -3.213  -0.111   1.812
  355   1HB   CYS  49          1HB       CYS  49  -2.077  -1.933   3.867
  356   2HB   CYS  49          2HB       CYS  49  -1.964  -2.060   2.121
  357    H    LYS  50           H        LYS  50  -3.984  -1.005   5.221
  358    HA   LYS  50           HA       LYS  50  -5.810  -3.096   4.443
  359   1HB   LYS  50          1HB       LYS  50  -4.342  -2.987   6.476
  360   2HB   LYS  50          2HB       LYS  50  -5.383  -1.702   7.083
  361   1HG   LYS  50          1HG       LYS  50  -7.255  -3.713   6.675
  362   2HG   LYS  50          2HG       LYS  50  -5.805  -4.669   6.845
  363   1HD   LYS  50          1HD       LYS  50  -6.950  -4.440   8.997
  364   2HD   LYS  50          2HD       LYS  50  -5.345  -3.721   9.046
  365   1HE   LYS  50          1HE       LYS  50  -7.049  -2.397  10.276
  366   2HE   LYS  50          2HE       LYS  50  -6.228  -1.468   9.034
  367   1HZ   LYS  50          1HZ       LYS  50  -8.081  -1.718   7.599
  368   2HZ   LYS  50          2HZ       LYS  50  -8.916  -2.587   8.725
  369   3HZ   LYS  50          3HZ       LYS  50  -8.516  -1.010   9.000
  370    H    THR  51           H        THR  51  -6.766  -0.878   3.120
  371    HA   THR  51           HA       THR  51  -9.415  -0.400   4.336
  372    HB   THR  51           HB       THR  51  -7.613   1.962   3.655
  373    HG1  THR  51           HG1      THR  51  -7.116   2.067   5.679
  374   1HG2  THR  51          1HG2      THR  51 -10.319   1.793   5.057
  375   2HG2  THR  51          2HG2      THR  51  -9.363   3.266   4.800
  376   3HG2  THR  51          3HG2      THR  51 -10.052   2.409   3.409
  377    H    CYS  52           H        CYS  52  -7.345   1.050   1.742
  378    HA   CYS  52           HA       CYS  52  -9.223   1.387  -0.236
  379   1HB   CYS  52          1HB       CYS  52  -6.292   0.664  -0.207
  380   2HB   CYS  52          2HB       CYS  52  -7.189   0.661  -1.719
  381    H    HIS  53           H        HIS  53  -7.183  -1.561   0.039
  382    HA   HIS  53           HA       HIS  53  -8.589  -2.962  -1.949
  383   1HB   HIS  53          1HB       HIS  53  -7.313  -4.488   0.300
  384   2HB   HIS  53          2HB       HIS  53  -7.407  -4.875  -1.414
  385    HD1  HIS  53           HND      HIS  53  -5.478  -2.642   1.067
  386    HD2  HIS  53           HD       HIS  53  -5.558  -3.484  -3.082
  387    HE1  HIS  53           HE       HIS  53  -3.565  -1.466   0.010
  388    H    LYS  54           H        LYS  54  -9.455  -2.373   1.412
  389    HA   LYS  54           HA       LYS  54 -11.394  -4.560   1.600
  390   1HB   LYS  54          1HB       LYS  54 -10.912  -2.295   3.517
  391   2HB   LYS  54          2HB       LYS  54 -11.876  -3.748   3.767
  392   1HG   LYS  54          1HG       LYS  54  -8.861  -3.600   3.366
  393   2HG   LYS  54          2HG       LYS  54  -9.774  -3.971   4.838
  394   1HD   LYS  54          1HD       LYS  54 -10.748  -5.960   3.508
  395   2HD   LYS  54          2HD       LYS  54  -9.421  -5.646   2.354
  396   1HE   LYS  54          1HE       LYS  54  -7.737  -6.212   3.948
  397   2HE   LYS  54          2HE       LYS  54  -8.851  -6.030   5.311
  398   1HZ   LYS  54          1HZ       LYS  54  -8.868  -8.316   3.415
  399   2HZ   LYS  54          2HZ       LYS  54  -8.469  -8.302   4.973
  400   3HZ   LYS  54          3HZ       LYS  54 -10.016  -8.013   4.544
  401    H    SER  55           H        SER  55 -11.938  -3.203  -0.636
  402    HA   SER  55           HA       SER  55 -14.613  -2.416  -0.442
  403   1HB   SER  55          1HB       SER  55 -14.495  -0.089  -1.216
  404   2HB   SER  55          2HB       SER  55 -13.784  -0.240   0.395
  405    HG   SER  55           HG       SER  55 -11.690  -0.308  -0.708
  406    H    ASN  56           H        ASN  56 -11.657  -1.662  -2.312
  407    HA   ASN  56           HA       ASN  56 -12.644  -2.270  -4.895
  408   1HB   ASN  56          1HB       ASN  56  -9.822  -2.481  -3.761
  409   2HB   ASN  56          2HB       ASN  56 -10.222  -2.740  -5.457
  410   1HD2  ASN  56          1HD2      ASN  56  -9.979  -0.253  -2.900
  411   2HD2  ASN  56          2HD2      ASN  56 -10.115   1.087  -4.022
  412    H    ASN  57           H        ASN  57 -10.771  -4.452  -2.697
  413    HA   ASN  57           HA       ASN  57 -12.264  -6.769  -3.306
  414   1HB   ASN  57          1HB       ASN  57 -11.082  -6.631  -5.520
  415   2HB   ASN  57          2HB       ASN  57  -9.535  -6.697  -4.672
  416   1HD2  ASN  57          1HD2      ASN  57 -11.751  -8.584  -6.311
  417   2HD2  ASN  57          2HD2      ASN  57 -11.386 -10.131  -5.563
  418    H    GLY  58           H        GLY  58 -12.119  -7.577  -1.262
  419   1HA   GLY  58          1HA       GLY  58  -9.777  -6.886   0.398
  420   2HA   GLY  58          2HA       GLY  58 -11.366  -7.393   0.917
  421    HA   PRO  59           HA       PRO  59  -8.877 -11.489   0.091
  422   1HB   PRO  59          1HB       PRO  59  -6.285 -11.374   0.939
  423   2HB   PRO  59          2HB       PRO  59  -6.761 -11.060  -0.754
  424   1HG   PRO  59          1HG       PRO  59  -6.260  -9.015   1.421
  425   2HG   PRO  59          2HG       PRO  59  -5.591  -9.036  -0.239
  426   1HD   PRO  59          1HD       PRO  59  -7.739  -7.539   0.359
  427   2HD   PRO  59          2HD       PRO  59  -7.687  -8.432  -1.187
  428    H    THR  60           H        THR  60  -8.833 -12.922   1.777
  429    HA   THR  60           HA       THR  60  -9.726 -11.856   4.369
  430    HB   THR  60           HB       THR  60 -10.555 -14.310   4.416
  431    HG1  THR  60           HG1      THR  60 -10.593 -15.122   2.139
  432   1HG2  THR  60          1HG2      THR  60 -12.405 -13.879   2.837
  433   2HG2  THR  60          2HG2      THR  60 -12.045 -12.425   3.783
  434   3HG2  THR  60          3HG2      THR  60 -11.497 -12.544   2.099
  435    H    LYS  61           H        LYS  61  -7.962 -14.637   3.106
  436    HA   LYS  61           HA       LYS  61  -6.603 -15.204   5.636
  437   1HB   LYS  61          1HB       LYS  61  -6.318 -16.377   2.842
  438   2HB   LYS  61          2HB       LYS  61  -5.515 -17.030   4.269
  439   1HG   LYS  61          1HG       LYS  61  -8.548 -16.824   3.992
  440   2HG   LYS  61          2HG       LYS  61  -7.574 -18.236   3.560
  441   1HD   LYS  61          1HD       LYS  61  -6.662 -18.277   5.914
  442   2HD   LYS  61          2HD       LYS  61  -7.832 -17.009   6.340
  443   1HE   LYS  61          1HE       LYS  61  -9.702 -18.506   5.653
  444   2HE   LYS  61          2HE       LYS  61  -8.537 -19.759   5.191
  445   1HZ   LYS  61          1HZ       LYS  61  -7.838 -19.881   7.481
  446   2HZ   LYS  61          2HZ       LYS  61  -8.924 -18.724   7.921
  447   3HZ   LYS  61          3HZ       LYS  61  -9.448 -20.172   7.349
  448    H    CYS  62           H        CYS  62  -5.859 -12.744   5.310
  449    HA   CYS  62           HA       CYS  62  -4.218 -11.233   4.912
  450   1HB   CYS  62          1HB       CYS  62  -2.443 -13.618   5.535
  451   2HB   CYS  62          2HB       CYS  62  -1.992 -11.911   5.710
  452    H    GLY  63           H        GLY  63  -1.499 -12.713   3.795
  453   1HA   GLY  63          1HA       GLY  63  -0.731 -13.642   1.882
  454   2HA   GLY  63          2HA       GLY  63  -2.401 -13.811   1.333
  455    H    GLY  64           H        GLY  64  -3.218 -11.208   1.105
  456   1HA   GLY  64          1HA       GLY  64  -2.726 -10.357  -1.381
  457   2HA   GLY  64          2HA       GLY  64  -3.052  -9.238  -0.034
  458    H    CYS  65           H        CYS  65  -0.965  -9.043   1.408
  459    HA   CYS  65           HA       CYS  65   0.904  -7.585  -0.380
  460   1HB   CYS  65          1HB       CYS  65   0.304  -7.264   2.539
  461   2HB   CYS  65          2HB       CYS  65   1.086  -6.084   1.487
  462    H    HIS  66           H        HIS  66   0.963  -9.454   2.694
  463    HA   HIS  66           HA       HIS  66   3.842  -9.761   2.676
  464   1HB   HIS  66          1HB       HIS  66   1.710 -11.408   4.116
  465   2HB   HIS  66          2HB       HIS  66   3.429 -11.478   4.394
  466    HD1  HIS  66           HND      HIS  66   4.382  -8.673   4.823
  467    HD2  HIS  66           HD       HIS  66   0.425  -9.715   5.722
  468    HE1  HIS  66           HE       HIS  66   3.508  -6.990   6.543
  469    H    ILE  67           H        ILE  67   4.950 -11.042   1.292
  470    HA   ILE  67           HA       ILE  67   3.486 -13.023  -0.326
  471    HB   ILE  67           HB       ILE  67   6.450 -12.339  -0.429
  472   1HG1  ILE  67          1HG1      ILE  67   5.426 -11.034  -2.577
  473   2HG1  ILE  67          2HG1      ILE  67   4.076 -10.796  -1.472
  474   1HG2  ILE  67          1HG2      ILE  67   5.661 -14.424  -1.605
  475   2HG2  ILE  67          2HG2      ILE  67   4.494 -13.439  -2.501
  476   3HG2  ILE  67          3HG2      ILE  67   6.239 -13.190  -2.728
  477   1HD1  ILE  67          1HD1      ILE  67   5.736  -8.943  -1.479
  478   2HD1  ILE  67          2HD1      ILE  67   5.652  -9.667   0.129
  479   3HD1  ILE  67          3HD1      ILE  67   7.006 -10.057  -0.953
  480    H    LYS  68           H        LYS  68   3.106 -13.854   2.143
  481    HA   LYS  68           HA       LYS  68   4.497 -16.239   2.701
  482   1HB   LYS  68          1HB       LYS  68   6.043 -13.957   3.342
  483   2HB   LYS  68          2HB       LYS  68   5.180 -14.269   4.834
  484   1HG   LYS  68          1HG       LYS  68   7.131 -15.454   5.086
  485   2HG   LYS  68          2HG       LYS  68   5.973 -16.714   4.606
  486   1HD   LYS  68          1HD       LYS  68   6.760 -16.559   2.248
  487   2HD   LYS  68          2HD       LYS  68   7.857 -15.251   2.661
  488   1HE   LYS  68          1HE       LYS  68   8.011 -18.139   3.662
  489   2HE   LYS  68          2HE       LYS  68   9.034 -17.403   2.418
  490   1HZ   LYS  68          1HZ       LYS  68   9.851 -15.873   4.092
  491   2HZ   LYS  68          2HZ       LYS  68   8.946 -16.615   5.251
  492   3HZ   LYS  68          3HZ       LYS  68  10.158 -17.437   4.504
  493    HHA  HEC  69           HCM      HEC  69   8.362   7.117  -1.969
  494    HHB  HEC  69           HDM      HEC  69   6.562  10.766  -6.894
  495    HHC  HEC  69           HAM      HEC  69   1.293   7.133  -7.454
  496    HHD  HEC  69           HBM      HEC  69   2.453   4.924  -1.598
  497   1HMA  HEC  69          HM81      HEC  69   8.359  11.839  -5.632
  498   2HMA  HEC  69          HM82      HEC  69   9.884  11.107  -5.112
  499   3HMA  HEC  69          HM83      HEC  69   9.180  10.648  -6.672
  500   1HAA  HEC  69          HP71      HEC  69  10.175  10.062  -3.031
  501   2HAA  HEC  69          HP72      HEC  69  10.000   8.418  -2.438
  502   1HBA  HEC  69          HP73      HEC  69  10.942   7.504  -4.477
  503   2HBA  HEC  69          HP74      HEC  69  11.150   9.133  -5.135
  504   1HMB  HEC  69          HM11      HEC  69   3.728  11.607  -9.133
  505   2HMB  HEC  69          HM12      HEC  69   5.215  11.792  -8.248
  506   3HMB  HEC  69          HM13      HEC  69   5.178  10.725  -9.673
  507    HAB  HEC  69          HT2A      HEC  69   1.283   8.523  -9.024
  508   1HBB  HEC  69          HT21      HEC  69   2.852  10.422 -10.758
  509   2HBB  HEC  69          HT22      HEC  69   2.978   8.653 -10.838
  510   3HBB  HEC  69          HT23      HEC  69   1.432   9.450 -11.147
  511   1HMC  HEC  69          HM31      HEC  69  -0.763   6.597  -6.306
  512   2HMC  HEC  69          HM32      HEC  69  -0.140   5.043  -6.922
  513   3HMC  HEC  69          HM33      HEC  69  -1.167   5.093  -5.484
  514    HAC  HEC  69          HT4A      HEC  69   0.386   4.710  -1.936
  515   1HBC  HEC  69          HT41      HEC  69  -1.107   3.329  -4.147
  516   2HBC  HEC  69          HT42      HEC  69   0.416   2.703  -3.485
  517   3HBC  HEC  69          HT43      HEC  69  -0.997   2.925  -2.442
  518   1HMD  HEC  69          HM51      HEC  69   3.680   5.149   0.744
  519   2HMD  HEC  69          HM52      HEC  69   3.886   3.673  -0.218
  520   3HMD  HEC  69          HM53      HEC  69   5.181   4.191   0.869
  521   1HAD  HEC  69          HP61      HEC  69   7.965   6.631   0.005
  522   2HAD  HEC  69          HP62      HEC  69   6.839   5.866   1.059
  523   1HBD  HEC  69          HP63      HEC  69   8.093   3.993   1.014
  524   2HBD  HEC  69          HP64      HEC  69   7.961   3.881  -0.753
  525    HHA  HEC  70           HCM      HEC  70  -3.950  -4.595  -6.241
  526    HHB  HEC  70           HDM      HEC  70   0.147  -4.379  -1.346
  527    HHC  HEC  70           HAM      HEC  70  -1.958   1.445   0.207
  528    HHD  HEC  70           HBM      HEC  70  -6.263   1.052  -4.468
  529   1HMA  HEC  70          HM81      HEC  70  -0.340  -7.368  -3.606
  530   2HMA  HEC  70          HM82      HEC  70   0.815  -6.109  -3.114
  531   3HMA  HEC  70          HM83      HEC  70  -0.437  -6.679  -1.985
  532   1HAA  HEC  70          HP71      HEC  70  -2.678  -6.364  -6.378
  533   2HAA  HEC  70          HP72      HEC  70  -1.360  -7.180  -5.582
  534   1HBA  HEC  70          HP73      HEC  70  -2.911  -7.894  -3.756
  535   2HBA  HEC  70          HP74      HEC  70  -4.238  -7.096  -4.612
  536   1HMB  HEC  70          HM11      HEC  70   0.442  -3.918   0.923
  537   2HMB  HEC  70          HM12      HEC  70   1.851  -3.126   0.232
  538   3HMB  HEC  70          HM13      HEC  70   1.147  -2.546   1.761
  539    HAB  HEC  70          HT2A      HEC  70  -0.321   1.057   1.432
  540   1HBB  HEC  70          HT21      HEC  70   1.905   0.813   0.505
  541   2HBB  HEC  70          HT22      HEC  70   1.949   0.887   2.275
  542   3HBB  HEC  70          HT23      HEC  70   2.189  -0.644   1.470
  543   1HMC  HEC  70          HM31      HEC  70  -4.412   3.523   0.176
  544   2HMC  HEC  70          HM32      HEC  70  -2.678   3.479  -0.204
  545   3HMC  HEC  70          HM33      HEC  70  -3.770   4.376  -1.239
  546    HAC  HEC  70          HT4A      HEC  70  -6.977   2.375  -3.073
  547   1HBC  HEC  70          HT41      HEC  70  -6.003   4.116  -4.169
  548   2HBC  HEC  70          HT42      HEC  70  -7.133   4.779  -2.985
  549   3HBC  HEC  70          HT43      HEC  70  -5.385   4.886  -2.674
  550   1HMD  HEC  70          HM51      HEC  70  -8.007  -1.099  -6.782
  551   2HMD  HEC  70          HM52      HEC  70  -7.558   0.385  -5.955
  552   3HMD  HEC  70          HM53      HEC  70  -6.817  -0.006  -7.516
  553   1HAD  HEC  70          HP61      HEC  70  -5.962  -4.301  -7.228
  554   2HAD  HEC  70          HP62      HEC  70  -7.145  -3.057  -7.533
  555   1HBD  HEC  70          HP63      HEC  70  -6.193  -3.236  -9.596
  556   2HBD  HEC  70          HP64      HEC  70  -5.293  -1.870  -8.935
  557    HHA  HEC  71           HCM      HEC  71   3.930  -4.772   9.216
  558    HHB  HEC  71           HDM      HEC  71   0.294  -9.732  10.998
  559    HHC  HEC  71           HAM      HEC  71  -2.864  -9.395   5.463
  560    HHD  HEC  71           HBM      HEC  71   0.382  -4.112   3.970
  561   1HMA  HEC  71          HM81      HEC  71   3.282  -9.199  12.470
  562   2HMA  HEC  71          HM82      HEC  71   2.466  -7.848  13.274
  563   3HMA  HEC  71          HM83      HEC  71   1.518  -9.209  12.697
  564   1HAA  HEC  71          HP71      HEC  71   4.632  -5.438  11.133
  565   2HAA  HEC  71          HP72      HEC  71   4.209  -6.467  12.501
  566   1HBA  HEC  71          HP73      HEC  71   5.459  -8.285  11.703
  567   2HBA  HEC  71          HP74      HEC  71   5.542  -7.624  10.073
  568   1HMB  HEC  71          HM11      HEC  71  -2.233 -12.267   9.863
  569   2HMB  HEC  71          HM12      HEC  71  -0.640 -11.822  10.461
  570   3HMB  HEC  71          HM13      HEC  71  -2.083 -10.999  11.103
  571    HAB  HEC  71          HT2A      HEC  71  -4.135 -10.375   6.949
  572   1HBB  HEC  71          HT21      HEC  71  -4.693  -9.619   9.206
  573   2HBB  HEC  71          HT22      HEC  71  -5.601 -11.050   8.682
  574   3HBB  HEC  71          HT23      HEC  71  -4.281 -11.223   9.841
  575   1HMC  HEC  71          HM31      HEC  71  -2.940  -9.029   3.201
  576   2HMC  HEC  71          HM32      HEC  71  -4.169  -7.863   3.745
  577   3HMC  HEC  71          HM33      HEC  71  -3.255  -7.588   2.251
  578    HAC  HEC  71          HT4A      HEC  71  -1.098  -4.349   2.542
  579   1HBC  HEC  71          HT41      HEC  71  -3.893  -5.477   2.269
  580   2HBC  HEC  71          HT42      HEC  71  -3.422  -4.053   3.211
  581   3HBC  HEC  71          HT43      HEC  71  -3.201  -4.078   1.446
  582   1HMD  HEC  71          HM51      HEC  71   3.483  -2.847   4.110
  583   2HMD  HEC  71          HM52      HEC  71   1.758  -2.432   3.999
  584   3HMD  HEC  71          HM53      HEC  71   2.808  -1.559   5.099
  585   1HAD  HEC  71          HP61      HEC  71   4.383  -1.962   6.621
  586   2HAD  HEC  71          HP62      HEC  71   3.935  -2.350   8.257
  587   1HBD  HEC  71          HP63      HEC  71   5.466  -4.517   7.617
  588   2HBD  HEC  71          HP64      HEC  71   6.243  -3.223   6.707
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1  11.786   3.117  -5.574
    2   2H    ALA   1          2H        ALA   1  12.279   4.665  -5.927
    3   3H    ALA   1          3H        ALA   1  10.699   4.261  -5.980
    4    HA   ALA   1           HA       ALA   1  11.617   4.415  -8.200
    5   1HB   ALA   1          1HB       ALA   1  13.878   3.548  -7.642
    6   2HB   ALA   1          2HB       ALA   1  13.180   1.952  -7.285
    7   3HB   ALA   1          3HB       ALA   1  13.130   2.596  -8.937
    8    H    ASP   2           H        ASP   2  10.837   2.746  -9.930
    9    HA   ASP   2           HA       ASP   2   8.391   1.727  -9.532
   10   1HB   ASP   2          1HB       ASP   2  10.548   0.410 -11.261
   11   2HB   ASP   2          2HB       ASP   2   8.809   0.408 -11.547
   12    H    VAL   3           H        VAL   3   7.693   0.334  -8.042
   13    HA   VAL   3           HA       VAL   3   7.342  -1.485  -6.836
   14    HB   VAL   3           HB       VAL   3   9.577  -2.990  -8.227
   15   1HG1  VAL   3          1HG1      VAL   3   8.186  -4.937  -7.643
   16   2HG1  VAL   3          2HG1      VAL   3   8.625  -4.028  -6.189
   17   3HG1  VAL   3          3HG1      VAL   3   6.992  -3.878  -6.873
   18   1HG2  VAL   3          1HG2      VAL   3   6.681  -2.648  -9.136
   19   2HG2  VAL   3          2HG2      VAL   3   8.131  -2.140 -10.022
   20   3HG2  VAL   3          3HG2      VAL   3   7.814  -3.854  -9.760
   21    H    VAL   4           H        VAL   4   7.761  -1.339  -4.719
   22    HA   VAL   4           HA       VAL   4  10.617  -1.306  -3.780
   23    HB   VAL   4           HB       VAL   4   8.253   0.289  -2.819
   24   1HG1  VAL   4          1HG1      VAL   4  11.004  -0.084  -1.522
   25   2HG1  VAL   4          2HG1      VAL   4   9.854   1.183  -1.060
   26   3HG1  VAL   4          3HG1      VAL   4   9.444  -0.507  -0.800
   27   1HG2  VAL   4          1HG2      VAL   4   9.755   2.217  -3.176
   28   2HG2  VAL   4          2HG2      VAL   4  10.973   1.114  -3.862
   29   3HG2  VAL   4          3HG2      VAL   4   9.396   1.329  -4.664
   30    H    THR   5           H        THR   5  10.837  -2.271  -1.638
   31    HA   THR   5           HA       THR   5   8.385  -3.347  -0.626
   32    HB   THR   5           HB       THR   5   9.445  -5.411  -1.355
   33    HG1  THR   5           HG1      THR   5   8.668  -5.131   0.820
   34   1HG2  THR   5          1HG2      THR   5  11.730  -4.744  -1.776
   35   2HG2  THR   5          2HG2      THR   5  12.007  -4.396  -0.061
   36   3HG2  THR   5          3HG2      THR   5  11.743  -6.066  -0.596
   37    H    TYR   6           H        TYR   6   8.092  -3.265   1.497
   38    HA   TYR   6           HA       TYR   6   9.563  -1.267   2.939
   39   1HB   TYR   6          1HB       TYR   6   7.473  -3.202   3.935
   40   2HB   TYR   6          2HB       TYR   6   8.074  -1.797   4.808
   41    HD1  TYR   6           HD1      TYR   6   5.300  -2.822   3.125
   42    HD2  TYR   6           HD2      TYR   6   8.061   0.478   3.176
   43    HE1  TYR   6           HE1      TYR   6   3.728  -1.484   1.759
   44    HE2  TYR   6           HE2      TYR   6   6.494   1.799   1.827
   45    HH   TYR   6           HH       TYR   6   4.327   1.947   1.065
   46    H    GLU   7           H        GLU   7  10.215  -4.640   2.563
   47    HA   GLU   7           HA       GLU   7  11.313  -6.199   3.744
   48   1HB   GLU   7          1HB       GLU   7  13.011  -3.853   4.392
   49   2HB   GLU   7          2HB       GLU   7  13.483  -5.566   4.502
   50   1HG   GLU   7          1HG       GLU   7  12.959  -5.746   2.002
   51   2HG   GLU   7          2HG       GLU   7  12.782  -3.973   2.004
   52    H    ASN   8           H        ASN   8  10.005  -6.944   5.255
   53    HA   ASN   8           HA       ASN   8  10.077  -6.093   8.081
   54   1HB   ASN   8          1HB       ASN   8   7.537  -6.252   8.022
   55   2HB   ASN   8          2HB       ASN   8   8.207  -4.880   7.127
   56   1HD2  ASN   8          1HD2      ASN   8   6.929  -8.197   6.682
   57   2HD2  ASN   8          2HD2      ASN   8   6.558  -7.987   4.965
   58    H    LYS   9           H        LYS   9   9.244  -7.962   9.445
   59    HA   LYS   9           HA       LYS   9  10.668 -10.218   8.323
   60   1HB   LYS   9          1HB       LYS   9  10.667 -11.175  10.446
   61   2HB   LYS   9          2HB       LYS   9  10.825  -9.436  10.663
   62   1HG   LYS   9          1HG       LYS   9   8.197  -9.525  11.013
   63   2HG   LYS   9          2HG       LYS   9   8.422 -11.262  11.143
   64   1HD   LYS   9          1HD       LYS   9   8.287 -10.169  13.323
   65   2HD   LYS   9          2HD       LYS   9   9.821 -11.020  13.102
   66   1HE   LYS   9          1HE       LYS   9  11.037  -9.120  13.393
   67   2HE   LYS   9          2HE       LYS   9  10.056  -8.209  12.235
   68   1HZ   LYS   9          1HZ       LYS   9   8.502  -7.685  13.782
   69   2HZ   LYS   9          2HZ       LYS   9   9.193  -8.594  14.994
   70   3HZ   LYS   9          3HZ       LYS   9   9.954  -7.258  14.382
   71    H    LYS  10           H        LYS  10   7.289  -9.503   8.663
   72    HA   LYS  10           HA       LYS  10   6.075 -12.055   8.460
   73   1HB   LYS  10          1HB       LYS  10   5.373  -9.502   6.971
   74   2HB   LYS  10          2HB       LYS  10   4.328 -10.919   7.063
   75   1HG   LYS  10          1HG       LYS  10   5.179  -9.176   9.401
   76   2HG   LYS  10          2HG       LYS  10   3.639  -9.113   8.571
   77   1HD   LYS  10          1HD       LYS  10   2.940 -10.497  10.204
   78   2HD   LYS  10          2HD       LYS  10   3.623 -11.746   9.164
   79   1HE   LYS  10          1HE       LYS  10   5.825 -11.452  10.537
   80   2HE   LYS  10          2HE       LYS  10   4.905 -10.408  11.611
   81   1HZ   LYS  10          1HZ       LYS  10   5.008 -12.658  12.408
   82   2HZ   LYS  10          2HZ       LYS  10   3.448 -12.283  12.054
   83   3HZ   LYS  10          3HZ       LYS  10   4.319 -13.240  11.036
   84    H    GLY  11           H        GLY  11   7.481 -10.073   5.872
   85   1HA   GLY  11          1HA       GLY  11   8.935 -11.903   4.612
   86   2HA   GLY  11          2HA       GLY  11   7.349 -12.312   3.933
   87    H    ASN  12           H        ASN  12   8.819  -9.151   4.745
   88    HA   ASN  12           HA       ASN  12   9.342  -7.264   3.452
   89   1HB   ASN  12          1HB       ASN  12  10.077  -9.422   1.528
   90   2HB   ASN  12          2HB       ASN  12  10.624  -7.758   1.436
   91   1HD2  ASN  12          1HD2      ASN  12  10.736  -8.807   4.838
   92   2HD2  ASN  12          2HD2      ASN  12  12.451  -9.092   4.746
   93    H    VAL  13           H        VAL  13   7.287  -6.523   3.221
   94    HA   VAL  13           HA       VAL  13   5.287  -7.427   1.331
   95    HB   VAL  13           HB       VAL  13   5.733  -4.875   2.895
   96   1HG1  VAL  13          1HG1      VAL  13   4.561  -4.069   0.935
   97   2HG1  VAL  13          2HG1      VAL  13   3.493  -5.500   0.914
   98   3HG1  VAL  13          3HG1      VAL  13   3.356  -4.282   2.186
   99   1HG2  VAL  13          1HG2      VAL  13   3.568  -7.001   3.097
  100   2HG2  VAL  13          2HG2      VAL  13   5.001  -6.857   4.142
  101   3HG2  VAL  13          3HG2      VAL  13   3.777  -5.584   4.154
  102    H    THR  14           H        THR  14   5.632  -7.355  -0.838
  103    HA   THR  14           HA       THR  14   7.209  -5.245  -2.110
  104    HB   THR  14           HB       THR  14   5.456  -7.441  -3.293
  105    HG1  THR  14           HG1      THR  14   7.494  -8.471  -3.533
  106   1HG2  THR  14          1HG2      THR  14   5.915  -5.671  -4.949
  107   2HG2  THR  14          2HG2      THR  14   7.643  -5.699  -4.524
  108   3HG2  THR  14          3HG2      THR  14   6.888  -7.097  -5.316
  109    H    PHE  15           H        PHE  15   6.311  -3.497  -3.233
  110    HA   PHE  15           HA       PHE  15   3.433  -3.523  -3.776
  111   1HB   PHE  15          1HB       PHE  15   2.960  -1.347  -2.863
  112   2HB   PHE  15          2HB       PHE  15   3.470  -2.459  -1.600
  113    HD1  PHE  15           HD1      PHE  15   4.120   0.722  -3.204
  114    HD2  PHE  15           HD2      PHE  15   5.843  -2.359  -0.716
  115    HE1  PHE  15           HE1      PHE  15   5.770   2.349  -2.323
  116    HE2  PHE  15           HE2      PHE  15   7.455  -0.729   0.178
  117    HZ   PHE  15           HZ       PHE  15   7.393   1.624  -0.571
  118    H    ASP  16           H        ASP  16   3.397  -3.299  -5.861
  119    HA   ASP  16           HA       ASP  16   5.303  -2.052  -7.451
  120   1HB   ASP  16          1HB       ASP  16   2.401  -2.687  -8.063
  121   2HB   ASP  16          2HB       ASP  16   3.735  -2.468  -9.228
  122    H    HIS  17           H        HIS  17   5.586  -0.095  -6.270
  123    HA   HIS  17           HA       HIS  17   4.016   2.059  -5.865
  124   1HB   HIS  17          1HB       HIS  17   6.471   1.871  -5.412
  125   2HB   HIS  17          2HB       HIS  17   6.817   2.119  -7.106
  126    HD1  HIS  17           HND      HIS  17   7.294   4.593  -7.721
  127    HD2  HIS  17           HD       HIS  17   4.840   4.093  -4.337
  128    HE1  HIS  17           HE       HIS  17   6.753   6.934  -6.822
  129    H    LYS  18           H        LYS  18   5.883   1.865  -8.906
  130    HA   LYS  18           HA       LYS  18   4.629   3.876 -10.336
  131   1HB   LYS  18          1HB       LYS  18   6.684   2.975 -11.097
  132   2HB   LYS  18          2HB       LYS  18   6.047   1.322 -11.195
  133   1HG   LYS  18          1HG       LYS  18   4.678   1.817 -13.052
  134   2HG   LYS  18          2HG       LYS  18   4.901   3.572 -12.872
  135   1HD   LYS  18          1HD       LYS  18   7.320   3.276 -13.384
  136   2HD   LYS  18          2HD       LYS  18   7.054   1.543 -13.620
  137   1HE   LYS  18          1HE       LYS  18   5.837   3.835 -15.252
  138   2HE   LYS  18          2HE       LYS  18   7.175   2.790 -15.762
  139   1HZ   LYS  18          1HZ       LYS  18   5.055   2.089 -16.698
  140   2HZ   LYS  18          2HZ       LYS  18   5.623   0.920 -15.680
  141   3HZ   LYS  18          3HZ       LYS  18   4.408   1.919 -15.222
  142    H    ALA  19           H        ALA  19   3.870   0.375 -10.461
  143    HA   ALA  19           HA       ALA  19   1.717   0.415 -12.214
  144   1HB   ALA  19          1HB       ALA  19   2.671  -1.632 -11.173
  145   2HB   ALA  19          2HB       ALA  19   1.869  -1.144  -9.648
  146   3HB   ALA  19          3HB       ALA  19   0.890  -1.568 -11.061
  147    H    HIS  20           H        HIS  20   1.491   0.751  -8.610
  148    HA   HIS  20           HA       HIS  20  -1.314   1.261  -8.479
  149   1HB   HIS  20          1HB       HIS  20   1.047   1.973  -6.695
  150   2HB   HIS  20          2HB       HIS  20  -0.557   2.592  -6.366
  151    HD1  HIS  20           HND      HIS  20   1.112  -0.860  -6.733
  152    HD2  HIS  20           HD       HIS  20  -2.097   1.113  -4.866
  153    HE1  HIS  20           HE       HIS  20  -0.049  -2.574  -5.213
  154    H    ALA  21           H        ALA  21   1.514   3.304  -9.068
  155    HA   ALA  21           HA       ALA  21   0.119   5.815  -8.909
  156   1HB   ALA  21          1HB       ALA  21   2.573   5.317 -10.624
  157   2HB   ALA  21          2HB       ALA  21   1.980   6.823  -9.935
  158   3HB   ALA  21          3HB       ALA  21   2.620   5.533  -8.869
  159    H    GLU  22           H        GLU  22   0.930   3.891 -11.809
  160    HA   GLU  22           HA       GLU  22  -0.365   5.818 -13.554
  161   1HB   GLU  22          1HB       GLU  22   0.188   4.371 -15.387
  162   2HB   GLU  22          2HB       GLU  22   1.565   4.508 -14.286
  163   1HG   GLU  22          1HG       GLU  22   0.834   2.272 -13.291
  164   2HG   GLU  22          2HG       GLU  22  -0.297   2.127 -14.653
  165    H    LYS  23           H        LYS  23  -1.259   2.595 -12.296
  166    HA   LYS  23           HA       LYS  23  -3.745   2.276 -13.553
  167   1HB   LYS  23          1HB       LYS  23  -2.723   1.496 -10.786
  168   2HB   LYS  23          2HB       LYS  23  -4.182   0.840 -11.501
  169   1HG   LYS  23          1HG       LYS  23  -1.529   0.670 -13.017
  170   2HG   LYS  23          2HG       LYS  23  -1.829  -0.426 -11.679
  171   1HD   LYS  23          1HD       LYS  23  -3.733  -0.020 -13.999
  172   2HD   LYS  23          2HD       LYS  23  -2.410  -1.216 -14.006
  173   1HE   LYS  23          1HE       LYS  23  -3.365  -2.044 -11.729
  174   2HE   LYS  23          2HE       LYS  23  -4.835  -1.142 -12.112
  175   1HZ   LYS  23          1HZ       LYS  23  -3.715  -3.334 -13.714
  176   2HZ   LYS  23          2HZ       LYS  23  -4.877  -3.447 -12.584
  177   3HZ   LYS  23          3HZ       LYS  23  -5.178  -2.574 -13.961
  178    H    LEU  24           H        LEU  24  -2.957   3.779 -10.399
  179    HA   LEU  24           HA       LEU  24  -5.806   4.413  -9.984
  180   1HB   LEU  24          1HB       LEU  24  -3.511   4.850  -8.073
  181   2HB   LEU  24          2HB       LEU  24  -5.233   4.741  -7.706
  182    HG   LEU  24           HG       LEU  24  -3.683   2.385  -8.888
  183   1HD1  LEU  24          1HD1      LEU  24  -2.657   3.074  -6.756
  184   2HD1  LEU  24          2HD1      LEU  24  -4.186   2.800  -5.942
  185   3HD1  LEU  24          3HD1      LEU  24  -3.391   1.455  -6.766
  186   1HD2  LEU  24          1HD2      LEU  24  -5.478   1.067  -8.009
  187   2HD2  LEU  24          2HD2      LEU  24  -6.320   2.513  -7.405
  188   3HD2  LEU  24          3HD2      LEU  24  -6.110   2.258  -9.154
  189    H    GLY  25           H        GLY  25  -2.629   6.213 -10.033
  190   1HA   GLY  25          1HA       GLY  25  -2.986   8.134 -11.605
  191   2HA   GLY  25          2HA       GLY  25  -4.068   8.796 -10.352
  192    H    CYS  26           H        CYS  26  -3.150   8.974  -8.200
  193    HA   CYS  26           HA       CYS  26  -0.453   8.750  -7.445
  194   1HB   CYS  26          1HB       CYS  26  -0.427  10.778  -9.333
  195   2HB   CYS  26          2HB       CYS  26  -0.899  11.692  -7.925
  196    H    ASP  27           H        ASP  27  -3.150  10.778  -7.469
  197    HA   ASP  27           HA       ASP  27  -3.640  11.968  -5.001
  198   1HB   ASP  27          1HB       ASP  27  -5.997  11.637  -5.740
  199   2HB   ASP  27          2HB       ASP  27  -4.980  12.275  -7.033
  200    H    ALA  28           H        ALA  28  -4.239   8.767  -6.196
  201    HA   ALA  28           HA       ALA  28  -5.419   7.177  -4.434
  202   1HB   ALA  28          1HB       ALA  28  -4.330   6.387  -6.423
  203   2HB   ALA  28          2HB       ALA  28  -2.727   6.793  -5.799
  204   3HB   ALA  28          3HB       ALA  28  -3.626   5.453  -5.079
  205    H    CYS  29           H        CYS  29  -2.078   8.291  -3.989
  206    HA   CYS  29           HA       CYS  29  -2.218   7.581  -1.069
  207   1HB   CYS  29          1HB       CYS  29   0.188   7.240  -2.831
  208   2HB   CYS  29          2HB       CYS  29  -0.009   6.739  -1.137
  209    H    HIS  30           H        HIS  30  -0.893   9.770  -3.584
  210    HA   HIS  30           HA       HIS  30   0.378  11.446  -1.451
  211   1HB   HIS  30          1HB       HIS  30   0.990  11.135  -4.401
  212   2HB   HIS  30          2HB       HIS  30   1.716  12.320  -3.337
  213    HD1  HIS  30           HND      HIS  30   3.564  11.369  -1.611
  214    HD2  HIS  30           HD       HIS  30   2.088   8.833  -4.553
  215    HE1  HIS  30           HE       HIS  30   5.383   9.531  -2.061
  216    H    GLU  31           H        GLU  31  -1.085  12.987  -0.988
  217    HA   GLU  31           HA       GLU  31  -2.949  14.061  -2.977
  218   1HB   GLU  31          1HB       GLU  31  -2.382  14.714  -0.039
  219   2HB   GLU  31          2HB       GLU  31  -3.603  15.559  -1.033
  220   1HG   GLU  31          1HG       GLU  31  -4.687  13.436  -1.477
  221   2HG   GLU  31          2HG       GLU  31  -3.533  12.596  -0.416
  222    H    GLY  32           H        GLY  32  -1.597  16.337  -0.850
  223   1HA   GLY  32          1HA       GLY  32  -1.040  18.226  -2.921
  224   2HA   GLY  32          2HA       GLY  32  -0.704  18.417  -1.197
  225    H    THR  33           H        THR  33   0.505  16.624  -4.014
  226    HA   THR  33           HA       THR  33   2.482  16.613  -5.053
  227    HB   THR  33           HB       THR  33   3.738  18.287  -2.846
  228    HG1  THR  33           HG1      THR  33   3.100  20.015  -4.058
  229   1HG2  THR  33          1HG2      THR  33   5.371  17.196  -4.354
  230   2HG2  THR  33          2HG2      THR  33   4.510  17.867  -5.760
  231   3HG2  THR  33          3HG2      THR  33   5.310  18.947  -4.604
  232    HA   PRO  34           HA       PRO  34   3.898  13.104  -2.641
  233   1HB   PRO  34          1HB       PRO  34   5.485  11.815  -4.415
  234   2HB   PRO  34          2HB       PRO  34   3.716  11.870  -4.637
  235   1HG   PRO  34          1HG       PRO  34   5.750  13.653  -5.914
  236   2HG   PRO  34          2HG       PRO  34   4.389  12.764  -6.676
  237   1HD   PRO  34          1HD       PRO  34   4.193  15.405  -5.996
  238   2HD   PRO  34          2HD       PRO  34   2.795  14.298  -5.832
  239    H    ALA  35           H        ALA  35   5.519  12.937  -1.182
  240    HA   ALA  35           HA       ALA  35   8.291  13.571  -1.840
  241   1HB   ALA  35          1HB       ALA  35   6.753  15.142   0.284
  242   2HB   ALA  35          2HB       ALA  35   8.516  15.169   0.051
  243   3HB   ALA  35          3HB       ALA  35   7.444  15.801  -1.214
  244    H    LYS  36           H        LYS  36   7.807  11.178  -1.585
  245    HA   LYS  36           HA       LYS  36   7.598   9.255  -0.643
  246   1HB   LYS  36          1HB       LYS  36   8.908   8.780   1.337
  247   2HB   LYS  36          2HB       LYS  36   9.798   9.621   0.082
  248   1HG   LYS  36          1HG       LYS  36   9.936  11.599   1.385
  249   2HG   LYS  36          2HG       LYS  36   8.686  11.057   2.531
  250   1HD   LYS  36          1HD       LYS  36  11.220   9.450   2.086
  251   2HD   LYS  36          2HD       LYS  36  11.197  10.817   3.221
  252   1HE   LYS  36          1HE       LYS  36   9.597   9.847   4.618
  253   2HE   LYS  36          2HE       LYS  36   9.017   8.702   3.432
  254   1HZ   LYS  36          1HZ       LYS  36  11.712   8.440   4.549
  255   2HZ   LYS  36          2HZ       LYS  36  10.375   7.599   5.048
  256   3HZ   LYS  36          3HZ       LYS  36  10.894   7.433   3.516
  257    H    ILE  37           H        ILE  37   6.669   7.831   0.997
  258    HA   ILE  37           HA       ILE  37   4.782   9.241   2.873
  259    HB   ILE  37           HB       ILE  37   4.118   6.545   1.690
  260   1HG1  ILE  37          1HG1      ILE  37   3.490   9.263   0.527
  261   2HG1  ILE  37          2HG1      ILE  37   4.335   7.888  -0.224
  262   1HG2  ILE  37          1HG2      ILE  37   2.394   8.761   2.885
  263   2HG2  ILE  37          2HG2      ILE  37   1.860   7.128   2.444
  264   3HG2  ILE  37          3HG2      ILE  37   2.975   7.349   3.788
  265   1HD1  ILE  37          1HD1      ILE  37   1.380   8.139   0.424
  266   2HD1  ILE  37          2HD1      ILE  37   2.150   7.924  -1.154
  267   3HD1  ILE  37          3HD1      ILE  37   2.152   6.588   0.018
  268    H    ALA  38           H        ALA  38   6.511   6.315   2.203
  269    HA   ALA  38           HA       ALA  38   8.090   5.229   3.385
  270   1HB   ALA  38          1HB       ALA  38   6.980   6.281   5.995
  271   2HB   ALA  38          2HB       ALA  38   8.563   5.548   5.663
  272   3HB   ALA  38          3HB       ALA  38   8.156   7.143   4.972
  273    H    ILE  39           H        ILE  39   4.887   5.426   4.841
  274    HA   ILE  39           HA       ILE  39   3.562   3.948   5.871
  275    HB   ILE  39           HB       ILE  39   4.120   2.512   3.288
  276   1HG1  ILE  39          1HG1      ILE  39   3.291   4.854   3.080
  277   2HG1  ILE  39          2HG1      ILE  39   2.210   3.638   2.449
  278   1HG2  ILE  39          1HG2      ILE  39   1.763   1.528   3.770
  279   2HG2  ILE  39          2HG2      ILE  39   3.113   0.852   4.664
  280   3HG2  ILE  39          3HG2      ILE  39   2.031   2.021   5.441
  281   1HD1  ILE  39          1HD1      ILE  39   1.858   5.151   5.055
  282   2HD1  ILE  39          2HD1      ILE  39   0.885   5.274   3.584
  283   3HD1  ILE  39          3HD1      ILE  39   0.824   3.793   4.540
  284    H    ASP  40           H        ASP  40   3.876   2.923   7.631
  285    HA   ASP  40           HA       ASP  40   5.796   0.648   7.811
  286   1HB   ASP  40          1HB       ASP  40   6.159   1.191  10.078
  287   2HB   ASP  40          2HB       ASP  40   6.321   2.717   9.243
  288    H    LYS  41           H        LYS  41   5.078  -0.673   9.645
  289    HA   LYS  41           HA       LYS  41   2.694  -1.989   9.453
  290   1HB   LYS  41          1HB       LYS  41   4.557  -2.664  10.854
  291   2HB   LYS  41          2HB       LYS  41   4.168  -1.448  12.070
  292   1HG   LYS  41          1HG       LYS  41   2.118  -3.525  11.205
  293   2HG   LYS  41          2HG       LYS  41   3.419  -3.957  12.321
  294   1HD   LYS  41          1HD       LYS  41   2.753  -2.271  13.923
  295   2HD   LYS  41          2HD       LYS  41   1.467  -1.681  12.860
  296   1HE   LYS  41          1HE       LYS  41   0.363  -3.901  12.911
  297   2HE   LYS  41          2HE       LYS  41   1.617  -4.498  14.015
  298   1HZ   LYS  41          1HZ       LYS  41  -0.245  -2.281  14.573
  299   2HZ   LYS  41          2HZ       LYS  41  -0.357  -3.805  15.181
  300   3HZ   LYS  41          3HZ       LYS  41   0.908  -2.844  15.606
  301    H    LYS  42           H        LYS  42   3.142   0.955  11.570
  302    HA   LYS  42           HA       LYS  42   0.515   0.961  12.539
  303   1HB   LYS  42          1HB       LYS  42   2.506   2.210  13.428
  304   2HB   LYS  42          2HB       LYS  42   2.355   3.324  12.047
  305   1HG   LYS  42          1HG       LYS  42   0.147   3.973  12.730
  306   2HG   LYS  42          2HG       LYS  42   0.142   2.728  13.997
  307   1HD   LYS  42          1HD       LYS  42   0.563   4.995  14.929
  308   2HD   LYS  42          2HD       LYS  42   1.897   3.864  15.234
  309   1HE   LYS  42          1HE       LYS  42   3.217   4.841  13.390
  310   2HE   LYS  42          2HE       LYS  42   1.864   5.891  12.937
  311   1HZ   LYS  42          1HZ       LYS  42   3.366   5.981  15.471
  312   2HZ   LYS  42          2HZ       LYS  42   3.530   7.022  14.213
  313   3HZ   LYS  42          3HZ       LYS  42   2.125   6.989  15.067
  314    H    SER  43           H        SER  43   1.886   3.037   9.814
  315    HA   SER  43           HA       SER  43  -0.659   4.100   9.138
  316   1HB   SER  43          1HB       SER  43   1.771   3.613   7.389
  317   2HB   SER  43          2HB       SER  43   0.373   4.610   6.940
  318    HG   SER  43           HG       SER  43   0.827   5.887   8.820
  319    H    ALA  44           H        ALA  44   1.075   1.379   7.653
  320    HA   ALA  44           HA       ALA  44  -0.594   0.357   5.742
  321   1HB   ALA  44          1HB       ALA  44   1.033  -1.126   7.832
  322   2HB   ALA  44          2HB       ALA  44   0.389  -1.796   6.328
  323   3HB   ALA  44          3HB       ALA  44   1.615  -0.478   6.297
  324    H    HIS  45           H        HIS  45  -0.606  -0.772   9.159
  325    HA   HIS  45           HA       HIS  45  -3.160  -2.100   8.724
  326   1HB   HIS  45          1HB       HIS  45  -1.145  -2.103  10.973
  327   2HB   HIS  45          2HB       HIS  45  -2.768  -2.725  11.190
  328    HD1  HIS  45           HND      HIS  45  -3.551  -4.811   9.842
  329    HD2  HIS  45           HD       HIS  45   0.457  -3.677   9.197
  330    HE1  HIS  45           HE       HIS  45  -2.455  -6.695   8.576
  331    H    LYS  46           H        LYS  46  -2.416   1.094   9.493
  332    HA   LYS  46           HA       LYS  46  -4.659   1.546  11.334
  333   1HB   LYS  46          1HB       LYS  46  -3.035   3.166  11.604
  334   2HB   LYS  46          2HB       LYS  46  -2.682   3.287   9.893
  335   1HG   LYS  46          1HG       LYS  46  -3.695   5.312  10.823
  336   2HG   LYS  46          2HG       LYS  46  -4.483   4.676   9.401
  337   1HD   LYS  46          1HD       LYS  46  -6.162   5.420  10.858
  338   2HD   LYS  46          2HD       LYS  46  -6.266   3.666  10.826
  339   1HE   LYS  46          1HE       LYS  46  -5.048   3.537  13.006
  340   2HE   LYS  46          2HE       LYS  46  -4.846   5.296  13.005
  341   1HZ   LYS  46          1HZ       LYS  46  -7.231   5.516  13.129
  342   2HZ   LYS  46          2HZ       LYS  46  -7.425   3.881  13.142
  343   3HZ   LYS  46          3HZ       LYS  46  -6.663   4.630  14.391
  344    H    ASP  47           H        ASP  47  -4.076   2.863   8.055
  345    HA   ASP  47           HA       ASP  47  -6.445   1.773   6.926
  346   1HB   ASP  47          1HB       ASP  47  -7.376   3.453   8.733
  347   2HB   ASP  47          2HB       ASP  47  -6.798   4.717   7.648
  348    H    ALA  48           H        ALA  48  -3.858   1.962   6.182
  349    HA   ALA  48           HA       ALA  48  -3.806   3.900   3.895
  350   1HB   ALA  48          1HB       ALA  48  -1.767   3.857   5.162
  351   2HB   ALA  48          2HB       ALA  48  -1.630   2.108   5.041
  352   3HB   ALA  48          3HB       ALA  48  -1.467   3.108   3.584
  353    H    CYS  49           H        CYS  49  -2.626   0.545   4.030
  354    HA   CYS  49           HA       CYS  49  -3.368   0.120   1.290
  355   1HB   CYS  49          1HB       CYS  49  -2.539  -1.979   3.264
  356   2HB   CYS  49          2HB       CYS  49  -2.274  -1.984   1.532
  357    H    LYS  50           H        LYS  50  -4.439  -1.346   4.319
  358    HA   LYS  50           HA       LYS  50  -6.630  -2.885   3.196
  359   1HB   LYS  50          1HB       LYS  50  -7.166  -3.217   5.665
  360   2HB   LYS  50          2HB       LYS  50  -5.584  -3.766   5.140
  361   1HG   LYS  50          1HG       LYS  50  -4.435  -2.226   6.315
  362   2HG   LYS  50          2HG       LYS  50  -5.599  -0.921   6.067
  363   1HD   LYS  50          1HD       LYS  50  -6.054  -3.220   8.012
  364   2HD   LYS  50          2HD       LYS  50  -5.302  -1.662   8.378
  365   1HE   LYS  50          1HE       LYS  50  -7.469  -0.592   7.342
  366   2HE   LYS  50          2HE       LYS  50  -8.186  -2.176   7.675
  367   1HZ   LYS  50          1HZ       LYS  50  -8.474  -0.669   9.500
  368   2HZ   LYS  50          2HZ       LYS  50  -7.389  -1.814  10.009
  369   3HZ   LYS  50          3HZ       LYS  50  -6.887  -0.311   9.560
  370    H    THR  51           H        THR  51  -6.951  -0.339   2.293
  371    HA   THR  51           HA       THR  51  -9.477   0.566   3.576
  372    HB   THR  51           HB       THR  51  -7.259   2.396   2.559
  373    HG1  THR  51           HG1      THR  51  -8.009   1.933   5.222
  374   1HG2  THR  51          1HG2      THR  51  -9.799   2.935   4.173
  375   2HG2  THR  51          2HG2      THR  51  -8.531   4.112   3.798
  376   3HG2  THR  51          3HG2      THR  51  -9.514   3.427   2.488
  377    H    CYS  52           H        CYS  52  -7.471   1.487   0.762
  378    HA   CYS  52           HA       CYS  52  -9.404   1.481  -1.249
  379   1HB   CYS  52          1HB       CYS  52  -6.462   0.781  -1.043
  380   2HB   CYS  52          2HB       CYS  52  -7.331   0.528  -2.549
  381    H    HIS  53           H        HIS  53  -7.297  -1.224  -0.132
  382    HA   HIS  53           HA       HIS  53  -8.316  -3.032  -2.030
  383   1HB   HIS  53          1HB       HIS  53  -7.052  -3.630   0.643
  384   2HB   HIS  53          2HB       HIS  53  -7.312  -4.775  -0.677
  385    HD1  HIS  53           HND      HIS  53  -4.569  -4.868   0.085
  386    HD2  HIS  53           HD       HIS  53  -5.896  -1.881  -2.592
  387    HE1  HIS  53           HE       HIS  53  -2.564  -4.016  -1.174
  388    H    LYS  54           H        LYS  54  -9.838  -1.924   0.983
  389    HA   LYS  54           HA       LYS  54 -11.596  -4.195   1.335
  390   1HB   LYS  54          1HB       LYS  54 -12.148  -1.291   2.036
  391   2HB   LYS  54          2HB       LYS  54 -12.949  -2.735   2.649
  392   1HG   LYS  54          1HG       LYS  54 -10.720  -3.488   3.589
  393   2HG   LYS  54          2HG       LYS  54 -10.067  -1.895   3.183
  394   1HD   LYS  54          1HD       LYS  54 -12.517  -2.375   4.917
  395   2HD   LYS  54          2HD       LYS  54 -10.869  -2.204   5.548
  396   1HE   LYS  54          1HE       LYS  54 -10.760   0.052   5.229
  397   2HE   LYS  54          2HE       LYS  54 -11.793   0.044   3.785
  398   1HZ   LYS  54          1HZ       LYS  54 -12.803   1.128   5.628
  399   2HZ   LYS  54          2HZ       LYS  54 -13.683  -0.197   5.207
  400   3HZ   LYS  54          3HZ       LYS  54 -12.729  -0.225   6.556
  401    H    SER  55           H        SER  55 -11.671  -1.130  -0.497
  402    HA   SER  55           HA       SER  55 -14.409  -1.321  -1.369
  403   1HB   SER  55          1HB       SER  55 -12.968   0.772  -1.334
  404   2HB   SER  55          2HB       SER  55 -12.106   0.133  -2.750
  405    HG   SER  55           HG       SER  55 -13.834   1.498  -3.357
  406    H    ASN  56           H        ASN  56 -11.257  -2.184  -2.768
  407    HA   ASN  56           HA       ASN  56 -12.240  -3.377  -5.186
  408   1HB   ASN  56          1HB       ASN  56  -9.691  -3.891  -3.601
  409   2HB   ASN  56          2HB       ASN  56 -10.054  -4.602  -5.172
  410   1HD2  ASN  56          1HD2      ASN  56  -9.425  -1.408  -3.540
  411   2HD2  ASN  56          2HD2      ASN  56  -9.041  -0.630  -5.061
  412    H    ASN  57           H        ASN  57 -11.630  -4.729  -1.951
  413    HA   ASN  57           HA       ASN  57 -12.566  -6.371  -0.813
  414   1HB   ASN  57          1HB       ASN  57 -14.717  -5.549  -1.753
  415   2HB   ASN  57          2HB       ASN  57 -14.583  -6.719  -3.071
  416   1HD2  ASN  57          1HD2      ASN  57 -14.422  -6.573   0.540
  417   2HD2  ASN  57          2HD2      ASN  57 -15.237  -8.116   0.772
  418    H    GLY  58           H        GLY  58 -10.686  -7.605  -0.926
  419   1HA   GLY  58          1HA       GLY  58 -10.946 -10.118  -2.521
  420   2HA   GLY  58          2HA       GLY  58  -9.446  -9.202  -2.579
  421    HA   PRO  59           HA       PRO  59  -8.153 -11.561   0.818
  422   1HB   PRO  59          1HB       PRO  59  -6.432  -9.958   2.272
  423   2HB   PRO  59          2HB       PRO  59  -6.081 -10.508   0.608
  424   1HG   PRO  59          1HG       PRO  59  -7.323  -7.868   1.441
  425   2HG   PRO  59          2HG       PRO  59  -5.925  -8.119   0.349
  426   1HD   PRO  59          1HD       PRO  59  -8.421  -7.753  -0.643
  427   2HD   PRO  59          2HD       PRO  59  -7.331  -8.964  -1.381
  428    H    THR  60           H        THR  60  -8.155 -11.982   3.049
  429    HA   THR  60           HA       THR  60 -10.789 -10.992   4.021
  430    HB   THR  60           HB       THR  60 -10.231 -13.185   2.508
  431    HG1  THR  60           HG1      THR  60 -12.177 -12.376   2.838
  432   1HG2  THR  60          1HG2      THR  60  -8.975 -14.387   4.250
  433   2HG2  THR  60          2HG2      THR  60 -10.394 -14.299   5.333
  434   3HG2  THR  60          3HG2      THR  60 -10.485 -15.198   3.811
  435    H    LYS  61           H        LYS  61  -7.714 -12.418   5.057
  436    HA   LYS  61           HA       LYS  61  -8.220 -11.244   7.704
  437   1HB   LYS  61          1HB       LYS  61  -7.293 -13.149   8.930
  438   2HB   LYS  61          2HB       LYS  61  -8.848 -13.473   8.169
  439   1HG   LYS  61          1HG       LYS  61  -7.495 -14.640   6.279
  440   2HG   LYS  61          2HG       LYS  61  -6.137 -14.610   7.441
  441   1HD   LYS  61          1HD       LYS  61  -7.506 -15.791   9.098
  442   2HD   LYS  61          2HD       LYS  61  -8.860 -15.848   7.946
  443   1HE   LYS  61          1HE       LYS  61  -7.431 -17.129   6.338
  444   2HE   LYS  61          2HE       LYS  61  -6.092 -17.088   7.496
  445   1HZ   LYS  61          1HZ       LYS  61  -7.445 -18.369   9.012
  446   2HZ   LYS  61          2HZ       LYS  61  -8.693 -18.402   7.936
  447   3HZ   LYS  61          3HZ       LYS  61  -7.278 -19.153   7.579
  448    H    CYS  62           H        CYS  62  -5.731 -13.236   6.147
  449    HA   CYS  62           HA       CYS  62  -4.050 -10.891   5.730
  450   1HB   CYS  62          1HB       CYS  62  -2.851 -13.601   6.316
  451   2HB   CYS  62          2HB       CYS  62  -2.045 -12.025   6.300
  452    H    GLY  63           H        GLY  63  -2.193 -12.379   4.158
  453   1HA   GLY  63          1HA       GLY  63  -1.959 -13.533   2.167
  454   2HA   GLY  63          2HA       GLY  63  -3.625 -14.114   2.311
  455    H    GLY  64           H        GLY  64  -2.080 -10.937   2.104
  456   1HA   GLY  64          1HA       GLY  64  -3.481 -10.273  -0.453
  457   2HA   GLY  64          2HA       GLY  64  -3.570  -9.167   0.933
  458    H    CYS  65           H        CYS  65  -1.219  -9.063   2.024
  459    HA   CYS  65           HA       CYS  65   0.468  -7.837  -0.087
  460   1HB   CYS  65          1HB       CYS  65   0.192  -7.127   2.806
  461   2HB   CYS  65          2HB       CYS  65   0.814  -6.100   1.506
  462    H    HIS  66           H        HIS  66   0.668  -9.596   3.040
  463    HA   HIS  66           HA       HIS  66   3.564  -9.831   2.920
  464   1HB   HIS  66          1HB       HIS  66   1.501 -11.299   4.608
  465   2HB   HIS  66          2HB       HIS  66   3.239 -11.395   4.808
  466    HD1  HIS  66           HND      HIS  66   4.343  -8.666   5.048
  467    HD2  HIS  66           HD       HIS  66   0.384  -9.466   6.168
  468    HE1  HIS  66           HE       HIS  66   3.611  -6.794   6.608
  469    H    ILE  67           H        ILE  67   4.434 -11.024   1.286
  470    HA   ILE  67           HA       ILE  67   3.191 -13.476   0.298
  471    HB   ILE  67           HB       ILE  67   5.978 -12.352  -0.173
  472   1HG1  ILE  67          1HG1      ILE  67   4.430 -10.628  -0.839
  473   2HG1  ILE  67          2HG1      ILE  67   5.095 -11.408  -2.265
  474   1HG2  ILE  67          1HG2      ILE  67   4.302 -14.396  -1.707
  475   2HG2  ILE  67          2HG2      ILE  67   5.809 -13.673  -2.304
  476   3HG2  ILE  67          3HG2      ILE  67   5.828 -14.690  -0.866
  477   1HD1  ILE  67          1HD1      ILE  67   2.723 -10.971  -2.567
  478   2HD1  ILE  67          2HD1      ILE  67   2.975 -12.722  -2.519
  479   3HD1  ILE  67          3HD1      ILE  67   2.309 -11.871  -1.104
  480    H    LYS  68           H        LYS  68   2.972 -14.426   2.560
  481    HA   LYS  68           HA       LYS  68   5.090 -16.371   2.745
  482   1HB   LYS  68          1HB       LYS  68   5.871 -14.462   4.215
  483   2HB   LYS  68          2HB       LYS  68   4.475 -14.734   5.263
  484   1HG   LYS  68          1HG       LYS  68   6.433 -16.948   4.526
  485   2HG   LYS  68          2HG       LYS  68   6.824 -15.784   5.785
  486   1HD   LYS  68          1HD       LYS  68   5.502 -16.692   7.324
  487   2HD   LYS  68          2HD       LYS  68   4.141 -16.929   6.236
  488   1HE   LYS  68          1HE       LYS  68   6.612 -18.715   6.090
  489   2HE   LYS  68          2HE       LYS  68   5.329 -19.038   7.261
  490   1HZ   LYS  68          1HZ       LYS  68   3.789 -19.387   5.573
  491   2HZ   LYS  68          2HZ       LYS  68   4.629 -18.694   4.435
  492   3HZ   LYS  68          3HZ       LYS  68   5.127 -20.175   5.006
  493    HHA  HEC  69           HCM      HEC  69   8.709   6.932  -2.057
  494    HHB  HEC  69           HDM      HEC  69   6.670  10.755  -6.685
  495    HHC  HEC  69           HAM      HEC  69   1.467   7.021  -7.154
  496    HHD  HEC  69           HBM      HEC  69   2.838   4.610  -1.362
  497   1HMA  HEC  69          HM81      HEC  69   9.961  11.188  -4.898
  498   2HMA  HEC  69          HM82      HEC  69   9.478  10.557  -6.486
  499   3HMA  HEC  69          HM83      HEC  69   8.474  11.766  -5.643
  500   1HAA  HEC  69          HP71      HEC  69  10.919   9.383  -4.012
  501   2HAA  HEC  69          HP72      HEC  69  10.480   8.347  -2.661
  502   1HBA  HEC  69          HP73      HEC  69  10.243   6.430  -4.142
  503   2HBA  HEC  69          HP74      HEC  69  10.392   7.460  -5.569
  504   1HMB  HEC  69          HM11      HEC  69   4.860  10.385  -9.743
  505   2HMB  HEC  69          HM12      HEC  69   4.084  11.641  -8.744
  506   3HMB  HEC  69          HM13      HEC  69   5.790  11.246  -8.534
  507    HAB  HEC  69          HT2A      HEC  69   1.310   8.566  -8.632
  508   1HBB  HEC  69          HT21      HEC  69   1.281   9.733 -10.638
  509   2HBB  HEC  69          HT22      HEC  69   2.620  10.775 -10.207
  510   3HBB  HEC  69          HT23      HEC  69   2.905   9.051 -10.569
  511   1HMC  HEC  69          HM31      HEC  69  -0.851   4.760  -5.259
  512   2HMC  HEC  69          HM32      HEC  69  -0.518   6.337  -5.977
  513   3HMC  HEC  69          HM33      HEC  69   0.168   4.867  -6.699
  514    HAC  HEC  69          HT4A      HEC  69   0.806   4.266  -1.751
  515   1HBC  HEC  69          HT41      HEC  69   1.053   2.331  -3.342
  516   2HBC  HEC  69          HT42      HEC  69  -0.472   2.380  -2.436
  517   3HBC  HEC  69          HT43      HEC  69  -0.442   2.875  -4.126
  518   1HMD  HEC  69          HM51      HEC  69   5.587   4.365   1.263
  519   2HMD  HEC  69          HM52      HEC  69   3.945   4.374   0.601
  520   3HMD  HEC  69          HM53      HEC  69   5.163   3.248  -0.050
  521   1HAD  HEC  69          HP61      HEC  69   7.760   4.509   0.526
  522   2HAD  HEC  69          HP62      HEC  69   8.667   4.869  -0.910
  523   1HBD  HEC  69          HP63      HEC  69   9.044   7.173  -0.070
  524   2HBD  HEC  69          HP64      HEC  69   8.103   6.763   1.353
  525    HHA  HEC  70           HCM      HEC  70  -3.319  -5.218  -6.322
  526    HHB  HEC  70           HDM      HEC  70   0.668  -4.167  -1.387
  527    HHC  HEC  70           HAM      HEC  70  -2.209   1.438  -0.371
  528    HHD  HEC  70           HBM      HEC  70  -6.054   0.451  -5.321
  529   1HMA  HEC  70          HM81      HEC  70   1.569  -6.198  -3.410
  530   2HMA  HEC  70          HM82      HEC  70   0.620  -6.403  -1.921
  531   3HMA  HEC  70          HM83      HEC  70   0.322  -7.467  -3.291
  532   1HAA  HEC  70          HP71      HEC  70  -1.545  -6.639  -6.502
  533   2HAA  HEC  70          HP72      HEC  70  -0.346  -7.396  -5.478
  534   1HBA  HEC  70          HP73      HEC  70  -2.164  -8.211  -3.970
  535   2HBA  HEC  70          HP74      HEC  70  -3.354  -7.507  -5.073
  536   1HMB  HEC  70          HM11      HEC  70   1.425  -1.864   1.476
  537   2HMB  HEC  70          HM12      HEC  70   0.633  -3.403   1.104
  538   3HMB  HEC  70          HM13      HEC  70   1.980  -2.821   0.098
  539    HAB  HEC  70          HT2A      HEC  70  -1.083   1.073   1.246
  540   1HBB  HEC  70          HT21      HEC  70   1.756   0.330   1.698
  541   2HBB  HEC  70          HT22      HEC  70   1.307   1.232   0.237
  542   3HBB  HEC  70          HT23      HEC  70   0.913   1.892   1.823
  543   1HMC  HEC  70          HM31      HEC  70  -4.592   4.033  -1.764
  544   2HMC  HEC  70          HM32      HEC  70  -4.469   2.970  -0.348
  545   3HMC  HEC  70          HM33      HEC  70  -3.004   3.521  -1.197
  546    HAC  HEC  70          HT4A      HEC  70  -6.929   1.958  -4.165
  547   1HBC  HEC  70          HT41      HEC  70  -5.183   4.366  -4.012
  548   2HBC  HEC  70          HT42      HEC  70  -6.037   3.604  -5.400
  549   3HBC  HEC  70          HT43      HEC  70  -6.946   4.491  -4.185
  550   1HMD  HEC  70          HM51      HEC  70  -6.258  -1.128  -8.366
  551   2HMD  HEC  70          HM52      HEC  70  -7.507  -1.961  -7.443
  552   3HMD  HEC  70          HM53      HEC  70  -7.012  -0.324  -6.984
  553   1HAD  HEC  70          HP61      HEC  70  -5.592  -5.137  -7.153
  554   2HAD  HEC  70          HP62      HEC  70  -6.440  -3.937  -8.114
  555   1HBD  HEC  70          HP63      HEC  70  -3.491  -4.159  -8.598
  556   2HBD  HEC  70          HP64      HEC  70  -4.489  -5.540  -9.059
  557    HHA  HEC  71           HCM      HEC  71   4.267  -4.369   8.947
  558    HHB  HEC  71           HDM      HEC  71   0.919  -9.204  11.449
  559    HHC  HEC  71           HAM      HEC  71  -2.926  -9.180   6.345
  560    HHD  HEC  71           HBM      HEC  71   0.271  -4.218   3.984
  561   1HMA  HEC  71          HM81      HEC  71   3.062  -9.083  12.474
  562   2HMA  HEC  71          HM82      HEC  71   4.009  -7.699  13.032
  563   3HMA  HEC  71          HM83      HEC  71   2.253  -7.718  13.272
  564   1HAA  HEC  71          HP71      HEC  71   5.402  -5.113  10.691
  565   2HAA  HEC  71          HP72      HEC  71   5.039  -5.851  12.237
  566   1HBA  HEC  71          HP73      HEC  71   5.579  -8.085  11.214
  567   2HBA  HEC  71          HP74      HEC  71   6.112  -7.226   9.753
  568   1HMB  HEC  71          HM11      HEC  71   0.021 -11.373  11.101
  569   2HMB  HEC  71          HM12      HEC  71  -1.399 -10.593  11.845
  570   3HMB  HEC  71          HM13      HEC  71  -1.598 -11.918  10.673
  571    HAB  HEC  71          HT2A      HEC  71  -3.853 -10.268   7.907
  572   1HBB  HEC  71          HT21      HEC  71  -4.238  -9.419  10.149
  573   2HBB  HEC  71          HT22      HEC  71  -5.134 -10.897   9.773
  574   3HBB  HEC  71          HT23      HEC  71  -3.714 -10.978  10.826
  575   1HMC  HEC  71          HM31      HEC  71  -3.281  -9.037   4.105
  576   2HMC  HEC  71          HM32      HEC  71  -4.388  -7.711   4.519
  577   3HMC  HEC  71          HM33      HEC  71  -3.521  -7.723   2.963
  578    HAC  HEC  71          HT4A      HEC  71  -1.435  -4.396   2.863
  579   1HBC  HEC  71          HT41      HEC  71  -4.181  -5.629   2.736
  580   2HBC  HEC  71          HT42      HEC  71  -3.709  -4.274   3.775
  581   3HBC  HEC  71          HT43      HEC  71  -3.587  -4.121   2.018
  582   1HMD  HEC  71          HM51      HEC  71   2.130  -3.127   3.435
  583   2HMD  HEC  71          HM52      HEC  71   1.544  -1.804   4.418
  584   3HMD  HEC  71          HM53      HEC  71   3.278  -2.067   4.237
  585   1HAD  HEC  71          HP61      HEC  71   4.367  -1.772   6.029
  586   2HAD  HEC  71          HP62      HEC  71   4.077  -2.011   7.714
  587   1HBD  HEC  71          HP63      HEC  71   5.685  -4.196   6.742
  588   2HBD  HEC  71          HP64      HEC  71   6.387  -2.657   6.235
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1   6.236   5.011  -7.742
    2   2H    ALA   1          2H        ALA   1   6.327   6.622  -7.886
    3   3H    ALA   1          3H        ALA   1   5.514   5.735  -9.015
    4    HA   ALA   1           HA       ALA   1   7.563   6.298 -10.002
    5   1HB   ALA   1          1HB       ALA   1   8.865   5.071  -7.531
    6   2HB   ALA   1          2HB       ALA   1   9.698   5.608  -8.999
    7   3HB   ALA   1          3HB       ALA   1   8.839   6.782  -7.989
    8    H    ASP   2           H        ASP   2   8.240   3.281  -8.227
    9    HA   ASP   2           HA       ASP   2   7.253   1.358 -10.100
   10   1HB   ASP   2          1HB       ASP   2   9.497   0.552 -10.643
   11   2HB   ASP   2          2HB       ASP   2   9.383   2.233 -11.180
   12    H    VAL   3           H        VAL   3   7.811  -0.784  -9.270
   13    HA   VAL   3           HA       VAL   3   6.631  -0.934  -6.790
   14    HB   VAL   3           HB       VAL   3   6.422  -2.695  -8.362
   15   1HG1  VAL   3          1HG1      VAL   3   8.197  -4.292  -8.918
   16   2HG1  VAL   3          2HG1      VAL   3   8.635  -2.671  -9.460
   17   3HG1  VAL   3          3HG1      VAL   3   9.377  -3.346  -7.995
   18   1HG2  VAL   3          1HG2      VAL   3   6.257  -3.315  -5.927
   19   2HG2  VAL   3          2HG2      VAL   3   6.691  -4.657  -6.992
   20   3HG2  VAL   3          3HG2      VAL   3   7.933  -3.878  -5.995
   21    H    VAL   4           H        VAL   4   7.211  -1.184  -4.676
   22    HA   VAL   4           HA       VAL   4  10.117  -1.180  -3.959
   23    HB   VAL   4           HB       VAL   4   7.867   0.573  -2.949
   24   1HG1  VAL   4          1HG1      VAL   4   9.018  -0.249  -0.925
   25   2HG1  VAL   4          2HG1      VAL   4  10.596   0.111  -1.651
   26   3HG1  VAL   4          3HG1      VAL   4   9.477   1.421  -1.231
   27   1HG2  VAL   4          1HG2      VAL   4  10.672   1.204  -3.947
   28   2HG2  VAL   4          2HG2      VAL   4   9.173   1.431  -4.864
   29   3HG2  VAL   4          3HG2      VAL   4   9.462   2.388  -3.405
   30    H    THR   5           H        THR   5  10.424  -2.058  -1.760
   31    HA   THR   5           HA       THR   5   7.980  -2.922  -0.559
   32    HB   THR   5           HB       THR   5   8.863  -5.086  -1.437
   33    HG1  THR   5           HG1      THR   5   7.842  -4.787   0.591
   34   1HG2  THR   5          1HG2      THR   5  11.299  -4.560  -1.473
   35   2HG2  THR   5          2HG2      THR   5  11.324  -4.576   0.304
   36   3HG2  THR   5          3HG2      THR   5  10.949  -6.056  -0.592
   37    H    TYR   6           H        TYR   6   7.934  -2.875   1.573
   38    HA   TYR   6           HA       TYR   6   9.783  -1.156   2.994
   39   1HB   TYR   6          1HB       TYR   6   7.540  -2.959   3.953
   40   2HB   TYR   6          2HB       TYR   6   8.325  -1.730   4.918
   41    HD1  TYR   6           HD1      TYR   6   5.322  -2.290   3.556
   42    HD2  TYR   6           HD2      TYR   6   8.439   0.660   3.198
   43    HE1  TYR   6           HE1      TYR   6   3.741  -0.749   2.443
   44    HE2  TYR   6           HE2      TYR   6   6.884   2.134   1.994
   45    HH   TYR   6           HH       TYR   6   4.311   1.120   0.556
   46    H    GLU   7           H        GLU   7   9.470  -4.582   2.331
   47    HA   GLU   7           HA       GLU   7  10.371  -6.444   3.134
   48   1HB   GLU   7          1HB       GLU   7  12.567  -5.128   2.997
   49   2HB   GLU   7          2HB       GLU   7  12.433  -5.000   4.763
   50   1HG   GLU   7          1HG       GLU   7  12.239  -7.605   4.723
   51   2HG   GLU   7          2HG       GLU   7  12.768  -7.469   3.031
   52    H    ASN   8           H        ASN   8  10.365  -7.759   5.155
   53    HA   ASN   8           HA       ASN   8   9.692  -6.609   7.725
   54   1HB   ASN   8          1HB       ASN   8   7.640  -8.334   6.279
   55   2HB   ASN   8          2HB       ASN   8   7.567  -7.886   7.971
   56   1HD2  ASN   8          1HD2      ASN   8   6.594  -7.014   4.840
   57   2HD2  ASN   8          2HD2      ASN   8   6.042  -5.376   5.248
   58    H    LYS   9           H        LYS   9   9.519  -8.334   9.306
   59    HA   LYS   9           HA       LYS   9  11.094 -10.740   8.595
   60   1HB   LYS   9          1HB       LYS   9   9.854  -9.594  11.112
   61   2HB   LYS   9          2HB       LYS   9  10.330 -11.283  11.047
   62   1HG   LYS   9          1HG       LYS   9  12.196  -8.950  10.442
   63   2HG   LYS   9          2HG       LYS   9  12.076  -9.774  11.995
   64   1HD   LYS   9          1HD       LYS   9  13.587 -11.284  11.321
   65   2HD   LYS   9          2HD       LYS   9  12.425 -11.884  10.140
   66   1HE   LYS   9          1HE       LYS   9  13.290 -10.046   8.535
   67   2HE   LYS   9          2HE       LYS   9  14.547  -9.715   9.733
   68   1HZ   LYS   9          1HZ       LYS   9  15.310 -11.175   8.028
   69   2HZ   LYS   9          2HZ       LYS   9  15.295 -11.995   9.456
   70   3HZ   LYS   9          3HZ       LYS   9  14.123 -12.268   8.328
   71    H    LYS  10           H        LYS  10   7.748  -9.748   8.734
   72    HA   LYS  10           HA       LYS  10   6.687 -12.446   8.884
   73   1HB   LYS  10          1HB       LYS  10   5.101 -10.213   7.613
   74   2HB   LYS  10          2HB       LYS  10   4.558 -11.559   8.591
   75   1HG   LYS  10          1HG       LYS  10   5.976  -9.024   9.397
   76   2HG   LYS  10          2HG       LYS  10   4.328  -9.434   9.767
   77   1HD   LYS  10          1HD       LYS  10   6.856 -10.775  10.911
   78   2HD   LYS  10          2HD       LYS  10   5.794  -9.673  11.758
   79   1HE   LYS  10          1HE       LYS  10   3.917 -11.315  11.546
   80   2HE   LYS  10          2HE       LYS  10   5.012 -12.445  10.732
   81   1HZ   LYS  10          1HZ       LYS  10   6.366 -12.485  12.702
   82   2HZ   LYS  10          2HZ       LYS  10   5.362 -11.440  13.477
   83   3HZ   LYS  10          3HZ       LYS  10   4.827 -12.938  13.057
   84    H    GLY  11           H        GLY  11   6.653 -10.081   6.212
   85   1HA   GLY  11          1HA       GLY  11   7.819 -11.766   4.241
   86   2HA   GLY  11          2HA       GLY  11   6.054 -11.716   4.042
   87    H    ASN  12           H        ASN  12   8.356 -10.471   2.488
   88    HA   ASN  12           HA       ASN  12   8.576  -7.660   2.974
   89   1HB   ASN  12          1HB       ASN  12   8.968  -9.262   0.437
   90   2HB   ASN  12          2HB       ASN  12   9.451  -7.590   0.652
   91   1HD2  ASN  12          1HD2      ASN  12  10.020  -9.300   3.613
   92   2HD2  ASN  12          2HD2      ASN  12  11.736  -9.490   3.332
   93    H    VAL  13           H        VAL  13   7.035  -6.171   2.685
   94    HA   VAL  13           HA       VAL  13   4.481  -6.777   1.380
   95    HB   VAL  13           HB       VAL  13   5.689  -4.381   2.758
   96   1HG1  VAL  13          1HG1      VAL  13   3.597  -3.172   2.450
   97   2HG1  VAL  13          2HG1      VAL  13   4.275  -3.444   0.888
   98   3HG1  VAL  13          3HG1      VAL  13   2.938  -4.471   1.421
   99   1HG2  VAL  13          1HG2      VAL  13   3.068  -5.814   3.353
  100   2HG2  VAL  13          2HG2      VAL  13   4.591  -6.495   3.897
  101   3HG2  VAL  13          3HG2      VAL  13   4.116  -4.875   4.441
  102    H    THR  14           H        THR  14   4.905  -7.215  -0.755
  103    HA   THR  14           HA       THR  14   6.633  -5.403  -2.314
  104    HB   THR  14           HB       THR  14   5.045  -7.843  -3.187
  105    HG1  THR  14           HG1      THR  14   6.617  -8.166  -1.428
  106   1HG2  THR  14          1HG2      THR  14   5.857  -6.442  -5.070
  107   2HG2  THR  14          2HG2      THR  14   7.491  -6.438  -4.367
  108   3HG2  THR  14          3HG2      THR  14   6.778  -7.952  -4.960
  109    H    PHE  15           H        PHE  15   5.213  -3.561  -1.744
  110    HA   PHE  15           HA       PHE  15   2.552  -3.478  -2.988
  111   1HB   PHE  15          1HB       PHE  15   2.312  -1.296  -2.180
  112   2HB   PHE  15          2HB       PHE  15   2.995  -2.257  -0.883
  113    HD1  PHE  15           HD1      PHE  15   3.384   0.679  -2.973
  114    HD2  PHE  15           HD2      PHE  15   5.483  -2.006  -0.320
  115    HE1  PHE  15           HE1      PHE  15   5.020   2.466  -2.437
  116    HE2  PHE  15           HE2      PHE  15   7.099  -0.235   0.195
  117    HZ   PHE  15           HZ       PHE  15   6.846   2.014  -0.796
  118    H    ASP  16           H        ASP  16   2.394  -3.344  -5.175
  119    HA   ASP  16           HA       ASP  16   4.486  -2.113  -6.765
  120   1HB   ASP  16          1HB       ASP  16   2.745  -3.801  -7.597
  121   2HB   ASP  16          2HB       ASP  16   1.656  -2.422  -7.749
  122    H    HIS  17           H        HIS  17   3.935  -0.193  -8.049
  123    HA   HIS  17           HA       HIS  17   3.117   2.030  -6.218
  124   1HB   HIS  17          1HB       HIS  17   5.531   1.180  -5.899
  125   2HB   HIS  17          2HB       HIS  17   5.807   1.606  -7.573
  126    HD1  HIS  17           HND      HIS  17   7.709   3.001  -5.874
  127    HD2  HIS  17           HD       HIS  17   3.741   4.303  -6.263
  128    HE1  HIS  17           HE       HIS  17   7.623   5.432  -4.975
  129    H    LYS  18           H        LYS  18   4.767   1.167  -9.252
  130    HA   LYS  18           HA       LYS  18   3.879   3.334 -10.886
  131   1HB   LYS  18          1HB       LYS  18   5.825   2.122 -11.428
  132   2HB   LYS  18          2HB       LYS  18   5.018   0.543 -11.389
  133   1HG   LYS  18          1HG       LYS  18   3.835   1.002 -13.387
  134   2HG   LYS  18          2HG       LYS  18   4.189   2.740 -13.295
  135   1HD   LYS  18          1HD       LYS  18   6.663   2.186 -13.471
  136   2HD   LYS  18          2HD       LYS  18   6.221   0.496 -13.713
  137   1HE   LYS  18          1HE       LYS  18   5.689   2.872 -15.552
  138   2HE   LYS  18          2HE       LYS  18   6.554   1.373 -15.933
  139   1HZ   LYS  18          1HZ       LYS  18   4.265   0.281 -15.654
  140   2HZ   LYS  18          2HZ       LYS  18   3.652   1.766 -15.551
  141   3HZ   LYS  18          3HZ       LYS  18   4.381   1.327 -16.926
  142    H    ALA  19           H        ALA  19   2.886  -0.119 -10.556
  143    HA   ALA  19           HA       ALA  19   0.715  -0.081 -12.370
  144   1HB   ALA  19          1HB       ALA  19   1.585  -2.111 -11.212
  145   2HB   ALA  19          2HB       ALA  19   0.909  -1.451  -9.689
  146   3HB   ALA  19          3HB       ALA  19  -0.180  -1.926 -11.011
  147    H    HIS  20           H        HIS  20   0.757   0.557  -8.836
  148    HA   HIS  20           HA       HIS  20  -2.015   1.215  -8.554
  149   1HB   HIS  20          1HB       HIS  20   0.485   1.860  -6.952
  150   2HB   HIS  20          2HB       HIS  20  -1.067   2.572  -6.553
  151    HD1  HIS  20           HND      HIS  20   0.275  -1.046  -7.021
  152    HD2  HIS  20           HD       HIS  20  -2.525   1.218  -4.871
  153    HE1  HIS  20           HE       HIS  20  -0.872  -2.638  -5.419
  154    H    ALA  21           H        ALA  21   0.863   3.061  -9.474
  155    HA   ALA  21           HA       ALA  21  -0.390   5.656  -9.393
  156   1HB   ALA  21          1HB       ALA  21   2.069   5.347  -9.449
  157   2HB   ALA  21          2HB       ALA  21   1.967   4.826 -11.132
  158   3HB   ALA  21          3HB       ALA  21   1.473   6.460 -10.701
  159    H    GLU  22           H        GLU  22   0.152   3.478 -12.165
  160    HA   GLU  22           HA       GLU  22  -1.225   5.316 -13.951
  161   1HB   GLU  22          1HB       GLU  22  -0.759   3.704 -15.728
  162   2HB   GLU  22          2HB       GLU  22   0.624   4.238 -14.780
  163   1HG   GLU  22          1HG       GLU  22   0.082   1.896 -13.480
  164   2HG   GLU  22          2HG       GLU  22  -0.582   1.503 -15.056
  165    H    LYS  23           H        LYS  23  -2.117   2.210 -12.418
  166    HA   LYS  23           HA       LYS  23  -4.701   1.955 -13.514
  167   1HB   LYS  23          1HB       LYS  23  -3.595   1.284 -10.751
  168   2HB   LYS  23          2HB       LYS  23  -5.111   0.670 -11.390
  169   1HG   LYS  23          1HG       LYS  23  -2.548   0.247 -12.993
  170   2HG   LYS  23          2HG       LYS  23  -2.832  -0.742 -11.563
  171   1HD   LYS  23          1HD       LYS  23  -4.921  -0.372 -13.700
  172   2HD   LYS  23          2HD       LYS  23  -3.604  -1.549 -13.892
  173   1HE   LYS  23          1HE       LYS  23  -4.220  -2.612 -11.690
  174   2HE   LYS  23          2HE       LYS  23  -5.586  -1.515 -11.535
  175   1HZ   LYS  23          1HZ       LYS  23  -6.215  -3.598 -12.249
  176   2HZ   LYS  23          2HZ       LYS  23  -6.560  -2.545 -13.463
  177   3HZ   LYS  23          3HZ       LYS  23  -5.266  -3.591 -13.589
  178    H    LEU  24           H        LEU  24  -3.596   3.654 -10.535
  179    HA   LEU  24           HA       LEU  24  -6.360   4.552 -10.026
  180   1HB   LEU  24          1HB       LEU  24  -3.915   5.014  -8.305
  181   2HB   LEU  24          2HB       LEU  24  -5.604   5.144  -7.857
  182    HG   LEU  24           HG       LEU  24  -4.357   2.483  -8.728
  183   1HD1  LEU  24          1HD1      LEU  24  -4.652   3.638  -5.946
  184   2HD1  LEU  24          2HD1      LEU  24  -4.237   1.955  -6.336
  185   3HD1  LEU  24          3HD1      LEU  24  -3.158   3.286  -6.791
  186   1HD2  LEU  24          1HD2      LEU  24  -6.987   3.275  -7.441
  187   2HD2  LEU  24          2HD2      LEU  24  -6.718   2.400  -8.961
  188   3HD2  LEU  24          3HD2      LEU  24  -6.329   1.628  -7.413
  189    H    GLY  25           H        GLY  25  -3.076   6.142 -10.281
  190   1HA   GLY  25          1HA       GLY  25  -3.458   8.181 -11.816
  191   2HA   GLY  25          2HA       GLY  25  -4.341   8.812 -10.411
  192    H    CYS  26           H        CYS  26  -3.231   8.923  -8.405
  193    HA   CYS  26           HA       CYS  26  -0.512   8.551  -7.800
  194   1HB   CYS  26          1HB       CYS  26  -0.436  10.465  -9.783
  195   2HB   CYS  26          2HB       CYS  26  -0.771  11.483  -8.411
  196    H    ASP  27           H        ASP  27  -3.084  10.758  -7.802
  197    HA   ASP  27           HA       ASP  27  -3.362  12.175  -5.441
  198   1HB   ASP  27          1HB       ASP  27  -5.770  11.925  -6.028
  199   2HB   ASP  27          2HB       ASP  27  -4.796  12.367  -7.432
  200    H    ALA  28           H        ALA  28  -4.184   8.896  -6.282
  201    HA   ALA  28           HA       ALA  28  -5.504   7.745  -4.259
  202   1HB   ALA  28          1HB       ALA  28  -3.027   6.720  -5.704
  203   2HB   ALA  28          2HB       ALA  28  -4.087   5.679  -4.736
  204   3HB   ALA  28          3HB       ALA  28  -4.721   6.509  -6.181
  205    H    CYS  29           H        CYS  29  -2.071   8.564  -4.159
  206    HA   CYS  29           HA       CYS  29  -1.966   7.953  -1.215
  207   1HB   CYS  29          1HB       CYS  29   0.219   7.453  -3.229
  208   2HB   CYS  29          2HB       CYS  29   0.198   6.983  -1.516
  209    H    HIS  30           H        HIS  30  -0.599   9.847  -3.962
  210    HA   HIS  30           HA       HIS  30   0.987  11.447  -2.013
  211   1HB   HIS  30          1HB       HIS  30   1.024  11.218  -5.036
  212   2HB   HIS  30          2HB       HIS  30   2.006  12.351  -4.119
  213    HD1  HIS  30           HND      HIS  30   3.496  10.982  -2.049
  214    HD2  HIS  30           HD       HIS  30   2.337   9.027  -5.553
  215    HE1  HIS  30           HE       HIS  30   5.128   8.973  -2.395
  216    H    GLU  31           H        GLU  31  -1.264  12.155  -1.283
  217    HA   GLU  31           HA       GLU  31  -2.657  14.146  -2.819
  218   1HB   GLU  31          1HB       GLU  31  -2.468  14.108   0.256
  219   2HB   GLU  31          2HB       GLU  31  -3.692  14.836  -0.789
  220   1HG   GLU  31          1HG       GLU  31  -3.949  12.405  -1.684
  221   2HG   GLU  31          2HG       GLU  31  -3.195  11.917  -0.163
  222    H    GLY  32           H        GLY  32  -0.486  14.481  -0.129
  223   1HA   GLY  32          1HA       GLY  32  -0.148  17.320  -0.278
  224   2HA   GLY  32          2HA       GLY  32   0.875  16.222   0.662
  225    H    THR  33           H        THR  33   2.475  14.891  -0.727
  226    HA   THR  33           HA       THR  33   3.362  15.848  -3.244
  227    HB   THR  33           HB       THR  33   4.091  17.851  -2.057
  228    HG1  THR  33           HG1      THR  33   5.612  17.331  -3.461
  229   1HG2  THR  33          1HG2      THR  33   4.123  17.018   0.272
  230   2HG2  THR  33          2HG2      THR  33   5.560  16.040  -0.095
  231   3HG2  THR  33          3HG2      THR  33   5.642  17.806  -0.174
  232    HA   PRO  34           HA       PRO  34   5.347  11.834  -2.419
  233   1HB   PRO  34          1HB       PRO  34   6.781  11.436  -4.614
  234   2HB   PRO  34          2HB       PRO  34   5.004  11.478  -4.696
  235   1HG   PRO  34          1HG       PRO  34   6.905  13.743  -5.299
  236   2HG   PRO  34          2HG       PRO  34   5.526  13.154  -6.286
  237   1HD   PRO  34          1HD       PRO  34   5.303  15.302  -4.617
  238   2HD   PRO  34          2HD       PRO  34   3.952  14.156  -4.860
  239    H    ALA  35           H        ALA  35   6.415  13.842  -0.882
  240    HA   ALA  35           HA       ALA  35   9.370  13.746  -1.233
  241   1HB   ALA  35          1HB       ALA  35   8.309  15.825  -0.463
  242   2HB   ALA  35          2HB       ALA  35   7.606  14.968   0.927
  243   3HB   ALA  35          3HB       ALA  35   9.372  15.136   0.785
  244    H    LYS  36           H        LYS  36   8.709  11.283  -1.321
  245    HA   LYS  36           HA       LYS  36   8.514   9.203  -0.417
  246   1HB   LYS  36          1HB       LYS  36   9.750  10.540   2.040
  247   2HB   LYS  36          2HB       LYS  36   9.193   8.890   2.068
  248   1HG   LYS  36          1HG       LYS  36  10.859   9.440  -0.309
  249   2HG   LYS  36          2HG       LYS  36  11.711   9.781   1.187
  250   1HD   LYS  36          1HD       LYS  36  10.138   7.217   0.747
  251   2HD   LYS  36          2HD       LYS  36  11.839   7.354   0.313
  252   1HE   LYS  36          1HE       LYS  36  12.579   7.620   2.475
  253   2HE   LYS  36          2HE       LYS  36  11.043   8.191   3.119
  254   1HZ   LYS  36          1HZ       LYS  36  11.268   5.399   2.191
  255   2HZ   LYS  36          2HZ       LYS  36  11.585   5.848   3.768
  256   3HZ   LYS  36          3HZ       LYS  36  10.124   6.069   3.014
  257    H    ILE  37           H        ILE  37   7.340   8.030   1.545
  258    HA   ILE  37           HA       ILE  37   5.296   9.812   2.731
  259    HB   ILE  37           HB       ILE  37   4.370   7.044   2.007
  260   1HG1  ILE  37          1HG1      ILE  37   4.219   9.465   0.194
  261   2HG1  ILE  37          2HG1      ILE  37   4.946   7.876  -0.110
  262   1HG2  ILE  37          1HG2      ILE  37   2.895   9.677   2.469
  263   2HG2  ILE  37          2HG2      ILE  37   2.163   8.065   2.358
  264   3HG2  ILE  37          3HG2      ILE  37   3.189   8.465   3.729
  265   1HD1  ILE  37          1HD1      ILE  37   2.557   6.915   0.185
  266   2HD1  ILE  37          2HD1      ILE  37   1.990   8.596   0.112
  267   3HD1  ILE  37          3HD1      ILE  37   2.827   7.884  -1.266
  268    H    ALA  38           H        ALA  38   6.762   6.633   2.794
  269    HA   ALA  38           HA       ALA  38   7.261   5.173   4.449
  270   1HB   ALA  38          1HB       ALA  38   8.597   7.005   5.385
  271   2HB   ALA  38          2HB       ALA  38   7.216   7.521   6.382
  272   3HB   ALA  38          3HB       ALA  38   7.934   5.920   6.629
  273    H    ILE  39           H        ILE  39   5.089   4.582   3.676
  274    HA   ILE  39           HA       ILE  39   2.946   4.682   5.712
  275    HB   ILE  39           HB       ILE  39   3.239   3.224   3.067
  276   1HG1  ILE  39          1HG1      ILE  39   2.779   5.570   2.807
  277   2HG1  ILE  39          2HG1      ILE  39   1.375   4.590   2.395
  278   1HG2  ILE  39          1HG2      ILE  39   2.000   1.694   4.354
  279   2HG2  ILE  39          2HG2      ILE  39   1.091   2.970   5.194
  280   3HG2  ILE  39          3HG2      ILE  39   0.778   2.619   3.484
  281   1HD1  ILE  39          1HD1      ILE  39   1.700   6.296   4.887
  282   2HD1  ILE  39          2HD1      ILE  39   0.572   6.518   3.548
  283   3HD1  ILE  39          3HD1      ILE  39   0.365   5.142   4.639
  284    H    ASP  40           H        ASP  40   3.399   3.684   7.425
  285    HA   ASP  40           HA       ASP  40   4.968   1.114   7.395
  286   1HB   ASP  40          1HB       ASP  40   4.522   2.470   9.995
  287   2HB   ASP  40          2HB       ASP  40   5.852   1.479   9.446
  288    H    LYS  41           H        LYS  41   4.144  -0.433   9.103
  289    HA   LYS  41           HA       LYS  41   1.673  -1.377   8.896
  290   1HB   LYS  41          1HB       LYS  41   1.963  -2.325  11.162
  291   2HB   LYS  41          2HB       LYS  41   3.347  -2.495  10.119
  292   1HG   LYS  41          1HG       LYS  41   4.597  -1.819  11.803
  293   2HG   LYS  41          2HG       LYS  41   4.107  -0.202  11.389
  294   1HD   LYS  41          1HD       LYS  41   3.711  -0.328  13.693
  295   2HD   LYS  41          2HD       LYS  41   2.092  -0.568  13.008
  296   1HE   LYS  41          1HE       LYS  41   2.452  -3.081  13.224
  297   2HE   LYS  41          2HE       LYS  41   4.018  -2.749  13.977
  298   1HZ   LYS  41          1HZ       LYS  41   2.846  -1.603  15.738
  299   2HZ   LYS  41          2HZ       LYS  41   1.393  -1.927  15.032
  300   3HZ   LYS  41          3HZ       LYS  41   2.326  -3.156  15.599
  301    H    LYS  42           H        LYS  42   2.468   1.192  11.134
  302    HA   LYS  42           HA       LYS  42   0.147   1.527  12.525
  303   1HB   LYS  42          1HB       LYS  42   0.855   3.813  12.966
  304   2HB   LYS  42          2HB       LYS  42   2.313   2.840  12.782
  305   1HG   LYS  42          1HG       LYS  42   1.826   3.724  10.187
  306   2HG   LYS  42          2HG       LYS  42   1.273   5.102  11.108
  307   1HD   LYS  42          1HD       LYS  42   4.004   3.826  11.598
  308   2HD   LYS  42          2HD       LYS  42   3.663   4.654  10.072
  309   1HE   LYS  42          1HE       LYS  42   3.040   6.715  11.503
  310   2HE   LYS  42          2HE       LYS  42   3.885   5.855  12.811
  311   1HZ   LYS  42          1HZ       LYS  42   4.949   6.747  10.209
  312   2HZ   LYS  42          2HZ       LYS  42   5.566   7.068  11.709
  313   3HZ   LYS  42          3HZ       LYS  42   5.687   5.566  10.996
  314    H    SER  43           H        SER  43   0.609   2.535   9.201
  315    HA   SER  43           HA       SER  43  -2.131   3.668   9.033
  316   1HB   SER  43          1HB       SER  43   0.283   4.026   7.217
  317   2HB   SER  43          2HB       SER  43  -1.285   4.843   7.101
  318    HG   SER  43           HG       SER  43  -0.860   5.782   9.132
  319    H    ALA  44           H        ALA  44   0.332   1.543   7.526
  320    HA   ALA  44           HA       ALA  44  -1.116   0.730   5.316
  321   1HB   ALA  44          1HB       ALA  44   0.722  -1.204   6.705
  322   2HB   ALA  44          2HB       ALA  44   0.638  -0.678   4.999
  323   3HB   ALA  44          3HB       ALA  44   1.396   0.355   6.182
  324    H    HIS  45           H        HIS  45  -1.085  -0.759   8.608
  325    HA   HIS  45           HA       HIS  45  -2.901  -2.905   7.745
  326   1HB   HIS  45          1HB       HIS  45  -1.535  -2.130  10.304
  327   2HB   HIS  45          2HB       HIS  45  -3.099  -2.903  10.451
  328    HD1  HIS  45           HND      HIS  45  -2.452  -5.239  11.233
  329    HD2  HIS  45           HD       HIS  45  -0.372  -3.895   7.837
  330    HE1  HIS  45           HE       HIS  45  -1.082  -7.206  10.391
  331    H    LYS  46           H        LYS  46  -3.308   0.434   8.532
  332    HA   LYS  46           HA       LYS  46  -6.041   0.259   8.114
  333   1HB   LYS  46          1HB       LYS  46  -5.600  -0.566  10.739
  334   2HB   LYS  46          2HB       LYS  46  -5.886   1.144  10.969
  335   1HG   LYS  46          1HG       LYS  46  -7.677  -0.778   9.431
  336   2HG   LYS  46          2HG       LYS  46  -7.915  -0.239  11.105
  337   1HD   LYS  46          1HD       LYS  46  -7.960   2.189  10.106
  338   2HD   LYS  46          2HD       LYS  46  -8.063   1.407   8.531
  339   1HE   LYS  46          1HE       LYS  46 -10.296   1.898   9.113
  340   2HE   LYS  46          2HE       LYS  46 -10.115   0.152   9.330
  341   1HZ   LYS  46          1HZ       LYS  46 -10.034   2.197  11.462
  342   2HZ   LYS  46          2HZ       LYS  46 -11.280   1.168  11.164
  343   3HZ   LYS  46          3HZ       LYS  46  -9.844   0.582  11.710
  344    H    ASP  47           H        ASP  47  -6.150   2.039   7.011
  345    HA   ASP  47           HA       ASP  47  -6.628   4.204   6.762
  346   1HB   ASP  47          1HB       ASP  47  -6.152   4.748   9.213
  347   2HB   ASP  47          2HB       ASP  47  -4.482   5.095   8.717
  348    H    ALA  48           H        ALA  48  -4.938   2.360   5.468
  349    HA   ALA  48           HA       ALA  48  -4.155   4.216   3.422
  350   1HB   ALA  48          1HB       ALA  48  -1.768   3.295   3.282
  351   2HB   ALA  48          2HB       ALA  48  -2.089   4.412   4.621
  352   3HB   ALA  48          3HB       ALA  48  -2.042   2.678   4.938
  353    H    CYS  49           H        CYS  49  -2.584   1.078   3.735
  354    HA   CYS  49           HA       CYS  49  -3.584   0.260   1.216
  355   1HB   CYS  49          1HB       CYS  49  -2.504  -1.610   3.295
  356   2HB   CYS  49          2HB       CYS  49  -2.395  -1.768   1.569
  357    H    LYS  50           H        LYS  50  -4.204  -1.244   4.425
  358    HA   LYS  50           HA       LYS  50  -6.496  -2.724   3.486
  359   1HB   LYS  50          1HB       LYS  50  -4.740  -3.277   5.298
  360   2HB   LYS  50          2HB       LYS  50  -5.655  -2.196   6.353
  361   1HG   LYS  50          1HG       LYS  50  -7.692  -3.698   5.897
  362   2HG   LYS  50          2HG       LYS  50  -6.594  -4.748   4.989
  363   1HD   LYS  50          1HD       LYS  50  -6.253  -5.804   7.037
  364   2HD   LYS  50          2HD       LYS  50  -5.142  -4.474   7.284
  365   1HE   LYS  50          1HE       LYS  50  -6.391  -4.431   9.239
  366   2HE   LYS  50          2HE       LYS  50  -7.184  -3.178   8.268
  367   1HZ   LYS  50          1HZ       LYS  50  -8.749  -4.630   9.321
  368   2HZ   LYS  50          2HZ       LYS  50  -8.863  -4.783   7.686
  369   3HZ   LYS  50          3HZ       LYS  50  -8.116  -5.952   8.581
  370    H    THR  51           H        THR  51  -7.057  -0.154   2.834
  371    HA   THR  51           HA       THR  51  -9.470   0.530   4.292
  372    HB   THR  51           HB       THR  51  -7.189   2.574   4.192
  373    HG1  THR  51           HG1      THR  51  -7.935   0.665   6.018
  374   1HG2  THR  51          1HG2      THR  51  -9.936   2.660   5.517
  375   2HG2  THR  51          2HG2      THR  51  -8.677   3.906   5.633
  376   3HG2  THR  51          3HG2      THR  51  -9.447   3.580   4.075
  377    H    CYS  52           H        CYS  52  -6.978   1.796   2.000
  378    HA   CYS  52           HA       CYS  52  -8.827   3.020   0.216
  379   1HB   CYS  52          1HB       CYS  52  -6.373   3.419   0.544
  380   2HB   CYS  52          2HB       CYS  52  -6.071   1.954  -0.402
  381    H    HIS  53           H        HIS  53  -7.562  -0.278   0.488
  382    HA   HIS  53           HA       HIS  53  -8.387  -1.254  -2.029
  383   1HB   HIS  53          1HB       HIS  53  -7.801  -2.521   0.656
  384   2HB   HIS  53          2HB       HIS  53  -8.349  -3.479  -0.705
  385    HD1  HIS  53           HND      HIS  53  -6.174  -4.814  -0.780
  386    HD2  HIS  53           HD       HIS  53  -5.939  -0.768  -1.830
  387    HE1  HIS  53           HE       HIS  53  -4.012  -4.506  -2.089
  388    H    LYS  54           H        LYS  54 -10.636   0.291  -1.009
  389    HA   LYS  54           HA       LYS  54 -12.818  -1.111   0.031
  390   1HB   LYS  54          1HB       LYS  54 -12.806   1.164  -1.938
  391   2HB   LYS  54          2HB       LYS  54 -14.172   0.608  -0.961
  392   1HG   LYS  54          1HG       LYS  54 -11.589   1.786   0.096
  393   2HG   LYS  54          2HG       LYS  54 -13.141   2.583  -0.057
  394   1HD   LYS  54          1HD       LYS  54 -12.610   0.197   1.719
  395   2HD   LYS  54          2HD       LYS  54 -12.650   1.879   2.240
  396   1HE   LYS  54          1HE       LYS  54 -15.041   2.045   1.416
  397   2HE   LYS  54          2HE       LYS  54 -15.015   0.306   1.082
  398   1HZ   LYS  54          1HZ       LYS  54 -15.998   0.784   3.186
  399   2HZ   LYS  54          2HZ       LYS  54 -14.618  -0.082   3.405
  400   3HZ   LYS  54          3HZ       LYS  54 -14.639   1.536   3.724
  401    H    SER  55           H        SER  55 -12.835  -3.194  -0.897
  402    HA   SER  55           HA       SER  55 -13.762  -4.805  -2.198
  403   1HB   SER  55          1HB       SER  55 -15.763  -3.276  -2.375
  404   2HB   SER  55          2HB       SER  55 -15.077  -2.628  -3.882
  405    HG   SER  55           HG       SER  55 -15.042  -4.782  -4.663
  406    H    ASN  56           H        ASN  56 -11.145  -3.529  -2.710
  407    HA   ASN  56           HA       ASN  56 -10.796  -4.141  -5.633
  408   1HB   ASN  56          1HB       ASN  56  -8.935  -2.835  -3.612
  409   2HB   ASN  56          2HB       ASN  56  -8.477  -3.304  -5.255
  410   1HD2  ASN  56          1HD2      ASN  56  -9.177  -0.509  -3.648
  411   2HD2  ASN  56          2HD2      ASN  56 -10.113   0.283  -4.885
  412    H    ASN  57           H        ASN  57  -8.632  -4.788  -2.835
  413    HA   ASN  57           HA       ASN  57  -9.643  -7.507  -2.726
  414   1HB   ASN  57          1HB       ASN  57  -7.731  -7.764  -4.318
  415   2HB   ASN  57          2HB       ASN  57  -6.642  -7.089  -3.090
  416   1HD2  ASN  57          1HD2      ASN  57  -5.925  -9.598  -3.913
  417   2HD2  ASN  57          2HD2      ASN  57  -6.378 -10.766  -2.690
  418    H    GLY  58           H        GLY  58  -9.992  -7.854  -0.602
  419   1HA   GLY  58          1HA       GLY  58  -9.185  -5.852   1.365
  420   2HA   GLY  58          2HA       GLY  58 -10.169  -7.306   1.614
  421    HA   PRO  59           HA       PRO  59  -6.001  -8.268   3.346
  422   1HB   PRO  59          1HB       PRO  59  -6.595  -8.742   5.938
  423   2HB   PRO  59          2HB       PRO  59  -6.537  -7.099   5.247
  424   1HG   PRO  59          1HG       PRO  59  -8.993  -8.824   5.699
  425   2HG   PRO  59          2HG       PRO  59  -8.761  -7.120   6.186
  426   1HD   PRO  59          1HD       PRO  59 -10.036  -7.881   3.858
  427   2HD   PRO  59          2HD       PRO  59  -9.116  -6.355   3.992
  428    H    THR  60           H        THR  60  -8.695 -10.099   2.619
  429    HA   THR  60           HA       THR  60  -8.958 -12.160   2.026
  430    HB   THR  60           HB       THR  60  -7.518 -12.779   0.490
  431    HG1  THR  60           HG1      THR  60  -5.410 -12.647   2.357
  432   1HG2  THR  60          1HG2      THR  60  -5.931 -11.152  -0.272
  433   2HG2  THR  60          2HG2      THR  60  -7.326 -10.294   0.395
  434   3HG2  THR  60          3HG2      THR  60  -5.805 -10.403   1.319
  435    H    LYS  61           H        LYS  61  -7.761 -11.821   4.970
  436    HA   LYS  61           HA       LYS  61  -7.765 -13.132   6.839
  437   1HB   LYS  61          1HB       LYS  61  -7.838 -15.656   5.158
  438   2HB   LYS  61          2HB       LYS  61  -8.040 -15.517   6.886
  439   1HG   LYS  61          1HG       LYS  61  -9.984 -14.218   4.909
  440   2HG   LYS  61          2HG       LYS  61 -10.118 -15.883   5.476
  441   1HD   LYS  61          1HD       LYS  61 -10.128 -15.024   7.855
  442   2HD   LYS  61          2HD       LYS  61 -10.225 -13.374   7.199
  443   1HE   LYS  61          1HE       LYS  61 -12.343 -13.983   6.015
  444   2HE   LYS  61          2HE       LYS  61 -12.215 -15.639   6.628
  445   1HZ   LYS  61          1HZ       LYS  61 -12.440 -14.779   8.856
  446   2HZ   LYS  61          2HZ       LYS  61 -12.592 -13.238   8.288
  447   3HZ   LYS  61          3HZ       LYS  61 -13.730 -14.367   7.928
  448    H    CYS  62           H        CYS  62  -5.711 -11.865   5.671
  449    HA   CYS  62           HA       CYS  62  -3.562 -11.562   6.054
  450   1HB   CYS  62          1HB       CYS  62  -3.805 -13.447   7.772
  451   2HB   CYS  62          2HB       CYS  62  -2.936 -14.410   6.546
  452    H    GLY  63           H        GLY  63  -1.371 -13.276   5.024
  453   1HA   GLY  63          1HA       GLY  63  -0.533 -14.183   3.103
  454   2HA   GLY  63          2HA       GLY  63  -2.180 -14.420   2.509
  455    H    GLY  64           H        GLY  64  -3.193 -11.996   2.268
  456   1HA   GLY  64          1HA       GLY  64  -3.058 -10.988  -0.052
  457   2HA   GLY  64          2HA       GLY  64  -3.101  -9.890   1.343
  458    H    CYS  65           H        CYS  65  -0.777  -9.652   2.300
  459    HA   CYS  65           HA       CYS  65   0.625  -8.167   0.124
  460   1HB   CYS  65          1HB       CYS  65   0.307  -7.455   3.008
  461   2HB   CYS  65          2HB       CYS  65   0.694  -6.359   1.673
  462    H    HIS  66           H        HIS  66   1.085  -9.950   3.170
  463    HA   HIS  66           HA       HIS  66   4.040  -9.823   3.027
  464   1HB   HIS  66          1HB       HIS  66   2.168 -11.424   4.803
  465   2HB   HIS  66          2HB       HIS  66   3.913 -11.377   4.934
  466    HD1  HIS  66           HND      HIS  66   4.812  -8.572   5.207
  467    HD2  HIS  66           HD       HIS  66   0.906  -9.713   6.300
  468    HE1  HIS  66           HE       HIS  66   3.873  -6.772   6.802
  469    H    ILE  67           H        ILE  67   4.677 -10.975   1.122
  470    HA   ILE  67           HA       ILE  67   3.529 -13.542   0.403
  471    HB   ILE  67           HB       ILE  67   6.306 -12.418  -0.193
  472   1HG1  ILE  67          1HG1      ILE  67   5.152 -12.340  -2.565
  473   2HG1  ILE  67          2HG1      ILE  67   3.637 -12.287  -1.658
  474   1HG2  ILE  67          1HG2      ILE  67   6.367 -14.162  -1.939
  475   2HG2  ILE  67          2HG2      ILE  67   6.233 -14.892  -0.342
  476   3HG2  ILE  67          3HG2      ILE  67   4.800 -14.785  -1.385
  477   1HD1  ILE  67          1HD1      ILE  67   4.338 -10.165  -0.627
  478   2HD1  ILE  67          2HD1      ILE  67   5.973 -10.353  -1.303
  479   3HD1  ILE  67          3HD1      ILE  67   4.583 -10.068  -2.369
  480    H    LYS  68           H        LYS  68   3.365 -14.999   2.106
  481    HA   LYS  68           HA       LYS  68   5.755 -16.037   3.323
  482   1HB   LYS  68          1HB       LYS  68   5.282 -14.072   4.760
  483   2HB   LYS  68          2HB       LYS  68   3.581 -14.531   4.874
  484   1HG   LYS  68          1HG       LYS  68   4.853 -15.068   6.918
  485   2HG   LYS  68          2HG       LYS  68   4.117 -16.502   6.176
  486   1HD   LYS  68          1HD       LYS  68   6.267 -17.126   5.161
  487   2HD   LYS  68          2HD       LYS  68   7.024 -15.644   5.791
  488   1HE   LYS  68          1HE       LYS  68   6.633 -16.455   8.107
  489   2HE   LYS  68          2HE       LYS  68   5.772 -17.874   7.475
  490   1HZ   LYS  68          1HZ       LYS  68   7.795 -18.559   6.402
  491   2HZ   LYS  68          2HZ       LYS  68   8.608 -17.255   6.995
  492   3HZ   LYS  68          3HZ       LYS  68   8.033 -18.409   8.024
  493    HHA  HEC  69           HCM      HEC  69   8.345   7.193  -2.064
  494    HHB  HEC  69           HDM      HEC  69   6.783  10.184  -7.436
  495    HHC  HEC  69           HAM      HEC  69   1.313   6.848  -7.687
  496    HHD  HEC  69           HBM      HEC  69   2.596   4.645  -1.841
  497   1HMA  HEC  69          HM81      HEC  69  10.229  10.253  -5.931
  498   2HMA  HEC  69          HM82      HEC  69   9.064  10.279  -7.252
  499   3HMA  HEC  69          HM83      HEC  69   8.886  11.411  -5.883
  500   1HAA  HEC  69          HP71      HEC  69  10.273  10.045  -3.628
  501   2HAA  HEC  69          HP72      HEC  69   9.749   8.916  -2.400
  502   1HBA  HEC  69          HP73      HEC  69  10.758   7.047  -3.607
  503   2HBA  HEC  69          HP74      HEC  69  11.214   8.123  -4.937
  504   1HMB  HEC  69          HM11      HEC  69   5.929  10.603  -9.354
  505   2HMB  HEC  69          HM12      HEC  69   4.778   9.948 -10.503
  506   3HMB  HEC  69          HM13      HEC  69   4.263  11.200  -9.341
  507    HAB  HEC  69          HT2A      HEC  69   1.241   8.268  -9.227
  508   1HBB  HEC  69          HT21      HEC  69   2.564  10.456 -10.800
  509   2HBB  HEC  69          HT22      HEC  69   2.736   8.733 -11.240
  510   3HBB  HEC  69          HT23      HEC  69   1.143   9.487 -11.172
  511   1HMC  HEC  69          HM31      HEC  69  -1.189   5.023  -5.585
  512   2HMC  HEC  69          HM32      HEC  69  -0.715   6.460  -6.480
  513   3HMC  HEC  69          HM33      HEC  69  -0.218   4.851  -7.057
  514    HAC  HEC  69          HT4A      HEC  69   0.600   4.283  -2.200
  515   1HBC  HEC  69          HT41      HEC  69  -1.162   3.205  -4.378
  516   2HBC  HEC  69          HT42      HEC  69   0.426   2.477  -4.030
  517   3HBC  HEC  69          HT43      HEC  69  -0.824   2.563  -2.780
  518   1HMD  HEC  69          HM51      HEC  69   4.029   3.484  -0.352
  519   2HMD  HEC  69          HM52      HEC  69   5.210   4.151   0.774
  520   3HMD  HEC  69          HM53      HEC  69   3.663   4.972   0.532
  521   1HAD  HEC  69          HP61      HEC  69   7.922   6.694  -0.086
  522   2HAD  HEC  69          HP62      HEC  69   6.654   6.038   0.890
  523   1HBD  HEC  69          HP63      HEC  69   7.437   3.754   0.469
  524   2HBD  HEC  69          HP64      HEC  69   8.650   4.370  -0.673
  525    HHA  HEC  70           HCM      HEC  70  -4.042  -4.920  -6.490
  526    HHB  HEC  70           HDM      HEC  70  -0.267  -4.411  -1.332
  527    HHC  HEC  70           HAM      HEC  70  -2.288   1.577  -0.549
  528    HHD  HEC  70           HBM      HEC  70  -6.647   0.759  -5.080
  529   1HMA  HEC  70          HM81      HEC  70  -0.715  -6.735  -1.871
  530   2HMA  HEC  70          HM82      HEC  70  -0.668  -7.583  -3.413
  531   3HMA  HEC  70          HM83      HEC  70   0.552  -6.342  -3.064
  532   1HAA  HEC  70          HP71      HEC  70  -2.780  -6.725  -6.415
  533   2HAA  HEC  70          HP72      HEC  70  -1.528  -7.520  -5.494
  534   1HBA  HEC  70          HP73      HEC  70  -3.135  -8.087  -3.719
  535   2HBA  HEC  70          HP74      HEC  70  -4.400  -7.184  -4.562
  536   1HMB  HEC  70          HM11      HEC  70   0.922  -2.149   1.393
  537   2HMB  HEC  70          HM12      HEC  70  -0.214  -3.484   1.159
  538   3HMB  HEC  70          HM13      HEC  70   1.196  -3.318   0.092
  539    HAB  HEC  70          HT2A      HEC  70  -0.841   1.284   0.846
  540   1HBB  HEC  70          HT21      HEC  70   1.799  -0.188   0.924
  541   2HBB  HEC  70          HT22      HEC  70   1.369   1.143  -0.154
  542   3HBB  HEC  70          HT23      HEC  70   1.440   1.406   1.594
  543   1HMC  HEC  70          HM31      HEC  70  -4.183   3.559  -0.550
  544   2HMC  HEC  70          HM32      HEC  70  -2.765   3.632  -1.600
  545   3HMC  HEC  70          HM33      HEC  70  -4.271   4.374  -2.129
  546    HAC  HEC  70          HT4A      HEC  70  -7.435   2.046  -3.222
  547   1HBC  HEC  70          HT41      HEC  70  -6.665   3.130  -5.249
  548   2HBC  HEC  70          HT42      HEC  70  -7.699   4.217  -4.316
  549   3HBC  HEC  70          HT43      HEC  70  -5.943   4.446  -4.283
  550   1HMD  HEC  70          HM51      HEC  70  -8.055  -1.710  -7.526
  551   2HMD  HEC  70          HM52      HEC  70  -7.880  -0.193  -6.643
  552   3HMD  HEC  70          HM53      HEC  70  -6.946  -0.477  -8.130
  553   1HAD  HEC  70          HP61      HEC  70  -5.804  -2.578  -8.898
  554   2HAD  HEC  70          HP62      HEC  70  -4.734  -3.874  -8.426
  555   1HBD  HEC  70          HP63      HEC  70  -6.612  -5.267  -7.757
  556   2HBD  HEC  70          HP64      HEC  70  -7.751  -3.934  -8.026
  557    HHA  HEC  71           HCM      HEC  71   4.096  -4.027   8.762
  558    HHB  HEC  71           HDM      HEC  71   1.769  -9.249  11.626
  559    HHC  HEC  71           HAM      HEC  71  -2.332  -9.987   6.808
  560    HHD  HEC  71           HBM      HEC  71  -0.053  -4.854   4.010
  561   1HMA  HEC  71          HM81      HEC  71   3.899  -8.586  12.606
  562   2HMA  HEC  71          HM82      HEC  71   4.404  -6.967  13.113
  563   3HMA  HEC  71          HM83      HEC  71   2.717  -7.473  13.328
  564   1HAA  HEC  71          HP71      HEC  71   5.558  -4.681  10.293
  565   2HAA  HEC  71          HP72      HEC  71   5.437  -5.294  11.941
  566   1HBA  HEC  71          HP73      HEC  71   5.833  -7.585  11.050
  567   2HBA  HEC  71          HP74      HEC  71   6.065  -6.879   9.441
  568   1HMB  HEC  71          HM11      HEC  71   0.170 -12.498  10.693
  569   2HMB  HEC  71          HM12      HEC  71   1.145 -11.356  11.593
  570   3HMB  HEC  71          HM13      HEC  71  -0.593 -11.466  11.936
  571    HAB  HEC  71          HT2A      HEC  71  -3.050 -11.129   8.499
  572   1HBB  HEC  71          HT21      HEC  71  -3.558 -12.912   9.884
  573   2HBB  HEC  71          HT22      HEC  71  -1.884 -13.200  10.346
  574   3HBB  HEC  71          HT23      HEC  71  -2.753 -11.752  10.932
  575   1HMC  HEC  71          HM31      HEC  71  -3.952  -9.280   5.156
  576   2HMC  HEC  71          HM32      HEC  71  -3.369  -9.005   3.490
  577   3HMC  HEC  71          HM33      HEC  71  -2.569 -10.167   4.569
  578    HAC  HEC  71          HT4A      HEC  71  -1.913  -5.179   3.214
  579   1HBC  HEC  71          HT41      HEC  71  -4.259  -6.994   2.956
  580   2HBC  HEC  71          HT42      HEC  71  -4.150  -5.607   4.077
  581   3HBC  HEC  71          HT43      HEC  71  -4.025  -5.360   2.327
  582   1HMD  HEC  71          HM51      HEC  71   2.294  -2.058   4.076
  583   2HMD  HEC  71          HM52      HEC  71   1.734  -3.572   3.314
  584   3HMD  HEC  71          HM53      HEC  71   0.586  -2.576   4.155
  585   1HAD  HEC  71          HP61      HEC  71   3.587  -1.591   5.780
  586   2HAD  HEC  71          HP62      HEC  71   3.387  -1.869   7.489
  587   1HBD  HEC  71          HP63      HEC  71   5.327  -3.668   7.064
  588   2HBD  HEC  71          HP64      HEC  71   5.670  -2.619   5.721
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   6.960   5.006  -7.752
    2   2H    ALA   1          2H        ALA   1   7.262   6.604  -7.917
    3   3H    ALA   1          3H        ALA   1   6.504   5.771  -9.127
    4    HA   ALA   1           HA       ALA   1   8.728   6.160  -9.773
    5   1HB   ALA   1          1HB       ALA   1  10.587   5.131  -8.519
    6   2HB   ALA   1          2HB       ALA   1   9.756   6.387  -7.587
    7   3HB   ALA   1          3HB       ALA   1   9.477   4.678  -7.214
    8    H    ASP   2           H        ASP   2   8.991   2.980  -8.189
    9    HA   ASP   2           HA       ASP   2   8.025   1.357 -10.342
   10   1HB   ASP   2          1HB       ASP   2  10.177   0.461 -10.885
   11   2HB   ASP   2          2HB       ASP   2  10.257   2.203 -11.153
   12    H    VAL   3           H        VAL   3   8.670  -0.994  -9.594
   13    HA   VAL   3           HA       VAL   3   7.355  -1.238  -7.140
   14    HB   VAL   3           HB       VAL   3   7.163  -2.926  -8.820
   15   1HG1  VAL   3          1HG1      VAL   3   9.437  -2.908  -9.795
   16   2HG1  VAL   3          2HG1      VAL   3  10.070  -3.696  -8.335
   17   3HG1  VAL   3          3HG1      VAL   3   8.906  -4.537  -9.370
   18   1HG2  VAL   3          1HG2      VAL   3   6.842  -3.606  -6.429
   19   2HG2  VAL   3          2HG2      VAL   3   7.331  -4.937  -7.483
   20   3HG2  VAL   3          3HG2      VAL   3   8.516  -4.189  -6.396
   21    H    VAL   4           H        VAL   4   7.867  -1.321  -5.057
   22    HA   VAL   4           HA       VAL   4  10.737  -1.587  -4.260
   23    HB   VAL   4           HB       VAL   4   8.661   0.441  -3.368
   24   1HG1  VAL   4          1HG1      VAL   4  11.297  -0.215  -1.960
   25   2HG1  VAL   4          2HG1      VAL   4  10.283   1.201  -1.635
   26   3HG1  VAL   4          3HG1      VAL   4   9.685  -0.406  -1.253
   27   1HG2  VAL   4          1HG2      VAL   4  10.152   1.043  -5.271
   28   2HG2  VAL   4          2HG2      VAL   4  10.442   2.045  -3.837
   29   3HG2  VAL   4          3HG2      VAL   4  11.558   0.719  -4.237
   30    H    THR   5           H        THR   5  10.892  -2.297  -1.976
   31    HA   THR   5           HA       THR   5   8.392  -3.050  -0.843
   32    HB   THR   5           HB       THR   5   9.114  -5.219  -1.783
   33    HG1  THR   5           HG1      THR   5   8.308  -4.867   0.377
   34   1HG2  THR   5          1HG2      THR   5  11.197  -6.331  -1.088
   35   2HG2  THR   5          2HG2      THR   5  11.518  -4.875  -2.043
   36   3HG2  THR   5          3HG2      THR   5  11.731  -4.846  -0.282
   37    H    TYR   6           H        TYR   6   8.251  -3.019   1.225
   38    HA   TYR   6           HA       TYR   6   9.883  -1.242   2.711
   39   1HB   TYR   6          1HB       TYR   6   7.653  -3.089   3.573
   40   2HB   TYR   6          2HB       TYR   6   8.256  -1.710   4.469
   41    HD1  TYR   6           HD1      TYR   6   8.401   0.444   2.369
   42    HD2  TYR   6           HD2      TYR   6   5.417  -2.539   3.196
   43    HE1  TYR   6           HE1      TYR   6   6.754   1.705   1.067
   44    HE2  TYR   6           HE2      TYR   6   3.750  -1.235   1.929
   45    HH   TYR   6           HH       TYR   6   4.702   0.975  -0.345
   46    H    GLU   7           H        GLU   7   9.978  -4.757   2.530
   47    HA   GLU   7           HA       GLU   7  10.876  -6.399   3.761
   48   1HB   GLU   7          1HB       GLU   7  12.809  -4.264   4.383
   49   2HB   GLU   7          2HB       GLU   7  13.099  -6.006   4.541
   50   1HG   GLU   7          1HG       GLU   7  12.525  -4.623   1.877
   51   2HG   GLU   7          2HG       GLU   7  14.144  -4.994   2.472
   52    H    ASN   8           H        ASN   8   9.006  -5.985   5.218
   53    HA   ASN   8           HA       ASN   8   9.626  -5.582   8.094
   54   1HB   ASN   8          1HB       ASN   8   7.367  -6.542   8.463
   55   2HB   ASN   8          2HB       ASN   8   7.327  -5.141   7.439
   56   1HD2  ASN   8          1HD2      ASN   8   6.154  -5.399   5.485
   57   2HD2  ASN   8          2HD2      ASN   8   5.903  -6.957   4.746
   58    H    LYS   9           H        LYS   9   9.047  -7.454   9.586
   59    HA   LYS   9           HA       LYS   9  10.740  -9.680   8.849
   60   1HB   LYS   9          1HB       LYS   9   9.484  -8.589  11.329
   61   2HB   LYS   9          2HB       LYS   9   9.438 -10.336  11.265
   62   1HG   LYS   9          1HG       LYS   9  11.425  -9.807  12.364
   63   2HG   LYS   9          2HG       LYS   9  11.880 -10.354  10.735
   64   1HD   LYS   9          1HD       LYS   9  11.772  -7.747  10.165
   65   2HD   LYS   9          2HD       LYS   9  11.878  -7.528  11.906
   66   1HE   LYS   9          1HE       LYS   9  13.835  -8.953  10.037
   67   2HE   LYS   9          2HE       LYS   9  14.099  -7.409  10.859
   68   1HZ   LYS   9          1HZ       LYS   9  13.818 -10.030  12.188
   69   2HZ   LYS   9          2HZ       LYS   9  15.226  -9.215  11.969
   70   3HZ   LYS   9          3HZ       LYS   9  14.067  -8.596  12.960
   71    H    LYS  10           H        LYS  10   7.422  -9.188   8.190
   72    HA   LYS  10           HA       LYS  10   6.530 -11.865   8.948
   73   1HB   LYS  10          1HB       LYS  10   5.227  -9.835   7.073
   74   2HB   LYS  10          2HB       LYS  10   4.428 -11.236   7.754
   75   1HG   LYS  10          1HG       LYS  10   5.607  -9.114   9.579
   76   2HG   LYS  10          2HG       LYS  10   4.108  -8.801   8.725
   77   1HD   LYS  10          1HD       LYS  10   3.703  -9.666  10.976
   78   2HD   LYS  10          2HD       LYS  10   2.988 -10.688   9.718
   79   1HE   LYS  10          1HE       LYS  10   4.713 -12.366  10.012
   80   2HE   LYS  10          2HE       LYS  10   5.689 -11.270  11.028
   81   1HZ   LYS  10          1HZ       LYS  10   3.981 -11.427  12.691
   82   2HZ   LYS  10          2HZ       LYS  10   3.084 -12.434  11.739
   83   3HZ   LYS  10          3HZ       LYS  10   4.551 -12.917  12.300
   84    H    GLY  11           H        GLY  11   7.136 -10.150   5.945
   85   1HA   GLY  11          1HA       GLY  11   8.549 -12.130   4.557
   86   2HA   GLY  11          2HA       GLY  11   6.832 -12.432   4.194
   87    H    ASN  12           H        ASN  12   8.662  -9.453   4.884
   88    HA   ASN  12           HA       ASN  12   8.839  -7.439   3.847
   89   1HB   ASN  12          1HB       ASN  12   8.701  -8.975   1.243
   90   2HB   ASN  12          2HB       ASN  12   9.547  -7.469   1.592
   91   1HD2  ASN  12          1HD2      ASN  12  10.657  -8.507   4.276
   92   2HD2  ASN  12          2HD2      ASN  12  11.977  -9.499   3.694
   93    H    VAL  13           H        VAL  13   7.730  -6.136   1.790
   94    HA   VAL  13           HA       VAL  13   5.015  -7.087   1.174
   95    HB   VAL  13           HB       VAL  13   5.577  -4.603   2.744
   96   1HG1  VAL  13          1HG1      VAL  13   3.394  -3.609   1.847
   97   2HG1  VAL  13          2HG1      VAL  13   4.757  -3.456   0.775
   98   3HG1  VAL  13          3HG1      VAL  13   3.531  -4.722   0.481
   99   1HG2  VAL  13          1HG2      VAL  13   3.252  -5.052   3.565
  100   2HG2  VAL  13          2HG2      VAL  13   3.185  -6.470   2.501
  101   3HG2  VAL  13          3HG2      VAL  13   4.341  -6.384   3.828
  102    H    THR  14           H        THR  14   5.349  -7.330  -0.972
  103    HA   THR  14           HA       THR  14   6.980  -5.362  -2.453
  104    HB   THR  14           HB       THR  14   7.153  -7.725  -3.031
  105    HG1  THR  14           HG1      THR  14   7.516  -6.144  -4.604
  106   1HG2  THR  14          1HG2      THR  14   4.306  -7.556  -4.103
  107   2HG2  THR  14          2HG2      THR  14   5.419  -8.930  -4.186
  108   3HG2  THR  14          3HG2      THR  14   4.766  -8.417  -2.621
  109    H    PHE  15           H        PHE  15   6.123  -3.511  -3.278
  110    HA   PHE  15           HA       PHE  15   3.224  -3.483  -3.931
  111   1HB   PHE  15          1HB       PHE  15   2.861  -1.378  -2.917
  112   2HB   PHE  15          2HB       PHE  15   3.590  -2.406  -1.709
  113    HD1  PHE  15           HD1      PHE  15   3.840   0.726  -3.511
  114    HD2  PHE  15           HD2      PHE  15   6.045  -2.146  -1.158
  115    HE1  PHE  15           HE1      PHE  15   5.466   2.492  -2.875
  116    HE2  PHE  15           HE2      PHE  15   7.647  -0.382  -0.528
  117    HZ   PHE  15           HZ       PHE  15   7.339   1.929  -1.323
  118    H    ASP  16           H        ASP  16   3.141  -3.228  -6.086
  119    HA   ASP  16           HA       ASP  16   5.366  -1.992  -7.494
  120   1HB   ASP  16          1HB       ASP  16   4.299  -3.777  -8.609
  121   2HB   ASP  16          2HB       ASP  16   2.754  -2.924  -8.625
  122    H    HIS  17           H        HIS  17   5.700   0.000  -7.350
  123    HA   HIS  17           HA       HIS  17   3.939   1.967  -6.251
  124   1HB   HIS  17          1HB       HIS  17   6.489   1.556  -6.109
  125   2HB   HIS  17          2HB       HIS  17   6.587   2.281  -7.718
  126    HD1  HIS  17           HND      HIS  17   8.205   3.462  -5.435
  127    HD2  HIS  17           HD       HIS  17   4.236   4.549  -6.307
  128    HE1  HIS  17           HE       HIS  17   7.842   5.782  -4.436
  129    H    LYS  18           H        LYS  18   5.453   1.414  -9.431
  130    HA   LYS  18           HA       LYS  18   4.235   3.624 -10.823
  131   1HB   LYS  18          1HB       LYS  18   5.833   3.330 -12.179
  132   2HB   LYS  18          2HB       LYS  18   6.373   1.972 -11.287
  133   1HG   LYS  18          1HG       LYS  18   4.177   1.474 -13.251
  134   2HG   LYS  18          2HG       LYS  18   5.745   1.905 -13.839
  135   1HD   LYS  18          1HD       LYS  18   6.909   0.149 -12.966
  136   2HD   LYS  18          2HD       LYS  18   5.733  -0.175 -11.724
  137   1HE   LYS  18          1HE       LYS  18   5.211  -0.672 -14.701
  138   2HE   LYS  18          2HE       LYS  18   5.817  -1.909 -13.577
  139   1HZ   LYS  18          1HZ       LYS  18   3.212  -0.538 -13.366
  140   2HZ   LYS  18          2HZ       LYS  18   3.468  -2.073 -13.828
  141   3HZ   LYS  18          3HZ       LYS  18   3.839  -1.678 -12.284
  142    H    ALA  19           H        ALA  19   3.560   0.139 -10.649
  143    HA   ALA  19           HA       ALA  19   1.147  -0.030 -12.108
  144   1HB   ALA  19          1HB       ALA  19   0.278  -1.543 -10.314
  145   2HB   ALA  19          2HB       ALA  19   1.851  -2.002 -10.966
  146   3HB   ALA  19          3HB       ALA  19   1.725  -1.141  -9.390
  147    H    HIS  20           H        HIS  20   1.251   0.812  -8.571
  148    HA   HIS  20           HA       HIS  20  -1.536   1.445  -8.512
  149   1HB   HIS  20          1HB       HIS  20   0.783   2.227  -6.717
  150   2HB   HIS  20          2HB       HIS  20  -0.862   2.790  -6.457
  151    HD1  HIS  20           HND      HIS  20   0.987  -0.594  -6.586
  152    HD2  HIS  20           HD       HIS  20  -2.432   1.272  -5.010
  153    HE1  HIS  20           HE       HIS  20  -0.112  -2.265  -4.997
  154    H    ALA  21           H        ALA  21   1.341   3.341  -9.294
  155    HA   ALA  21           HA       ALA  21   0.058   5.908  -9.412
  156   1HB   ALA  21          1HB       ALA  21   1.961   6.656 -10.656
  157   2HB   ALA  21          2HB       ALA  21   2.531   5.535  -9.387
  158   3HB   ALA  21          3HB       ALA  21   2.442   5.011 -11.070
  159    H    GLU  22           H        GLU  22   0.648   3.573 -12.062
  160    HA   GLU  22           HA       GLU  22  -0.555   5.304 -14.041
  161   1HB   GLU  22          1HB       GLU  22  -0.061   3.565 -15.643
  162   2HB   GLU  22          2HB       GLU  22   1.316   3.839 -14.579
  163   1HG   GLU  22          1HG       GLU  22   0.443   1.798 -13.244
  164   2HG   GLU  22          2HG       GLU  22  -0.545   1.450 -14.665
  165    H    LYS  23           H        LYS  23  -1.582   2.356 -12.311
  166    HA   LYS  23           HA       LYS  23  -4.136   2.048 -13.451
  167   1HB   LYS  23          1HB       LYS  23  -3.088   1.506 -10.639
  168   2HB   LYS  23          2HB       LYS  23  -4.595   0.854 -11.271
  169   1HG   LYS  23          1HG       LYS  23  -1.981   0.365 -12.773
  170   2HG   LYS  23          2HG       LYS  23  -2.338  -0.570 -11.329
  171   1HD   LYS  23          1HD       LYS  23  -4.373  -0.264 -13.531
  172   2HD   LYS  23          2HD       LYS  23  -3.026  -1.409 -13.705
  173   1HE   LYS  23          1HE       LYS  23  -3.636  -2.526 -11.562
  174   2HE   LYS  23          2HE       LYS  23  -4.986  -1.412 -11.332
  175   1HZ   LYS  23          1HZ       LYS  23  -5.638  -3.501 -12.118
  176   2HZ   LYS  23          2HZ       LYS  23  -6.038  -2.375 -13.245
  177   3HZ   LYS  23          3HZ       LYS  23  -4.751  -3.397 -13.494
  178    H    LEU  24           H        LEU  24  -3.140   3.884 -10.509
  179    HA   LEU  24           HA       LEU  24  -5.945   4.749 -10.153
  180   1HB   LEU  24          1HB       LEU  24  -3.602   5.197  -8.300
  181   2HB   LEU  24          2HB       LEU  24  -5.321   5.304  -7.937
  182    HG   LEU  24           HG       LEU  24  -3.999   2.677  -8.775
  183   1HD1  LEU  24          1HD1      LEU  24  -4.468   3.801  -6.005
  184   2HD1  LEU  24          2HD1      LEU  24  -4.040   2.118  -6.381
  185   3HD1  LEU  24          3HD1      LEU  24  -2.924   3.447  -6.763
  186   1HD2  LEU  24          1HD2      LEU  24  -6.445   2.746  -9.084
  187   2HD2  LEU  24          2HD2      LEU  24  -5.982   1.693  -7.740
  188   3HD2  LEU  24          3HD2      LEU  24  -6.644   3.306  -7.405
  189    H    GLY  25           H        GLY  25  -2.673   6.277 -10.505
  190   1HA   GLY  25          1HA       GLY  25  -2.961   8.252 -12.063
  191   2HA   GLY  25          2HA       GLY  25  -3.903   8.978 -10.743
  192    H    CYS  26           H        CYS  26  -2.893   8.983  -8.657
  193    HA   CYS  26           HA       CYS  26  -0.258   8.558  -7.901
  194   1HB   CYS  26          1HB       CYS  26  -0.019  10.587  -9.742
  195   2HB   CYS  26          2HB       CYS  26  -0.517  11.530  -8.361
  196    H    ASP  27           H        ASP  27  -2.856  10.844  -7.971
  197    HA   ASP  27           HA       ASP  27  -2.818  12.201  -5.587
  198   1HB   ASP  27          1HB       ASP  27  -5.414  11.203  -6.838
  199   2HB   ASP  27          2HB       ASP  27  -5.068  12.763  -6.097
  200    H    ALA  28           H        ALA  28  -4.211   9.169  -6.445
  201    HA   ALA  28           HA       ALA  28  -5.706   8.241  -4.416
  202   1HB   ALA  28          1HB       ALA  28  -3.598   6.680  -5.971
  203   2HB   ALA  28          2HB       ALA  28  -5.035   5.999  -5.182
  204   3HB   ALA  28          3HB       ALA  28  -5.228   7.109  -6.547
  205    H    CYS  29           H        CYS  29  -2.168   8.478  -4.364
  206    HA   CYS  29           HA       CYS  29  -2.210   7.715  -1.452
  207   1HB   CYS  29          1HB       CYS  29   0.075   7.394  -3.398
  208   2HB   CYS  29          2HB       CYS  29   0.061   6.987  -1.671
  209    H    HIS  30           H        HIS  30  -0.672   9.733  -4.008
  210    HA   HIS  30           HA       HIS  30   0.578  11.412  -1.882
  211   1HB   HIS  30          1HB       HIS  30   1.068  11.150  -4.860
  212   2HB   HIS  30          2HB       HIS  30   1.907  12.268  -3.798
  213    HD1  HIS  30           HND      HIS  30   3.214  10.951  -1.669
  214    HD2  HIS  30           HD       HIS  30   2.429   9.017  -5.253
  215    HE1  HIS  30           HE       HIS  30   4.970   8.998  -1.896
  216    H    GLU  31           H        GLU  31  -1.601  12.204  -1.429
  217    HA   GLU  31           HA       GLU  31  -3.292  13.596  -3.113
  218   1HB   GLU  31          1HB       GLU  31  -2.596  14.319  -0.203
  219   2HB   GLU  31          2HB       GLU  31  -3.975  14.933  -1.120
  220   1HG   GLU  31          1HG       GLU  31  -3.977  12.109  -1.397
  221   2HG   GLU  31          2HG       GLU  31  -3.678  12.427   0.314
  222    H    GLY  32           H        GLY  32  -1.009  15.213  -1.022
  223   1HA   GLY  32          1HA       GLY  32  -1.268  17.768  -2.402
  224   2HA   GLY  32          2HA       GLY  32  -0.202  17.423  -1.033
  225    H    THR  33           H        THR  33   1.624  15.720  -1.718
  226    HA   THR  33           HA       THR  33   2.656  15.897  -4.363
  227    HB   THR  33           HB       THR  33   3.132  18.227  -3.677
  228    HG1  THR  33           HG1      THR  33   4.650  17.404  -4.986
  229   1HG2  THR  33          1HG2      THR  33   4.816  17.067  -1.418
  230   2HG2  THR  33          2HG2      THR  33   4.658  18.769  -1.875
  231   3HG2  THR  33          3HG2      THR  33   3.263  17.905  -1.208
  232    HA   PRO  34           HA       PRO  34   4.575  12.403  -2.296
  233   1HB   PRO  34          1HB       PRO  34   6.363  11.551  -4.123
  234   2HB   PRO  34          2HB       PRO  34   4.611  11.352  -4.350
  235   1HG   PRO  34          1HG       PRO  34   6.372  13.432  -5.547
  236   2HG   PRO  34          2HG       PRO  34   5.019  12.492  -6.275
  237   1HD   PRO  34          1HD       PRO  34   4.755  15.087  -5.363
  238   2HD   PRO  34          2HD       PRO  34   3.416  13.902  -5.356
  239    H    ALA  35           H        ALA  35   5.978  12.504  -0.631
  240    HA   ALA  35           HA       ALA  35   8.795  13.148  -1.120
  241   1HB   ALA  35          1HB       ALA  35   7.821  15.367  -0.622
  242   2HB   ALA  35          2HB       ALA  35   7.113  14.728   0.877
  243   3HB   ALA  35          3HB       ALA  35   8.881  14.822   0.695
  244    H    LYS  36           H        LYS  36   7.909  10.747  -0.794
  245    HA   LYS  36           HA       LYS  36   7.767   8.841   0.340
  246   1HB   LYS  36          1HB       LYS  36   9.464  10.362   2.325
  247   2HB   LYS  36          2HB       LYS  36   8.581   8.968   2.896
  248   1HG   LYS  36          1HG       LYS  36   9.630   7.693   0.857
  249   2HG   LYS  36          2HG       LYS  36  10.655   9.117   0.684
  250   1HD   LYS  36          1HD       LYS  36  11.771   7.350   1.917
  251   2HD   LYS  36          2HD       LYS  36  11.546   8.759   2.962
  252   1HE   LYS  36          1HE       LYS  36  10.202   7.587   4.432
  253   2HE   LYS  36          2HE       LYS  36   9.243   6.921   3.114
  254   1HZ   LYS  36          1HZ       LYS  36  11.623   5.639   4.207
  255   2HZ   LYS  36          2HZ       LYS  36  10.044   5.108   3.919
  256   3HZ   LYS  36          3HZ       LYS  36  10.972   5.320   2.688
  257    H    ILE  37           H        ILE  37   6.138   7.741   1.365
  258    HA   ILE  37           HA       ILE  37   4.185   9.375   2.914
  259    HB   ILE  37           HB       ILE  37   3.903   6.451   2.217
  260   1HG1  ILE  37          1HG1      ILE  37   3.416   8.876   0.494
  261   2HG1  ILE  37          2HG1      ILE  37   4.377   7.432   0.145
  262   1HG2  ILE  37          1HG2      ILE  37   2.365   7.471   3.911
  263   2HG2  ILE  37          2HG2      ILE  37   1.869   8.673   2.702
  264   3HG2  ILE  37          3HG2      ILE  37   1.511   6.950   2.465
  265   1HD1  ILE  37          1HD1      ILE  37   2.343   7.343  -1.141
  266   2HD1  ILE  37          2HD1      ILE  37   2.203   6.113   0.138
  267   3HD1  ILE  37          3HD1      ILE  37   1.342   7.664   0.279
  268    H    ALA  38           H        ALA  38   6.409   6.744   3.129
  269    HA   ALA  38           HA       ALA  38   7.418   5.590   4.801
  270   1HB   ALA  38          1HB       ALA  38   7.893   7.792   5.789
  271   2HB   ALA  38          2HB       ALA  38   6.394   7.698   6.741
  272   3HB   ALA  38          3HB       ALA  38   7.680   6.509   7.007
  273    H    ILE  39           H        ILE  39   5.849   4.061   4.072
  274    HA   ILE  39           HA       ILE  39   3.470   3.613   5.726
  275    HB   ILE  39           HB       ILE  39   4.735   2.120   3.444
  276   1HG1  ILE  39          1HG1      ILE  39   3.715   4.350   2.964
  277   2HG1  ILE  39          2HG1      ILE  39   2.966   3.012   2.138
  278   1HG2  ILE  39          1HG2      ILE  39   2.156   1.497   4.934
  279   2HG2  ILE  39          2HG2      ILE  39   2.659   0.758   3.400
  280   3HG2  ILE  39          3HG2      ILE  39   3.607   0.481   4.845
  281   1HD1  ILE  39          1HD1      ILE  39   1.076   3.101   3.803
  282   2HD1  ILE  39          2HD1      ILE  39   1.845   4.543   4.511
  283   3HD1  ILE  39          3HD1      ILE  39   1.278   4.562   2.839
  284    H    ASP  40           H        ASP  40   3.732   2.926   7.584
  285    HA   ASP  40           HA       ASP  40   5.722   0.841   8.416
  286   1HB   ASP  40          1HB       ASP  40   4.551   3.149  10.058
  287   2HB   ASP  40          2HB       ASP  40   5.535   1.841  10.705
  288    H    LYS  41           H        LYS  41   4.742  -0.363  10.361
  289    HA   LYS  41           HA       LYS  41   2.369  -1.624   9.852
  290   1HB   LYS  41          1HB       LYS  41   2.403  -2.310  12.213
  291   2HB   LYS  41          2HB       LYS  41   3.907  -2.477  11.339
  292   1HG   LYS  41          1HG       LYS  41   4.926  -1.591  13.045
  293   2HG   LYS  41          2HG       LYS  41   4.328  -0.016  12.526
  294   1HD   LYS  41          1HD       LYS  41   2.259  -0.440  13.982
  295   2HD   LYS  41          2HD       LYS  41   3.043  -1.901  14.572
  296   1HE   LYS  41          1HE       LYS  41   4.116   0.960  14.834
  297   2HE   LYS  41          2HE       LYS  41   3.333   0.028  16.116
  298   1HZ   LYS  41          1HZ       LYS  41   5.891  -0.661  14.819
  299   2HZ   LYS  41          2HZ       LYS  41   5.701  -0.043  16.326
  300   3HZ   LYS  41          3HZ       LYS  41   5.151  -1.554  15.986
  301    H    LYS  42           H        LYS  42   2.534   1.119  12.221
  302    HA   LYS  42           HA       LYS  42  -0.265   1.208  12.556
  303   1HB   LYS  42          1HB       LYS  42   1.355   1.990  14.195
  304   2HB   LYS  42          2HB       LYS  42   1.933   3.261  13.093
  305   1HG   LYS  42          1HG       LYS  42  -0.122   4.387  13.151
  306   2HG   LYS  42          2HG       LYS  42  -0.954   3.009  13.924
  307   1HD   LYS  42          1HD       LYS  42   0.440   3.366  15.977
  308   2HD   LYS  42          2HD       LYS  42   1.168   4.794  15.229
  309   1HE   LYS  42          1HE       LYS  42  -1.800   4.369  15.884
  310   2HE   LYS  42          2HE       LYS  42  -0.677   5.386  16.794
  311   1HZ   LYS  42          1HZ       LYS  42  -2.014   6.685  15.311
  312   2HZ   LYS  42          2HZ       LYS  42  -0.445   6.771  14.832
  313   3HZ   LYS  42          3HZ       LYS  42  -1.511   5.833  13.999
  314    H    SER  43           H        SER  43   1.581   2.211   9.856
  315    HA   SER  43           HA       SER  43  -0.491   4.149   8.889
  316   1HB   SER  43          1HB       SER  43   2.499   3.922   8.656
  317   2HB   SER  43          2HB       SER  43   1.523   4.969   7.617
  318    HG   SER  43           HG       SER  43   0.921   6.149   9.443
  319    H    ALA  44           H        ALA  44   0.022   1.212   8.666
  320    HA   ALA  44           HA       ALA  44  -0.321   0.763   5.711
  321   1HB   ALA  44          1HB       ALA  44   0.563  -1.489   6.226
  322   2HB   ALA  44          2HB       ALA  44   1.780  -0.198   6.433
  323   3HB   ALA  44          3HB       ALA  44   1.028  -0.953   7.843
  324    H    HIS  45           H        HIS  45  -0.737  -0.465   8.962
  325    HA   HIS  45           HA       HIS  45  -3.036  -2.127   8.218
  326   1HB   HIS  45          1HB       HIS  45  -1.076  -2.128  10.478
  327   2HB   HIS  45          2HB       HIS  45  -2.692  -2.694  10.844
  328    HD1  HIS  45           HND      HIS  45  -3.496  -4.966   9.801
  329    HD2  HIS  45           HD       HIS  45   0.345  -3.674   8.701
  330    HE1  HIS  45           HE       HIS  45  -2.398  -6.908   8.607
  331    H    LYS  46           H        LYS  46  -2.743   1.040   9.389
  332    HA   LYS  46           HA       LYS  46  -5.211   0.887  10.990
  333   1HB   LYS  46          1HB       LYS  46  -3.313   2.317  11.558
  334   2HB   LYS  46          2HB       LYS  46  -3.633   3.352  10.166
  335   1HG   LYS  46          1HG       LYS  46  -5.681   2.734  12.367
  336   2HG   LYS  46          2HG       LYS  46  -4.481   4.036  12.489
  337   1HD   LYS  46          1HD       LYS  46  -5.298   5.027  10.414
  338   2HD   LYS  46          2HD       LYS  46  -6.591   3.803  10.325
  339   1HE   LYS  46          1HE       LYS  46  -7.451   4.686  12.540
  340   2HE   LYS  46          2HE       LYS  46  -6.210   5.953  12.444
  341   1HZ   LYS  46          1HZ       LYS  46  -7.233   6.486  10.209
  342   2HZ   LYS  46          2HZ       LYS  46  -8.460   5.538  10.589
  343   3HZ   LYS  46          3HZ       LYS  46  -8.171   6.869  11.523
  344    H    ASP  47           H        ASP  47  -4.470   3.107   8.234
  345    HA   ASP  47           HA       ASP  47  -6.812   2.169   6.709
  346   1HB   ASP  47          1HB       ASP  47  -7.747   4.460   6.705
  347   2HB   ASP  47          2HB       ASP  47  -7.735   3.748   8.317
  348    H    ALA  48           H        ALA  48  -4.083   1.951   6.115
  349    HA   ALA  48           HA       ALA  48  -3.708   3.945   3.889
  350   1HB   ALA  48          1HB       ALA  48  -1.336   2.971   3.954
  351   2HB   ALA  48          2HB       ALA  48  -1.837   4.022   5.291
  352   3HB   ALA  48          3HB       ALA  48  -1.807   2.279   5.535
  353    H    CYS  49           H        CYS  49  -2.416   0.645   4.186
  354    HA   CYS  49           HA       CYS  49  -3.236   0.074   1.478
  355   1HB   CYS  49          1HB       CYS  49  -2.280  -1.929   3.474
  356   2HB   CYS  49          2HB       CYS  49  -2.139  -2.012   1.729
  357    H    LYS  50           H        LYS  50  -4.145  -1.421   4.652
  358    HA   LYS  50           HA       LYS  50  -6.407  -2.777   3.352
  359   1HB   LYS  50          1HB       LYS  50  -6.895  -3.639   5.642
  360   2HB   LYS  50          2HB       LYS  50  -5.394  -4.138   4.900
  361   1HG   LYS  50          1HG       LYS  50  -4.076  -3.156   6.404
  362   2HG   LYS  50          2HG       LYS  50  -5.071  -1.710   6.583
  363   1HD   LYS  50          1HD       LYS  50  -5.922  -4.417   7.718
  364   2HD   LYS  50          2HD       LYS  50  -4.899  -3.293   8.600
  365   1HE   LYS  50          1HE       LYS  50  -6.825  -1.519   7.938
  366   2HE   LYS  50          2HE       LYS  50  -7.809  -2.983   7.827
  367   1HZ   LYS  50          1HZ       LYS  50  -6.215  -2.050  10.117
  368   2HZ   LYS  50          2HZ       LYS  50  -7.839  -1.916  10.004
  369   3HZ   LYS  50          3HZ       LYS  50  -7.144  -3.416  10.151
  370    H    THR  51           H        THR  51  -6.851  -0.279   2.825
  371    HA   THR  51           HA       THR  51  -9.553  -0.241   3.979
  372    HB   THR  51           HB       THR  51  -8.519   1.623   5.137
  373    HG1  THR  51           HG1      THR  51 -10.098   3.153   4.422
  374   1HG2  THR  51          1HG2      THR  51  -8.163   3.024   2.446
  375   2HG2  THR  51          2HG2      THR  51  -7.860   3.667   4.051
  376   3HG2  THR  51          3HG2      THR  51  -6.836   2.361   3.437
  377    H    CYS  52           H        CYS  52  -7.513   1.311   1.441
  378    HA   CYS  52           HA       CYS  52  -9.295   1.553  -0.616
  379   1HB   CYS  52          1HB       CYS  52  -6.376   0.842  -0.434
  380   2HB   CYS  52          2HB       CYS  52  -7.214   0.626  -1.970
  381    H    HIS  53           H        HIS  53  -7.315  -1.411  -0.139
  382    HA   HIS  53           HA       HIS  53  -8.609  -2.725  -2.243
  383   1HB   HIS  53          1HB       HIS  53  -7.333  -4.311  -0.035
  384   2HB   HIS  53          2HB       HIS  53  -7.457  -4.682  -1.749
  385    HD1  HIS  53           HND      HIS  53  -5.526  -2.394   0.678
  386    HD2  HIS  53           HD       HIS  53  -5.551  -3.400  -3.431
  387    HE1  HIS  53           HE       HIS  53  -3.465  -1.495  -0.328
  388    H    LYS  54           H        LYS  54  -9.861  -2.179   0.969
  389    HA   LYS  54           HA       LYS  54 -11.699  -4.467   1.027
  390   1HB   LYS  54          1HB       LYS  54 -11.922  -1.772   2.429
  391   2HB   LYS  54          2HB       LYS  54 -12.942  -3.182   2.646
  392   1HG   LYS  54          1HG       LYS  54 -11.046  -4.485   3.512
  393   2HG   LYS  54          2HG       LYS  54  -9.970  -3.075   3.323
  394   1HD   LYS  54          1HD       LYS  54 -11.325  -1.749   4.846
  395   2HD   LYS  54          2HD       LYS  54 -12.581  -3.000   4.901
  396   1HE   LYS  54          1HE       LYS  54 -10.986  -4.565   5.999
  397   2HE   LYS  54          2HE       LYS  54  -9.752  -3.290   6.008
  398   1HZ   LYS  54          1HZ       LYS  54 -10.970  -3.457   8.096
  399   2HZ   LYS  54          2HZ       LYS  54 -11.200  -1.982   7.395
  400   3HZ   LYS  54          3HZ       LYS  54 -12.385  -3.123   7.336
  401    H    SER  55           H        SER  55 -11.732  -1.032   0.033
  402    HA   SER  55           HA       SER  55 -14.483  -1.187  -0.990
  403   1HB   SER  55          1HB       SER  55 -13.585   0.864   0.086
  404   2HB   SER  55          2HB       SER  55 -12.367   0.995  -1.204
  405    HG   SER  55           HG       SER  55 -14.110   1.103  -2.687
  406    H    ASN  56           H        ASN  56 -13.089  -3.185  -2.186
  407    HA   ASN  56           HA       ASN  56 -13.056  -2.639  -5.012
  408   1HB   ASN  56          1HB       ASN  56 -10.407  -2.878  -3.535
  409   2HB   ASN  56          2HB       ASN  56 -10.587  -3.462  -5.186
  410   1HD2  ASN  56          1HD2      ASN  56 -10.020  -0.596  -3.273
  411   2HD2  ASN  56          2HD2      ASN  56 -10.046   0.494  -4.648
  412    H    ASN  57           H        ASN  57 -11.668  -4.767  -2.429
  413    HA   ASN  57           HA       ASN  57 -12.980  -7.134  -3.621
  414   1HB   ASN  57          1HB       ASN  57 -10.893  -6.742  -4.912
  415   2HB   ASN  57          2HB       ASN  57  -9.947  -6.843  -3.423
  416   1HD2  ASN  57          1HD2      ASN  57  -9.251  -8.517  -5.446
  417   2HD2  ASN  57          2HD2      ASN  57  -9.782 -10.150  -5.093
  418    H    GLY  58           H        GLY  58 -10.380  -6.272  -1.299
  419   1HA   GLY  58          1HA       GLY  58 -10.476  -6.374   0.965
  420   2HA   GLY  58          2HA       GLY  58 -11.917  -7.377   0.947
  421    HA   PRO  59           HA       PRO  59  -8.059 -10.290   1.226
  422   1HB   PRO  59          1HB       PRO  59  -6.557  -9.715   3.389
  423   2HB   PRO  59          2HB       PRO  59  -6.277  -8.872   1.838
  424   1HG   PRO  59          1HG       PRO  59  -7.902  -7.890   4.205
  425   2HG   PRO  59          2HG       PRO  59  -6.618  -7.006   3.328
  426   1HD   PRO  59          1HD       PRO  59  -9.282  -6.695   2.794
  427   2HD   PRO  59          2HD       PRO  59  -8.055  -6.588   1.493
  428    H    THR  60           H        THR  60  -8.102 -12.059   2.648
  429    HA   THR  60           HA       THR  60 -10.322 -12.057   4.665
  430    HB   THR  60           HB       THR  60 -10.607 -14.435   3.834
  431    HG1  THR  60           HG1      THR  60  -9.373 -13.723   1.447
  432   1HG2  THR  60          1HG2      THR  60 -11.049 -12.229   1.757
  433   2HG2  THR  60          2HG2      THR  60 -11.854 -13.811   1.799
  434   3HG2  THR  60          3HG2      THR  60 -12.137 -12.637   3.097
  435    H    LYS  61           H        LYS  61  -7.667 -14.093   3.538
  436    HA   LYS  61           HA       LYS  61  -6.860 -14.679   6.390
  437   1HB   LYS  61          1HB       LYS  61  -6.493 -16.344   3.873
  438   2HB   LYS  61          2HB       LYS  61  -5.989 -16.796   5.506
  439   1HG   LYS  61          1HG       LYS  61  -8.861 -16.381   4.555
  440   2HG   LYS  61          2HG       LYS  61  -8.052 -17.920   4.866
  441   1HD   LYS  61          1HD       LYS  61  -7.702 -17.169   7.271
  442   2HD   LYS  61          2HD       LYS  61  -8.750 -15.773   6.920
  443   1HE   LYS  61          1HE       LYS  61 -10.591 -17.325   6.271
  444   2HE   LYS  61          2HE       LYS  61  -9.556 -18.710   6.656
  445   1HZ   LYS  61          1HZ       LYS  61 -11.035 -18.191   8.452
  446   2HZ   LYS  61          2HZ       LYS  61  -9.485 -17.943   8.933
  447   3HZ   LYS  61          3HZ       LYS  61 -10.453 -16.659   8.575
  448    H    CYS  62           H        CYS  62  -5.889 -12.446   5.955
  449    HA   CYS  62           HA       CYS  62  -4.159 -11.086   5.511
  450   1HB   CYS  62          1HB       CYS  62  -2.503 -13.575   6.069
  451   2HB   CYS  62          2HB       CYS  62  -1.919 -11.903   6.158
  452    H    GLY  63           H        GLY  63  -1.602 -12.714   4.266
  453   1HA   GLY  63          1HA       GLY  63  -0.949 -13.553   2.248
  454   2HA   GLY  63          2HA       GLY  63  -2.632 -13.543   1.708
  455    H    GLY  64           H        GLY  64  -3.380 -11.031   1.675
  456   1HA   GLY  64          1HA       GLY  64  -2.887 -10.306  -0.836
  457   2HA   GLY  64          2HA       GLY  64  -3.479  -9.190   0.404
  458    H    CYS  65           H        CYS  65  -0.328  -9.758   1.291
  459    HA   CYS  65           HA       CYS  65   0.863  -7.595  -0.284
  460   1HB   CYS  65          1HB       CYS  65   0.331  -7.221   2.652
  461   2HB   CYS  65          2HB       CYS  65   1.155  -6.067   1.591
  462    H    HIS  66           H        HIS  66   1.043  -9.460   2.793
  463    HA   HIS  66           HA       HIS  66   3.943  -9.574   2.754
  464   1HB   HIS  66          1HB       HIS  66   1.899 -11.193   4.333
  465   2HB   HIS  66          2HB       HIS  66   3.643 -11.204   4.597
  466    HD1  HIS  66           HND      HIS  66   4.539  -8.396   4.788
  467    HD2  HIS  66           HD       HIS  66   0.667  -9.520   5.992
  468    HE1  HIS  66           HE       HIS  66   3.642  -6.570   6.384
  469    H    ILE  67           H        ILE  67   5.204 -10.963   1.579
  470    HA   ILE  67           HA       ILE  67   3.891 -13.165   0.117
  471    HB   ILE  67           HB       ILE  67   6.783 -12.253   0.103
  472   1HG1  ILE  67          1HG1      ILE  67   5.463 -10.392  -0.664
  473   2HG1  ILE  67          2HG1      ILE  67   6.189 -11.174  -2.062
  474   1HG2  ILE  67          1HG2      ILE  67   6.811 -13.463  -2.092
  475   2HG2  ILE  67          2HG2      ILE  67   6.566 -14.537  -0.713
  476   3HG2  ILE  67          3HG2      ILE  67   5.191 -14.099  -1.737
  477   1HD1  ILE  67          1HD1      ILE  67   3.978 -12.337  -2.497
  478   2HD1  ILE  67          2HD1      ILE  67   3.277 -11.389  -1.163
  479   3HD1  ILE  67          3HD1      ILE  67   3.903 -10.577  -2.594
  480    H    LYS  68           H        LYS  68   3.197 -14.113   2.065
  481    HA   LYS  68           HA       LYS  68   5.067 -15.782   3.606
  482   1HB   LYS  68          1HB       LYS  68   2.049 -15.776   3.249
  483   2HB   LYS  68          2HB       LYS  68   2.962 -16.886   4.315
  484   1HG   LYS  68          1HG       LYS  68   3.659 -15.120   5.749
  485   2HG   LYS  68          2HG       LYS  68   3.091 -13.875   4.635
  486   1HD   LYS  68          1HD       LYS  68   1.606 -14.203   6.600
  487   2HD   LYS  68          2HD       LYS  68   0.777 -14.366   5.055
  488   1HE   LYS  68          1HE       LYS  68   1.810 -16.780   6.631
  489   2HE   LYS  68          2HE       LYS  68   0.225 -16.060   6.941
  490   1HZ   LYS  68          1HZ       LYS  68   0.044 -17.892   5.443
  491   2HZ   LYS  68          2HZ       LYS  68  -0.394 -16.507   4.672
  492   3HZ   LYS  68          3HZ       LYS  68   1.059 -17.204   4.360
  493    HHA  HEC  69           HCM      HEC  69   8.466   7.425  -1.603
  494    HHB  HEC  69           HDM      HEC  69   6.889  10.506  -6.866
  495    HHC  HEC  69           HAM      HEC  69   1.628   6.915  -7.462
  496    HHD  HEC  69           HBM      HEC  69   2.843   4.382  -1.738
  497   1HMA  HEC  69          HM81      HEC  69   8.683  11.882  -5.200
  498   2HMA  HEC  69          HM82      HEC  69  10.163  10.908  -5.076
  499   3HMA  HEC  69          HM83      HEC  69   9.153  10.766  -6.510
  500   1HAA  HEC  69          HP71      HEC  69  10.200  10.477  -2.855
  501   2HAA  HEC  69          HP72      HEC  69   9.687   9.272  -1.701
  502   1HBA  HEC  69          HP73      HEC  69  10.809   7.505  -2.991
  503   2HBA  HEC  69          HP74      HEC  69  11.262   8.686  -4.230
  504   1HMB  HEC  69          HM11      HEC  69   6.208  10.830  -8.858
  505   2HMB  HEC  69          HM12      HEC  69   5.139  10.158 -10.067
  506   3HMB  HEC  69          HM13      HEC  69   4.529  11.388  -8.929
  507    HAB  HEC  69          HT2A      HEC  69   1.623   8.325  -9.036
  508   1HBB  HEC  69          HT21      HEC  69   3.251   8.888 -10.933
  509   2HBB  HEC  69          HT22      HEC  69   1.619   9.551 -10.987
  510   3HBB  HEC  69          HT23      HEC  69   2.946  10.594 -10.496
  511   1HMC  HEC  69          HM31      HEC  69   0.111   5.129  -7.010
  512   2HMC  HEC  69          HM32      HEC  69  -0.838   4.838  -5.549
  513   3HMC  HEC  69          HM33      HEC  69  -0.538   6.496  -6.073
  514    HAC  HEC  69          HT4A      HEC  69   0.731   4.464  -1.982
  515   1HBC  HEC  69          HT41      HEC  69  -0.603   2.561  -2.530
  516   2HBC  HEC  69          HT42      HEC  69  -0.534   2.923  -4.250
  517   3HBC  HEC  69          HT43      HEC  69   0.931   2.382  -3.405
  518   1HMD  HEC  69          HM51      HEC  69   3.633   4.227   0.254
  519   2HMD  HEC  69          HM52      HEC  69   5.093   3.225   0.156
  520   3HMD  HEC  69          HM53      HEC  69   5.034   4.645   1.222
  521   1HAD  HEC  69          HP61      HEC  69   8.579   5.810  -0.225
  522   2HAD  HEC  69          HP62      HEC  69   7.434   6.269   1.032
  523   1HBD  HEC  69          HP63      HEC  69   6.992   3.851   1.393
  524   2HBD  HEC  69          HP64      HEC  69   8.139   3.476   0.082
  525    HHA  HEC  70           HCM      HEC  70  -3.471  -4.656  -6.664
  526    HHB  HEC  70           HDM      HEC  70   0.375  -4.203  -1.533
  527    HHC  HEC  70           HAM      HEC  70  -2.128   1.497  -0.219
  528    HHD  HEC  70           HBM      HEC  70  -6.341   0.755  -4.910
  529   1HMA  HEC  70          HM81      HEC  70   0.808  -6.698  -4.281
  530   2HMA  HEC  70          HM82      HEC  70   1.061  -5.896  -2.739
  531   3HMA  HEC  70          HM83      HEC  70  -0.179  -7.160  -2.898
  532   1HAA  HEC  70          HP71      HEC  70  -1.665  -6.020  -6.911
  533   2HAA  HEC  70          HP72      HEC  70  -0.625  -7.018  -5.924
  534   1HBA  HEC  70          HP73      HEC  70  -3.645  -6.997  -5.623
  535   2HBA  HEC  70          HP74      HEC  70  -2.767  -8.079  -6.707
  536   1HMB  HEC  70          HM11      HEC  70   1.497  -1.985   1.285
  537   2HMB  HEC  70          HM12      HEC  70   0.575  -3.470   0.983
  538   3HMB  HEC  70          HM13      HEC  70   1.859  -2.966  -0.142
  539    HAB  HEC  70          HT2A      HEC  70  -0.931   1.054   1.315
  540   1HBB  HEC  70          HT21      HEC  70   1.236   1.486   0.218
  541   2HBB  HEC  70          HT22      HEC  70   1.201   1.647   1.978
  542   3HBB  HEC  70          HT23      HEC  70   1.948   0.218   1.226
  543   1HMC  HEC  70          HM31      HEC  70  -4.548   4.186  -1.363
  544   2HMC  HEC  70          HM32      HEC  70  -4.244   3.083  -0.012
  545   3HMC  HEC  70          HM33      HEC  70  -2.895   3.683  -1.013
  546    HAC  HEC  70          HT4A      HEC  70  -7.107   2.170  -3.569
  547   1HBC  HEC  70          HT41      HEC  70  -6.258   3.837  -4.816
  548   2HBC  HEC  70          HT42      HEC  70  -7.090   4.707  -3.520
  549   3HBC  HEC  70          HT43      HEC  70  -5.313   4.562  -3.476
  550   1HMD  HEC  70          HM51      HEC  70  -7.837  -1.553  -7.111
  551   2HMD  HEC  70          HM52      HEC  70  -7.394   0.078  -6.588
  552   3HMD  HEC  70          HM53      HEC  70  -6.775  -0.549  -8.116
  553   1HAD  HEC  70          HP61      HEC  70  -5.628  -2.411  -8.908
  554   2HAD  HEC  70          HP62      HEC  70  -4.275  -3.470  -8.571
  555   1HBD  HEC  70          HP63      HEC  70  -5.776  -5.193  -7.723
  556   2HBD  HEC  70          HP64      HEC  70  -7.164  -4.100  -7.874
  557    HHA  HEC  71           HCM      HEC  71   3.900  -4.149   9.143
  558    HHB  HEC  71           HDM      HEC  71   0.766  -9.345  11.204
  559    HHC  HEC  71           HAM      HEC  71  -2.763  -9.315   5.879
  560    HHD  HEC  71           HBM      HEC  71   0.395  -4.230   3.822
  561   1HMA  HEC  71          HM81      HEC  71   2.421  -7.054  13.365
  562   2HMA  HEC  71          HM82      HEC  71   2.025  -8.688  12.832
  563   3HMA  HEC  71          HM83      HEC  71   3.712  -8.128  12.822
  564   1HAA  HEC  71          HP71      HEC  71   4.806  -4.722  11.042
  565   2HAA  HEC  71          HP72      HEC  71   4.518  -5.726  12.450
  566   1HBA  HEC  71          HP73      HEC  71   5.590  -7.629  11.389
  567   2HBA  HEC  71          HP74      HEC  71   5.698  -6.745   9.861
  568   1HMB  HEC  71          HM11      HEC  71  -1.539 -10.679  11.491
  569   2HMB  HEC  71          HM12      HEC  71  -1.789 -11.993  10.318
  570   3HMB  HEC  71          HM13      HEC  71  -0.150 -11.535  10.776
  571    HAB  HEC  71          HT2A      HEC  71  -3.899 -10.211   7.483
  572   1HBB  HEC  71          HT21      HEC  71  -5.244 -10.758   9.324
  573   2HBB  HEC  71          HT22      HEC  71  -3.850 -10.888  10.409
  574   3HBB  HEC  71          HT23      HEC  71  -4.276  -9.317   9.686
  575   1HMC  HEC  71          HM31      HEC  71  -2.996  -9.129   3.681
  576   2HMC  HEC  71          HM32      HEC  71  -4.167  -7.820   3.958
  577   3HMC  HEC  71          HM33      HEC  71  -3.124  -7.839   2.504
  578    HAC  HEC  71          HT4A      HEC  71  -1.367  -4.293   2.762
  579   1HBC  HEC  71          HT41      HEC  71  -3.907  -5.820   2.227
  580   2HBC  HEC  71          HT42      HEC  71  -3.729  -4.469   3.367
  581   3HBC  HEC  71          HT43      HEC  71  -3.420  -4.238   1.635
  582   1HMD  HEC  71          HM51      HEC  71   1.939  -1.528   4.503
  583   2HMD  HEC  71          HM52      HEC  71   3.508  -2.298   4.244
  584   3HMD  HEC  71          HM53      HEC  71   2.073  -2.940   3.459
  585   1HAD  HEC  71          HP61      HEC  71   3.922  -1.441   6.317
  586   2HAD  HEC  71          HP62      HEC  71   3.534  -1.731   7.998
  587   1HBD  HEC  71          HP63      HEC  71   5.921  -1.594   7.568
  588   2HBD  HEC  71          HP64      HEC  71   5.513  -3.164   8.232
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  10.650   5.944  -9.838
    2   2H    ALA   1          2H        ALA   1  11.127   6.046  -8.236
    3   3H    ALA   1          3H        ALA   1  11.112   4.595  -9.058
    4    HA   ALA   1           HA       ALA   1   9.250   4.690  -7.608
    5   1HB   ALA   1          1HB       ALA   1   8.406   7.050  -9.355
    6   2HB   ALA   1          2HB       ALA   1   7.392   6.231  -8.148
    7   3HB   ALA   1          3HB       ALA   1   8.835   7.120  -7.629
    8    H    ASP   2           H        ASP   2   8.326   2.815  -8.310
    9    HA   ASP   2           HA       ASP   2   7.806   2.100 -11.013
   10   1HB   ASP   2          1HB       ASP   2   9.874   0.694 -11.165
   11   2HB   ASP   2          2HB       ASP   2   9.937   2.411 -11.555
   12    H    VAL   3           H        VAL   3   9.697   0.275  -8.558
   13    HA   VAL   3           HA       VAL   3   7.268  -0.819  -7.312
   14    HB   VAL   3           HB       VAL   3   7.577  -2.337  -9.161
   15   1HG1  VAL   3          1HG1      VAL   3  10.426  -2.801  -8.181
   16   2HG1  VAL   3          2HG1      VAL   3   9.601  -3.670  -9.487
   17   3HG1  VAL   3          3HG1      VAL   3   9.969  -1.950  -9.672
   18   1HG2  VAL   3          1HG2      VAL   3   8.598  -3.661  -6.613
   19   2HG2  VAL   3          2HG2      VAL   3   6.899  -3.287  -6.967
   20   3HG2  VAL   3          3HG2      VAL   3   7.776  -4.440  -7.976
   21    H    VAL   4           H        VAL   4   7.551  -1.325  -5.167
   22    HA   VAL   4           HA       VAL   4  10.326  -1.290  -4.060
   23    HB   VAL   4           HB       VAL   4   7.981   0.378  -3.127
   24   1HG1  VAL   4          1HG1      VAL   4   9.514   1.133  -1.262
   25   2HG1  VAL   4          2HG1      VAL   4   9.063  -0.555  -1.079
   26   3HG1  VAL   4          3HG1      VAL   4  10.657  -0.137  -1.726
   27   1HG2  VAL   4          1HG2      VAL   4   9.306   1.446  -4.880
   28   2HG2  VAL   4          2HG2      VAL   4   9.570   2.248  -3.321
   29   3HG2  VAL   4          3HG2      VAL   4  10.797   1.129  -3.957
   30    H    THR   5           H        THR   5  10.357  -2.254  -1.883
   31    HA   THR   5           HA       THR   5   7.858  -3.397  -1.087
   32    HB   THR   5           HB       THR   5   8.966  -5.342  -2.216
   33    HG1  THR   5           HG1      THR   5   8.041  -5.261   0.116
   34   1HG2  THR   5          1HG2      THR   5  11.282  -4.972  -0.265
   35   2HG2  THR   5          2HG2      THR   5  11.063  -6.298  -1.416
   36   3HG2  THR   5          3HG2      THR   5  11.347  -4.654  -2.013
   37    H    TYR   6           H        TYR   6   7.478  -3.408   0.994
   38    HA   TYR   6           HA       TYR   6   9.428  -2.271   2.881
   39   1HB   TYR   6          1HB       TYR   6   6.822  -3.565   3.637
   40   2HB   TYR   6          2HB       TYR   6   7.781  -2.400   4.529
   41    HD1  TYR   6           HD1      TYR   6   5.264  -2.930   1.981
   42    HD2  TYR   6           HD2      TYR   6   7.922   0.035   3.576
   43    HE1  TYR   6           HE1      TYR   6   3.912  -1.182   0.921
   44    HE2  TYR   6           HE2      TYR   6   6.657   1.778   2.353
   45    HH   TYR   6           HH       TYR   6   4.217   1.023   0.109
   46    H    GLU   7           H        GLU   7  11.177  -3.735   3.038
   47    HA   GLU   7           HA       GLU   7  10.713  -6.580   3.216
   48   1HB   GLU   7          1HB       GLU   7  13.070  -6.725   3.801
   49   2HB   GLU   7          2HB       GLU   7  12.671  -6.106   2.196
   50   1HG   GLU   7          1HG       GLU   7  13.261  -3.832   2.814
   51   2HG   GLU   7          2HG       GLU   7  13.395  -4.270   4.529
   52    H    ASN   8           H        ASN   8   9.220  -6.561   4.770
   53    HA   ASN   8           HA       ASN   8   9.622  -5.769   7.543
   54   1HB   ASN   8          1HB       ASN   8   7.658  -7.800   6.454
   55   2HB   ASN   8          2HB       ASN   8   7.491  -6.858   7.931
   56   1HD2  ASN   8          1HD2      ASN   8   6.040  -7.147   5.129
   57   2HD2  ASN   8          2HD2      ASN   8   5.684  -5.455   4.769
   58    H    LYS   9           H        LYS   9   9.343  -7.413   9.359
   59    HA   LYS   9           HA       LYS   9  11.322  -9.539   8.870
   60   1HB   LYS   9          1HB       LYS   9  10.008  -8.617  11.470
   61   2HB   LYS   9          2HB       LYS   9  11.335  -9.759  11.312
   62   1HG   LYS   9          1HG       LYS   9  11.352  -6.776  10.719
   63   2HG   LYS   9          2HG       LYS   9  12.198  -7.607  12.019
   64   1HD   LYS   9          1HD       LYS   9  12.800  -7.767   9.029
   65   2HD   LYS   9          2HD       LYS   9  13.753  -6.955  10.270
   66   1HE   LYS   9          1HE       LYS   9  14.208  -9.151  11.378
   67   2HE   LYS   9          2HE       LYS   9  13.289  -9.981  10.115
   68   1HZ   LYS   9          1HZ       LYS   9  15.740  -8.421   9.674
   69   2HZ   LYS   9          2HZ       LYS   9  15.604 -10.060   9.653
   70   3HZ   LYS   9          3HZ       LYS   9  14.854  -9.160   8.499
   71    H    LYS  10           H        LYS  10   7.914  -8.991   9.855
   72    HA   LYS  10           HA       LYS  10   7.292 -11.793  10.104
   73   1HB   LYS  10          1HB       LYS  10   5.158 -11.307  10.334
   74   2HB   LYS  10          2HB       LYS  10   5.876  -9.767  10.722
   75   1HG   LYS  10          1HG       LYS  10   4.001  -9.279   9.474
   76   2HG   LYS  10          2HG       LYS  10   5.318  -8.985   8.363
   77   1HD   LYS  10          1HD       LYS  10   3.061 -10.189   7.693
   78   2HD   LYS  10          2HD       LYS  10   4.570 -10.617   6.914
   79   1HE   LYS  10          1HE       LYS  10   4.760 -12.656   8.305
   80   2HE   LYS  10          2HE       LYS  10   3.331 -12.214   9.203
   81   1HZ   LYS  10          1HZ       LYS  10   3.173 -13.830   7.123
   82   2HZ   LYS  10          2HZ       LYS  10   2.066 -12.597   7.178
   83   3HZ   LYS  10          3HZ       LYS  10   3.425 -12.572   6.253
   84    H    GLY  11           H        GLY  11   7.171  -9.711   7.195
   85   1HA   GLY  11          1HA       GLY  11   7.906 -11.716   5.359
   86   2HA   GLY  11          2HA       GLY  11   6.137 -11.734   5.458
   87    H    ASN  12           H        ASN  12   8.446 -10.621   3.594
   88    HA   ASN  12           HA       ASN  12   8.379  -7.835   3.439
   89   1HB   ASN  12          1HB       ASN  12   8.823  -9.897   1.252
   90   2HB   ASN  12          2HB       ASN  12   9.133  -8.168   1.082
   91   1HD2  ASN  12          1HD2      ASN  12  10.031  -9.042   4.332
   92   2HD2  ASN  12          2HD2      ASN  12  11.710  -9.281   3.951
   93    H    VAL  13           H        VAL  13   7.044  -6.348   2.466
   94    HA   VAL  13           HA       VAL  13   4.570  -7.341   1.050
   95    HB   VAL  13           HB       VAL  13   5.073  -4.910   2.779
   96   1HG1  VAL  13          1HG1      VAL  13   2.693  -4.298   2.174
   97   2HG1  VAL  13          2HG1      VAL  13   3.816  -4.096   0.823
   98   3HG1  VAL  13          3HG1      VAL  13   2.755  -5.513   0.881
   99   1HG2  VAL  13          1HG2      VAL  13   3.372  -5.741   4.161
  100   2HG2  VAL  13          2HG2      VAL  13   2.805  -6.898   2.940
  101   3HG2  VAL  13          3HG2      VAL  13   4.369  -7.149   3.733
  102    H    THR  14           H        THR  14   4.870  -7.146  -1.081
  103    HA   THR  14           HA       THR  14   6.674  -5.070  -2.169
  104    HB   THR  14           HB       THR  14   6.826  -7.417  -2.934
  105    HG1  THR  14           HG1      THR  14   6.069  -5.642  -5.002
  106   1HG2  THR  14          1HG2      THR  14   4.399  -8.009  -2.949
  107   2HG2  THR  14          2HG2      THR  14   4.152  -6.909  -4.319
  108   3HG2  THR  14          3HG2      THR  14   5.198  -8.327  -4.497
  109    H    PHE  15           H        PHE  15   5.949  -3.481  -3.683
  110    HA   PHE  15           HA       PHE  15   3.114  -3.396  -4.362
  111   1HB   PHE  15          1HB       PHE  15   2.741  -1.116  -3.610
  112   2HB   PHE  15          2HB       PHE  15   3.013  -2.210  -2.268
  113    HD1  PHE  15           HD1      PHE  15   5.430  -2.320  -1.268
  114    HD2  PHE  15           HD2      PHE  15   3.890   0.954  -3.635
  115    HE1  PHE  15           HE1      PHE  15   7.014  -0.779  -0.183
  116    HE2  PHE  15           HE2      PHE  15   5.437   2.504  -2.475
  117    HZ   PHE  15           HZ       PHE  15   6.980   1.621  -0.721
  118    H    ASP  16           H        ASP  16   3.032  -2.984  -6.434
  119    HA   ASP  16           HA       ASP  16   5.260  -1.761  -7.901
  120   1HB   ASP  16          1HB       ASP  16   2.641  -2.988  -8.676
  121   2HB   ASP  16          2HB       ASP  16   3.278  -1.633  -9.636
  122    H    HIS  17           H        HIS  17   5.622   0.261  -7.569
  123    HA   HIS  17           HA       HIS  17   3.899   2.190  -6.357
  124   1HB   HIS  17          1HB       HIS  17   6.582   1.841  -6.683
  125   2HB   HIS  17          2HB       HIS  17   6.283   2.908  -8.052
  126    HD1  HIS  17           HND      HIS  17   8.013   3.493  -5.376
  127    HD2  HIS  17           HD       HIS  17   4.165   4.872  -6.395
  128    HE1  HIS  17           HE       HIS  17   7.669   5.659  -4.136
  129    H    LYS  18           H        LYS  18   5.298   1.780  -9.592
  130    HA   LYS  18           HA       LYS  18   3.864   3.793 -10.998
  131   1HB   LYS  18          1HB       LYS  18   5.409   3.370 -12.419
  132   2HB   LYS  18          2HB       LYS  18   5.906   1.933 -11.558
  133   1HG   LYS  18          1HG       LYS  18   3.560   1.754 -13.415
  134   2HG   LYS  18          2HG       LYS  18   5.189   1.802 -14.008
  135   1HD   LYS  18          1HD       LYS  18   5.906  -0.152 -13.070
  136   2HD   LYS  18          2HD       LYS  18   4.787  -0.098 -11.727
  137   1HE   LYS  18          1HE       LYS  18   2.871  -0.602 -13.236
  138   2HE   LYS  18          2HE       LYS  18   3.926  -0.566 -14.649
  139   1HZ   LYS  18          1HZ       LYS  18   3.424  -2.795 -13.840
  140   2HZ   LYS  18          2HZ       LYS  18   5.047  -2.505 -13.769
  141   3HZ   LYS  18          3HZ       LYS  18   4.160  -2.481 -12.405
  142    H    ALA  19           H        ALA  19   3.141   0.276 -10.676
  143    HA   ALA  19           HA       ALA  19   0.723   0.285 -12.098
  144   1HB   ALA  19          1HB       ALA  19   1.140  -1.174  -9.510
  145   2HB   ALA  19          2HB       ALA  19  -0.054  -1.536 -10.760
  146   3HB   ALA  19          3HB       ALA  19   1.667  -1.765 -11.131
  147    H    HIS  20           H        HIS  20   1.182   0.965  -8.571
  148    HA   HIS  20           HA       HIS  20  -1.574   1.600  -8.128
  149   1HB   HIS  20          1HB       HIS  20   0.954   2.194  -6.566
  150   2HB   HIS  20          2HB       HIS  20  -0.635   2.762  -6.058
  151    HD1  HIS  20           HND      HIS  20   0.952  -0.656  -6.910
  152    HD2  HIS  20           HD       HIS  20  -2.059   1.142  -4.603
  153    HE1  HIS  20           HE       HIS  20  -0.185  -2.528  -5.579
  154    H    ALA  21           H        ALA  21   1.052   3.366  -9.568
  155    HA   ALA  21           HA       ALA  21  -0.252   5.987  -9.291
  156   1HB   ALA  21          1HB       ALA  21   2.217   5.670  -9.551
  157   2HB   ALA  21          2HB       ALA  21   1.950   5.224 -11.239
  158   3HB   ALA  21          3HB       ALA  21   1.459   6.828 -10.681
  159    H    GLU  22           H        GLU  22   0.213   3.749 -12.023
  160    HA   GLU  22           HA       GLU  22  -1.286   5.380 -13.850
  161   1HB   GLU  22          1HB       GLU  22  -0.781   3.688 -15.505
  162   2HB   GLU  22          2HB       GLU  22   0.633   4.009 -14.497
  163   1HG   GLU  22          1HG       GLU  22  -0.192   1.950 -13.114
  164   2HG   GLU  22          2HG       GLU  22  -1.168   1.564 -14.532
  165    H    LYS  23           H        LYS  23  -2.031   2.345 -12.096
  166    HA   LYS  23           HA       LYS  23  -4.610   1.906 -13.192
  167   1HB   LYS  23          1HB       LYS  23  -3.468   1.244 -10.441
  168   2HB   LYS  23          2HB       LYS  23  -4.905   0.513 -11.135
  169   1HG   LYS  23          1HG       LYS  23  -2.244   0.345 -12.623
  170   2HG   LYS  23          2HG       LYS  23  -2.532  -0.695 -11.240
  171   1HD   LYS  23          1HD       LYS  23  -4.551  -0.442 -13.463
  172   2HD   LYS  23          2HD       LYS  23  -3.123  -1.487 -13.641
  173   1HE   LYS  23          1HE       LYS  23  -3.707  -2.689 -11.518
  174   2HE   LYS  23          2HE       LYS  23  -5.170  -1.718 -11.349
  175   1HZ   LYS  23          1HZ       LYS  23  -6.042  -2.767 -13.295
  176   2HZ   LYS  23          2HZ       LYS  23  -4.628  -3.610 -13.537
  177   3HZ   LYS  23          3HZ       LYS  23  -5.519  -3.876 -12.190
  178    H    LEU  24           H        LEU  24  -3.490   3.715 -10.350
  179    HA   LEU  24           HA       LEU  24  -6.296   4.277  -9.563
  180   1HB   LEU  24          1HB       LEU  24  -3.951   4.917  -7.818
  181   2HB   LEU  24          2HB       LEU  24  -5.593   4.486  -7.383
  182    HG   LEU  24           HG       LEU  24  -3.561   2.554  -8.596
  183   1HD1  LEU  24          1HD1      LEU  24  -2.881   3.246  -6.337
  184   2HD1  LEU  24          2HD1      LEU  24  -4.440   2.741  -5.711
  185   3HD1  LEU  24          3HD1      LEU  24  -3.379   1.542  -6.440
  186   1HD2  LEU  24          1HD2      LEU  24  -6.281   1.989  -7.395
  187   2HD2  LEU  24          2HD2      LEU  24  -5.855   1.870  -9.109
  188   3HD2  LEU  24          3HD2      LEU  24  -5.075   0.798  -7.934
  189    H    GLY  25           H        GLY  25  -3.142   6.074  -9.931
  190   1HA   GLY  25          1HA       GLY  25  -3.694   8.107 -11.369
  191   2HA   GLY  25          2HA       GLY  25  -4.562   8.676  -9.926
  192    H    CYS  26           H        CYS  26  -3.392   8.774  -7.956
  193    HA   CYS  26           HA       CYS  26  -0.675   8.462  -7.410
  194   1HB   CYS  26          1HB       CYS  26  -0.530  10.375  -9.334
  195   2HB   CYS  26          2HB       CYS  26  -1.053  11.401  -8.025
  196    H    ASP  27           H        ASP  27  -3.300  10.604  -7.322
  197    HA   ASP  27           HA       ASP  27  -3.562  11.988  -4.945
  198   1HB   ASP  27          1HB       ASP  27  -5.969  11.674  -5.462
  199   2HB   ASP  27          2HB       ASP  27  -5.050  12.156  -6.890
  200    H    ALA  28           H        ALA  28  -4.320   8.690  -5.793
  201    HA   ALA  28           HA       ALA  28  -5.490   7.482  -3.716
  202   1HB   ALA  28          1HB       ALA  28  -4.749   6.291  -5.691
  203   2HB   ALA  28          2HB       ALA  28  -3.046   6.535  -5.263
  204   3HB   ALA  28          3HB       ALA  28  -4.059   5.464  -4.272
  205    H    CYS  29           H        CYS  29  -2.071   8.431  -3.745
  206    HA   CYS  29           HA       CYS  29  -1.891   7.920  -0.794
  207   1HB   CYS  29          1HB       CYS  29   0.275   7.363  -2.792
  208   2HB   CYS  29          2HB       CYS  29   0.248   6.965  -1.060
  209    H    HIS  30           H        HIS  30  -0.779   9.906  -3.581
  210    HA   HIS  30           HA       HIS  30   0.561  11.800  -1.654
  211   1HB   HIS  30          1HB       HIS  30   1.298  11.195  -4.501
  212   2HB   HIS  30          2HB       HIS  30   2.055  12.369  -3.453
  213    HD1  HIS  30           HND      HIS  30   3.669  11.175  -1.385
  214    HD2  HIS  30           HD       HIS  30   2.256   8.917  -4.629
  215    HE1  HIS  30           HE       HIS  30   5.308   9.227  -1.769
  216    H    GLU  31           H        GLU  31  -0.684  13.598  -1.571
  217    HA   GLU  31           HA       GLU  31  -2.595  14.239  -3.706
  218   1HB   GLU  31          1HB       GLU  31  -1.900  16.015  -1.289
  219   2HB   GLU  31          2HB       GLU  31  -3.324  16.027  -2.333
  220   1HG   GLU  31          1HG       GLU  31  -3.674  13.639  -1.596
  221   2HG   GLU  31          2HG       GLU  31  -2.481  13.907  -0.318
  222    H    GLY  32           H        GLY  32  -0.102  16.057  -2.139
  223   1HA   GLY  32          1HA       GLY  32   0.499  17.652  -4.634
  224   2HA   GLY  32          2HA       GLY  32   0.624  18.263  -2.982
  225    H    THR  33           H        THR  33   2.552  17.988  -1.890
  226    HA   THR  33           HA       THR  33   4.868  17.134  -3.329
  227    HB   THR  33           HB       THR  33   5.084  18.830  -1.705
  228    HG1  THR  33           HG1      THR  33   6.371  16.665  -0.485
  229   1HG2  THR  33          1HG2      THR  33   3.330  18.250  -0.042
  230   2HG2  THR  33          2HG2      THR  33   4.299  16.869   0.503
  231   3HG2  THR  33          3HG2      THR  33   4.905  18.516   0.706
  232    HA   PRO  34           HA       PRO  34   3.948  12.874  -2.421
  233   1HB   PRO  34          1HB       PRO  34   5.905  11.543  -3.760
  234   2HB   PRO  34          2HB       PRO  34   4.496  12.309  -4.541
  235   1HG   PRO  34          1HG       PRO  34   7.272  13.411  -4.240
  236   2HG   PRO  34          2HG       PRO  34   6.207  13.437  -5.682
  237   1HD   PRO  34          1HD       PRO  34   6.496  15.599  -3.983
  238   2HD   PRO  34          2HD       PRO  34   4.974  15.245  -4.851
  239    H    ALA  35           H        ALA  35   7.318  13.868  -2.234
  240    HA   ALA  35           HA       ALA  35   9.084  13.360  -0.885
  241   1HB   ALA  35          1HB       ALA  35   8.032  15.446  -0.214
  242   2HB   ALA  35          2HB       ALA  35   7.010  14.580   0.962
  243   3HB   ALA  35          3HB       ALA  35   8.773  14.653   1.178
  244    H    LYS  36           H        LYS  36   7.731  10.909  -1.046
  245    HA   LYS  36           HA       LYS  36   7.166   9.025  -0.184
  246   1HB   LYS  36          1HB       LYS  36   8.586   7.939   1.484
  247   2HB   LYS  36          2HB       LYS  36   9.423   8.501   0.058
  248   1HG   LYS  36          1HG       LYS  36  10.440  10.317   1.185
  249   2HG   LYS  36          2HG       LYS  36   9.507  10.034   2.676
  250   1HD   LYS  36          1HD       LYS  36  11.257   7.896   1.378
  251   2HD   LYS  36          2HD       LYS  36  11.934   9.068   2.511
  252   1HE   LYS  36          1HE       LYS  36  10.581   8.334   4.306
  253   2HE   LYS  36          2HE       LYS  36   9.481   7.416   3.305
  254   1HZ   LYS  36          1HZ       LYS  36  12.272   6.570   3.501
  255   2HZ   LYS  36          2HZ       LYS  36  11.029   5.969   4.424
  256   3HZ   LYS  36          3HZ       LYS  36  10.961   5.818   2.816
  257    H    ILE  37           H        ILE  37   6.206   7.725   1.343
  258    HA   ILE  37           HA       ILE  37   4.824   9.277   3.512
  259    HB   ILE  37           HB       ILE  37   3.526   6.824   2.514
  260   1HG1  ILE  37          1HG1      ILE  37   3.784   9.211   0.663
  261   2HG1  ILE  37          2HG1      ILE  37   4.408   7.569   0.392
  262   1HG2  ILE  37          1HG2      ILE  37   1.534   8.161   2.788
  263   2HG2  ILE  37          2HG2      ILE  37   2.586   8.457   4.171
  264   3HG2  ILE  37          3HG2      ILE  37   2.491   9.658   2.865
  265   1HD1  ILE  37          1HD1      ILE  37   2.082   6.695   0.463
  266   2HD1  ILE  37          2HD1      ILE  37   1.493   8.377   0.532
  267   3HD1  ILE  37          3HD1      ILE  37   2.408   7.820  -0.876
  268    H    ALA  38           H        ALA  38   6.970   6.761   2.870
  269    HA   ALA  38           HA       ALA  38   8.116   5.331   4.100
  270   1HB   ALA  38          1HB       ALA  38   8.211   5.470   6.491
  271   2HB   ALA  38          2HB       ALA  38   8.131   7.111   5.813
  272   3HB   ALA  38          3HB       ALA  38   6.696   6.384   6.572
  273    H    ILE  39           H        ILE  39   4.712   5.374   5.123
  274    HA   ILE  39           HA       ILE  39   3.323   3.825   5.892
  275    HB   ILE  39           HB       ILE  39   4.443   2.519   3.436
  276   1HG1  ILE  39          1HG1      ILE  39   3.344   4.771   3.284
  277   2HG1  ILE  39          2HG1      ILE  39   2.621   3.489   2.339
  278   1HG2  ILE  39          1HG2      ILE  39   2.026   1.704   5.080
  279   2HG2  ILE  39          2HG2      ILE  39   2.282   1.206   3.394
  280   3HG2  ILE  39          3HG2      ILE  39   3.417   0.697   4.630
  281   1HD1  ILE  39          1HD1      ILE  39   1.505   4.627   4.924
  282   2HD1  ILE  39          2HD1      ILE  39   0.893   4.878   3.287
  283   3HD1  ILE  39          3HD1      ILE  39   0.800   3.269   4.013
  284    H    ASP  40           H        ASP  40   3.571   3.077   7.761
  285    HA   ASP  40           HA       ASP  40   5.205   0.634   8.260
  286   1HB   ASP  40          1HB       ASP  40   5.337   1.155  10.560
  287   2HB   ASP  40          2HB       ASP  40   5.915   2.545   9.698
  288    H    LYS  41           H        LYS  41   4.135  -0.624   9.998
  289    HA   LYS  41           HA       LYS  41   1.680  -1.581   9.429
  290   1HB   LYS  41          1HB       LYS  41   1.610  -2.393  11.830
  291   2HB   LYS  41          2HB       LYS  41   2.953  -2.797  10.779
  292   1HG   LYS  41          1HG       LYS  41   4.337  -1.019  11.925
  293   2HG   LYS  41          2HG       LYS  41   3.051  -0.884  13.127
  294   1HD   LYS  41          1HD       LYS  41   3.599  -2.933  14.077
  295   2HD   LYS  41          2HD       LYS  41   3.896  -3.676  12.519
  296   1HE   LYS  41          1HE       LYS  41   6.099  -2.220  12.444
  297   2HE   LYS  41          2HE       LYS  41   5.818  -2.051  14.190
  298   1HZ   LYS  41          1HZ       LYS  41   6.437  -4.510  12.637
  299   2HZ   LYS  41          2HZ       LYS  41   7.251  -3.858  13.842
  300   3HZ   LYS  41          3HZ       LYS  41   5.815  -4.587  14.157
  301    H    LYS  42           H        LYS  42   2.237   1.008  11.752
  302    HA   LYS  42           HA       LYS  42  -0.430   1.448  12.639
  303   1HB   LYS  42          1HB       LYS  42   1.530   3.670  11.988
  304   2HB   LYS  42          2HB       LYS  42   0.125   3.776  13.035
  305   1HG   LYS  42          1HG       LYS  42   1.177   2.329  14.701
  306   2HG   LYS  42          2HG       LYS  42   2.525   2.022  13.588
  307   1HD   LYS  42          1HD       LYS  42   2.769   4.651  13.522
  308   2HD   LYS  42          2HD       LYS  42   1.754   4.645  14.964
  309   1HE   LYS  42          1HE       LYS  42   4.149   4.782  15.488
  310   2HE   LYS  42          2HE       LYS  42   3.483   3.275  16.141
  311   1HZ   LYS  42          1HZ       LYS  42   4.544   2.069  14.476
  312   2HZ   LYS  42          2HZ       LYS  42   4.691   3.308  13.456
  313   3HZ   LYS  42          3HZ       LYS  42   5.678   3.222  14.792
  314    H    SER  43           H        SER  43   1.293   2.953   9.841
  315    HA   SER  43           HA       SER  43  -1.037   4.327   8.905
  316   1HB   SER  43          1HB       SER  43   1.376   3.509   7.233
  317   2HB   SER  43          2HB       SER  43   0.300   4.900   7.019
  318    HG   SER  43           HG       SER  43   2.152   4.420   9.156
  319    H    ALA  44           H        ALA  44   0.658   1.595   7.469
  320    HA   ALA  44           HA       ALA  44  -0.795   0.773   5.357
  321   1HB   ALA  44          1HB       ALA  44   0.210  -1.381   5.690
  322   2HB   ALA  44          2HB       ALA  44   1.381  -0.118   6.149
  323   3HB   ALA  44          3HB       ALA  44   0.543  -1.033   7.399
  324    H    HIS  45           H        HIS  45  -1.211  -0.557   8.680
  325    HA   HIS  45           HA       HIS  45  -3.428  -2.194   7.794
  326   1HB   HIS  45          1HB       HIS  45  -2.125  -1.741  10.488
  327   2HB   HIS  45          2HB       HIS  45  -3.581  -2.683  10.286
  328    HD1  HIS  45           HND      HIS  45  -1.991  -4.524  11.443
  329    HD2  HIS  45           HD       HIS  45  -1.169  -3.526   7.429
  330    HE1  HIS  45           HE       HIS  45  -0.673  -6.457  10.454
  331    H    LYS  46           H        LYS  46  -3.183   1.078   8.983
  332    HA   LYS  46           HA       LYS  46  -5.858   0.993  10.279
  333   1HB   LYS  46          1HB       LYS  46  -4.060   2.132  11.404
  334   2HB   LYS  46          2HB       LYS  46  -3.825   3.187   9.997
  335   1HG   LYS  46          1HG       LYS  46  -6.611   3.270  10.855
  336   2HG   LYS  46          2HG       LYS  46  -5.537   3.563  12.245
  337   1HD   LYS  46          1HD       LYS  46  -4.261   5.232  10.904
  338   2HD   LYS  46          2HD       LYS  46  -5.369   4.963   9.557
  339   1HE   LYS  46          1HE       LYS  46  -6.073   6.151  12.292
  340   2HE   LYS  46          2HE       LYS  46  -5.897   7.040  10.770
  341   1HZ   LYS  46          1HZ       LYS  46  -7.744   5.675   9.893
  342   2HZ   LYS  46          2HZ       LYS  46  -7.973   5.028  11.347
  343   3HZ   LYS  46          3HZ       LYS  46  -8.198   6.648  11.138
  344    H    ASP  47           H        ASP  47  -4.243   3.125   7.847
  345    HA   ASP  47           HA       ASP  47  -6.448   2.882   6.037
  346   1HB   ASP  47          1HB       ASP  47  -6.202   5.488   7.589
  347   2HB   ASP  47          2HB       ASP  47  -6.939   5.356   6.010
  348    H    ALA  48           H        ALA  48  -4.389   2.065   5.226
  349    HA   ALA  48           HA       ALA  48  -3.806   4.071   3.195
  350   1HB   ALA  48          1HB       ALA  48  -1.797   4.393   4.433
  351   2HB   ALA  48          2HB       ALA  48  -1.544   2.666   4.668
  352   3HB   ALA  48          3HB       ALA  48  -1.384   3.375   3.040
  353    H    CYS  49           H        CYS  49  -2.243   0.911   3.668
  354    HA   CYS  49           HA       CYS  49  -3.250  -0.025   1.128
  355   1HB   CYS  49          1HB       CYS  49  -2.191  -1.805   3.281
  356   2HB   CYS  49          2HB       CYS  49  -2.022  -1.975   1.543
  357    H    LYS  50           H        LYS  50  -3.925  -0.898   4.527
  358    HA   LYS  50           HA       LYS  50  -5.872  -2.891   3.742
  359   1HB   LYS  50          1HB       LYS  50  -4.017  -2.667   5.629
  360   2HB   LYS  50          2HB       LYS  50  -5.359  -2.034   6.581
  361   1HG   LYS  50          1HG       LYS  50  -6.515  -4.184   6.406
  362   2HG   LYS  50          2HG       LYS  50  -5.360  -4.747   5.168
  363   1HD   LYS  50          1HD       LYS  50  -3.491  -4.403   6.799
  364   2HD   LYS  50          2HD       LYS  50  -4.696  -4.032   8.059
  365   1HE   LYS  50          1HE       LYS  50  -5.504  -6.310   8.006
  366   2HE   LYS  50          2HE       LYS  50  -4.563  -6.673   6.550
  367   1HZ   LYS  50          1HZ       LYS  50  -3.398  -5.963   9.166
  368   2HZ   LYS  50          2HZ       LYS  50  -3.464  -7.477   8.530
  369   3HZ   LYS  50          3HZ       LYS  50  -2.523  -6.337   7.837
  370    H    THR  51           H        THR  51  -6.692  -0.344   2.966
  371    HA   THR  51           HA       THR  51  -9.350  -0.300   4.155
  372    HB   THR  51           HB       THR  51  -7.907   1.406   5.414
  373    HG1  THR  51           HG1      THR  51  -9.591   2.729   5.641
  374   1HG2  THR  51          1HG2      THR  51  -6.808   2.573   3.499
  375   2HG2  THR  51          2HG2      THR  51  -8.413   3.090   2.902
  376   3HG2  THR  51          3HG2      THR  51  -7.817   3.682   4.431
  377    H    CYS  52           H        CYS  52  -7.119   1.354   1.894
  378    HA   CYS  52           HA       CYS  52  -8.962   1.908  -0.139
  379   1HB   CYS  52          1HB       CYS  52  -6.552   2.661   0.410
  380   2HB   CYS  52          2HB       CYS  52  -6.040   1.275  -0.552
  381    H    HIS  53           H        HIS  53  -6.890  -0.989   0.437
  382    HA   HIS  53           HA       HIS  53  -7.663  -2.374  -1.919
  383   1HB   HIS  53          1HB       HIS  53  -6.728  -3.295   0.810
  384   2HB   HIS  53          2HB       HIS  53  -7.264  -4.439  -0.432
  385    HD1  HIS  53           HND      HIS  53  -4.648  -5.342  -0.413
  386    HD2  HIS  53           HD       HIS  53  -5.448  -1.537  -2.032
  387    HE1  HIS  53           HE       HIS  53  -2.714  -4.733  -1.897
  388    H    LYS  54           H        LYS  54  -9.543  -1.849   1.067
  389    HA   LYS  54           HA       LYS  54 -11.210  -4.174   0.762
  390   1HB   LYS  54          1HB       LYS  54 -11.800  -1.560   2.182
  391   2HB   LYS  54          2HB       LYS  54 -12.746  -3.044   2.290
  392   1HG   LYS  54          1HG       LYS  54 -10.873  -4.281   3.233
  393   2HG   LYS  54          2HG       LYS  54  -9.797  -2.875   3.059
  394   1HD   LYS  54          1HD       LYS  54 -11.214  -1.561   4.566
  395   2HD   LYS  54          2HD       LYS  54 -12.339  -2.913   4.736
  396   1HE   LYS  54          1HE       LYS  54 -11.048  -4.012   6.251
  397   2HE   LYS  54          2HE       LYS  54  -9.551  -3.708   5.363
  398   1HZ   LYS  54          1HZ       LYS  54  -9.667  -2.656   7.563
  399   2HZ   LYS  54          2HZ       LYS  54  -9.293  -1.658   6.334
  400   3HZ   LYS  54          3HZ       LYS  54 -10.814  -1.613   6.999
  401    H    SER  55           H        SER  55 -11.182  -1.001  -0.798
  402    HA   SER  55           HA       SER  55 -13.836  -1.264  -1.949
  403   1HB   SER  55          1HB       SER  55 -11.502   0.501  -2.786
  404   2HB   SER  55          2HB       SER  55 -13.224   0.756  -3.123
  405    HG   SER  55           HG       SER  55 -13.457   0.819  -0.751
  406    H    ASN  56           H        ASN  56 -11.568  -3.466  -2.471
  407    HA   ASN  56           HA       ASN  56 -12.363  -4.027  -5.189
  408   1HB   ASN  56          1HB       ASN  56  -9.914  -3.955  -6.026
  409   2HB   ASN  56          2HB       ASN  56 -10.836  -2.457  -5.996
  410   1HD2  ASN  56          1HD2      ASN  56 -10.339  -0.838  -4.492
  411   2HD2  ASN  56          2HD2      ASN  56  -8.993  -0.893  -3.371
  412    H    ASN  57           H        ASN  57  -9.475  -4.640  -3.106
  413    HA   ASN  57           HA       ASN  57  -9.660  -7.526  -3.785
  414   1HB   ASN  57          1HB       ASN  57  -7.583  -6.140  -4.130
  415   2HB   ASN  57          2HB       ASN  57  -7.445  -5.987  -2.375
  416   1HD2  ASN  57          1HD2      ASN  57  -5.851  -7.361  -4.616
  417   2HD2  ASN  57          2HD2      ASN  57  -5.492  -8.957  -4.062
  418    H    GLY  58           H        GLY  58 -10.458  -8.930  -2.278
  419   1HA   GLY  58          1HA       GLY  58 -11.129  -7.933   0.462
  420   2HA   GLY  58          2HA       GLY  58 -11.891  -9.228  -0.437
  421    HA   PRO  59           HA       PRO  59  -7.893 -11.218   1.384
  422   1HB   PRO  59          1HB       PRO  59  -6.584  -9.932   3.404
  423   2HB   PRO  59          2HB       PRO  59  -6.209  -9.636   1.682
  424   1HG   PRO  59          1HG       PRO  59  -8.055  -8.006   3.460
  425   2HG   PRO  59          2HG       PRO  59  -6.707  -7.403   2.447
  426   1HD   PRO  59          1HD       PRO  59  -9.265  -7.359   1.570
  427   2HD   PRO  59          2HD       PRO  59  -7.925  -7.783   0.453
  428    H    THR  60           H        THR  60  -7.737 -12.305   3.603
  429    HA   THR  60           HA       THR  60  -9.924 -11.790   5.484
  430    HB   THR  60           HB       THR  60 -10.126 -13.857   3.295
  431    HG1  THR  60           HG1      THR  60 -11.272 -11.734   3.547
  432   1HG2  THR  60          1HG2      THR  60 -11.352 -14.159   6.066
  433   2HG2  THR  60          2HG2      THR  60 -11.949 -14.969   4.600
  434   3HG2  THR  60          3HG2      THR  60 -10.325 -15.326   5.188
  435    H    LYS  61           H        LYS  61  -7.582 -14.290   4.325
  436    HA   LYS  61           HA       LYS  61  -6.517 -14.360   7.135
  437   1HB   LYS  61          1HB       LYS  61  -6.404 -16.556   5.039
  438   2HB   LYS  61          2HB       LYS  61  -5.644 -16.588   6.636
  439   1HG   LYS  61          1HG       LYS  61  -8.632 -16.446   6.079
  440   2HG   LYS  61          2HG       LYS  61  -7.736 -17.887   6.562
  441   1HD   LYS  61          1HD       LYS  61  -7.110 -16.762   8.710
  442   2HD   LYS  61          2HD       LYS  61  -8.108 -15.364   8.249
  443   1HE   LYS  61          1HE       LYS  61 -10.113 -16.826   8.105
  444   2HE   LYS  61          2HE       LYS  61  -9.139 -18.208   8.637
  445   1HZ   LYS  61          1HZ       LYS  61 -10.346 -17.209  10.442
  446   2HZ   LYS  61          2HZ       LYS  61  -8.733 -17.035  10.700
  447   3HZ   LYS  61          3HZ       LYS  61  -9.632 -15.751  10.193
  448    H    CYS  62           H        CYS  62  -5.776 -12.289   6.246
  449    HA   CYS  62           HA       CYS  62  -4.161 -10.943   5.483
  450   1HB   CYS  62          1HB       CYS  62  -2.334 -13.321   5.953
  451   2HB   CYS  62          2HB       CYS  62  -1.906 -11.603   6.062
  452    H    GLY  63           H        GLY  63  -1.673 -12.364   4.109
  453   1HA   GLY  63          1HA       GLY  63  -1.105 -13.359   2.118
  454   2HA   GLY  63          2HA       GLY  63  -2.819 -13.588   1.751
  455    H    GLY  64           H        GLY  64  -3.755 -11.034   1.735
  456   1HA   GLY  64          1HA       GLY  64  -3.640 -10.208  -0.803
  457   2HA   GLY  64          2HA       GLY  64  -3.971  -9.110   0.549
  458    H    CYS  65           H        CYS  65  -1.022  -9.491   1.406
  459    HA   CYS  65           HA       CYS  65   0.171  -7.508  -0.473
  460   1HB   CYS  65          1HB       CYS  65  -0.111  -7.018   2.479
  461   2HB   CYS  65          2HB       CYS  65   0.466  -5.883   1.252
  462    H    HIS  66           H        HIS  66   0.598  -9.188   2.686
  463    HA   HIS  66           HA       HIS  66   3.482  -9.174   2.505
  464   1HB   HIS  66          1HB       HIS  66   1.645 -10.942   4.177
  465   2HB   HIS  66          2HB       HIS  66   3.390 -10.791   4.307
  466    HD1  HIS  66           HND      HIS  66   4.424  -8.614   5.386
  467    HD2  HIS  66           HD       HIS  66   0.225  -8.904   5.380
  468    HE1  HIS  66           HE       HIS  66   3.504  -6.839   7.028
  469    H    ILE  67           H        ILE  67   4.711 -10.471   1.229
  470    HA   ILE  67           HA       ILE  67   3.545 -12.867  -0.031
  471    HB   ILE  67           HB       ILE  67   6.402 -11.849  -0.118
  472   1HG1  ILE  67          1HG1      ILE  67   5.054 -10.040  -0.942
  473   2HG1  ILE  67          2HG1      ILE  67   5.794 -10.858  -2.309
  474   1HG2  ILE  67          1HG2      ILE  67   4.829 -13.773  -1.893
  475   2HG2  ILE  67          2HG2      ILE  67   6.450 -13.148  -2.251
  476   3HG2  ILE  67          3HG2      ILE  67   6.191 -14.175  -0.838
  477   1HD1  ILE  67          1HD1      ILE  67   3.619 -12.037  -2.754
  478   2HD1  ILE  67          2HD1      ILE  67   2.886 -11.128  -1.411
  479   3HD1  ILE  67          3HD1      ILE  67   3.492 -10.276  -2.832
  480    H    LYS  68           H        LYS  68   2.947 -13.628   2.061
  481    HA   LYS  68           HA       LYS  68   3.063 -15.606   3.227
  482   1HB   LYS  68          1HB       LYS  68   5.388 -16.171   2.291
  483   2HB   LYS  68          2HB       LYS  68   6.048 -15.254   3.657
  484   1HG   LYS  68          1HG       LYS  68   6.123 -17.559   4.188
  485   2HG   LYS  68          2HG       LYS  68   4.902 -16.815   5.228
  486   1HD   LYS  68          1HD       LYS  68   3.099 -17.714   3.823
  487   2HD   LYS  68          2HD       LYS  68   4.280 -18.294   2.624
  488   1HE   LYS  68          1HE       LYS  68   5.229 -19.844   4.339
  489   2HE   LYS  68          2HE       LYS  68   4.054 -19.248   5.525
  490   1HZ   LYS  68          1HZ       LYS  68   2.301 -20.099   4.118
  491   2HZ   LYS  68          2HZ       LYS  68   3.396 -20.654   3.019
  492   3HZ   LYS  68          3HZ       LYS  68   3.346 -21.299   4.528
  493    HHA  HEC  69           HCM      HEC  69   8.577   7.347  -1.623
  494    HHB  HEC  69           HDM      HEC  69   6.564  10.615  -6.652
  495    HHC  HEC  69           HAM      HEC  69   1.386   6.871  -7.007
  496    HHD  HEC  69           HBM      HEC  69   2.820   4.638  -1.170
  497   1HMA  HEC  69          HM81      HEC  69   8.847  10.690  -6.614
  498   2HMA  HEC  69          HM82      HEC  69   8.761  11.822  -5.242
  499   3HMA  HEC  69          HM83      HEC  69  10.099  10.660  -5.381
  500   1HAA  HEC  69          HP71      HEC  69  10.332  10.399  -3.153
  501   2HAA  HEC  69          HP72      HEC  69   9.661   9.531  -1.803
  502   1HBA  HEC  69          HP73      HEC  69  10.618   7.401  -2.743
  503   2HBA  HEC  69          HP74      HEC  69  11.334   8.358  -4.046
  504   1HMB  HEC  69          HM11      HEC  69   5.530  11.247  -8.372
  505   2HMB  HEC  69          HM12      HEC  69   4.697  10.367  -9.647
  506   3HMB  HEC  69          HM13      HEC  69   3.796  11.466  -8.568
  507    HAB  HEC  69          HT2A      HEC  69   1.236   8.273  -8.561
  508   1HBB  HEC  69          HT21      HEC  69   1.152   9.382 -10.565
  509   2HBB  HEC  69          HT22      HEC  69   2.412  10.537 -10.143
  510   3HBB  HEC  69          HT23      HEC  69   2.832   8.840 -10.490
  511   1HMC  HEC  69          HM31      HEC  69  -0.995   4.843  -5.008
  512   2HMC  HEC  69          HM32      HEC  69  -0.655   6.471  -5.580
  513   3HMC  HEC  69          HM33      HEC  69  -0.081   5.068  -6.500
  514    HAC  HEC  69          HT4A      HEC  69   0.774   4.240  -1.566
  515   1HBC  HEC  69          HT41      HEC  69  -1.015   3.108  -3.707
  516   2HBC  HEC  69          HT42      HEC  69   0.629   2.448  -3.490
  517   3HBC  HEC  69          HT43      HEC  69  -0.532   2.447  -2.156
  518   1HMD  HEC  69          HM51      HEC  69   4.377   5.072   1.316
  519   2HMD  HEC  69          HM52      HEC  69   4.149   3.656   0.278
  520   3HMD  HEC  69          HM53      HEC  69   5.676   3.880   1.132
  521   1HAD  HEC  69          HP61      HEC  69   8.574   6.234   0.123
  522   2HAD  HEC  69          HP62      HEC  69   7.423   5.667   1.302
  523   1HBD  HEC  69          HP63      HEC  69   7.789   3.369   0.547
  524   2HBD  HEC  69          HP64      HEC  69   8.799   3.962  -0.786
  525    HHA  HEC  70           HCM      HEC  70  -3.170  -5.189  -6.593
  526    HHB  HEC  70           HDM      HEC  70   0.791  -4.186  -1.615
  527    HHC  HEC  70           HAM      HEC  70  -2.135   1.386  -0.568
  528    HHD  HEC  70           HBM      HEC  70  -6.332   0.150  -5.133
  529   1HMA  HEC  70          HM81      HEC  70   1.479  -6.618  -4.078
  530   2HMA  HEC  70          HM82      HEC  70   1.191  -6.196  -2.385
  531   3HMA  HEC  70          HM83      HEC  70   0.231  -7.471  -3.141
  532   1HAA  HEC  70          HP71      HEC  70  -1.701  -6.953  -6.517
  533   2HAA  HEC  70          HP72      HEC  70  -0.681  -7.753  -5.333
  534   1HBA  HEC  70          HP73      HEC  70  -2.570  -7.799  -3.732
  535   2HBA  HEC  70          HP74      HEC  70  -3.612  -7.045  -4.939
  536   1HMB  HEC  70          HM11      HEC  70   2.092  -2.843  -0.188
  537   2HMB  HEC  70          HM12      HEC  70   1.615  -1.850   1.197
  538   3HMB  HEC  70          HM13      HEC  70   0.789  -3.391   0.902
  539    HAB  HEC  70          HT2A      HEC  70  -0.884   1.107   0.974
  540   1HBB  HEC  70          HT21      HEC  70   1.339   1.412  -0.149
  541   2HBB  HEC  70          HT22      HEC  70   1.201   1.865   1.552
  542   3HBB  HEC  70          HT23      HEC  70   2.011   0.351   1.104
  543   1HMC  HEC  70          HM31      HEC  70  -4.495   3.939  -2.018
  544   2HMC  HEC  70          HM32      HEC  70  -4.274   3.064  -0.484
  545   3HMC  HEC  70          HM33      HEC  70  -2.892   3.402  -1.540
  546    HAC  HEC  70          HT4A      HEC  70  -7.290   1.391  -3.426
  547   1HBC  HEC  70          HT41      HEC  70  -5.753   3.865  -4.290
  548   2HBC  HEC  70          HT42      HEC  70  -6.556   2.662  -5.338
  549   3HBC  HEC  70          HT43      HEC  70  -7.525   3.745  -4.347
  550   1HMD  HEC  70          HM51      HEC  70  -7.665  -1.262  -6.379
  551   2HMD  HEC  70          HM52      HEC  70  -6.725  -0.790  -7.814
  552   3HMD  HEC  70          HM53      HEC  70  -7.422  -2.414  -7.693
  553   1HAD  HEC  70          HP61      HEC  70  -5.217  -2.978  -8.938
  554   2HAD  HEC  70          HP62      HEC  70  -4.009  -4.176  -8.532
  555   1HBD  HEC  70          HP63      HEC  70  -5.653  -5.828  -8.054
  556   2HBD  HEC  70          HP64      HEC  70  -6.948  -4.629  -7.935
  557    HHA  HEC  71           HCM      HEC  71   3.806  -4.005   8.988
  558    HHB  HEC  71           HDM      HEC  71   1.001  -9.394  10.924
  559    HHC  HEC  71           HAM      HEC  71  -2.983  -9.093   5.944
  560    HHD  HEC  71           HBM      HEC  71   0.186  -4.053   3.745
  561   1HMA  HEC  71          HM81      HEC  71   4.237  -8.053  12.322
  562   2HMA  HEC  71          HM82      HEC  71   2.582  -7.964  12.962
  563   3HMA  HEC  71          HM83      HEC  71   3.064  -9.269  11.853
  564   1HAA  HEC  71          HP71      HEC  71   4.843  -4.640  10.807
  565   2HAA  HEC  71          HP72      HEC  71   4.827  -5.938  12.015
  566   1HBA  HEC  71          HP73      HEC  71   5.511  -7.441   9.990
  567   2HBA  HEC  71          HP74      HEC  71   5.909  -5.912   9.194
  568   1HMB  HEC  71          HM11      HEC  71  -1.208 -10.761  11.375
  569   2HMB  HEC  71          HM12      HEC  71  -1.608 -11.985  10.154
  570   3HMB  HEC  71          HM13      HEC  71   0.070 -11.527  10.405
  571    HAB  HEC  71          HT2A      HEC  71  -3.993 -10.171   7.553
  572   1HBB  HEC  71          HT21      HEC  71  -5.158 -10.935   9.476
  573   2HBB  HEC  71          HT22      HEC  71  -3.682 -10.962  10.450
  574   3HBB  HEC  71          HT23      HEC  71  -4.326  -9.420   9.854
  575   1HMC  HEC  71          HM31      HEC  71  -3.216  -8.800   3.580
  576   2HMC  HEC  71          HM32      HEC  71  -4.466  -7.800   4.349
  577   3HMC  HEC  71          HM33      HEC  71  -3.821  -7.369   2.753
  578    HAC  HEC  71          HT4A      HEC  71  -1.478  -4.238   2.547
  579   1HBC  HEC  71          HT41      HEC  71  -3.661  -3.785   3.491
  580   2HBC  HEC  71          HT42      HEC  71  -3.661  -3.852   1.721
  581   3HBC  HEC  71          HT43      HEC  71  -4.340  -5.196   2.656
  582   1HMD  HEC  71          HM51      HEC  71   3.399  -2.642   3.818
  583   2HMD  HEC  71          HM52      HEC  71   1.669  -2.554   3.444
  584   3HMD  HEC  71          HM53      HEC  71   2.398  -1.361   4.502
  585   1HAD  HEC  71          HP61      HEC  71   4.016  -1.411   6.188
  586   2HAD  HEC  71          HP62      HEC  71   3.496  -1.693   7.832
  587   1HBD  HEC  71          HP63      HEC  71   5.334  -3.740   7.429
  588   2HBD  HEC  71          HP64      HEC  71   5.995  -2.399   6.494
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  10.893   3.999 -10.325
    2   2H    ALA   1          2H        ALA   1  10.931   5.047  -9.020
    3   3H    ALA   1          3H        ALA   1  10.288   3.506  -8.971
    4    HA   ALA   1           HA       ALA   1   8.462   5.096  -9.064
    5   1HB   ALA   1          1HB       ALA   1   8.212   6.521 -11.060
    6   2HB   ALA   1          2HB       ALA   1   9.672   6.936 -10.143
    7   3HB   ALA   1          3HB       ALA   1   9.806   5.997 -11.646
    8    H    ASP   2           H        ASP   2   8.161   2.715  -9.057
    9    HA   ASP   2           HA       ASP   2   7.354   1.245 -11.429
   10   1HB   ASP   2          1HB       ASP   2   9.578  -0.119 -11.066
   11   2HB   ASP   2          2HB       ASP   2   9.483   1.285 -12.135
   12    H    VAL   3           H        VAL   3   9.299   0.523  -8.496
   13    HA   VAL   3           HA       VAL   3   7.034  -0.745  -7.123
   14    HB   VAL   3           HB       VAL   3   7.573  -2.444  -8.789
   15   1HG1  VAL   3          1HG1      VAL   3   9.729  -3.599  -8.830
   16   2HG1  VAL   3          2HG1      VAL   3   9.950  -1.890  -9.225
   17   3HG1  VAL   3          3HG1      VAL   3  10.386  -2.491  -7.612
   18   1HG2  VAL   3          1HG2      VAL   3   6.854  -3.163  -6.521
   19   2HG2  VAL   3          2HG2      VAL   3   7.879  -4.347  -7.338
   20   3HG2  VAL   3          3HG2      VAL   3   8.559  -3.339  -6.052
   21    H    VAL   4           H        VAL   4   7.431  -1.193  -4.921
   22    HA   VAL   4           HA       VAL   4  10.152  -0.581  -3.874
   23    HB   VAL   4           HB       VAL   4   7.491   0.440  -2.862
   24   1HG1  VAL   4          1HG1      VAL   4   8.820  -0.211  -0.892
   25   2HG1  VAL   4          2HG1      VAL   4  10.269   0.548  -1.578
   26   3HG1  VAL   4          3HG1      VAL   4   8.901   1.540  -1.051
   27   1HG2  VAL   4          1HG2      VAL   4   9.989   1.908  -3.771
   28   2HG2  VAL   4          2HG2      VAL   4   8.446   1.821  -4.651
   29   3HG2  VAL   4          3HG2      VAL   4   8.526   2.660  -3.094
   30    H    THR   5           H        THR   5  10.421  -1.646  -1.756
   31    HA   THR   5           HA       THR   5   8.150  -3.116  -0.896
   32    HB   THR   5           HB       THR   5   9.501  -4.930  -2.000
   33    HG1  THR   5           HG1      THR   5   8.478  -4.997   0.235
   34   1HG2  THR   5          1HG2      THR   5  11.771  -3.933  -1.806
   35   2HG2  THR   5          2HG2      THR   5  11.733  -4.204  -0.049
   36   3HG2  THR   5          3HG2      THR   5  11.703  -5.583  -1.159
   37    H    TYR   6           H        TYR   6   7.977  -3.228   1.300
   38    HA   TYR   6           HA       TYR   6   9.533  -1.207   2.734
   39   1HB   TYR   6          1HB       TYR   6   7.416  -3.110   3.689
   40   2HB   TYR   6          2HB       TYR   6   8.184  -1.890   4.701
   41    HD1  TYR   6           HD1      TYR   6   5.410  -2.538   2.665
   42    HD2  TYR   6           HD2      TYR   6   8.198   0.600   3.563
   43    HE1  TYR   6           HE1      TYR   6   3.829  -0.899   1.759
   44    HE2  TYR   6           HE2      TYR   6   6.675   2.225   2.484
   45    HH   TYR   6           HH       TYR   6   3.867   1.215   0.780
   46    H    GLU   7           H        GLU   7   9.154  -4.716   2.793
   47    HA   GLU   7           HA       GLU   7  10.423  -6.421   3.570
   48   1HB   GLU   7          1HB       GLU   7  12.390  -4.904   2.991
   49   2HB   GLU   7          2HB       GLU   7  12.438  -4.576   4.743
   50   1HG   GLU   7          1HG       GLU   7  12.821  -7.285   3.431
   51   2HG   GLU   7          2HG       GLU   7  14.106  -6.217   3.973
   52    H    ASN   8           H        ASN   8  10.518  -7.480   5.631
   53    HA   ASN   8           HA       ASN   8  10.037  -6.417   8.140
   54   1HB   ASN   8          1HB       ASN   8   7.650  -6.634   8.489
   55   2HB   ASN   8          2HB       ASN   8   7.915  -5.463   7.217
   56   1HD2  ASN   8          1HD2      ASN   8   6.743  -5.884   5.280
   57   2HD2  ASN   8          2HD2      ASN   8   6.304  -7.510   4.724
   58    H    LYS   9           H        LYS   9   8.823  -8.225   9.600
   59    HA   LYS   9           HA       LYS   9  10.384 -10.604   8.798
   60   1HB   LYS   9          1HB       LYS   9  10.793  -9.347  10.954
   61   2HB   LYS   9          2HB       LYS   9   9.205  -9.838  11.494
   62   1HG   LYS   9          1HG       LYS   9  10.999 -11.224  12.445
   63   2HG   LYS   9          2HG       LYS   9   9.851 -12.185  11.524
   64   1HD   LYS   9          1HD       LYS   9  12.164 -12.902  11.155
   65   2HD   LYS   9          2HD       LYS   9  11.400 -12.385   9.654
   66   1HE   LYS   9          1HE       LYS   9  12.568 -10.151   9.852
   67   2HE   LYS   9          2HE       LYS   9  13.309 -10.697  11.367
   68   1HZ   LYS   9          1HZ       LYS   9  14.430 -12.408  10.075
   69   2HZ   LYS   9          2HZ       LYS   9  13.724 -11.857   8.689
   70   3HZ   LYS   9          3HZ       LYS   9  14.776 -10.903   9.507
   71    H    LYS  10           H        LYS  10   7.169  -9.608   8.571
   72    HA   LYS  10           HA       LYS  10   5.942 -12.236   9.190
   73   1HB   LYS  10          1HB       LYS  10   4.741 -10.001   7.556
   74   2HB   LYS  10          2HB       LYS  10   3.903 -11.277   8.419
   75   1HG   LYS  10          1HG       LYS  10   5.403  -8.929   9.677
   76   2HG   LYS  10          2HG       LYS  10   3.704  -9.000   9.371
   77   1HD   LYS  10          1HD       LYS  10   3.830  -9.519  11.617
   78   2HD   LYS  10          2HD       LYS  10   3.509 -11.047  10.828
   79   1HE   LYS  10          1HE       LYS  10   5.040 -11.265  12.709
   80   2HE   LYS  10          2HE       LYS  10   5.863 -11.754  11.237
   81   1HZ   LYS  10          1HZ       LYS  10   6.935  -9.504  11.246
   82   2HZ   LYS  10          2HZ       LYS  10   6.179  -9.121  12.561
   83   3HZ   LYS  10          3HZ       LYS  10   7.266 -10.352  12.623
   84    H    GLY  11           H        GLY  11   6.759 -10.228   6.431
   85   1HA   GLY  11          1HA       GLY  11   7.617 -12.063   4.516
   86   2HA   GLY  11          2HA       GLY  11   5.842 -11.947   4.379
   87    H    ASN  12           H        ASN  12   8.659 -10.537   3.356
   88    HA   ASN  12           HA       ASN  12   8.631  -7.733   3.511
   89   1HB   ASN  12          1HB       ASN  12   9.278  -9.492   1.154
   90   2HB   ASN  12          2HB       ASN  12   9.676  -7.786   1.300
   91   1HD2  ASN  12          1HD2      ASN  12   9.933  -9.093   4.434
   92   2HD2  ASN  12          2HD2      ASN  12  11.660  -9.062   4.458
   93    H    VAL  13           H        VAL  13   7.038  -6.349   3.027
   94    HA   VAL  13           HA       VAL  13   4.831  -7.052   1.185
   95    HB   VAL  13           HB       VAL  13   5.438  -4.658   2.920
   96   1HG1  VAL  13          1HG1      VAL  13   3.101  -3.909   2.158
   97   2HG1  VAL  13          2HG1      VAL  13   4.381  -3.700   0.962
   98   3HG1  VAL  13          3HG1      VAL  13   3.253  -5.070   0.830
   99   1HG2  VAL  13          1HG2      VAL  13   3.117  -6.624   2.951
  100   2HG2  VAL  13          2HG2      VAL  13   4.541  -6.701   4.001
  101   3HG2  VAL  13          3HG2      VAL  13   3.447  -5.324   4.118
  102    H    THR  14           H        THR  14   5.572  -7.129  -0.847
  103    HA   THR  14           HA       THR  14   7.147  -4.908  -1.999
  104    HB   THR  14           HB       THR  14   7.582  -7.210  -2.766
  105    HG1  THR  14           HG1      THR  14   7.820  -5.344  -4.143
  106   1HG2  THR  14          1HG2      THR  14   4.773  -7.130  -3.964
  107   2HG2  THR  14          2HG2      THR  14   6.000  -8.378  -4.220
  108   3HG2  THR  14          3HG2      THR  14   5.280  -8.173  -2.618
  109    H    PHE  15           H        PHE  15   6.187  -3.397  -3.483
  110    HA   PHE  15           HA       PHE  15   3.356  -3.642  -4.076
  111   1HB   PHE  15          1HB       PHE  15   2.664  -1.519  -3.123
  112   2HB   PHE  15          2HB       PHE  15   3.166  -2.655  -1.889
  113    HD1  PHE  15           HD1      PHE  15   3.569   0.677  -3.153
  114    HD2  PHE  15           HD2      PHE  15   5.510  -2.430  -0.863
  115    HE1  PHE  15           HE1      PHE  15   4.908   2.386  -1.943
  116    HE2  PHE  15           HE2      PHE  15   6.878  -0.720   0.279
  117    HZ   PHE  15           HZ       PHE  15   6.550   1.665  -0.216
  118    H    ASP  16           H        ASP  16   3.310  -3.274  -6.166
  119    HA   ASP  16           HA       ASP  16   5.122  -1.870  -7.720
  120   1HB   ASP  16          1HB       ASP  16   2.157  -2.362  -8.111
  121   2HB   ASP  16          2HB       ASP  16   3.318  -1.871  -9.383
  122    H    HIS  17           H        HIS  17   5.514   0.243  -7.905
  123    HA   HIS  17           HA       HIS  17   3.905   2.286  -6.538
  124   1HB   HIS  17          1HB       HIS  17   6.607   1.967  -7.044
  125   2HB   HIS  17          2HB       HIS  17   6.156   3.015  -8.388
  126    HD1  HIS  17           HND      HIS  17   7.917   3.633  -5.640
  127    HD2  HIS  17           HD       HIS  17   4.068   4.923  -6.761
  128    HE1  HIS  17           HE       HIS  17   7.459   5.755  -4.357
  129    H    LYS  18           H        LYS  18   5.169   1.513  -9.766
  130    HA   LYS  18           HA       LYS  18   3.814   3.502 -11.225
  131   1HB   LYS  18          1HB       LYS  18   5.740   2.502 -12.115
  132   2HB   LYS  18          2HB       LYS  18   5.089   0.856 -12.015
  133   1HG   LYS  18          1HG       LYS  18   3.591   1.226 -13.836
  134   2HG   LYS  18          2HG       LYS  18   3.785   2.994 -13.732
  135   1HD   LYS  18          1HD       LYS  18   6.100   2.860 -14.462
  136   2HD   LYS  18          2HD       LYS  18   6.108   1.106 -14.291
  137   1HE   LYS  18          1HE       LYS  18   5.965   1.919 -16.686
  138   2HE   LYS  18          2HE       LYS  18   4.717   0.760 -16.203
  139   1HZ   LYS  18          1HZ       LYS  18   3.853   2.627 -17.474
  140   2HZ   LYS  18          2HZ       LYS  18   3.140   2.443 -16.041
  141   3HZ   LYS  18          3HZ       LYS  18   4.237   3.666 -16.250
  142    H    ALA  19           H        ALA  19   3.038  -0.020 -11.032
  143    HA   ALA  19           HA       ALA  19   0.668  -0.114 -12.378
  144   1HB   ALA  19          1HB       ALA  19   1.082  -1.322  -9.663
  145   2HB   ALA  19          2HB       ALA  19  -0.025  -1.925 -10.905
  146   3HB   ALA  19          3HB       ALA  19   1.738  -2.031 -11.172
  147    H    HIS  20           H        HIS  20   0.822   0.632  -8.823
  148    HA   HIS  20           HA       HIS  20  -1.968   1.190  -8.574
  149   1HB   HIS  20          1HB       HIS  20   0.508   2.013  -6.981
  150   2HB   HIS  20          2HB       HIS  20  -1.087   2.579  -6.550
  151    HD1  HIS  20           HND      HIS  20   0.952  -0.645  -6.554
  152    HD2  HIS  20           HD       HIS  20  -2.631   0.969  -5.086
  153    HE1  HIS  20           HE       HIS  20   0.009  -2.328  -4.900
  154    H    ALA  21           H        ALA  21   0.857   3.140  -9.486
  155    HA   ALA  21           HA       ALA  21  -0.471   5.692  -9.385
  156   1HB   ALA  21          1HB       ALA  21   1.904   4.983 -11.146
  157   2HB   ALA  21          2HB       ALA  21   1.376   6.579 -10.605
  158   3HB   ALA  21          3HB       ALA  21   1.999   5.397  -9.429
  159    H    GLU  22           H        GLU  22   0.046   3.516 -12.180
  160    HA   GLU  22           HA       GLU  22  -1.353   5.278 -14.040
  161   1HB   GLU  22          1HB       GLU  22  -1.547   2.824 -15.273
  162   2HB   GLU  22          2HB       GLU  22  -0.209   3.964 -15.469
  163   1HG   GLU  22          1HG       GLU  22   1.088   2.830 -13.819
  164   2HG   GLU  22          2HG       GLU  22  -0.249   1.734 -13.416
  165    H    LYS  23           H        LYS  23  -2.215   2.281 -12.298
  166    HA   LYS  23           HA       LYS  23  -4.822   2.112 -13.463
  167   1HB   LYS  23          1HB       LYS  23  -3.642   0.895 -10.941
  168   2HB   LYS  23          2HB       LYS  23  -5.351   0.764 -11.334
  169   1HG   LYS  23          1HG       LYS  23  -4.476  -1.172 -12.203
  170   2HG   LYS  23          2HG       LYS  23  -4.722  -0.135 -13.625
  171   1HD   LYS  23          1HD       LYS  23  -2.238   0.421 -13.501
  172   2HD   LYS  23          2HD       LYS  23  -2.154  -0.762 -12.165
  173   1HE   LYS  23          1HE       LYS  23  -2.989  -2.530 -13.717
  174   2HE   LYS  23          2HE       LYS  23  -2.977  -1.347 -15.040
  175   1HZ   LYS  23          1HZ       LYS  23  -0.978  -2.659 -15.017
  176   2HZ   LYS  23          2HZ       LYS  23  -0.610  -1.091 -14.700
  177   3HZ   LYS  23          3HZ       LYS  23  -0.638  -2.198 -13.474
  178    H    LEU  24           H        LEU  24  -3.680   3.754 -10.497
  179    HA   LEU  24           HA       LEU  24  -6.473   4.517  -9.861
  180   1HB   LEU  24          1HB       LEU  24  -4.001   4.913  -8.180
  181   2HB   LEU  24          2HB       LEU  24  -5.694   4.926  -7.678
  182    HG   LEU  24           HG       LEU  24  -4.375   2.408  -8.827
  183   1HD1  LEU  24          1HD1      LEU  24  -4.067   1.630  -6.602
  184   2HD1  LEU  24          2HD1      LEU  24  -3.132   3.119  -6.867
  185   3HD1  LEU  24          3HD1      LEU  24  -4.598   3.180  -5.912
  186   1HD2  LEU  24          1HD2      LEU  24  -6.885   2.854  -7.185
  187   2HD2  LEU  24          2HD2      LEU  24  -6.814   2.406  -8.907
  188   3HD2  LEU  24          3HD2      LEU  24  -6.197   1.292  -7.678
  189    H    GLY  25           H        GLY  25  -3.208   6.114 -10.276
  190   1HA   GLY  25          1HA       GLY  25  -3.608   8.093 -11.813
  191   2HA   GLY  25          2HA       GLY  25  -4.531   8.770 -10.454
  192    H    CYS  26           H        CYS  26  -3.466   8.882  -8.404
  193    HA   CYS  26           HA       CYS  26  -0.752   8.573  -7.773
  194   1HB   CYS  26          1HB       CYS  26  -0.624  10.494  -9.705
  195   2HB   CYS  26          2HB       CYS  26  -1.131  11.508  -8.380
  196    H    ASP  27           H        ASP  27  -3.395  10.704  -7.750
  197    HA   ASP  27           HA       ASP  27  -3.744  12.018  -5.341
  198   1HB   ASP  27          1HB       ASP  27  -6.137  11.701  -5.938
  199   2HB   ASP  27          2HB       ASP  27  -5.177  12.231  -7.322
  200    H    ALA  28           H        ALA  28  -4.525   8.740  -6.304
  201    HA   ALA  28           HA       ALA  28  -5.608   7.389  -4.323
  202   1HB   ALA  28          1HB       ALA  28  -4.070   5.480  -4.922
  203   2HB   ALA  28          2HB       ALA  28  -4.687   6.383  -6.327
  204   3HB   ALA  28          3HB       ALA  28  -3.030   6.643  -5.761
  205    H    CYS  29           H        CYS  29  -2.177   8.348  -4.216
  206    HA   CYS  29           HA       CYS  29  -2.090   7.764  -1.268
  207   1HB   CYS  29          1HB       CYS  29   0.079   7.255  -3.268
  208   2HB   CYS  29          2HB       CYS  29   0.089   6.823  -1.548
  209    H    HIS  30           H        HIS  30  -1.210  10.018  -3.876
  210    HA   HIS  30           HA       HIS  30   0.153  11.762  -1.871
  211   1HB   HIS  30          1HB       HIS  30   1.008  11.254  -4.742
  212   2HB   HIS  30          2HB       HIS  30   1.774  12.348  -3.604
  213    HD1  HIS  30           HND      HIS  30   3.231  11.115  -1.638
  214    HD2  HIS  30           HD       HIS  30   2.002   8.960  -4.991
  215    HE1  HIS  30           HE       HIS  30   4.966   9.196  -2.026
  216    H    GLU  31           H        GLU  31  -1.003  13.663  -1.820
  217    HA   GLU  31           HA       GLU  31  -2.017  14.771  -4.399
  218   1HB   GLU  31          1HB       GLU  31  -3.122  16.279  -2.404
  219   2HB   GLU  31          2HB       GLU  31  -3.870  15.114  -3.488
  220   1HG   GLU  31          1HG       GLU  31  -4.542  14.568  -1.427
  221   2HG   GLU  31          2HG       GLU  31  -3.422  13.281  -1.789
  222    H    GLY  32           H        GLY  32  -0.798  15.767  -1.189
  223   1HA   GLY  32          1HA       GLY  32   0.167  18.338  -2.202
  224   2HA   GLY  32          2HA       GLY  32   0.201  17.744  -0.537
  225    H    THR  33           H        THR  33   1.616  16.704  -3.635
  226    HA   THR  33           HA       THR  33   3.689  16.488  -4.391
  227    HB   THR  33           HB       THR  33   4.744  17.834  -1.881
  228    HG1  THR  33           HG1      THR  33   4.383  19.708  -3.006
  229   1HG2  THR  33          1HG2      THR  33   6.508  16.795  -3.268
  230   2HG2  THR  33          2HG2      THR  33   5.865  17.621  -4.706
  231   3HG2  THR  33          3HG2      THR  33   6.560  18.560  -3.371
  232    HA   PRO  34           HA       PRO  34   4.765  12.615  -2.196
  233   1HB   PRO  34          1HB       PRO  34   6.348  11.500  -4.019
  234   2HB   PRO  34          2HB       PRO  34   4.569  11.479  -4.185
  235   1HG   PRO  34          1HG       PRO  34   6.478  13.302  -5.590
  236   2HG   PRO  34          2HG       PRO  34   5.004  12.484  -6.214
  237   1HD   PRO  34          1HD       PRO  34   5.070  15.112  -5.412
  238   2HD   PRO  34          2HD       PRO  34   3.597  14.102  -5.271
  239    H    ALA  35           H        ALA  35   6.378  12.531  -0.682
  240    HA   ALA  35           HA       ALA  35   9.161  13.034  -1.400
  241   1HB   ALA  35          1HB       ALA  35   9.498  14.739   0.368
  242   2HB   ALA  35          2HB       ALA  35   8.419  15.335  -0.905
  243   3HB   ALA  35          3HB       ALA  35   7.744  14.801   0.648
  244    H    LYS  36           H        LYS  36   8.446  10.700  -0.971
  245    HA   LYS  36           HA       LYS  36   8.559   8.810   0.238
  246   1HB   LYS  36          1HB       LYS  36   9.834  10.556   2.387
  247   2HB   LYS  36          2HB       LYS  36   9.473   8.868   2.636
  248   1HG   LYS  36          1HG       LYS  36  10.960   9.585   0.119
  249   2HG   LYS  36          2HG       LYS  36  11.845   9.719   1.633
  250   1HD   LYS  36          1HD       LYS  36  10.244   7.234   0.941
  251   2HD   LYS  36          2HD       LYS  36  11.911   7.429   0.410
  252   1HE   LYS  36          1HE       LYS  36  12.814   7.310   2.506
  253   2HE   LYS  36          2HE       LYS  36  11.393   7.947   3.336
  254   1HZ   LYS  36          1HZ       LYS  36  11.724   5.543   3.744
  255   2HZ   LYS  36          2HZ       LYS  36  10.268   5.910   3.038
  256   3HZ   LYS  36          3HZ       LYS  36  11.359   5.237   2.147
  257    H    ILE  37           H        ILE  37   7.517   7.643   2.070
  258    HA   ILE  37           HA       ILE  37   5.496   9.215   3.540
  259    HB   ILE  37           HB       ILE  37   4.564   6.590   2.364
  260   1HG1  ILE  37          1HG1      ILE  37   4.289   9.333   1.100
  261   2HG1  ILE  37          2HG1      ILE  37   5.001   7.847   0.436
  262   1HG2  ILE  37          1HG2      ILE  37   3.056   9.010   3.440
  263   2HG2  ILE  37          2HG2      ILE  37   2.366   7.427   3.022
  264   3HG2  ILE  37          3HG2      ILE  37   3.451   7.570   4.398
  265   1HD1  ILE  37          1HD1      ILE  37   2.620   6.838   0.619
  266   2HD1  ILE  37          2HD1      ILE  37   2.063   8.485   0.967
  267   3HD1  ILE  37          3HD1      ILE  37   2.822   8.114  -0.580
  268    H    ALA  38           H        ALA  38   6.893   6.054   3.011
  269    HA   ALA  38           HA       ALA  38   7.615   4.393   4.374
  270   1HB   ALA  38          1HB       ALA  38   8.571   4.909   6.531
  271   2HB   ALA  38          2HB       ALA  38   9.043   6.155   5.352
  272   3HB   ALA  38          3HB       ALA  38   7.792   6.497   6.571
  273    H    ILE  39           H        ILE  39   5.326   3.753   3.924
  274    HA   ILE  39           HA       ILE  39   3.376   4.114   6.012
  275    HB   ILE  39           HB       ILE  39   3.293   2.022   3.838
  276   1HG1  ILE  39          1HG1      ILE  39   3.025   5.014   3.739
  277   2HG1  ILE  39          2HG1      ILE  39   3.603   3.862   2.563
  278   1HG2  ILE  39          1HG2      ILE  39   0.955   2.048   4.166
  279   2HG2  ILE  39          2HG2      ILE  39   1.695   1.907   5.760
  280   3HG2  ILE  39          3HG2      ILE  39   1.036   3.468   5.244
  281   1HD1  ILE  39          1HD1      ILE  39   0.713   4.519   3.263
  282   2HD1  ILE  39          2HD1      ILE  39   1.559   4.941   1.777
  283   3HD1  ILE  39          3HD1      ILE  39   1.178   3.247   2.108
  284    H    ASP  40           H        ASP  40   3.560   3.232   7.877
  285    HA   ASP  40           HA       ASP  40   5.361   0.937   8.457
  286   1HB   ASP  40          1HB       ASP  40   5.848   2.859   9.812
  287   2HB   ASP  40          2HB       ASP  40   4.119   3.180  10.088
  288    H    LYS  41           H        LYS  41   4.471  -0.357  10.301
  289    HA   LYS  41           HA       LYS  41   2.169  -1.875   9.695
  290   1HB   LYS  41          1HB       LYS  41   3.944  -2.484  11.281
  291   2HB   LYS  41          2HB       LYS  41   3.399  -1.285  12.443
  292   1HG   LYS  41          1HG       LYS  41   1.450  -3.342  11.378
  293   2HG   LYS  41          2HG       LYS  41   2.669  -3.836  12.571
  294   1HD   LYS  41          1HD       LYS  41   1.829  -2.462  14.276
  295   2HD   LYS  41          2HD       LYS  41   0.942  -1.420  13.178
  296   1HE   LYS  41          1HE       LYS  41  -0.587  -2.878  14.429
  297   2HE   LYS  41          2HE       LYS  41  -0.705  -3.095  12.679
  298   1HZ   LYS  41          1HZ       LYS  41  -0.695  -5.182  13.843
  299   2HZ   LYS  41          2HZ       LYS  41   0.617  -5.065  12.862
  300   3HZ   LYS  41          3HZ       LYS  41   0.783  -4.871  14.494
  301    H    LYS  42           H        LYS  42   2.534   1.015  11.848
  302    HA   LYS  42           HA       LYS  42  -0.151   1.101  12.752
  303   1HB   LYS  42          1HB       LYS  42   1.876   3.330  12.282
  304   2HB   LYS  42          2HB       LYS  42   0.298   3.566  13.044
  305   1HG   LYS  42          1HG       LYS  42   0.819   1.932  14.779
  306   2HG   LYS  42          2HG       LYS  42   2.424   1.639  14.114
  307   1HD   LYS  42          1HD       LYS  42   1.644   4.494  14.808
  308   2HD   LYS  42          2HD       LYS  42   1.911   3.365  16.131
  309   1HE   LYS  42          1HE       LYS  42   3.962   4.614  15.654
  310   2HE   LYS  42          2HE       LYS  42   4.172   2.872  15.421
  311   1HZ   LYS  42          1HZ       LYS  42   5.179   4.088  13.641
  312   2HZ   LYS  42          2HZ       LYS  42   3.947   3.187  13.083
  313   3HZ   LYS  42          3HZ       LYS  42   3.751   4.811  13.235
  314    H    SER  43           H        SER  43   1.195   3.257  10.161
  315    HA   SER  43           HA       SER  43  -1.195   4.208   9.238
  316   1HB   SER  43          1HB       SER  43   1.230   3.653   7.501
  317   2HB   SER  43          2HB       SER  43   0.105   5.027   7.417
  318    HG   SER  43           HG       SER  43   2.026   5.611   8.511
  319    H    ALA  44           H        ALA  44   0.653   1.485   7.873
  320    HA   ALA  44           HA       ALA  44  -0.881   0.667   5.729
  321   1HB   ALA  44          1HB       ALA  44   0.245  -1.445   6.016
  322   2HB   ALA  44          2HB       ALA  44   1.397  -0.134   6.419
  323   3HB   ALA  44          3HB       ALA  44   0.635  -1.068   7.711
  324    H    HIS  45           H        HIS  45  -1.148  -0.459   9.126
  325    HA   HIS  45           HA       HIS  45  -3.671  -1.880   8.486
  326   1HB   HIS  45          1HB       HIS  45  -1.771  -1.930  10.847
  327   2HB   HIS  45          2HB       HIS  45  -3.361  -2.654  10.882
  328    HD1  HIS  45           HND      HIS  45  -3.827  -4.817   9.704
  329    HD2  HIS  45           HD       HIS  45   0.030  -3.284   8.980
  330    HE1  HIS  45           HE       HIS  45  -2.534  -6.630   8.520
  331    H    LYS  46           H        LYS  46  -3.471   1.124   8.477
  332    HA   LYS  46           HA       LYS  46  -5.826   1.576  10.254
  333   1HB   LYS  46          1HB       LYS  46  -3.846   2.225  11.474
  334   2HB   LYS  46          2HB       LYS  46  -3.325   3.264  10.152
  335   1HG   LYS  46          1HG       LYS  46  -6.046   3.927  11.067
  336   2HG   LYS  46          2HG       LYS  46  -4.877   3.918  12.411
  337   1HD   LYS  46          1HD       LYS  46  -3.320   5.317  10.979
  338   2HD   LYS  46          2HD       LYS  46  -4.629   5.436   9.803
  339   1HE   LYS  46          1HE       LYS  46  -4.624   6.481  12.692
  340   2HE   LYS  46          2HE       LYS  46  -4.468   7.454  11.221
  341   1HZ   LYS  46          1HZ       LYS  46  -6.855   5.910  11.981
  342   2HZ   LYS  46          2HZ       LYS  46  -6.707   7.557  11.982
  343   3HZ   LYS  46          3HZ       LYS  46  -6.661   6.702  10.577
  344    H    ASP  47           H        ASP  47  -3.817   3.602   8.087
  345    HA   ASP  47           HA       ASP  47  -6.133   4.019   6.300
  346   1HB   ASP  47          1HB       ASP  47  -4.862   6.314   7.783
  347   2HB   ASP  47          2HB       ASP  47  -5.766   6.458   6.280
  348    H    ALA  48           H        ALA  48  -4.589   2.485   5.334
  349    HA   ALA  48           HA       ALA  48  -3.454   3.920   3.150
  350   1HB   ALA  48          1HB       ALA  48  -1.144   2.832   3.283
  351   2HB   ALA  48          2HB       ALA  48  -1.446   4.200   4.367
  352   3HB   ALA  48          3HB       ALA  48  -1.477   2.566   5.016
  353    H    CYS  49           H        CYS  49  -2.283   0.697   4.150
  354    HA   CYS  49           HA       CYS  49  -3.266  -0.259   1.588
  355   1HB   CYS  49          1HB       CYS  49  -2.040  -1.995   3.643
  356   2HB   CYS  49          2HB       CYS  49  -1.975  -2.148   1.897
  357    H    LYS  50           H        LYS  50  -3.923  -1.261   5.036
  358    HA   LYS  50           HA       LYS  50  -6.232  -2.888   4.145
  359   1HB   LYS  50          1HB       LYS  50  -5.225  -2.155   6.901
  360   2HB   LYS  50          2HB       LYS  50  -6.590  -3.224   6.608
  361   1HG   LYS  50          1HG       LYS  50  -3.808  -3.809   5.552
  362   2HG   LYS  50          2HG       LYS  50  -4.320  -4.297   7.145
  363   1HD   LYS  50          1HD       LYS  50  -5.880  -5.147   4.670
  364   2HD   LYS  50          2HD       LYS  50  -4.480  -6.033   5.282
  365   1HE   LYS  50          1HE       LYS  50  -5.591  -6.368   7.473
  366   2HE   LYS  50          2HE       LYS  50  -7.022  -5.511   6.882
  367   1HZ   LYS  50          1HZ       LYS  50  -7.224  -7.316   5.183
  368   2HZ   LYS  50          2HZ       LYS  50  -6.014  -8.143   5.933
  369   3HZ   LYS  50          3HZ       LYS  50  -7.401  -7.831   6.702
  370    H    THR  51           H        THR  51  -6.578  -0.487   3.124
  371    HA   THR  51           HA       THR  51  -8.798   0.761   4.641
  372    HB   THR  51           HB       THR  51  -6.634   2.444   3.367
  373    HG1  THR  51           HG1      THR  51  -6.837   1.958   6.147
  374   1HG2  THR  51          1HG2      THR  51  -8.913   3.428   3.762
  375   2HG2  THR  51          2HG2      THR  51  -8.702   3.117   5.499
  376   3HG2  THR  51          3HG2      THR  51  -7.619   4.231   4.647
  377    H    CYS  52           H        CYS  52  -6.862   1.175   1.611
  378    HA   CYS  52           HA       CYS  52  -9.129   1.578  -0.062
  379   1HB   CYS  52          1HB       CYS  52  -6.250   0.788  -0.432
  380   2HB   CYS  52          2HB       CYS  52  -7.387   0.456  -1.739
  381    H    HIS  53           H        HIS  53  -7.095  -1.365   0.323
  382    HA   HIS  53           HA       HIS  53  -8.367  -2.725  -1.701
  383   1HB   HIS  53          1HB       HIS  53  -7.009  -3.910   0.734
  384   2HB   HIS  53          2HB       HIS  53  -7.424  -4.790  -0.740
  385    HD1  HIS  53           HND      HIS  53  -4.641  -5.122  -0.050
  386    HD2  HIS  53           HD       HIS  53  -5.939  -1.837  -2.363
  387    HE1  HIS  53           HE       HIS  53  -2.659  -4.276  -1.369
  388    H    LYS  54           H        LYS  54  -9.674  -2.300   1.484
  389    HA   LYS  54           HA       LYS  54 -11.394  -4.611   1.645
  390   1HB   LYS  54          1HB       LYS  54 -11.608  -1.784   2.758
  391   2HB   LYS  54          2HB       LYS  54 -12.746  -3.081   3.142
  392   1HG   LYS  54          1HG       LYS  54 -11.349  -4.057   4.629
  393   2HG   LYS  54          2HG       LYS  54 -10.013  -4.040   3.485
  394   1HD   LYS  54          1HD       LYS  54  -9.234  -2.784   5.261
  395   2HD   LYS  54          2HD       LYS  54  -9.661  -1.590   4.019
  396   1HE   LYS  54          1HE       LYS  54 -11.862  -1.228   5.278
  397   2HE   LYS  54          2HE       LYS  54 -11.262  -2.351   6.511
  398   1HZ   LYS  54          1HZ       LYS  54 -10.670  -0.306   7.337
  399   2HZ   LYS  54          2HZ       LYS  54  -9.266  -0.733   6.564
  400   3HZ   LYS  54          3HZ       LYS  54 -10.309   0.327   5.871
  401    H    SER  55           H        SER  55 -11.654  -1.421   0.017
  402    HA   SER  55           HA       SER  55 -14.390  -1.955  -0.902
  403   1HB   SER  55          1HB       SER  55 -12.394   0.218  -1.646
  404   2HB   SER  55          2HB       SER  55 -14.135   0.213  -1.991
  405    HG   SER  55           HG       SER  55 -13.522   1.405  -0.061
  406    H    ASN  56           H        ASN  56 -12.826  -4.123  -1.675
  407    HA   ASN  56           HA       ASN  56 -13.027  -4.182  -4.528
  408   1HB   ASN  56          1HB       ASN  56 -10.307  -3.697  -3.258
  409   2HB   ASN  56          2HB       ASN  56 -10.410  -4.843  -4.586
  410   1HD2  ASN  56          1HD2      ASN  56  -9.802  -1.626  -3.973
  411   2HD2  ASN  56          2HD2      ASN  56 -10.193  -1.021  -5.575
  412    H    ASN  57           H        ASN  57 -12.242  -6.353  -5.277
  413    HA   ASN  57           HA       ASN  57 -12.533  -8.487  -3.233
  414   1HB   ASN  57          1HB       ASN  57 -12.044  -8.468  -6.239
  415   2HB   ASN  57          2HB       ASN  57 -11.845  -9.924  -5.262
  416   1HD2  ASN  57          1HD2      ASN  57 -13.711 -10.853  -4.146
  417   2HD2  ASN  57          2HD2      ASN  57 -15.321 -10.457  -4.720
  418    H    GLY  58           H        GLY  58 -10.709  -9.457  -2.254
  419   1HA   GLY  58          1HA       GLY  58  -8.065  -9.414  -3.176
  420   2HA   GLY  58          2HA       GLY  58  -8.357  -7.901  -2.288
  421    HA   PRO  59           HA       PRO  59  -7.192 -11.320   0.679
  422   1HB   PRO  59          1HB       PRO  59  -5.547  -9.919   2.328
  423   2HB   PRO  59          2HB       PRO  59  -5.047 -10.497   0.712
  424   1HG   PRO  59          1HG       PRO  59  -6.115  -7.735   1.428
  425   2HG   PRO  59          2HG       PRO  59  -4.601  -8.084   0.553
  426   1HD   PRO  59          1HD       PRO  59  -6.857  -7.488  -0.763
  427   2HD   PRO  59          2HD       PRO  59  -5.794  -8.782  -1.396
  428    H    THR  60           H        THR  60  -8.370 -11.897   2.392
  429    HA   THR  60           HA       THR  60 -10.348 -10.088   3.534
  430    HB   THR  60           HB       THR  60 -10.797 -12.333   4.768
  431    HG1  THR  60           HG1      THR  60  -9.635 -14.041   3.348
  432   1HG2  THR  60          1HG2      THR  60 -12.035 -11.709   2.701
  433   2HG2  THR  60          2HG2      THR  60 -10.744 -12.414   1.707
  434   3HG2  THR  60          3HG2      THR  60 -11.719 -13.450   2.769
  435    H    LYS  61           H        LYS  61  -8.078 -12.368   4.898
  436    HA   LYS  61           HA       LYS  61  -7.507 -10.604   7.233
  437   1HB   LYS  61          1HB       LYS  61  -6.941 -13.560   6.763
  438   2HB   LYS  61          2HB       LYS  61  -6.534 -12.640   8.229
  439   1HG   LYS  61          1HG       LYS  61  -8.939 -12.070   8.526
  440   2HG   LYS  61          2HG       LYS  61  -9.341 -13.001   7.071
  441   1HD   LYS  61          1HD       LYS  61  -8.477 -15.060   8.125
  442   2HD   LYS  61          2HD       LYS  61  -8.077 -14.143   9.595
  443   1HE   LYS  61          1HE       LYS  61 -10.477 -13.530   9.876
  444   2HE   LYS  61          2HE       LYS  61 -10.888 -14.407   8.394
  445   1HZ   LYS  61          1HZ       LYS  61 -10.185 -16.435   9.464
  446   2HZ   LYS  61          2HZ       LYS  61  -9.793 -15.625  10.844
  447   3HZ   LYS  61          3HZ       LYS  61 -11.355 -15.692  10.343
  448    H    CYS  62           H        CYS  62  -5.282 -12.937   5.700
  449    HA   CYS  62           HA       CYS  62  -3.343 -10.741   5.328
  450   1HB   CYS  62          1HB       CYS  62  -2.461 -13.397   6.370
  451   2HB   CYS  62          2HB       CYS  62  -1.652 -11.822   6.483
  452    H    GLY  63           H        GLY  63  -1.169 -12.322   4.549
  453   1HA   GLY  63          1HA       GLY  63  -0.353 -13.649   2.841
  454   2HA   GLY  63          2HA       GLY  63  -1.998 -13.967   2.265
  455    H    GLY  64           H        GLY  64  -3.054 -11.639   1.778
  456   1HA   GLY  64          1HA       GLY  64  -2.777 -10.752  -0.648
  457   2HA   GLY  64          2HA       GLY  64  -2.981  -9.595   0.687
  458    H    CYS  65           H        CYS  65  -0.885  -9.066   1.841
  459    HA   CYS  65           HA       CYS  65   0.808  -7.799  -0.249
  460   1HB   CYS  65          1HB       CYS  65   0.418  -7.021   2.622
  461   2HB   CYS  65          2HB       CYS  65   1.007  -6.005   1.299
  462    H    HIS  66           H        HIS  66   0.999  -9.326   2.997
  463    HA   HIS  66           HA       HIS  66   3.900  -9.395   2.948
  464   1HB   HIS  66          1HB       HIS  66   1.928 -10.920   4.706
  465   2HB   HIS  66          2HB       HIS  66   3.668 -10.853   4.923
  466    HD1  HIS  66           HND      HIS  66   4.702  -8.398   5.663
  467    HD2  HIS  66           HD       HIS  66   0.531  -8.949   5.817
  468    HE1  HIS  66           HE       HIS  66   3.700  -6.549   7.172
  469    H    ILE  67           H        ILE  67   4.379 -10.439   0.964
  470    HA   ILE  67           HA       ILE  67   3.592 -13.042   0.174
  471    HB   ILE  67           HB       ILE  67   6.367 -11.797  -0.045
  472   1HG1  ILE  67          1HG1      ILE  67   4.845 -10.215  -1.007
  473   2HG1  ILE  67          2HG1      ILE  67   5.689 -11.058  -2.298
  474   1HG2  ILE  67          1HG2      ILE  67   6.433 -14.171  -0.550
  475   2HG2  ILE  67          2HG2      ILE  67   5.028 -14.038  -1.618
  476   3HG2  ILE  67          3HG2      ILE  67   6.564 -13.262  -2.058
  477   1HD1  ILE  67          1HD1      ILE  67   3.661 -12.499  -2.655
  478   2HD1  ILE  67          2HD1      ILE  67   2.814 -11.559  -1.399
  479   3HD1  ILE  67          3HD1      ILE  67   3.353 -10.770  -2.886
  480    H    LYS  68           H        LYS  68   3.380 -14.596   1.708
  481    HA   LYS  68           HA       LYS  68   5.154 -14.650   3.932
  482   1HB   LYS  68          1HB       LYS  68   2.680 -15.041   4.060
  483   2HB   LYS  68          2HB       LYS  68   2.895 -16.568   3.190
  484   1HG   LYS  68          1HG       LYS  68   2.654 -16.881   5.640
  485   2HG   LYS  68          2HG       LYS  68   4.209 -17.491   5.039
  486   1HD   LYS  68          1HD       LYS  68   5.378 -15.525   5.802
  487   2HD   LYS  68          2HD       LYS  68   3.853 -14.698   6.207
  488   1HE   LYS  68          1HE       LYS  68   3.544 -16.478   8.015
  489   2HE   LYS  68          2HE       LYS  68   5.126 -17.133   7.534
  490   1HZ   LYS  68          1HZ       LYS  68   4.533 -14.543   8.754
  491   2HZ   LYS  68          2HZ       LYS  68   5.639 -15.671   9.241
  492   3HZ   LYS  68          3HZ       LYS  68   5.895 -14.733   7.888
  493    HHA  HEC  69           HCM      HEC  69   8.167   7.412  -1.696
  494    HHB  HEC  69           HDM      HEC  69   6.524  10.551  -6.953
  495    HHC  HEC  69           HAM      HEC  69   1.235   6.929  -7.437
  496    HHD  HEC  69           HBM      HEC  69   2.562   4.512  -1.690
  497   1HMA  HEC  69          HM81      HEC  69   8.834  10.625  -6.773
  498   2HMA  HEC  69          HM82      HEC  69   8.551  11.793  -5.453
  499   3HMA  HEC  69          HM83      HEC  69   9.955  10.706  -5.417
  500   1HAA  HEC  69          HP71      HEC  69  10.110  10.296  -3.163
  501   2HAA  HEC  69          HP72      HEC  69   9.644   9.056  -2.016
  502   1HBA  HEC  69          HP73      HEC  69  10.521   7.302  -3.462
  503   2HBA  HEC  69          HP74      HEC  69  10.902   8.490  -4.717
  504   1HMB  HEC  69          HM11      HEC  69   5.574  11.141  -8.751
  505   2HMB  HEC  69          HM12      HEC  69   4.666  10.308 -10.003
  506   3HMB  HEC  69          HM13      HEC  69   3.856  11.494  -8.943
  507    HAB  HEC  69          HT2A      HEC  69   1.129   8.383  -8.941
  508   1HBB  HEC  69          HT21      HEC  69   2.418  10.586 -10.519
  509   2HBB  HEC  69          HT22      HEC  69   2.731   8.863 -10.859
  510   3HBB  HEC  69          HT23      HEC  69   1.089   9.510 -10.940
  511   1HMC  HEC  69          HM31      HEC  69  -0.136   4.779  -6.986
  512   2HMC  HEC  69          HM32      HEC  69  -1.148   4.753  -5.530
  513   3HMC  HEC  69          HM33      HEC  69  -0.772   6.290  -6.302
  514    HAC  HEC  69          HT4A      HEC  69   0.552   4.186  -2.053
  515   1HBC  HEC  69          HT41      HEC  69  -0.832   2.387  -2.658
  516   2HBC  HEC  69          HT42      HEC  69  -0.919   2.893  -4.341
  517   3HBC  HEC  69          HT43      HEC  69   0.605   2.262  -3.688
  518   1HMD  HEC  69          HM51      HEC  69   3.902   3.472  -0.224
  519   2HMD  HEC  69          HM52      HEC  69   5.207   3.995   0.850
  520   3HMD  HEC  69          HM53      HEC  69   3.704   4.940   0.736
  521   1HAD  HEC  69          HP61      HEC  69   7.804   6.671   0.206
  522   2HAD  HEC  69          HP62      HEC  69   6.598   5.843   1.128
  523   1HBD  HEC  69          HP63      HEC  69   7.502   3.667   0.464
  524   2HBD  HEC  69          HP64      HEC  69   8.601   4.462  -0.689
  525    HHA  HEC  70           HCM      HEC  70  -3.245  -4.979  -6.614
  526    HHB  HEC  70           HDM      HEC  70   0.622  -4.282  -1.562
  527    HHC  HEC  70           HAM      HEC  70  -2.222   1.257  -0.211
  528    HHD  HEC  70           HBM      HEC  70  -6.288   0.432  -5.033
  529   1HMA  HEC  70          HM81      HEC  70   0.315  -6.911  -2.400
  530   2HMA  HEC  70          HM82      HEC  70   0.787  -7.168  -4.088
  531   3HMA  HEC  70          HM83      HEC  70   1.546  -5.869  -3.163
  532   1HAA  HEC  70          HP71      HEC  70  -1.336  -7.767  -4.917
  533   2HAA  HEC  70          HP72      HEC  70  -2.528  -7.025  -5.962
  534   1HBA  HEC  70          HP73      HEC  70  -0.808  -6.330  -7.531
  535   2HBA  HEC  70          HP74      HEC  70   0.472  -6.861  -6.429
  536   1HMB  HEC  70          HM11      HEC  70   1.944  -3.051  -0.072
  537   2HMB  HEC  70          HM12      HEC  70   1.524  -2.081   1.338
  538   3HMB  HEC  70          HM13      HEC  70   0.654  -3.591   1.022
  539    HAB  HEC  70          HT2A      HEC  70  -0.795   1.008   1.221
  540   1HBB  HEC  70          HT21      HEC  70   1.258   1.540   0.307
  541   2HBB  HEC  70          HT22      HEC  70   1.650   1.070   1.978
  542   3HBB  HEC  70          HT23      HEC  70   1.961  -0.040   0.633
  543   1HMC  HEC  70          HM31      HEC  70  -4.549   3.949  -1.562
  544   2HMC  HEC  70          HM32      HEC  70  -4.373   2.929  -0.119
  545   3HMC  HEC  70          HM33      HEC  70  -2.946   3.388  -1.086
  546    HAC  HEC  70          HT4A      HEC  70  -7.194   1.759  -3.552
  547   1HBC  HEC  70          HT41      HEC  70  -6.460   3.405  -4.965
  548   2HBC  HEC  70          HT42      HEC  70  -7.299   4.291  -3.703
  549   3HBC  HEC  70          HT43      HEC  70  -5.526   4.258  -3.694
  550   1HMD  HEC  70          HM51      HEC  70  -7.712  -2.082  -7.187
  551   2HMD  HEC  70          HM52      HEC  70  -7.381  -0.435  -6.638
  552   3HMD  HEC  70          HM53      HEC  70  -6.666  -1.022  -8.152
  553   1HAD  HEC  70          HP61      HEC  70  -4.998  -4.691  -8.085
  554   2HAD  HEC  70          HP62      HEC  70  -6.066  -3.407  -8.622
  555   1HBD  HEC  70          HP63      HEC  70  -4.045  -1.991  -9.115
  556   2HBD  HEC  70          HP64      HEC  70  -3.032  -3.394  -8.748
  557    HHA  HEC  71           HCM      HEC  71   3.951  -3.799   9.024
  558    HHB  HEC  71           HDM      HEC  71   0.925  -8.936  11.363
  559    HHC  HEC  71           HAM      HEC  71  -2.732  -9.022   6.124
  560    HHD  HEC  71           HBM      HEC  71   0.369  -4.049   3.791
  561   1HMA  HEC  71          HM81      HEC  71   3.748  -7.743  12.886
  562   2HMA  HEC  71          HM82      HEC  71   2.767  -6.400  13.412
  563   3HMA  HEC  71          HM83      HEC  71   1.990  -7.950  13.048
  564   1HAA  HEC  71          HP71      HEC  71   4.876  -4.293  10.943
  565   2HAA  HEC  71          HP72      HEC  71   4.873  -5.435  12.260
  566   1HBA  HEC  71          HP73      HEC  71   5.547  -6.430   9.507
  567   2HBA  HEC  71          HP74      HEC  71   6.695  -5.305  10.243
  568   1HMB  HEC  71          HM11      HEC  71   0.066 -11.161  10.922
  569   2HMB  HEC  71          HM12      HEC  71  -1.344 -10.386  11.690
  570   3HMB  HEC  71          HM13      HEC  71  -1.563 -11.687  10.494
  571    HAB  HEC  71          HT2A      HEC  71  -3.797  -9.933   7.720
  572   1HBB  HEC  71          HT21      HEC  71  -3.683 -10.607  10.649
  573   2HBB  HEC  71          HT22      HEC  71  -4.125  -9.031   9.955
  574   3HBB  HEC  71          HT23      HEC  71  -5.109 -10.465   9.609
  575   1HMC  HEC  71          HM31      HEC  71  -3.223  -7.760   2.688
  576   2HMC  HEC  71          HM32      HEC  71  -2.602  -9.063   3.708
  577   3HMC  HEC  71          HM33      HEC  71  -4.004  -8.128   4.242
  578    HAC  HEC  71          HT4A      HEC  71  -1.219  -4.386   2.525
  579   1HBC  HEC  71          HT41      HEC  71  -3.965  -5.626   2.420
  580   2HBC  HEC  71          HT42      HEC  71  -3.529  -4.175   3.343
  581   3HBC  HEC  71          HT43      HEC  71  -3.353  -4.174   1.595
  582   1HMD  HEC  71          HM51      HEC  71   3.418  -2.487   3.883
  583   2HMD  HEC  71          HM52      HEC  71   1.686  -2.426   3.536
  584   3HMD  HEC  71          HM53      HEC  71   2.414  -1.207   4.578
  585   1HAD  HEC  71          HP61      HEC  71   4.325  -1.552   5.889
  586   2HAD  HEC  71          HP62      HEC  71   3.965  -1.434   7.592
  587   1HBD  HEC  71          HP63      HEC  71   6.345  -2.098   6.666
  588   2HBD  HEC  71          HP64      HEC  71   5.731  -2.779   8.162
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1   9.552  -1.951 -10.327
    2   2H    ALA   1          2H        ALA   1  11.075  -2.272  -9.771
    3   3H    ALA   1          3H        ALA   1   9.884  -1.905  -8.689
    4    HA   ALA   1           HA       ALA   1  11.229   0.016  -8.903
    5   1HB   ALA   1          1HB       ALA   1  11.457   1.102 -11.160
    6   2HB   ALA   1          2HB       ALA   1  12.290  -0.460 -11.037
    7   3HB   ALA   1          3HB       ALA   1  10.753  -0.348 -11.904
    8    H    ASP   2           H        ASP   2   8.811  -0.256 -11.373
    9    HA   ASP   2           HA       ASP   2   6.549   1.170 -10.529
   10   1HB   ASP   2          1HB       ASP   2   5.560  -0.655 -11.998
   11   2HB   ASP   2          2HB       ASP   2   6.970   0.073 -12.767
   12    H    VAL   3           H        VAL   3   8.155  -0.938  -8.531
   13    HA   VAL   3           HA       VAL   3   6.007  -1.715  -6.968
   14    HB   VAL   3           HB       VAL   3   5.693  -3.494  -8.686
   15   1HG1  VAL   3          1HG1      VAL   3   7.974  -3.562  -9.643
   16   2HG1  VAL   3          2HG1      VAL   3   8.583  -4.320  -8.154
   17   3HG1  VAL   3          3HG1      VAL   3   7.407  -5.162  -9.174
   18   1HG2  VAL   3          1HG2      VAL   3   5.292  -4.153  -6.351
   19   2HG2  VAL   3          2HG2      VAL   3   5.930  -5.499  -7.292
   20   3HG2  VAL   3          3HG2      VAL   3   6.992  -4.634  -6.170
   21    H    VAL   4           H        VAL   4   6.857  -2.252  -4.948
   22    HA   VAL   4           HA       VAL   4   9.802  -2.345  -4.547
   23    HB   VAL   4           HB       VAL   4   7.854  -0.321  -3.427
   24   1HG1  VAL   4          1HG1      VAL   4   9.763   0.513  -2.022
   25   2HG1  VAL   4          2HG1      VAL   4   9.218  -1.074  -1.506
   26   3HG1  VAL   4          3HG1      VAL   4  10.697  -0.924  -2.473
   27   1HG2  VAL   4          1HG2      VAL   4   8.860   0.367  -5.535
   28   2HG2  VAL   4          2HG2      VAL   4   9.526   1.316  -4.203
   29   3HG2  VAL   4          3HG2      VAL   4  10.484  -0.007  -4.902
   30    H    THR   5           H        THR   5  10.256  -3.005  -2.274
   31    HA   THR   5           HA       THR   5   7.898  -3.727  -0.803
   32    HB   THR   5           HB       THR   5   8.692  -5.950  -1.545
   33    HG1  THR   5           HG1      THR   5   7.946  -5.411   0.559
   34   1HG2  THR   5          1HG2      THR   5  11.353  -5.265  -0.191
   35   2HG2  THR   5          2HG2      THR   5  10.879  -6.845  -0.835
   36   3HG2  THR   5          3HG2      THR   5  11.100  -5.474  -1.936
   37    H    TYR   6           H        TYR   6   7.940  -3.356   1.282
   38    HA   TYR   6           HA       TYR   6   9.916  -1.617   2.451
   39   1HB   TYR   6          1HB       TYR   6   7.709  -3.251   3.717
   40   2HB   TYR   6          2HB       TYR   6   8.549  -1.905   4.481
   41    HD1  TYR   6           HD1      TYR   6   5.467  -2.609   3.464
   42    HD2  TYR   6           HD2      TYR   6   8.542   0.251   2.515
   43    HE1  TYR   6           HE1      TYR   6   3.874  -1.332   2.021
   44    HE2  TYR   6           HE2      TYR   6   6.894   1.585   1.275
   45    HH   TYR   6           HH       TYR   6   4.671   0.912  -0.035
   46    H    GLU   7           H        GLU   7   9.791  -5.056   2.021
   47    HA   GLU   7           HA       GLU   7  10.521  -6.817   3.234
   48   1HB   GLU   7          1HB       GLU   7  12.982  -6.904   3.305
   49   2HB   GLU   7          2HB       GLU   7  12.182  -6.672   1.750
   50   1HG   GLU   7          1HG       GLU   7  12.749  -4.262   1.771
   51   2HG   GLU   7          2HG       GLU   7  13.533  -4.461   3.351
   52    H    ASN   8           H        ASN   8   9.396  -6.583   5.025
   53    HA   ASN   8           HA       ASN   8  10.447  -5.199   7.400
   54   1HB   ASN   8          1HB       ASN   8   7.886  -6.801   7.409
   55   2HB   ASN   8          2HB       ASN   8   8.294  -5.308   8.266
   56   1HD2  ASN   8          1HD2      ASN   8   6.912  -6.687   5.349
   57   2HD2  ASN   8          2HD2      ASN   8   6.565  -5.114   4.625
   58    H    LYS   9           H        LYS   9   9.711  -6.632   9.603
   59    HA   LYS   9           HA       LYS   9  11.518  -8.953   9.426
   60   1HB   LYS   9          1HB       LYS   9  11.559  -7.300  11.382
   61   2HB   LYS   9          2HB       LYS   9   9.960  -7.891  11.813
   62   1HG   LYS   9          1HG       LYS   9  11.423  -9.103  13.207
   63   2HG   LYS   9          2HG       LYS   9  10.915 -10.227  11.968
   64   1HD   LYS   9          1HD       LYS   9  13.263 -10.568  12.329
   65   2HD   LYS   9          2HD       LYS   9  13.051  -9.892  10.728
   66   1HE   LYS   9          1HE       LYS   9  14.982  -8.893  11.839
   67   2HE   LYS   9          2HE       LYS   9  13.769  -7.657  11.520
   68   1HZ   LYS   9          1HZ       LYS   9  14.197  -8.999  14.114
   69   2HZ   LYS   9          2HZ       LYS   9  14.702  -7.484  13.723
   70   3HZ   LYS   9          3HZ       LYS   9  13.095  -7.808  13.817
   71    H    LYS  10           H        LYS  10   8.122  -8.066   9.961
   72    HA   LYS  10           HA       LYS  10   6.966 -10.592  10.383
   73   1HB   LYS  10          1HB       LYS  10   5.680  -8.615  10.479
   74   2HB   LYS  10          2HB       LYS  10   6.047  -8.194   8.784
   75   1HG   LYS  10          1HG       LYS  10   3.715  -8.792   9.251
   76   2HG   LYS  10          2HG       LYS  10   4.487  -9.673   7.941
   77   1HD   LYS  10          1HD       LYS  10   3.079 -11.166   9.287
   78   2HD   LYS  10          2HD       LYS  10   4.764 -11.674   9.265
   79   1HE   LYS  10          1HE       LYS  10   5.000 -10.443  11.559
   80   2HE   LYS  10          2HE       LYS  10   3.237 -10.351  11.546
   81   1HZ   LYS  10          1HZ       LYS  10   4.077 -12.251  12.741
   82   2HZ   LYS  10          2HZ       LYS  10   3.225 -12.767  11.431
   83   3HZ   LYS  10          3HZ       LYS  10   4.872 -12.801  11.414
   84    H    GLY  11           H        GLY  11   7.448  -9.056   7.182
   85   1HA   GLY  11          1HA       GLY  11   8.197 -11.251   5.673
   86   2HA   GLY  11          2HA       GLY  11   6.417 -11.314   5.733
   87    H    ASN  12           H        ASN  12   8.301 -10.652   3.520
   88    HA   ASN  12           HA       ASN  12   8.553  -7.875   3.069
   89   1HB   ASN  12          1HB       ASN  12   8.417 -10.137   1.061
   90   2HB   ASN  12          2HB       ASN  12   8.950  -8.504   0.698
   91   1HD2  ASN  12          1HD2      ASN  12  10.156  -9.261   3.828
   92   2HD2  ASN  12          2HD2      ASN  12  11.737  -9.772   3.278
   93    H    VAL  13           H        VAL  13   7.023  -6.484   2.799
   94    HA   VAL  13           HA       VAL  13   4.326  -7.144   1.818
   95    HB   VAL  13           HB       VAL  13   5.699  -4.611   2.690
   96   1HG1  VAL  13          1HG1      VAL  13   2.972  -4.982   1.367
   97   2HG1  VAL  13          2HG1      VAL  13   3.374  -3.589   2.376
   98   3HG1  VAL  13          3HG1      VAL  13   4.263  -3.851   0.892
   99   1HG2  VAL  13          1HG2      VAL  13   3.168  -5.969   3.731
  100   2HG2  VAL  13          2HG2      VAL  13   4.787  -6.297   4.362
  101   3HG2  VAL  13          3HG2      VAL  13   4.111  -4.669   4.503
  102    H    THR  14           H        THR  14   4.307  -7.615  -0.379
  103    HA   THR  14           HA       THR  14   6.104  -6.072  -2.208
  104    HB   THR  14           HB       THR  14   3.977  -8.158  -2.826
  105    HG1  THR  14           HG1      THR  14   5.868  -8.821  -1.591
  106   1HG2  THR  14          1HG2      THR  14   5.175  -8.287  -5.004
  107   2HG2  THR  14          2HG2      THR  14   4.479  -6.674  -4.762
  108   3HG2  THR  14          3HG2      THR  14   6.221  -6.939  -4.515
  109    H    PHE  15           H        PHE  15   5.400  -4.062  -2.966
  110    HA   PHE  15           HA       PHE  15   2.469  -3.719  -3.295
  111   1HB   PHE  15          1HB       PHE  15   2.388  -1.587  -2.317
  112   2HB   PHE  15          2HB       PHE  15   3.116  -2.660  -1.125
  113    HD1  PHE  15           HD1      PHE  15   5.601  -2.620  -0.751
  114    HD2  PHE  15           HD2      PHE  15   3.545   0.365  -3.097
  115    HE1  PHE  15           HE1      PHE  15   7.399  -0.990  -0.273
  116    HE2  PHE  15           HE2      PHE  15   5.398   1.976  -2.656
  117    HZ   PHE  15           HZ       PHE  15   7.313   1.278  -1.259
  118    H    ASP  16           H        ASP  16   2.031  -3.178  -5.315
  119    HA   ASP  16           HA       ASP  16   3.962  -2.322  -7.198
  120   1HB   ASP  16          1HB       ASP  16   1.058  -1.712  -7.476
  121   2HB   ASP  16          2HB       ASP  16   2.246  -2.253  -8.685
  122    H    HIS  17           H        HIS  17   4.272  -0.184  -8.005
  123    HA   HIS  17           HA       HIS  17   3.418   2.017  -6.173
  124   1HB   HIS  17          1HB       HIS  17   5.839   1.349  -6.036
  125   2HB   HIS  17          2HB       HIS  17   6.048   1.819  -7.704
  126    HD1  HIS  17           HND      HIS  17   7.721   3.789  -7.031
  127    HD2  HIS  17           HD       HIS  17   3.915   3.989  -5.254
  128    HE1  HIS  17           HE       HIS  17   7.502   6.105  -6.008
  129    H    LYS  18           H        LYS  18   4.987   1.967  -9.399
  130    HA   LYS  18           HA       LYS  18   3.572   4.064 -10.536
  131   1HB   LYS  18          1HB       LYS  18   5.459   3.187 -11.711
  132   2HB   LYS  18          2HB       LYS  18   4.732   1.563 -11.821
  133   1HG   LYS  18          1HG       LYS  18   3.056   2.249 -13.350
  134   2HG   LYS  18          2HG       LYS  18   3.371   3.964 -13.051
  135   1HD   LYS  18          1HD       LYS  18   5.515   3.801 -14.192
  136   2HD   LYS  18          2HD       LYS  18   5.345   2.025 -14.312
  137   1HE   LYS  18          1HE       LYS  18   3.405   2.207 -15.752
  138   2HE   LYS  18          2HE       LYS  18   3.272   3.951 -15.488
  139   1HZ   LYS  18          1HZ       LYS  18   5.307   4.234 -16.704
  140   2HZ   LYS  18          2HZ       LYS  18   5.443   2.602 -16.938
  141   3HZ   LYS  18          3HZ       LYS  18   4.182   3.429 -17.597
  142    H    ALA  19           H        ALA  19   2.763   0.569 -10.768
  143    HA   ALA  19           HA       ALA  19   0.344   0.672 -12.102
  144   1HB   ALA  19          1HB       ALA  19  -0.317  -1.299 -10.831
  145   2HB   ALA  19          2HB       ALA  19   1.432  -1.387 -11.178
  146   3HB   ALA  19          3HB       ALA  19   0.855  -0.860  -9.573
  147    H    HIS  20           H        HIS  20   0.738   1.105  -8.527
  148    HA   HIS  20           HA       HIS  20  -2.029   1.720  -8.059
  149   1HB   HIS  20          1HB       HIS  20   0.519   2.025  -6.447
  150   2HB   HIS  20          2HB       HIS  20  -0.985   2.749  -5.901
  151    HD1  HIS  20           HND      HIS  20  -0.696  -0.702  -7.549
  152    HD2  HIS  20           HD       HIS  20  -1.917   1.187  -4.025
  153    HE1  HIS  20           HE       HIS  20  -1.897  -2.472  -6.138
  154    H    ALA  21           H        ALA  21   0.749   3.586  -9.129
  155    HA   ALA  21           HA       ALA  21  -0.507   6.179  -8.719
  156   1HB   ALA  21          1HB       ALA  21   1.955   5.786  -9.094
  157   2HB   ALA  21          2HB       ALA  21   1.603   5.566 -10.814
  158   3HB   ALA  21          3HB       ALA  21   1.186   7.088 -10.056
  159    H    GLU  22           H        GLU  22  -0.206   4.148 -11.649
  160    HA   GLU  22           HA       GLU  22  -1.727   6.037 -13.232
  161   1HB   GLU  22          1HB       GLU  22  -1.613   4.373 -15.041
  162   2HB   GLU  22          2HB       GLU  22  -0.035   4.815 -14.376
  163   1HG   GLU  22          1HG       GLU  22   0.098   2.686 -13.194
  164   2HG   GLU  22          2HG       GLU  22  -1.538   2.248 -13.710
  165    H    LYS  23           H        LYS  23  -2.515   2.926 -11.675
  166    HA   LYS  23           HA       LYS  23  -5.150   2.754 -12.834
  167   1HB   LYS  23          1HB       LYS  23  -4.041   1.546 -10.266
  168   2HB   LYS  23          2HB       LYS  23  -5.560   1.098 -11.038
  169   1HG   LYS  23          1HG       LYS  23  -2.775   0.698 -12.228
  170   2HG   LYS  23          2HG       LYS  23  -3.814  -0.515 -11.466
  171   1HD   LYS  23          1HD       LYS  23  -5.501   0.419 -13.414
  172   2HD   LYS  23          2HD       LYS  23  -3.921   0.757 -14.167
  173   1HE   LYS  23          1HE       LYS  23  -3.364  -1.743 -13.403
  174   2HE   LYS  23          2HE       LYS  23  -5.120  -1.881 -13.226
  175   1HZ   LYS  23          1HZ       LYS  23  -4.409  -2.641 -15.323
  176   2HZ   LYS  23          2HZ       LYS  23  -5.326  -1.291 -15.539
  177   3HZ   LYS  23          3HZ       LYS  23  -3.680  -1.207 -15.692
  178    H    LEU  24           H        LEU  24  -3.845   4.194  -9.822
  179    HA   LEU  24           HA       LEU  24  -6.612   4.759  -8.912
  180   1HB   LEU  24          1HB       LEU  24  -4.169   5.136  -7.228
  181   2HB   LEU  24          2HB       LEU  24  -5.819   4.787  -6.753
  182    HG   LEU  24           HG       LEU  24  -4.020   2.784  -8.219
  183   1HD1  LEU  24          1HD1      LEU  24  -3.708   1.663  -6.135
  184   2HD1  LEU  24          2HD1      LEU  24  -3.142   3.342  -5.982
  185   3HD1  LEU  24          3HD1      LEU  24  -4.674   2.862  -5.278
  186   1HD2  LEU  24          1HD2      LEU  24  -6.701   2.356  -6.917
  187   2HD2  LEU  24          2HD2      LEU  24  -6.328   2.296  -8.647
  188   3HD2  LEU  24          3HD2      LEU  24  -5.598   1.113  -7.548
  189    H    GLY  25           H        GLY  25  -3.404   6.481  -9.301
  190   1HA   GLY  25          1HA       GLY  25  -3.971   8.515 -10.699
  191   2HA   GLY  25          2HA       GLY  25  -4.775   9.114  -9.226
  192    H    CYS  26           H        CYS  26  -3.509   9.190  -7.295
  193    HA   CYS  26           HA       CYS  26  -0.772   8.725  -6.949
  194   1HB   CYS  26          1HB       CYS  26  -0.729  10.777  -8.764
  195   2HB   CYS  26          2HB       CYS  26  -1.023  11.710  -7.323
  196    H    ASP  27           H        ASP  27  -3.279  10.966  -6.560
  197    HA   ASP  27           HA       ASP  27  -3.282  12.212  -4.088
  198   1HB   ASP  27          1HB       ASP  27  -5.729  12.073  -4.427
  199   2HB   ASP  27          2HB       ASP  27  -4.886  12.626  -5.875
  200    H    ALA  28           H        ALA  28  -4.366   9.030  -5.071
  201    HA   ALA  28           HA       ALA  28  -5.382   7.714  -3.006
  202   1HB   ALA  28          1HB       ALA  28  -3.064   6.830  -4.767
  203   2HB   ALA  28          2HB       ALA  28  -3.983   5.713  -3.745
  204   3HB   ALA  28          3HB       ALA  28  -4.797   6.595  -5.062
  205    H    CYS  29           H        CYS  29  -1.921   8.469  -3.215
  206    HA   CYS  29           HA       CYS  29  -1.586   7.893  -0.281
  207   1HB   CYS  29          1HB       CYS  29   0.420   7.350  -2.449
  208   2HB   CYS  29          2HB       CYS  29   0.537   6.900  -0.733
  209    H    HIS  30           H        HIS  30  -0.645   9.938  -3.065
  210    HA   HIS  30           HA       HIS  30   0.900  11.720  -1.231
  211   1HB   HIS  30          1HB       HIS  30   1.392  11.129  -4.161
  212   2HB   HIS  30          2HB       HIS  30   2.309  12.207  -3.125
  213    HD1  HIS  30           HND      HIS  30   3.942  10.933  -1.338
  214    HD2  HIS  30           HD       HIS  30   2.261   8.818  -4.494
  215    HE1  HIS  30           HE       HIS  30   5.566   8.940  -1.919
  216    H    GLU  31           H        GLU  31  -0.329  13.493  -1.012
  217    HA   GLU  31           HA       GLU  31  -2.389  14.266  -2.888
  218   1HB   GLU  31          1HB       GLU  31  -1.190  16.039  -0.686
  219   2HB   GLU  31          2HB       GLU  31  -2.797  16.095  -1.430
  220   1HG   GLU  31          1HG       GLU  31  -3.009  13.677  -0.629
  221   2HG   GLU  31          2HG       GLU  31  -1.663  14.003   0.471
  222    H    GLY  32           H        GLY  32   0.677  15.614  -1.954
  223   1HA   GLY  32          1HA       GLY  32   0.944  17.272  -4.417
  224   2HA   GLY  32          2HA       GLY  32   0.957  18.027  -2.813
  225    H    THR  33           H        THR  33   2.889  17.012  -5.137
  226    HA   THR  33           HA       THR  33   5.132  16.651  -5.400
  227    HB   THR  33           HB       THR  33   6.513  17.982  -3.850
  228    HG1  THR  33           HG1      THR  33   4.794  17.659  -2.107
  229   1HG2  THR  33          1HG2      THR  33   5.578  20.143  -4.540
  230   2HG2  THR  33          2HG2      THR  33   5.467  18.975  -5.870
  231   3HG2  THR  33          3HG2      THR  33   4.022  19.381  -4.916
  232    HA   PRO  34           HA       PRO  34   5.248  13.062  -2.462
  233   1HB   PRO  34          1HB       PRO  34   5.917  11.100  -4.206
  234   2HB   PRO  34          2HB       PRO  34   4.257  11.710  -4.047
  235   1HG   PRO  34          1HG       PRO  34   6.232  12.549  -6.121
  236   2HG   PRO  34          2HG       PRO  34   4.525  12.016  -6.305
  237   1HD   PRO  34          1HD       PRO  34   5.197  14.638  -6.233
  238   2HD   PRO  34          2HD       PRO  34   3.700  14.066  -5.435
  239    H    ALA  35           H        ALA  35   7.027  12.376  -1.384
  240    HA   ALA  35           HA       ALA  35   9.664  12.137  -2.606
  241   1HB   ALA  35          1HB       ALA  35   9.078  14.265  -0.499
  242   2HB   ALA  35          2HB       ALA  35  10.699  13.766  -1.046
  243   3HB   ALA  35          3HB       ALA  35   9.577  14.551  -2.179
  244    H    LYS  36           H        LYS  36   8.726  10.074  -1.996
  245    HA   LYS  36           HA       LYS  36   8.246   8.295  -0.839
  246   1HB   LYS  36          1HB       LYS  36   9.638   7.542   0.975
  247   2HB   LYS  36          2HB       LYS  36  10.598   8.145  -0.354
  248   1HG   LYS  36          1HG       LYS  36  11.242  10.088   0.765
  249   2HG   LYS  36          2HG       LYS  36  10.013   9.922   2.037
  250   1HD   LYS  36          1HD       LYS  36  12.217   7.871   1.581
  251   2HD   LYS  36          2HD       LYS  36  12.439   9.296   2.615
  252   1HE   LYS  36          1HE       LYS  36  10.535   8.647   4.037
  253   2HE   LYS  36          2HE       LYS  36  10.205   7.236   3.029
  254   1HZ   LYS  36          1HZ       LYS  36  11.407   6.648   4.969
  255   2HZ   LYS  36          2HZ       LYS  36  12.325   6.344   3.638
  256   3HZ   LYS  36          3HZ       LYS  36  12.655   7.652   4.589
  257    H    ILE  37           H        ILE  37   7.495   7.252   1.227
  258    HA   ILE  37           HA       ILE  37   6.338   9.231   3.088
  259    HB   ILE  37           HB       ILE  37   4.629   6.782   2.746
  260   1HG1  ILE  37          1HG1      ILE  37   4.502   9.077   0.806
  261   2HG1  ILE  37          2HG1      ILE  37   4.927   7.402   0.428
  262   1HG2  ILE  37          1HG2      ILE  37   4.403   8.540   4.536
  263   2HG2  ILE  37          2HG2      ILE  37   4.011   9.701   3.252
  264   3HG2  ILE  37          3HG2      ILE  37   2.964   8.297   3.544
  265   1HD1  ILE  37          1HD1      ILE  37   2.665   7.742  -0.193
  266   2HD1  ILE  37          2HD1      ILE  37   2.660   6.695   1.242
  267   3HD1  ILE  37          3HD1      ILE  37   2.232   8.420   1.382
  268    H    ALA  38           H        ALA  38   6.115   5.764   3.386
  269    HA   ALA  38           HA       ALA  38   8.353   5.013   4.802
  270   1HB   ALA  38          1HB       ALA  38   7.962   6.708   6.521
  271   2HB   ALA  38          2HB       ALA  38   6.227   6.318   6.558
  272   3HB   ALA  38          3HB       ALA  38   7.422   5.159   7.177
  273    H    ILE  39           H        ILE  39   4.814   5.141   5.087
  274    HA   ILE  39           HA       ILE  39   3.267   3.678   5.700
  275    HB   ILE  39           HB       ILE  39   4.614   2.270   3.429
  276   1HG1  ILE  39          1HG1      ILE  39   3.638   4.567   3.107
  277   2HG1  ILE  39          2HG1      ILE  39   2.936   3.313   2.128
  278   1HG2  ILE  39          1HG2      ILE  39   2.460   1.025   3.147
  279   2HG2  ILE  39          2HG2      ILE  39   3.373   0.521   4.546
  280   3HG2  ILE  39          3HG2      ILE  39   1.964   1.575   4.762
  281   1HD1  ILE  39          1HD1      ILE  39   1.214   4.818   2.891
  282   2HD1  ILE  39          2HD1      ILE  39   0.936   3.215   3.576
  283   3HD1  ILE  39          3HD1      ILE  39   1.608   4.519   4.584
  284    H    ASP  40           H        ASP  40   3.449   3.223   7.636
  285    HA   ASP  40           HA       ASP  40   5.010   0.885   8.643
  286   1HB   ASP  40          1HB       ASP  40   3.451   2.901  10.291
  287   2HB   ASP  40          2HB       ASP  40   4.610   1.713  10.863
  288    H    LYS  41           H        LYS  41   3.780  -0.643   9.902
  289    HA   LYS  41           HA       LYS  41   1.279  -1.581   9.495
  290   1HB   LYS  41          1HB       LYS  41   1.237  -1.969  12.054
  291   2HB   LYS  41          2HB       LYS  41   2.394  -2.790  11.066
  292   1HG   LYS  41          1HG       LYS  41   3.441  -0.183  12.143
  293   2HG   LYS  41          2HG       LYS  41   2.909  -1.286  13.403
  294   1HD   LYS  41          1HD       LYS  41   4.560  -2.800  13.003
  295   2HD   LYS  41          2HD       LYS  41   4.459  -2.530  11.258
  296   1HE   LYS  41          1HE       LYS  41   5.725  -0.333  11.655
  297   2HE   LYS  41          2HE       LYS  41   6.189  -1.062  13.207
  298   1HZ   LYS  41          1HZ       LYS  41   7.783  -1.545  11.428
  299   2HZ   LYS  41          2HZ       LYS  41   7.075  -2.982  11.798
  300   3HZ   LYS  41          3HZ       LYS  41   6.625  -2.156  10.482
  301    H    LYS  42           H        LYS  42   2.028   1.109  11.588
  302    HA   LYS  42           HA       LYS  42  -0.462   1.705  12.692
  303   1HB   LYS  42          1HB       LYS  42   1.699   3.732  11.945
  304   2HB   LYS  42          2HB       LYS  42   0.453   3.913  13.188
  305   1HG   LYS  42          1HG       LYS  42   1.470   1.955  14.407
  306   2HG   LYS  42          2HG       LYS  42   2.796   1.958  13.224
  307   1HD   LYS  42          1HD       LYS  42   3.262   4.345  13.765
  308   2HD   LYS  42          2HD       LYS  42   2.052   4.258  15.065
  309   1HE   LYS  42          1HE       LYS  42   3.362   2.429  16.151
  310   2HE   LYS  42          2HE       LYS  42   4.546   2.487  14.832
  311   1HZ   LYS  42          1HZ       LYS  42   5.307   3.693  16.731
  312   2HZ   LYS  42          2HZ       LYS  42   5.083   4.727  15.476
  313   3HZ   LYS  42          3HZ       LYS  42   3.996   4.683  16.714
  314    H    SER  43           H        SER  43   0.719   2.534   9.474
  315    HA   SER  43           HA       SER  43  -1.693   4.216   8.927
  316   1HB   SER  43          1HB       SER  43   0.911   3.862   7.374
  317   2HB   SER  43          2HB       SER  43  -0.449   4.908   6.949
  318    HG   SER  43           HG       SER  43   1.093   5.061   9.337
  319    H    ALA  44           H        ALA  44   0.361   1.668   7.525
  320    HA   ALA  44           HA       ALA  44  -0.976   0.732   5.371
  321   1HB   ALA  44          1HB       ALA  44   0.071  -1.395   5.886
  322   2HB   ALA  44          2HB       ALA  44   1.205  -0.044   6.247
  323   3HB   ALA  44          3HB       ALA  44   0.378  -0.895   7.555
  324    H    HIS  45           H        HIS  45  -1.551  -0.450   8.735
  325    HA   HIS  45           HA       HIS  45  -3.709  -2.203   7.787
  326   1HB   HIS  45          1HB       HIS  45  -2.349  -1.720  10.442
  327   2HB   HIS  45          2HB       HIS  45  -3.808  -2.667  10.304
  328    HD1  HIS  45           HND      HIS  45  -2.717  -4.763  11.177
  329    HD2  HIS  45           HD       HIS  45  -0.962  -3.273   7.648
  330    HE1  HIS  45           HE       HIS  45  -1.171  -6.562  10.312
  331    H    LYS  46           H        LYS  46  -3.749   1.063   8.169
  332    HA   LYS  46           HA       LYS  46  -6.207   1.194   9.867
  333   1HB   LYS  46          1HB       LYS  46  -4.155   1.624  11.079
  334   2HB   LYS  46          2HB       LYS  46  -3.660   2.829   9.897
  335   1HG   LYS  46          1HG       LYS  46  -6.299   3.289  11.258
  336   2HG   LYS  46          2HG       LYS  46  -4.842   3.385  12.270
  337   1HD   LYS  46          1HD       LYS  46  -3.816   4.997  10.671
  338   2HD   LYS  46          2HD       LYS  46  -5.313   4.945   9.725
  339   1HE   LYS  46          1HE       LYS  46  -6.546   5.716  11.821
  340   2HE   LYS  46          2HE       LYS  46  -4.952   6.030  12.546
  341   1HZ   LYS  46          1HZ       LYS  46  -5.872   7.997  11.505
  342   2HZ   LYS  46          2HZ       LYS  46  -4.564   7.517  10.605
  343   3HZ   LYS  46          3HZ       LYS  46  -6.098   7.185  10.102
  344    H    ASP  47           H        ASP  47  -4.217   3.316   7.713
  345    HA   ASP  47           HA       ASP  47  -6.583   4.079   6.157
  346   1HB   ASP  47          1HB       ASP  47  -5.064   6.144   7.811
  347   2HB   ASP  47          2HB       ASP  47  -5.996   6.529   6.373
  348    H    ALA  48           H        ALA  48  -4.713   2.473   5.317
  349    HA   ALA  48           HA       ALA  48  -3.918   4.055   3.026
  350   1HB   ALA  48          1HB       ALA  48  -1.847   4.352   4.213
  351   2HB   ALA  48          2HB       ALA  48  -1.763   2.651   4.665
  352   3HB   ALA  48          3HB       ALA  48  -1.567   3.137   2.959
  353    H    CYS  49           H        CYS  49  -2.359   1.003   3.504
  354    HA   CYS  49           HA       CYS  49  -3.539  -0.043   1.184
  355   1HB   CYS  49          1HB       CYS  49  -2.456  -1.793   3.337
  356   2HB   CYS  49          2HB       CYS  49  -2.318  -2.003   1.610
  357    H    LYS  50           H        LYS  50  -4.143  -1.087   4.576
  358    HA   LYS  50           HA       LYS  50  -6.364  -2.780   3.760
  359   1HB   LYS  50          1HB       LYS  50  -4.584  -3.187   5.603
  360   2HB   LYS  50          2HB       LYS  50  -5.505  -1.995   6.529
  361   1HG   LYS  50          1HG       LYS  50  -7.554  -3.623   5.989
  362   2HG   LYS  50          2HG       LYS  50  -6.279  -4.804   5.674
  363   1HD   LYS  50          1HD       LYS  50  -5.375  -4.477   7.936
  364   2HD   LYS  50          2HD       LYS  50  -6.469  -3.101   8.199
  365   1HE   LYS  50          1HE       LYS  50  -8.440  -4.601   7.975
  366   2HE   LYS  50          2HE       LYS  50  -7.351  -5.997   7.862
  367   1HZ   LYS  50          1HZ       LYS  50  -6.551  -5.448  10.060
  368   2HZ   LYS  50          2HZ       LYS  50  -7.511  -4.113  10.131
  369   3HZ   LYS  50          3HZ       LYS  50  -8.188  -5.613  10.098
  370    H    THR  51           H        THR  51  -6.909  -0.124   3.070
  371    HA   THR  51           HA       THR  51  -9.485   0.229   4.357
  372    HB   THR  51           HB       THR  51  -7.254   2.095   5.017
  373    HG1  THR  51           HG1      THR  51  -8.419   2.136   6.893
  374   1HG2  THR  51          1HG2      THR  51  -8.524   3.670   3.655
  375   2HG2  THR  51          2HG2      THR  51 -10.056   3.121   4.379
  376   3HG2  THR  51          3HG2      THR  51  -8.864   3.989   5.356
  377    H    CYS  52           H        CYS  52  -7.015   1.690   2.185
  378    HA   CYS  52           HA       CYS  52  -8.907   2.833   0.401
  379   1HB   CYS  52          1HB       CYS  52  -6.436   3.233   0.757
  380   2HB   CYS  52          2HB       CYS  52  -6.150   1.814  -0.257
  381    H    HIS  53           H        HIS  53  -7.403  -0.426   0.559
  382    HA   HIS  53           HA       HIS  53  -8.448  -1.415  -1.877
  383   1HB   HIS  53          1HB       HIS  53  -7.780  -2.804   0.765
  384   2HB   HIS  53          2HB       HIS  53  -8.248  -3.665  -0.712
  385    HD1  HIS  53           HND      HIS  53  -5.608  -4.618   0.025
  386    HD2  HIS  53           HD       HIS  53  -6.227  -1.129  -2.200
  387    HE1  HIS  53           HE       HIS  53  -3.477  -4.166  -1.299
  388    H    LYS  54           H        LYS  54  -9.801  -2.194   1.300
  389    HA   LYS  54           HA       LYS  54 -11.781  -3.358   1.712
  390   1HB   LYS  54          1HB       LYS  54 -12.343  -0.448   1.325
  391   2HB   LYS  54          2HB       LYS  54 -13.560  -1.584   1.945
  392   1HG   LYS  54          1HG       LYS  54 -12.088  -2.298   3.773
  393   2HG   LYS  54          2HG       LYS  54 -10.776  -1.306   3.123
  394   1HD   LYS  54          1HD       LYS  54 -11.700  -0.135   4.948
  395   2HD   LYS  54          2HD       LYS  54 -12.143   0.720   3.454
  396   1HE   LYS  54          1HE       LYS  54 -14.430  -0.250   3.566
  397   2HE   LYS  54          2HE       LYS  54 -13.982  -1.149   5.028
  398   1HZ   LYS  54          1HZ       LYS  54 -13.620   0.973   6.118
  399   2HZ   LYS  54          2HZ       LYS  54 -14.049   1.785   4.753
  400   3HZ   LYS  54          3HZ       LYS  54 -15.159   0.866   5.543
  401    H    SER  55           H        SER  55 -12.209  -4.883   0.097
  402    HA   SER  55           HA       SER  55 -13.911  -6.013  -0.862
  403   1HB   SER  55          1HB       SER  55 -15.472  -4.278   0.141
  404   2HB   SER  55          2HB       SER  55 -15.408  -3.441  -1.433
  405    HG   SER  55           HG       SER  55 -16.159  -5.297  -2.413
  406    H    ASN  56           H        ASN  56 -11.695  -5.515  -2.233
  407    HA   ASN  56           HA       ASN  56 -12.568  -5.318  -5.073
  408   1HB   ASN  56          1HB       ASN  56 -10.661  -3.885  -5.540
  409   2HB   ASN  56          2HB       ASN  56 -11.730  -3.112  -4.361
  410   1HD2  ASN  56          1HD2      ASN  56  -8.855  -2.578  -4.859
  411   2HD2  ASN  56          2HD2      ASN  56  -7.977  -3.053  -3.408
  412    H    ASN  57           H        ASN  57  -9.901  -6.115  -2.830
  413    HA   ASN  57           HA       ASN  57  -8.646  -7.946  -4.738
  414   1HB   ASN  57          1HB       ASN  57  -7.957  -7.105  -1.886
  415   2HB   ASN  57          2HB       ASN  57  -6.888  -8.002  -2.949
  416   1HD2  ASN  57          1HD2      ASN  57  -6.946  -6.727  -5.337
  417   2HD2  ASN  57          2HD2      ASN  57  -6.565  -5.018  -5.171
  418    H    GLY  58           H        GLY  58  -7.913 -10.088  -3.964
  419   1HA   GLY  58          1HA       GLY  58 -10.199 -11.597  -2.876
  420   2HA   GLY  58          2HA       GLY  58  -8.699 -12.262  -3.509
  421    HA   PRO  59           HA       PRO  59  -7.271 -12.598   0.708
  422   1HB   PRO  59          1HB       PRO  59  -4.569 -12.395   0.541
  423   2HB   PRO  59          2HB       PRO  59  -5.432 -13.622  -0.419
  424   1HG   PRO  59          1HG       PRO  59  -4.564 -10.861  -1.362
  425   2HG   PRO  59          2HG       PRO  59  -4.210 -12.433  -2.138
  426   1HD   PRO  59          1HD       PRO  59  -6.277 -10.830  -2.873
  427   2HD   PRO  59          2HD       PRO  59  -6.429 -12.610  -2.912
  428    H    THR  60           H        THR  60  -8.581 -10.497   0.919
  429    HA   THR  60           HA       THR  60  -7.171  -8.099   1.757
  430    HB   THR  60           HB       THR  60  -9.607  -7.742   2.660
  431    HG1  THR  60           HG1      THR  60 -10.341  -9.831   2.730
  432   1HG2  THR  60          1HG2      THR  60  -9.165  -8.366  -0.291
  433   2HG2  THR  60          2HG2      THR  60 -10.517  -7.425   0.360
  434   3HG2  THR  60          3HG2      THR  60  -8.857  -6.802   0.495
  435    H    LYS  61           H        LYS  61  -8.731 -10.904   3.120
  436    HA   LYS  61           HA       LYS  61  -8.071 -10.361   5.904
  437   1HB   LYS  61          1HB       LYS  61  -9.223 -12.398   6.415
  438   2HB   LYS  61          2HB       LYS  61 -10.212 -11.330   5.439
  439   1HG   LYS  61          1HG       LYS  61  -8.825 -13.870   4.433
  440   2HG   LYS  61          2HG       LYS  61 -10.504 -13.708   4.937
  441   1HD   LYS  61          1HD       LYS  61 -10.721 -11.886   3.115
  442   2HD   LYS  61          2HD       LYS  61  -9.181 -12.566   2.471
  443   1HE   LYS  61          1HE       LYS  61 -10.203 -14.738   2.199
  444   2HE   LYS  61          2HE       LYS  61 -11.745 -14.130   2.829
  445   1HZ   LYS  61          1HZ       LYS  61 -11.587 -14.144   0.383
  446   2HZ   LYS  61          2HZ       LYS  61 -11.908 -12.652   0.989
  447   3HZ   LYS  61          3HZ       LYS  61 -10.409 -12.986   0.431
  448    H    CYS  62           H        CYS  62  -5.813 -10.190   4.710
  449    HA   CYS  62           HA       CYS  62  -3.683 -10.698   5.163
  450   1HB   CYS  62          1HB       CYS  62  -4.819 -11.721   7.203
  451   2HB   CYS  62          2HB       CYS  62  -4.344 -13.280   6.496
  452    H    GLY  63           H        GLY  63  -1.939 -12.473   4.787
  453   1HA   GLY  63          1HA       GLY  63  -0.800 -13.598   3.155
  454   2HA   GLY  63          2HA       GLY  63  -2.308 -14.456   2.777
  455    H    GLY  64           H        GLY  64  -1.982 -10.958   2.640
  456   1HA   GLY  64          1HA       GLY  64  -2.622 -10.985  -0.269
  457   2HA   GLY  64          2HA       GLY  64  -2.967  -9.712   0.923
  458    H    CYS  65           H        CYS  65  -0.975  -8.846   2.009
  459    HA   CYS  65           HA       CYS  65   0.579  -7.648  -0.165
  460   1HB   CYS  65          1HB       CYS  65   0.310  -6.823   2.719
  461   2HB   CYS  65          2HB       CYS  65   0.724  -5.797   1.337
  462    H    HIS  66           H        HIS  66   1.111  -8.921   3.138
  463    HA   HIS  66           HA       HIS  66   3.973  -9.208   2.935
  464   1HB   HIS  66          1HB       HIS  66   2.008 -10.727   4.684
  465   2HB   HIS  66          2HB       HIS  66   3.753 -10.683   4.867
  466    HD1  HIS  66           HND      HIS  66   4.779  -8.158   5.596
  467    HD2  HIS  66           HD       HIS  66   0.611  -8.828   5.871
  468    HE1  HIS  66           HE       HIS  66   3.749  -6.336   7.130
  469    H    ILE  67           H        ILE  67   4.847 -10.559   1.411
  470    HA   ILE  67           HA       ILE  67   3.526 -13.068   0.610
  471    HB   ILE  67           HB       ILE  67   6.335 -12.047   0.085
  472   1HG1  ILE  67          1HG1      ILE  67   4.705 -10.457  -0.806
  473   2HG1  ILE  67          2HG1      ILE  67   5.492 -11.353  -2.106
  474   1HG2  ILE  67          1HG2      ILE  67   6.229 -13.664  -1.828
  475   2HG2  ILE  67          2HG2      ILE  67   6.207 -14.451  -0.246
  476   3HG2  ILE  67          3HG2      ILE  67   4.706 -14.302  -1.170
  477   1HD1  ILE  67          1HD1      ILE  67   2.665 -11.794  -1.043
  478   2HD1  ILE  67          2HD1      ILE  67   3.135 -11.059  -2.576
  479   3HD1  ILE  67          3HD1      ILE  67   3.436 -12.781  -2.309
  480    H    LYS  68           H        LYS  68   3.121 -13.805   2.691
  481    HA   LYS  68           HA       LYS  68   5.186 -14.748   4.508
  482   1HB   LYS  68          1HB       LYS  68   2.810 -14.330   5.152
  483   2HB   LYS  68          2HB       LYS  68   2.305 -15.639   4.063
  484   1HG   LYS  68          1HG       LYS  68   3.808 -17.197   5.432
  485   2HG   LYS  68          2HG       LYS  68   3.988 -15.889   6.599
  486   1HD   LYS  68          1HD       LYS  68   1.394 -17.227   5.679
  487   2HD   LYS  68          2HD       LYS  68   2.239 -17.558   7.200
  488   1HE   LYS  68          1HE       LYS  68   1.855 -15.206   7.937
  489   2HE   LYS  68          2HE       LYS  68   1.000 -14.863   6.423
  490   1HZ   LYS  68          1HZ       LYS  68  -0.634 -16.494   7.018
  491   2HZ   LYS  68          2HZ       LYS  68   0.132 -16.820   8.438
  492   3HZ   LYS  68          3HZ       LYS  68  -0.527 -15.334   8.175
  493    HHA  HEC  69           HCM      HEC  69   8.812   6.524  -2.274
  494    HHB  HEC  69           HDM      HEC  69   6.638  10.274  -6.923
  495    HHC  HEC  69           HAM      HEC  69   1.143   6.953  -6.881
  496    HHD  HEC  69           HBM      HEC  69   2.871   4.553  -1.187
  497   1HMA  HEC  69          HM81      HEC  69   8.759  11.344  -5.685
  498   2HMA  HEC  69          HM82      HEC  69  10.195  10.299  -5.686
  499   3HMA  HEC  69          HM83      HEC  69   9.022  10.161  -6.994
  500   1HAA  HEC  69          HP71      HEC  69  10.588   9.624  -3.569
  501   2HAA  HEC  69          HP72      HEC  69  10.157   8.330  -2.479
  502   1HBA  HEC  69          HP73      HEC  69  10.957   6.647  -4.028
  503   2HBA  HEC  69          HP74      HEC  69  11.331   7.903  -5.223
  504   1HMB  HEC  69          HM11      HEC  69   4.410  10.132  -9.793
  505   2HMB  HEC  69          HM12      HEC  69   3.972  11.403  -8.620
  506   3HMB  HEC  69          HM13      HEC  69   5.628  10.786  -8.721
  507    HAB  HEC  69          HT2A      HEC  69   0.943   8.504  -8.314
  508   1HBB  HEC  69          HT21      HEC  69   2.141  10.776  -9.874
  509   2HBB  HEC  69          HT22      HEC  69   2.357   9.085 -10.392
  510   3HBB  HEC  69          HT23      HEC  69   0.739   9.771 -10.229
  511   1HMC  HEC  69          HM31      HEC  69  -0.775   6.611  -5.386
  512   2HMC  HEC  69          HM32      HEC  69  -0.408   5.104  -6.246
  513   3HMC  HEC  69          HM33      HEC  69  -1.209   5.062  -4.676
  514    HAC  HEC  69          HT4A      HEC  69   0.856   4.114  -1.488
  515   1HBC  HEC  69          HT41      HEC  69  -1.184   3.261  -3.518
  516   2HBC  HEC  69          HT42      HEC  69   0.430   2.497  -3.494
  517   3HBC  HEC  69          HT43      HEC  69  -0.610   2.456  -2.064
  518   1HMD  HEC  69          HM51      HEC  69   4.463   3.274   0.057
  519   2HMD  HEC  69          HM52      HEC  69   5.837   3.816   1.037
  520   3HMD  HEC  69          HM53      HEC  69   4.351   4.796   0.972
  521   1HAD  HEC  69          HP61      HEC  69   8.772   5.846  -0.303
  522   2HAD  HEC  69          HP62      HEC  69   7.658   5.292   0.913
  523   1HBD  HEC  69          HP63      HEC  69   9.378   3.665   0.601
  524   2HBD  HEC  69          HP64      HEC  69   7.853   3.007   0.011
  525    HHA  HEC  70           HCM      HEC  70  -4.251  -4.915  -6.356
  526    HHB  HEC  70           HDM      HEC  70  -0.131  -4.371  -1.484
  527    HHC  HEC  70           HAM      HEC  70  -2.259   1.537  -0.449
  528    HHD  HEC  70           HBM      HEC  70  -6.797   0.764  -4.807
  529   1HMA  HEC  70          HM81      HEC  70   0.400  -6.183  -2.609
  530   2HMA  HEC  70          HM82      HEC  70  -0.896  -7.401  -2.647
  531   3HMA  HEC  70          HM83      HEC  70   0.036  -7.015  -4.113
  532   1HAA  HEC  70          HP71      HEC  70  -2.592  -7.038  -6.248
  533   2HAA  HEC  70          HP72      HEC  70  -2.225  -7.839  -4.723
  534   1HBA  HEC  70          HP73      HEC  70  -4.591  -6.944  -3.996
  535   2HBA  HEC  70          HP74      HEC  70  -4.858  -6.891  -5.760
  536   1HMB  HEC  70          HM11      HEC  70   0.123  -3.271   1.223
  537   2HMB  HEC  70          HM12      HEC  70   1.276  -3.392  -0.114
  538   3HMB  HEC  70          HM13      HEC  70   1.360  -2.021   0.995
  539    HAB  HEC  70          HT2A      HEC  70  -1.031   1.120   1.065
  540   1HBB  HEC  70          HT21      HEC  70   1.809   0.139   1.033
  541   2HBB  HEC  70          HT22      HEC  70   1.150   1.256  -0.169
  542   3HBB  HEC  70          HT23      HEC  70   1.138   1.706   1.534
  543   1HMC  HEC  70          HM31      HEC  70  -2.859   3.592  -1.358
  544   2HMC  HEC  70          HM32      HEC  70  -4.398   4.330  -1.779
  545   3HMC  HEC  70          HM33      HEC  70  -4.230   3.423  -0.258
  546    HAC  HEC  70          HT4A      HEC  70  -7.540   2.100  -3.013
  547   1HBC  HEC  70          HT41      HEC  70  -5.813   4.394  -4.018
  548   2HBC  HEC  70          HT42      HEC  70  -6.811   3.289  -4.992
  549   3HBC  HEC  70          HT43      HEC  70  -7.586   4.465  -3.941
  550   1HMD  HEC  70          HM51      HEC  70  -7.332  -0.561  -7.829
  551   2HMD  HEC  70          HM52      HEC  70  -8.415  -1.715  -7.040
  552   3HMD  HEC  70          HM53      HEC  70  -8.101  -0.154  -6.282
  553   1HAD  HEC  70          HP61      HEC  70  -6.074  -4.588  -7.675
  554   2HAD  HEC  70          HP62      HEC  70  -7.159  -3.302  -8.161
  555   1HBD  HEC  70          HP63      HEC  70  -5.163  -2.010  -9.002
  556   2HBD  HEC  70          HP64      HEC  70  -4.182  -3.453  -8.704
  557    HHA  HEC  71           HCM      HEC  71   3.794  -3.500   9.020
  558    HHB  HEC  71           HDM      HEC  71   1.267  -8.884  11.347
  559    HHC  HEC  71           HAM      HEC  71  -2.708  -9.062   6.366
  560    HHD  HEC  71           HBM      HEC  71   0.105  -3.990   3.864
  561   1HMA  HEC  71          HM81      HEC  71   2.314  -7.684  13.070
  562   2HMA  HEC  71          HM82      HEC  71   3.889  -8.196  12.397
  563   3HMA  HEC  71          HM83      HEC  71   3.723  -6.627  13.196
  564   1HAA  HEC  71          HP71      HEC  71   5.186  -4.293  10.444
  565   2HAA  HEC  71          HP72      HEC  71   4.847  -4.762  12.139
  566   1HBA  HEC  71          HP73      HEC  71   5.805  -6.914  11.697
  567   2HBA  HEC  71          HP74      HEC  71   5.870  -6.487   9.946
  568   1HMB  HEC  71          HM11      HEC  71   0.471 -10.948  11.153
  569   2HMB  HEC  71          HM12      HEC  71  -1.254 -10.775  11.536
  570   3HMB  HEC  71          HM13      HEC  71  -0.705 -11.907  10.269
  571    HAB  HEC  71          HT2A      HEC  71  -3.600 -10.054   8.014
  572   1HBB  HEC  71          HT21      HEC  71  -2.903 -12.124  10.089
  573   2HBB  HEC  71          HT22      HEC  71  -3.578 -10.513  10.461
  574   3HBB  HEC  71          HT23      HEC  71  -4.475 -11.651   9.452
  575   1HMC  HEC  71          HM31      HEC  71  -2.862  -9.026   3.976
  576   2HMC  HEC  71          HM32      HEC  71  -4.174  -8.165   4.774
  577   3HMC  HEC  71          HM33      HEC  71  -3.678  -7.728   3.113
  578    HAC  HEC  71          HT4A      HEC  71  -1.545  -4.365   2.697
  579   1HBC  HEC  71          HT41      HEC  71  -3.838  -4.257   3.569
  580   2HBC  HEC  71          HT42      HEC  71  -3.690  -4.237   1.806
  581   3HBC  HEC  71          HT43      HEC  71  -4.241  -5.703   2.625
  582   1HMD  HEC  71          HM51      HEC  71   1.669  -2.642   3.367
  583   2HMD  HEC  71          HM52      HEC  71   1.700  -1.206   4.379
  584   3HMD  HEC  71          HM53      HEC  71   3.198  -2.045   4.007
  585   1HAD  HEC  71          HP61      HEC  71   4.031  -1.279   5.871
  586   2HAD  HEC  71          HP62      HEC  71   3.620  -1.202   7.542
  587   1HBD  HEC  71          HP63      HEC  71   5.353  -3.495   6.859
  588   2HBD  HEC  71          HP64      HEC  71   6.041  -1.933   6.387
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1   8.995   2.917  -4.667
    2   2H    ALA   1          2H        ALA   1   9.148   4.475  -4.264
    3   3H    ALA   1          3H        ALA   1   7.900   4.007  -5.244
    4    HA   ALA   1           HA       ALA   1   9.440   4.958  -6.711
    5   1HB   ALA   1          1HB       ALA   1  11.541   3.292  -5.260
    6   2HB   ALA   1          2HB       ALA   1  11.824   4.346  -6.660
    7   3HB   ALA   1          3HB       ALA   1  11.306   5.042  -5.112
    8    H    ASP   2           H        ASP   2   8.394   3.895  -8.440
    9    HA   ASP   2           HA       ASP   2   7.644   2.396  -9.774
   10   1HB   ASP   2          1HB       ASP   2   9.973   2.867 -10.509
   11   2HB   ASP   2          2HB       ASP   2  10.485   1.322  -9.799
   12    H    VAL   3           H        VAL   3   9.805   0.151  -7.998
   13    HA   VAL   3           HA       VAL   3   7.442  -1.220  -6.960
   14    HB   VAL   3           HB       VAL   3   8.366  -3.466  -7.310
   15   1HG1  VAL   3          1HG1      VAL   3   6.593  -2.641  -8.801
   16   2HG1  VAL   3          2HG1      VAL   3   7.813  -2.041  -9.943
   17   3HG1  VAL   3          3HG1      VAL   3   7.657  -3.781  -9.615
   18   1HG2  VAL   3          1HG2      VAL   3  10.001  -3.898  -9.116
   19   2HG2  VAL   3          2HG2      VAL   3  10.316  -2.157  -9.255
   20   3HG2  VAL   3          3HG2      VAL   3  10.732  -3.038  -7.762
   21    H    VAL   4           H        VAL   4   7.743  -1.481  -4.791
   22    HA   VAL   4           HA       VAL   4  10.506  -1.697  -3.720
   23    HB   VAL   4           HB       VAL   4   8.456   0.330  -2.800
   24   1HG1  VAL   4          1HG1      VAL   4  11.052  -0.552  -1.424
   25   2HG1  VAL   4          2HG1      VAL   4  10.153   0.920  -1.015
   26   3HG1  VAL   4          3HG1      VAL   4   9.427  -0.647  -0.731
   27   1HG2  VAL   4          1HG2      VAL   4  10.308   1.918  -3.095
   28   2HG2  VAL   4          2HG2      VAL   4  11.345   0.595  -3.678
   29   3HG2  VAL   4          3HG2      VAL   4   9.908   1.077  -4.604
   30    H    THR   5           H        THR   5  10.440  -2.571  -1.504
   31    HA   THR   5           HA       THR   5   7.814  -3.455  -0.744
   32    HB   THR   5           HB       THR   5   8.827  -5.608  -1.373
   33    HG1  THR   5           HG1      THR   5   9.425  -5.240   1.364
   34   1HG2  THR   5          1HG2      THR   5  11.033  -6.354  -0.563
   35   2HG2  THR   5          2HG2      THR   5  11.161  -4.963  -1.643
   36   3HG2  THR   5          3HG2      THR   5  11.341  -4.746   0.112
   37    H    TYR   6           H        TYR   6   7.293  -3.332   1.259
   38    HA   TYR   6           HA       TYR   6   8.936  -1.762   3.140
   39   1HB   TYR   6          1HB       TYR   6   6.343  -3.239   3.667
   40   2HB   TYR   6          2HB       TYR   6   7.093  -1.975   4.626
   41    HD1  TYR   6           HD1      TYR   6   7.481   0.341   3.296
   42    HD2  TYR   6           HD2      TYR   6   4.825  -2.740   1.939
   43    HE1  TYR   6           HE1      TYR   6   6.244   1.977   1.909
   44    HE2  TYR   6           HE2      TYR   6   3.557  -1.093   0.647
   45    HH   TYR   6           HH       TYR   6   3.850   1.062  -0.280
   46    H    GLU   7           H        GLU   7  10.807  -3.202   3.146
   47    HA   GLU   7           HA       GLU   7  10.636  -5.948   3.705
   48   1HB   GLU   7          1HB       GLU   7  12.991  -5.754   4.500
   49   2HB   GLU   7          2HB       GLU   7  12.684  -5.161   2.867
   50   1HG   GLU   7          1HG       GLU   7  12.791  -2.835   3.615
   51   2HG   GLU   7          2HG       GLU   7  12.901  -3.347   5.310
   52    H    ASN   8           H        ASN   8  10.195  -7.129   5.493
   53    HA   ASN   8           HA       ASN   8  10.218  -6.015   8.162
   54   1HB   ASN   8          1HB       ASN   8   7.885  -5.819   8.539
   55   2HB   ASN   8          2HB       ASN   8   8.180  -4.973   7.028
   56   1HD2  ASN   8          1HD2      ASN   8   7.042  -5.541   5.269
   57   2HD2  ASN   8          2HD2      ASN   8   5.981  -6.941   5.180
   58    H    LYS   9           H        LYS   9   9.037  -7.569   9.675
   59    HA   LYS   9           HA       LYS   9  10.605  -9.948   9.364
   60   1HB   LYS   9          1HB       LYS   9  10.086  -8.377  11.449
   61   2HB   LYS   9          2HB       LYS   9   8.619  -9.320  11.576
   62   1HG   LYS   9          1HG       LYS   9  10.138 -10.302  13.087
   63   2HG   LYS   9          2HG       LYS   9  10.033 -11.412  11.722
   64   1HD   LYS   9          1HD       LYS   9  12.322 -11.251  12.391
   65   2HD   LYS   9          2HD       LYS   9  12.171 -10.456  10.818
   66   1HE   LYS   9          1HE       LYS   9  12.205  -8.224  11.908
   67   2HE   LYS   9          2HE       LYS   9  12.180  -8.981  13.509
   68   1HZ   LYS   9          1HZ       LYS   9  14.348  -9.897  13.017
   69   2HZ   LYS   9          2HZ       LYS   9  14.348  -9.195  11.525
   70   3HZ   LYS   9          3HZ       LYS   9  14.356  -8.260  12.875
   71    H    LYS  10           H        LYS  10   7.260  -9.177   8.805
   72    HA   LYS  10           HA       LYS  10   6.181 -11.808   9.433
   73   1HB   LYS  10          1HB       LYS  10   5.063  -9.733   7.503
   74   2HB   LYS  10          2HB       LYS  10   4.148 -11.033   8.245
   75   1HG   LYS  10          1HG       LYS  10   5.484  -8.884   9.916
   76   2HG   LYS  10          2HG       LYS  10   3.969  -8.560   9.117
   77   1HD   LYS  10          1HD       LYS  10   3.600  -9.218  11.405
   78   2HD   LYS  10          2HD       LYS  10   2.848 -10.382  10.302
   79   1HE   LYS  10          1HE       LYS  10   4.513 -12.037  10.791
   80   2HE   LYS  10          2HE       LYS  10   5.610 -10.833  11.521
   81   1HZ   LYS  10          1HZ       LYS  10   4.075 -10.637  13.334
   82   2HZ   LYS  10          2HZ       LYS  10   3.052 -11.740  12.656
   83   3HZ   LYS  10          3HZ       LYS  10   4.549 -12.197  13.150
   84    H    GLY  11           H        GLY  11   7.085 -10.108   6.468
   85   1HA   GLY  11          1HA       GLY  11   8.600 -12.006   5.235
   86   2HA   GLY  11          2HA       GLY  11   6.953 -12.508   4.788
   87    H    ASN  12           H        ASN  12   8.532  -9.327   5.339
   88    HA   ASN  12           HA       ASN  12   8.574  -7.412   4.083
   89   1HB   ASN  12          1HB       ASN  12   8.914  -9.586   1.995
   90   2HB   ASN  12          2HB       ASN  12   8.759  -7.930   1.484
   91   1HD2  ASN  12          1HD2      ASN  12  10.384  -9.084   4.531
   92   2HD2  ASN  12          2HD2      ASN  12  11.951  -8.479   4.023
   93    H    VAL  13           H        VAL  13   7.417  -6.367   1.977
   94    HA   VAL  13           HA       VAL  13   4.845  -7.410   1.266
   95    HB   VAL  13           HB       VAL  13   4.901  -4.744   2.751
   96   1HG1  VAL  13          1HG1      VAL  13   3.657  -4.297   0.732
   97   2HG1  VAL  13          2HG1      VAL  13   2.931  -5.910   0.754
   98   3HG1  VAL  13          3HG1      VAL  13   2.435  -4.672   1.931
   99   1HG2  VAL  13          1HG2      VAL  13   2.784  -5.760   3.804
  100   2HG2  VAL  13          2HG2      VAL  13   3.398  -7.306   3.220
  101   3HG2  VAL  13          3HG2      VAL  13   4.357  -6.289   4.344
  102    H    THR  14           H        THR  14   5.445  -7.352  -0.893
  103    HA   THR  14           HA       THR  14   6.805  -5.141  -2.117
  104    HB   THR  14           HB       THR  14   4.997  -7.184  -3.454
  105    HG1  THR  14           HG1      THR  14   7.679  -7.467  -2.580
  106   1HG2  THR  14          1HG2      THR  14   5.873  -5.447  -4.965
  107   2HG2  THR  14          2HG2      THR  14   7.524  -5.730  -4.374
  108   3HG2  THR  14          3HG2      THR  14   6.668  -6.995  -5.282
  109    H    PHE  15           H        PHE  15   5.958  -3.412  -3.322
  110    HA   PHE  15           HA       PHE  15   3.067  -3.313  -3.812
  111   1HB   PHE  15          1HB       PHE  15   2.858  -0.994  -3.117
  112   2HB   PHE  15          2HB       PHE  15   3.209  -2.055  -1.764
  113    HD1  PHE  15           HD1      PHE  15   5.690  -2.255  -0.994
  114    HD2  PHE  15           HD2      PHE  15   4.098   1.034  -3.293
  115    HE1  PHE  15           HE1      PHE  15   7.317  -0.737   0.040
  116    HE2  PHE  15           HE2      PHE  15   5.705   2.563  -2.183
  117    HZ   PHE  15           HZ       PHE  15   7.305   1.653  -0.484
  118    H    ASP  16           H        ASP  16   2.787  -2.853  -5.885
  119    HA   ASP  16           HA       ASP  16   5.055  -1.923  -7.482
  120   1HB   ASP  16          1HB       ASP  16   3.643  -3.820  -8.213
  121   2HB   ASP  16          2HB       ASP  16   2.276  -2.712  -8.401
  122    H    HIS  17           H        HIS  17   5.401   0.085  -6.958
  123    HA   HIS  17           HA       HIS  17   3.531   2.111  -6.230
  124   1HB   HIS  17          1HB       HIS  17   5.926   2.028  -5.585
  125   2HB   HIS  17          2HB       HIS  17   6.403   2.203  -7.256
  126    HD1  HIS  17           HND      HIS  17   6.375   4.587  -8.342
  127    HD2  HIS  17           HD       HIS  17   4.701   4.297  -4.500
  128    HE1  HIS  17           HE       HIS  17   6.054   6.971  -7.493
  129    H    LYS  18           H        LYS  18   5.392   1.504  -9.203
  130    HA   LYS  18           HA       LYS  18   4.397   3.596 -10.833
  131   1HB   LYS  18          1HB       LYS  18   6.373   2.530 -11.492
  132   2HB   LYS  18          2HB       LYS  18   5.694   0.899 -11.327
  133   1HG   LYS  18          1HG       LYS  18   4.393   1.142 -13.318
  134   2HG   LYS  18          2HG       LYS  18   4.699   2.898 -13.379
  135   1HD   LYS  18          1HD       LYS  18   7.056   2.543 -13.833
  136   2HD   LYS  18          2HD       LYS  18   6.946   0.840 -13.420
  137   1HE   LYS  18          1HE       LYS  18   7.080   1.203 -15.894
  138   2HE   LYS  18          2HE       LYS  18   5.650   0.294 -15.375
  139   1HZ   LYS  18          1HZ       LYS  18   5.031   1.944 -16.984
  140   2HZ   LYS  18          2HZ       LYS  18   4.351   2.300 -15.557
  141   3HZ   LYS  18          3HZ       LYS  18   5.640   3.165 -16.050
  142    H    ALA  19           H        ALA  19   3.364   0.115 -10.652
  143    HA   ALA  19           HA       ALA  19   1.222   0.300 -12.454
  144   1HB   ALA  19          1HB       ALA  19   1.927  -1.821 -11.472
  145   2HB   ALA  19          2HB       ALA  19   1.383  -1.230  -9.863
  146   3HB   ALA  19          3HB       ALA  19   0.201  -1.545 -11.148
  147    H    HIS  20           H        HIS  20   1.076   0.746  -8.839
  148    HA   HIS  20           HA       HIS  20  -1.722   1.355  -8.775
  149   1HB   HIS  20          1HB       HIS  20   0.585   2.102  -6.939
  150   2HB   HIS  20          2HB       HIS  20  -1.061   2.641  -6.661
  151    HD1  HIS  20           HND      HIS  20   0.796  -0.720  -6.975
  152    HD2  HIS  20           HD       HIS  20  -2.521   1.079  -5.133
  153    HE1  HIS  20           HE       HIS  20  -0.191  -2.450  -5.376
  154    H    ALA  21           H        ALA  21   1.181   3.261  -9.409
  155    HA   ALA  21           HA       ALA  21  -0.083   5.846  -9.351
  156   1HB   ALA  21          1HB       ALA  21   1.831   6.709 -10.449
  157   2HB   ALA  21          2HB       ALA  21   2.389   5.497  -9.256
  158   3HB   ALA  21          3HB       ALA  21   2.374   5.115 -10.980
  159    H    GLU  22           H        GLU  22   0.643   3.768 -12.198
  160    HA   GLU  22           HA       GLU  22  -0.697   5.712 -13.915
  161   1HB   GLU  22          1HB       GLU  22  -0.159   4.272 -15.778
  162   2HB   GLU  22          2HB       GLU  22   1.214   4.627 -14.731
  163   1HG   GLU  22          1HG       GLU  22   0.729   2.282 -13.662
  164   2HG   GLU  22          2HG       GLU  22  -0.238   1.994 -15.113
  165    H    LYS  23           H        LYS  23  -1.586   2.495 -12.624
  166    HA   LYS  23           HA       LYS  23  -4.084   2.169 -13.826
  167   1HB   LYS  23          1HB       LYS  23  -3.120   1.517 -11.011
  168   2HB   LYS  23          2HB       LYS  23  -4.540   0.800 -11.761
  169   1HG   LYS  23          1HG       LYS  23  -1.906   0.598 -13.275
  170   2HG   LYS  23          2HG       LYS  23  -2.081  -0.353 -11.811
  171   1HD   LYS  23          1HD       LYS  23  -4.349  -0.384 -13.739
  172   2HD   LYS  23          2HD       LYS  23  -2.830  -1.150 -14.257
  173   1HE   LYS  23          1HE       LYS  23  -2.726  -2.556 -12.251
  174   2HE   LYS  23          2HE       LYS  23  -4.129  -1.738 -11.543
  175   1HZ   LYS  23          1HZ       LYS  23  -4.392  -3.368 -13.999
  176   2HZ   LYS  23          2HZ       LYS  23  -4.511  -3.920 -12.418
  177   3HZ   LYS  23          3HZ       LYS  23  -5.553  -2.867 -12.872
  178    H    LEU  24           H        LEU  24  -3.272   3.845 -10.731
  179    HA   LEU  24           HA       LEU  24  -6.097   4.667 -10.444
  180   1HB   LEU  24          1HB       LEU  24  -3.779   5.175  -8.568
  181   2HB   LEU  24          2HB       LEU  24  -5.499   5.300  -8.224
  182    HG   LEU  24           HG       LEU  24  -4.185   2.643  -8.989
  183   1HD1  LEU  24          1HD1      LEU  24  -4.250   2.203  -6.523
  184   2HD1  LEU  24          2HD1      LEU  24  -3.080   3.437  -7.027
  185   3HD1  LEU  24          3HD1      LEU  24  -4.585   3.941  -6.287
  186   1HD2  LEU  24          1HD2      LEU  24  -6.855   3.350  -7.703
  187   2HD2  LEU  24          2HD2      LEU  24  -6.602   2.670  -9.324
  188   3HD2  LEU  24          3HD2      LEU  24  -6.201   1.707  -7.896
  189    H    GLY  25           H        GLY  25  -2.848   6.274 -10.613
  190   1HA   GLY  25          1HA       GLY  25  -3.042   8.173 -12.236
  191   2HA   GLY  25          2HA       GLY  25  -4.116   8.938 -11.044
  192    H    CYS  26           H        CYS  26  -3.219   9.011  -8.845
  193    HA   CYS  26           HA       CYS  26  -0.579   8.910  -7.979
  194   1HB   CYS  26          1HB       CYS  26  -0.556  10.861  -9.974
  195   2HB   CYS  26          2HB       CYS  26  -1.065  11.808  -8.601
  196    H    ASP  27           H        ASP  27  -3.404  10.899  -8.269
  197    HA   ASP  27           HA       ASP  27  -3.562  12.387  -5.962
  198   1HB   ASP  27          1HB       ASP  27  -5.972  11.046  -7.276
  199   2HB   ASP  27          2HB       ASP  27  -5.867  12.652  -6.552
  200    H    ALA  28           H        ALA  28  -4.508   9.138  -6.657
  201    HA   ALA  28           HA       ALA  28  -5.962   8.159  -4.597
  202   1HB   ALA  28          1HB       ALA  28  -5.274   6.869  -6.537
  203   2HB   ALA  28          2HB       ALA  28  -3.575   6.896  -6.013
  204   3HB   ALA  28          3HB       ALA  28  -4.780   6.002  -5.066
  205    H    CYS  29           H        CYS  29  -2.455   8.811  -4.516
  206    HA   CYS  29           HA       CYS  29  -2.410   8.101  -1.587
  207   1HB   CYS  29          1HB       CYS  29  -0.221   7.722  -3.617
  208   2HB   CYS  29          2HB       CYS  29  -0.168   7.295  -1.896
  209    H    HIS  30           H        HIS  30  -1.125  10.247  -4.178
  210    HA   HIS  30           HA       HIS  30   0.330  11.802  -2.053
  211   1HB   HIS  30          1HB       HIS  30   0.805  11.492  -5.019
  212   2HB   HIS  30          2HB       HIS  30   1.662  12.619  -3.984
  213    HD1  HIS  30           HND      HIS  30   3.069  11.386  -1.897
  214    HD2  HIS  30           HD       HIS  30   2.007   9.255  -5.305
  215    HE1  HIS  30           HE       HIS  30   4.831   9.445  -2.199
  216    H    GLU  31           H        GLU  31  -1.672  12.862  -1.504
  217    HA   GLU  31           HA       GLU  31  -2.889  14.700  -3.416
  218   1HB   GLU  31          1HB       GLU  31  -3.102  15.032  -0.377
  219   2HB   GLU  31          2HB       GLU  31  -4.217  15.483  -1.665
  220   1HG   GLU  31          1HG       GLU  31  -4.411  12.995  -2.136
  221   2HG   GLU  31          2HG       GLU  31  -3.582  12.700  -0.603
  222    H    GLY  32           H        GLY  32  -1.077  15.168  -0.476
  223   1HA   GLY  32          1HA       GLY  32  -0.707  17.960  -0.730
  224   2HA   GLY  32          2HA       GLY  32   0.192  16.924   0.388
  225    H    THR  33           H        THR  33   1.993  15.567  -0.740
  226    HA   THR  33           HA       THR  33   3.148  16.573  -3.143
  227    HB   THR  33           HB       THR  33   3.802  18.475  -1.753
  228    HG1  THR  33           HG1      THR  33   5.352  17.944  -3.172
  229   1HG2  THR  33          1HG2      THR  33   3.723  17.401   0.500
  230   2HG2  THR  33          2HG2      THR  33   5.212  16.514   0.109
  231   3HG2  THR  33          3HG2      THR  33   5.228  18.280   0.195
  232    HA   PRO  34           HA       PRO  34   4.712  12.440  -2.275
  233   1HB   PRO  34          1HB       PRO  34   5.962  11.821  -4.559
  234   2HB   PRO  34          2HB       PRO  34   4.217  12.168  -4.587
  235   1HG   PRO  34          1HG       PRO  34   6.468  14.100  -5.145
  236   2HG   PRO  34          2HG       PRO  34   5.040  13.739  -6.167
  237   1HD   PRO  34          1HD       PRO  34   5.090  15.876  -4.465
  238   2HD   PRO  34          2HD       PRO  34   3.594  14.933  -4.753
  239    H    ALA  35           H        ALA  35   5.960  14.158  -0.735
  240    HA   ALA  35           HA       ALA  35   8.892  13.934  -1.134
  241   1HB   ALA  35          1HB       ALA  35   7.209  14.958   1.181
  242   2HB   ALA  35          2HB       ALA  35   8.978  15.109   1.014
  243   3HB   ALA  35          3HB       ALA  35   7.897  15.937  -0.135
  244    H    LYS  36           H        LYS  36   7.829  11.528  -1.440
  245    HA   LYS  36           HA       LYS  36   7.110   9.595  -0.784
  246   1HB   LYS  36          1HB       LYS  36   8.687   8.246   0.331
  247   2HB   LYS  36          2HB       LYS  36   9.385   9.435  -0.795
  248   1HG   LYS  36          1HG       LYS  36  10.439  10.616   0.964
  249   2HG   LYS  36          2HG       LYS  36   9.526   9.758   2.218
  250   1HD   LYS  36          1HD       LYS  36  11.932   8.906   1.802
  251   2HD   LYS  36          2HD       LYS  36  10.659   7.668   1.764
  252   1HE   LYS  36          1HE       LYS  36  10.599   7.773  -0.726
  253   2HE   LYS  36          2HE       LYS  36  11.816   9.046  -0.708
  254   1HZ   LYS  36          1HZ       LYS  36  11.806   6.170  -0.318
  255   2HZ   LYS  36          2HZ       LYS  36  12.702   7.091  -1.315
  256   3HZ   LYS  36          3HZ       LYS  36  13.147   7.019   0.287
  257    H    ILE  37           H        ILE  37   6.905   7.958   1.214
  258    HA   ILE  37           HA       ILE  37   5.045   9.400   3.096
  259    HB   ILE  37           HB       ILE  37   4.385   6.689   1.975
  260   1HG1  ILE  37          1HG1      ILE  37   3.842   9.364   0.662
  261   2HG1  ILE  37          2HG1      ILE  37   4.664   7.936  -0.003
  262   1HG2  ILE  37          1HG2      ILE  37   3.204   7.628   4.001
  263   2HG2  ILE  37          2HG2      ILE  37   2.660   8.991   3.006
  264   3HG2  ILE  37          3HG2      ILE  37   2.114   7.343   2.644
  265   1HD1  ILE  37          1HD1      ILE  37   2.468   8.046  -0.986
  266   2HD1  ILE  37          2HD1      ILE  37   2.433   6.708   0.176
  267   3HD1  ILE  37          3HD1      ILE  37   1.690   8.272   0.580
  268    H    ALA  38           H        ALA  38   6.859   6.494   2.525
  269    HA   ALA  38           HA       ALA  38   7.877   4.956   3.884
  270   1HB   ALA  38          1HB       ALA  38   8.815   5.634   6.002
  271   2HB   ALA  38          2HB       ALA  38   9.096   6.915   4.786
  272   3HB   ALA  38          3HB       ALA  38   7.835   7.104   6.036
  273    H    ILE  39           H        ILE  39   5.324   4.529   3.514
  274    HA   ILE  39           HA       ILE  39   3.756   4.089   5.931
  275    HB   ILE  39           HB       ILE  39   3.817   2.793   3.162
  276   1HG1  ILE  39          1HG1      ILE  39   3.164   5.112   3.099
  277   2HG1  ILE  39          2HG1      ILE  39   1.809   4.048   2.768
  278   1HG2  ILE  39          1HG2      ILE  39   1.539   1.916   3.840
  279   2HG2  ILE  39          2HG2      ILE  39   2.912   1.127   4.600
  280   3HG2  ILE  39          3HG2      ILE  39   1.975   2.328   5.512
  281   1HD1  ILE  39          1HD1      ILE  39   1.107   4.419   5.230
  282   2HD1  ILE  39          2HD1      ILE  39   2.337   5.693   5.277
  283   3HD1  ILE  39          3HD1      ILE  39   0.976   5.815   4.154
  284    H    ASP  40           H        ASP  40   4.359   2.896   7.475
  285    HA   ASP  40           HA       ASP  40   5.126   0.105   6.890
  286   1HB   ASP  40          1HB       ASP  40   6.864   0.030   8.524
  287   2HB   ASP  40          2HB       ASP  40   7.204   1.364   7.464
  288    H    LYS  41           H        LYS  41   5.188  -0.926   9.316
  289    HA   LYS  41           HA       LYS  41   3.152  -1.611  10.591
  290   1HB   LYS  41          1HB       LYS  41   4.395  -1.154  12.775
  291   2HB   LYS  41          2HB       LYS  41   5.021  -2.251  11.562
  292   1HG   LYS  41          1HG       LYS  41   6.516  -0.386  10.701
  293   2HG   LYS  41          2HG       LYS  41   5.828   0.702  11.892
  294   1HD   LYS  41          1HD       LYS  41   8.024  -0.108  12.457
  295   2HD   LYS  41          2HD       LYS  41   6.824  -0.625  13.663
  296   1HE   LYS  41          1HE       LYS  41   8.574  -2.399  12.956
  297   2HE   LYS  41          2HE       LYS  41   6.877  -2.869  12.948
  298   1HZ   LYS  41          1HZ       LYS  41   7.807  -3.686  11.072
  299   2HZ   LYS  41          2HZ       LYS  41   6.855  -2.512  10.527
  300   3HZ   LYS  41          3HZ       LYS  41   8.457  -2.275  10.493
  301    H    LYS  42           H        LYS  42   1.387  -0.837  11.073
  302    HA   LYS  42           HA       LYS  42  -0.241   0.276  12.255
  303   1HB   LYS  42          1HB       LYS  42   1.581   2.667  12.708
  304   2HB   LYS  42          2HB       LYS  42  -0.002   2.353  13.403
  305   1HG   LYS  42          1HG       LYS  42   0.816   0.382  14.601
  306   2HG   LYS  42          2HG       LYS  42   2.387   0.493  13.832
  307   1HD   LYS  42          1HD       LYS  42   2.815   1.332  15.893
  308   2HD   LYS  42          2HD       LYS  42   2.723   2.761  14.853
  309   1HE   LYS  42          1HE       LYS  42   0.424   3.221  15.680
  310   2HE   LYS  42          2HE       LYS  42   0.436   1.711  16.610
  311   1HZ   LYS  42          1HZ       LYS  42   2.214   4.010  17.085
  312   2HZ   LYS  42          2HZ       LYS  42   0.916   3.581  18.001
  313   3HZ   LYS  42          3HZ       LYS  42   2.229   2.597  17.931
  314    H    SER  43           H        SER  43   1.615   2.775  10.255
  315    HA   SER  43           HA       SER  43  -0.712   3.995   9.287
  316   1HB   SER  43          1HB       SER  43   1.972   3.716   7.882
  317   2HB   SER  43          2HB       SER  43   0.747   4.983   7.631
  318    HG   SER  43           HG       SER  43   1.085   5.629   9.786
  319    H    ALA  44           H        ALA  44   1.284   1.479   7.780
  320    HA   ALA  44           HA       ALA  44   0.145   0.804   5.428
  321   1HB   ALA  44          1HB       ALA  44   0.728  -1.503   5.959
  322   2HB   ALA  44          2HB       ALA  44   2.032  -0.354   6.364
  323   3HB   ALA  44          3HB       ALA  44   1.031  -1.057   7.651
  324    H    HIS  45           H        HIS  45  -0.985  -0.429   8.546
  325    HA   HIS  45           HA       HIS  45  -3.282  -1.812   7.356
  326   1HB   HIS  45          1HB       HIS  45  -2.221  -1.460  10.190
  327   2HB   HIS  45          2HB       HIS  45  -3.686  -2.345   9.799
  328    HD1  HIS  45           HND      HIS  45  -2.261  -4.167  11.222
  329    HD2  HIS  45           HD       HIS  45  -0.981  -3.370   7.282
  330    HE1  HIS  45           HE       HIS  45  -0.917  -6.168  10.475
  331    H    LYS  46           H        LYS  46  -2.590   1.187   9.102
  332    HA   LYS  46           HA       LYS  46  -5.234   1.532  10.175
  333   1HB   LYS  46          1HB       LYS  46  -3.258   2.306  11.285
  334   2HB   LYS  46          2HB       LYS  46  -2.807   3.350   9.942
  335   1HG   LYS  46          1HG       LYS  46  -5.380   3.727  11.529
  336   2HG   LYS  46          2HG       LYS  46  -3.808   4.388  12.035
  337   1HD   LYS  46          1HD       LYS  46  -3.644   5.427   9.717
  338   2HD   LYS  46          2HD       LYS  46  -5.388   5.088   9.559
  339   1HE   LYS  46          1HE       LYS  46  -5.798   6.486  11.593
  340   2HE   LYS  46          2HE       LYS  46  -4.057   6.836  11.664
  341   1HZ   LYS  46          1HZ       LYS  46  -4.276   7.729   9.383
  342   2HZ   LYS  46          2HZ       LYS  46  -5.882   7.572   9.472
  343   3HZ   LYS  46          3HZ       LYS  46  -5.116   8.606  10.505
  344    H    ASP  47           H        ASP  47  -3.419   3.455   7.713
  345    HA   ASP  47           HA       ASP  47  -6.011   3.988   6.312
  346   1HB   ASP  47          1HB       ASP  47  -5.191   6.309   5.902
  347   2HB   ASP  47          2HB       ASP  47  -5.681   5.960   7.545
  348    H    ALA  48           H        ALA  48  -2.693   3.000   5.900
  349    HA   ALA  48           HA       ALA  48  -2.502   4.128   3.285
  350   1HB   ALA  48          1HB       ALA  48  -0.422   3.342   3.208
  351   2HB   ALA  48          2HB       ALA  48  -0.667   3.108   4.955
  352   3HB   ALA  48          3HB       ALA  48  -0.832   1.751   3.830
  353    H    CYS  49           H        CYS  49  -2.563   0.597   3.946
  354    HA   CYS  49           HA       CYS  49  -3.538   0.148   1.215
  355   1HB   CYS  49          1HB       CYS  49  -2.742  -1.974   3.141
  356   2HB   CYS  49          2HB       CYS  49  -2.560  -1.939   1.391
  357    H    LYS  50           H        LYS  50  -4.408  -0.879   4.545
  358    HA   LYS  50           HA       LYS  50  -6.595  -2.519   3.584
  359   1HB   LYS  50          1HB       LYS  50  -5.762  -1.749   6.402
  360   2HB   LYS  50          2HB       LYS  50  -6.982  -2.964   6.012
  361   1HG   LYS  50          1HG       LYS  50  -5.292  -4.240   4.724
  362   2HG   LYS  50          2HG       LYS  50  -4.056  -3.074   5.267
  363   1HD   LYS  50          1HD       LYS  50  -4.593  -3.668   7.639
  364   2HD   LYS  50          2HD       LYS  50  -5.764  -4.873   7.068
  365   1HE   LYS  50          1HE       LYS  50  -4.026  -6.087   5.857
  366   2HE   LYS  50          2HE       LYS  50  -2.844  -4.805   6.197
  367   1HZ   LYS  50          1HZ       LYS  50  -3.832  -6.827   8.051
  368   2HZ   LYS  50          2HZ       LYS  50  -2.281  -6.369   7.673
  369   3HZ   LYS  50          3HZ       LYS  50  -3.203  -5.393   8.584
  370    H    THR  51           H        THR  51  -7.079   0.090   2.769
  371    HA   THR  51           HA       THR  51  -9.756   0.473   3.981
  372    HB   THR  51           HB       THR  51  -8.477   2.181   5.050
  373    HG1  THR  51           HG1      THR  51  -9.928   3.462   3.001
  374   1HG2  THR  51          1HG2      THR  51  -6.591   2.482   3.430
  375   2HG2  THR  51          2HG2      THR  51  -7.692   3.398   2.367
  376   3HG2  THR  51          3HG2      THR  51  -7.345   3.981   3.988
  377    H    CYS  52           H        CYS  52  -7.585   1.648   1.387
  378    HA   CYS  52           HA       CYS  52  -9.327   1.626  -0.818
  379   1HB   CYS  52          1HB       CYS  52  -6.393   1.281  -0.276
  380   2HB   CYS  52          2HB       CYS  52  -7.005   0.576  -1.764
  381    H    HIS  53           H        HIS  53  -7.152  -1.009   0.331
  382    HA   HIS  53           HA       HIS  53  -8.121  -2.861  -1.613
  383   1HB   HIS  53          1HB       HIS  53  -6.628  -3.184   1.009
  384   2HB   HIS  53          2HB       HIS  53  -7.138  -4.550   0.010
  385    HD1  HIS  53           HND      HIS  53  -4.594  -5.175  -0.199
  386    HD2  HIS  53           HD       HIS  53  -5.721  -1.560  -2.065
  387    HE1  HIS  53           HE       HIS  53  -2.744  -4.520  -1.766
  388    H    LYS  54           H        LYS  54  -9.201  -2.081   1.683
  389    HA   LYS  54           HA       LYS  54 -11.153  -4.277   1.803
  390   1HB   LYS  54          1HB       LYS  54 -10.561  -1.955   3.630
  391   2HB   LYS  54          2HB       LYS  54 -11.856  -3.131   3.868
  392   1HG   LYS  54          1HG       LYS  54 -10.017  -4.983   3.625
  393   2HG   LYS  54          2HG       LYS  54  -8.867  -3.649   3.699
  394   1HD   LYS  54          1HD       LYS  54  -8.916  -4.243   5.887
  395   2HD   LYS  54          2HD       LYS  54 -10.136  -2.970   5.879
  396   1HE   LYS  54          1HE       LYS  54 -10.591  -6.012   5.823
  397   2HE   LYS  54          2HE       LYS  54 -10.808  -4.959   7.226
  398   1HZ   LYS  54          1HZ       LYS  54 -12.895  -5.442   6.215
  399   2HZ   LYS  54          2HZ       LYS  54 -12.577  -3.840   6.019
  400   3HZ   LYS  54          3HZ       LYS  54 -12.401  -4.877   4.754
  401    H    SER  55           H        SER  55 -11.702  -3.288  -0.441
  402    HA   SER  55           HA       SER  55 -14.362  -2.407  -0.524
  403   1HB   SER  55          1HB       SER  55 -12.298  -0.195  -0.980
  404   2HB   SER  55          2HB       SER  55 -13.885  -0.194  -1.770
  405    HG   SER  55           HG       SER  55 -13.540  -0.394   1.034
  406    H    ASN  56           H        ASN  56 -11.201  -1.999  -2.207
  407    HA   ASN  56           HA       ASN  56 -12.279  -2.742  -4.792
  408   1HB   ASN  56          1HB       ASN  56  -9.432  -2.551  -3.727
  409   2HB   ASN  56          2HB       ASN  56  -9.834  -3.013  -5.383
  410   1HD2  ASN  56          1HD2      ASN  56  -9.952  -0.304  -3.055
  411   2HD2  ASN  56          2HD2      ASN  56 -10.207   0.917  -4.293
  412    H    ASN  57           H        ASN  57 -10.753  -4.608  -2.156
  413    HA   ASN  57           HA       ASN  57 -10.859  -7.088  -3.825
  414   1HB   ASN  57          1HB       ASN  57  -8.565  -6.242  -3.616
  415   2HB   ASN  57          2HB       ASN  57  -8.756  -6.093  -1.862
  416   1HD2  ASN  57          1HD2      ASN  57  -8.773  -8.512  -4.538
  417   2HD2  ASN  57          2HD2      ASN  57  -8.251  -9.841  -3.520
  418    H    GLY  58           H        GLY  58 -11.158  -9.045  -2.683
  419   1HA   GLY  58          1HA       GLY  58 -12.589  -8.859  -0.060
  420   2HA   GLY  58          2HA       GLY  58 -12.731 -10.115  -1.275
  421    HA   PRO  59           HA       PRO  59  -8.554 -11.047   1.000
  422   1HB   PRO  59          1HB       PRO  59  -8.230 -10.044   3.516
  423   2HB   PRO  59          2HB       PRO  59  -7.765  -9.128   2.054
  424   1HG   PRO  59          1HG       PRO  59 -10.361  -8.910   3.611
  425   2HG   PRO  59          2HG       PRO  59  -9.253  -7.581   3.145
  426   1HD   PRO  59          1HD       PRO  59 -11.435  -8.177   1.664
  427   2HD   PRO  59          2HD       PRO  59  -9.898  -7.741   0.862
  428    H    THR  60           H        THR  60  -8.233 -12.388   3.128
  429    HA   THR  60           HA       THR  60 -10.746 -13.434   4.260
  430    HB   THR  60           HB       THR  60  -8.966 -15.120   2.448
  431    HG1  THR  60           HG1      THR  60 -11.182 -13.685   2.018
  432   1HG2  THR  60          1HG2      THR  60 -10.588 -16.939   2.908
  433   2HG2  THR  60          2HG2      THR  60  -9.684 -16.493   4.363
  434   3HG2  THR  60          3HG2      THR  60 -11.359 -15.936   4.153
  435    H    LYS  61           H        LYS  61  -7.209 -14.124   3.906
  436    HA   LYS  61           HA       LYS  61  -6.913 -13.972   6.806
  437   1HB   LYS  61          1HB       LYS  61  -6.149 -16.211   7.199
  438   2HB   LYS  61          2HB       LYS  61  -7.817 -16.194   6.661
  439   1HG   LYS  61          1HG       LYS  61  -7.330 -17.713   5.099
  440   2HG   LYS  61          2HG       LYS  61  -6.331 -16.515   4.280
  441   1HD   LYS  61          1HD       LYS  61  -4.461 -17.238   6.015
  442   2HD   LYS  61          2HD       LYS  61  -5.535 -18.588   6.379
  443   1HE   LYS  61          1HE       LYS  61  -3.910 -19.346   4.782
  444   2HE   LYS  61          2HE       LYS  61  -5.457 -19.234   3.929
  445   1HZ   LYS  61          1HZ       LYS  61  -3.334 -17.169   3.883
  446   2HZ   LYS  61          2HZ       LYS  61  -3.586 -18.284   2.695
  447   3HZ   LYS  61          3HZ       LYS  61  -4.717 -17.133   3.013
  448    H    CYS  62           H        CYS  62  -5.565 -12.341   6.367
  449    HA   CYS  62           HA       CYS  62  -3.904 -11.122   5.539
  450   1HB   CYS  62          1HB       CYS  62  -2.216 -13.494   6.344
  451   2HB   CYS  62          2HB       CYS  62  -1.732 -11.785   6.337
  452    H    GLY  63           H        GLY  63  -1.343 -12.613   4.453
  453   1HA   GLY  63          1HA       GLY  63  -0.589 -13.636   2.556
  454   2HA   GLY  63          2HA       GLY  63  -2.257 -14.017   2.122
  455    H    GLY  64           H        GLY  64  -3.288 -11.418   1.919
  456   1HA   GLY  64          1HA       GLY  64  -3.087 -10.773  -0.677
  457   2HA   GLY  64          2HA       GLY  64  -3.461  -9.578   0.580
  458    H    CYS  65           H        CYS  65  -0.790  -9.647   1.762
  459    HA   CYS  65           HA       CYS  65   0.675  -7.997  -0.269
  460   1HB   CYS  65          1HB       CYS  65   0.234  -7.248   2.596
  461   2HB   CYS  65          2HB       CYS  65   0.834  -6.222   1.295
  462    H    HIS  66           H        HIS  66   0.901  -9.346   3.083
  463    HA   HIS  66           HA       HIS  66   3.789  -9.660   2.934
  464   1HB   HIS  66          1HB       HIS  66   1.777 -11.107   4.716
  465   2HB   HIS  66          2HB       HIS  66   3.523 -11.057   4.917
  466    HD1  HIS  66           HND      HIS  66   4.509  -8.404   5.300
  467    HD2  HIS  66           HD       HIS  66   0.447  -9.225   6.012
  468    HE1  HIS  66           HE       HIS  66   3.612  -6.590   6.893
  469    H    ILE  67           H        ILE  67   4.798 -11.206   1.699
  470    HA   ILE  67           HA       ILE  67   3.221 -13.284   0.413
  471    HB   ILE  67           HB       ILE  67   6.233 -12.905   0.423
  472   1HG1  ILE  67          1HG1      ILE  67   5.326 -10.787  -0.279
  473   2HG1  ILE  67          2HG1      ILE  67   5.941 -11.646  -1.679
  474   1HG2  ILE  67          1HG2      ILE  67   4.339 -14.315  -1.512
  475   2HG2  ILE  67          2HG2      ILE  67   6.059 -13.998  -1.823
  476   3HG2  ILE  67          3HG2      ILE  67   5.583 -15.067  -0.504
  477   1HD1  ILE  67          1HD1      ILE  67   2.997 -11.392  -0.903
  478   2HD1  ILE  67          2HD1      ILE  67   3.835 -10.539  -2.203
  479   3HD1  ILE  67          3HD1      ILE  67   3.612 -12.291  -2.310
  480    H    LYS  68           H        LYS  68   2.453 -14.041   2.664
  481    HA   LYS  68           HA       LYS  68   3.500 -16.631   3.098
  482   1HB   LYS  68          1HB       LYS  68   4.144 -16.372   5.480
  483   2HB   LYS  68          2HB       LYS  68   5.259 -15.540   4.422
  484   1HG   LYS  68          1HG       LYS  68   4.910 -13.604   5.408
  485   2HG   LYS  68          2HG       LYS  68   3.181 -13.641   5.120
  486   1HD   LYS  68          1HD       LYS  68   4.545 -15.017   7.492
  487   2HD   LYS  68          2HD       LYS  68   3.926 -13.375   7.500
  488   1HE   LYS  68          1HE       LYS  68   2.196 -14.575   8.498
  489   2HE   LYS  68          2HE       LYS  68   1.629 -14.251   6.853
  490   1HZ   LYS  68          1HZ       LYS  68   2.143 -16.495   6.270
  491   2HZ   LYS  68          2HZ       LYS  68   2.802 -16.818   7.743
  492   3HZ   LYS  68          3HZ       LYS  68   1.190 -16.499   7.563
  493    HHA  HEC  69           HCM      HEC  69   8.228   7.229  -2.096
  494    HHB  HEC  69           HDM      HEC  69   6.568  10.789  -7.105
  495    HHC  HEC  69           HAM      HEC  69   1.265   7.185  -7.734
  496    HHD  HEC  69           HBM      HEC  69   2.361   4.865  -1.891
  497   1HMA  HEC  69          HM81      HEC  69   8.948  10.734  -6.953
  498   2HMA  HEC  69          HM82      HEC  69   8.541  11.867  -5.632
  499   3HMA  HEC  69          HM83      HEC  69   9.989  10.852  -5.532
  500   1HAA  HEC  69          HP71      HEC  69  10.256  10.010  -3.383
  501   2HAA  HEC  69          HP72      HEC  69   9.914   8.456  -2.635
  502   1HBA  HEC  69          HP73      HEC  69  10.716   7.215  -4.481
  503   2HBA  HEC  69          HP74      HEC  69  10.970   8.680  -5.439
  504   1HMB  HEC  69          HM11      HEC  69   3.830  11.805  -9.143
  505   2HMB  HEC  69          HM12      HEC  69   5.524  11.600  -8.747
  506   3HMB  HEC  69          HM13      HEC  69   4.848  10.697 -10.104
  507    HAB  HEC  69          HT2A      HEC  69   1.197   8.711  -9.223
  508   1HBB  HEC  69          HT21      HEC  69   2.835   9.137 -11.102
  509   2HBB  HEC  69          HT22      HEC  69   1.240   9.881 -11.227
  510   3HBB  HEC  69          HT23      HEC  69   2.612  10.874 -10.774
  511   1HMC  HEC  69          HM31      HEC  69  -1.238   5.170  -5.777
  512   2HMC  HEC  69          HM32      HEC  69  -0.803   6.652  -6.627
  513   3HMC  HEC  69          HM33      HEC  69  -0.182   5.077  -7.188
  514    HAC  HEC  69          HT4A      HEC  69   0.314   4.654  -2.257
  515   1HBC  HEC  69          HT41      HEC  69   0.459   2.712  -3.890
  516   2HBC  HEC  69          HT42      HEC  69  -0.989   2.819  -2.875
  517   3HBC  HEC  69          HT43      HEC  69  -1.072   3.308  -4.562
  518   1HMD  HEC  69          HM51      HEC  69   3.759   3.611  -0.628
  519   2HMD  HEC  69          HM52      HEC  69   5.204   3.814   0.358
  520   3HMD  HEC  69          HM53      HEC  69   3.792   4.861   0.624
  521   1HAD  HEC  69          HP61      HEC  69   7.949   6.383  -0.122
  522   2HAD  HEC  69          HP62      HEC  69   6.909   5.282   0.686
  523   1HBD  HEC  69          HP63      HEC  69   8.604   3.848   0.217
  524   2HBD  HEC  69          HP64      HEC  69   7.716   3.662  -1.305
  525    HHA  HEC  70           HCM      HEC  70  -3.393  -5.159  -6.624
  526    HHB  HEC  70           HDM      HEC  70   0.557  -4.243  -1.643
  527    HHC  HEC  70           HAM      HEC  70  -2.265   1.380  -0.488
  528    HHD  HEC  70           HBM      HEC  70  -6.383   0.301  -5.208
  529   1HMA  HEC  70          HM81      HEC  70   1.452  -5.893  -3.057
  530   2HMA  HEC  70          HM82      HEC  70   0.170  -7.029  -2.566
  531   3HMA  HEC  70          HM83      HEC  70   0.855  -7.096  -4.203
  532   1HAA  HEC  70          HP71      HEC  70  -1.229  -7.816  -5.017
  533   2HAA  HEC  70          HP72      HEC  70  -2.596  -7.151  -5.880
  534   1HBA  HEC  70          HP73      HEC  70  -1.081  -6.237  -7.607
  535   2HBA  HEC  70          HP74      HEC  70   0.312  -6.877  -6.717
  536   1HMB  HEC  70          HM11      HEC  70   1.383  -2.035   1.251
  537   2HMB  HEC  70          HM12      HEC  70   0.528  -3.537   0.871
  538   3HMB  HEC  70          HM13      HEC  70   1.865  -2.987  -0.160
  539    HAB  HEC  70          HT2A      HEC  70  -1.092   0.955   1.109
  540   1HBB  HEC  70          HT21      HEC  70   1.707   0.133   1.669
  541   2HBB  HEC  70          HT22      HEC  70   1.345   1.021   0.170
  542   3HBB  HEC  70          HT23      HEC  70   0.924   1.714   1.731
  543   1HMC  HEC  70          HM31      HEC  70  -4.476   3.105  -0.512
  544   2HMC  HEC  70          HM32      HEC  70  -2.987   3.458  -1.419
  545   3HMC  HEC  70          HM33      HEC  70  -4.542   4.024  -2.024
  546    HAC  HEC  70          HT4A      HEC  70  -7.263   1.667  -3.774
  547   1HBC  HEC  70          HT41      HEC  70  -5.671   4.203  -4.116
  548   2HBC  HEC  70          HT42      HEC  70  -6.382   3.147  -5.374
  549   3HBC  HEC  70          HT43      HEC  70  -7.432   4.091  -4.316
  550   1HMD  HEC  70          HM51      HEC  70  -7.910  -2.476  -7.137
  551   2HMD  HEC  70          HM52      HEC  70  -7.817  -1.051  -6.127
  552   3HMD  HEC  70          HM53      HEC  70  -7.188  -0.972  -7.777
  553   1HAD  HEC  70          HP61      HEC  70  -4.413  -4.138  -8.512
  554   2HAD  HEC  70          HP62      HEC  70  -5.870  -4.919  -7.888
  555   1HBD  HEC  70          HP63      HEC  70  -7.284  -3.349  -9.005
  556   2HBD  HEC  70          HP64      HEC  70  -5.951  -2.188  -9.203
  557    HHA  HEC  71           HCM      HEC  71   3.904  -3.959   9.027
  558    HHB  HEC  71           HDM      HEC  71   0.604  -8.897  11.426
  559    HHC  HEC  71           HAM      HEC  71  -2.752  -9.242   6.000
  560    HHD  HEC  71           HBM      HEC  71   0.386  -4.194   3.734
  561   1HMA  HEC  71          HM81      HEC  71   1.881  -8.157  13.031
  562   2HMA  HEC  71          HM82      HEC  71   3.523  -7.479  13.089
  563   3HMA  HEC  71          HM83      HEC  71   2.127  -6.460  13.455
  564   1HAA  HEC  71          HP71      HEC  71   4.851  -4.483  10.892
  565   2HAA  HEC  71          HP72      HEC  71   4.539  -5.310  12.409
  566   1HBA  HEC  71          HP73      HEC  71   5.350  -7.399  11.500
  567   2HBA  HEC  71          HP74      HEC  71   5.474  -6.674   9.872
  568   1HMB  HEC  71          HM11      HEC  71  -1.711 -10.303  11.723
  569   2HMB  HEC  71          HM12      HEC  71  -1.828 -11.655  10.575
  570   3HMB  HEC  71          HM13      HEC  71  -0.244 -11.072  11.068
  571    HAB  HEC  71          HT2A      HEC  71  -3.928 -10.170   7.573
  572   1HBB  HEC  71          HT21      HEC  71  -4.516  -9.285   9.782
  573   2HBB  HEC  71          HT22      HEC  71  -5.301 -10.822   9.387
  574   3HBB  HEC  71          HT23      HEC  71  -3.954 -10.794  10.524
  575   1HMC  HEC  71          HM31      HEC  71  -2.830  -9.134   3.605
  576   2HMC  HEC  71          HM32      HEC  71  -4.129  -8.076   4.198
  577   3HMC  HEC  71          HM33      HEC  71  -3.369  -7.772   2.629
  578    HAC  HEC  71          HT4A      HEC  71  -1.212  -4.517   2.445
  579   1HBC  HEC  71          HT41      HEC  71  -3.362  -4.238   1.536
  580   2HBC  HEC  71          HT42      HEC  71  -4.027  -5.616   2.442
  581   3HBC  HEC  71          HT43      HEC  71  -3.473  -4.161   3.292
  582   1HMD  HEC  71          HM51      HEC  71   3.048  -1.621   4.419
  583   2HMD  HEC  71          HM52      HEC  71   3.086  -3.093   3.437
  584   3HMD  HEC  71          HM53      HEC  71   1.549  -2.264   3.764
  585   1HAD  HEC  71          HP61      HEC  71   4.675  -2.029   5.842
  586   2HAD  HEC  71          HP62      HEC  71   4.220  -1.949   7.534
  587   1HBD  HEC  71          HP63      HEC  71   5.386  -4.494   7.275
  588   2HBD  HEC  71          HP64      HEC  71   6.341  -3.497   6.191
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1   8.795   3.574  -4.214
    2   2H    ALA   1          2H        ALA   1   9.304   5.160  -4.115
    3   3H    ALA   1          3H        ALA   1   7.895   4.786  -4.876
    4    HA   ALA   1           HA       ALA   1   9.471   5.202  -6.536
    5   1HB   ALA   1          1HB       ALA   1  11.589   3.922  -6.646
    6   2HB   ALA   1          2HB       ALA   1  11.502   4.906  -5.173
    7   3HB   ALA   1          3HB       ALA   1  11.216   3.157  -5.090
    8    H    ASP   2           H        ASP   2   9.728   3.736  -8.506
    9    HA   ASP   2           HA       ASP   2   7.479   2.216  -8.969
   10   1HB   ASP   2          1HB       ASP   2   8.766   1.687 -11.083
   11   2HB   ASP   2          2HB       ASP   2   8.477   3.395 -10.716
   12    H    VAL   3           H        VAL   3   7.544   0.796  -7.142
   13    HA   VAL   3           HA       VAL   3   7.082  -1.383  -6.756
   14    HB   VAL   3           HB       VAL   3   9.192  -2.315  -8.739
   15   1HG1  VAL   3          1HG1      VAL   3   6.841  -3.701  -7.376
   16   2HG1  VAL   3          2HG1      VAL   3   7.942  -4.426  -8.565
   17   3HG1  VAL   3          3HG1      VAL   3   8.557  -3.939  -6.980
   18   1HG2  VAL   3          1HG2      VAL   3   7.160  -2.834 -10.170
   19   2HG2  VAL   3          2HG2      VAL   3   6.202  -1.829  -9.066
   20   3HG2  VAL   3          3HG2      VAL   3   7.496  -1.108 -10.036
   21    H    VAL   4           H        VAL   4   7.668  -1.254  -4.685
   22    HA   VAL   4           HA       VAL   4  10.535  -1.727  -3.942
   23    HB   VAL   4           HB       VAL   4   8.583   0.269  -2.791
   24   1HG1  VAL   4          1HG1      VAL   4  10.282   0.677  -0.997
   25   2HG1  VAL   4          2HG1      VAL   4   9.555  -0.917  -0.836
   26   3HG1  VAL   4          3HG1      VAL   4  11.178  -0.757  -1.529
   27   1HG2  VAL   4          1HG2      VAL   4  10.468   1.810  -3.110
   28   2HG2  VAL   4          2HG2      VAL   4  11.485   0.476  -3.695
   29   3HG2  VAL   4          3HG2      VAL   4  10.083   0.999  -4.644
   30    H    THR   5           H        THR   5  10.679  -2.780  -1.828
   31    HA   THR   5           HA       THR   5   8.129  -3.652  -0.840
   32    HB   THR   5           HB       THR   5   8.972  -5.721  -1.958
   33    HG1  THR   5           HG1      THR   5   8.195  -5.534   0.367
   34   1HG2  THR   5          1HG2      THR   5  11.060  -6.813  -1.281
   35   2HG2  THR   5          2HG2      THR   5  11.402  -5.238  -2.020
   36   3HG2  THR   5          3HG2      THR   5  11.490  -5.435  -0.254
   37    H    TYR   6           H        TYR   6   7.884  -3.614   1.275
   38    HA   TYR   6           HA       TYR   6  10.128  -2.584   2.932
   39   1HB   TYR   6          1HB       TYR   6   7.306  -3.371   3.732
   40   2HB   TYR   6          2HB       TYR   6   8.534  -2.641   4.757
   41    HD1  TYR   6           HD1      TYR   6   5.656  -1.894   2.924
   42    HD2  TYR   6           HD2      TYR   6   9.654  -0.406   3.496
   43    HE1  TYR   6           HE1      TYR   6   4.916   0.374   2.268
   44    HE2  TYR   6           HE2      TYR   6   8.932   1.802   2.715
   45    HH   TYR   6           HH       TYR   6   7.127   3.210   2.478
   46    H    GLU   7           H        GLU   7  11.635  -4.148   3.067
   47    HA   GLU   7           HA       GLU   7  10.986  -6.952   3.189
   48   1HB   GLU   7          1HB       GLU   7  13.408  -7.195   3.577
   49   2HB   GLU   7          2HB       GLU   7  12.876  -6.524   2.031
   50   1HG   GLU   7          1HG       GLU   7  13.544  -4.254   2.692
   51   2HG   GLU   7          2HG       GLU   7  13.936  -4.821   4.332
   52    H    ASN   8           H        ASN   8   9.577  -6.515   4.847
   53    HA   ASN   8           HA       ASN   8  10.513  -6.325   7.646
   54   1HB   ASN   8          1HB       ASN   8   8.224  -6.291   8.263
   55   2HB   ASN   8          2HB       ASN   8   8.408  -5.200   6.897
   56   1HD2  ASN   8          1HD2      ASN   8   8.466  -8.278   5.490
   57   2HD2  ASN   8          2HD2      ASN   8   6.764  -8.295   5.075
   58    H    LYS   9           H        LYS   9   9.233  -8.138   9.171
   59    HA   LYS   9           HA       LYS   9  10.771 -10.487   8.357
   60   1HB   LYS   9          1HB       LYS   9  10.437  -9.192  10.749
   61   2HB   LYS   9          2HB       LYS   9   9.248 -10.461  10.959
   62   1HG   LYS   9          1HG       LYS   9  12.085 -11.132  10.053
   63   2HG   LYS   9          2HG       LYS   9  11.800 -10.634  11.706
   64   1HD   LYS   9          1HD       LYS   9  11.892 -13.033  11.557
   65   2HD   LYS   9          2HD       LYS   9  10.318 -12.483  12.156
   66   1HE   LYS   9          1HE       LYS   9   9.217 -13.018  10.135
   67   2HE   LYS   9          2HE       LYS   9  10.743 -13.116   9.207
   68   1HZ   LYS   9          1HZ       LYS   9   9.789 -15.231   9.605
   69   2HZ   LYS   9          2HZ       LYS   9  11.233 -15.130  10.381
   70   3HZ   LYS   9          3HZ       LYS   9   9.825 -15.033  11.238
   71    H    LYS  10           H        LYS  10   7.438  -9.478   9.074
   72    HA   LYS  10           HA       LYS  10   5.919 -11.744   9.071
   73   1HB   LYS  10          1HB       LYS  10   5.507  -9.276   7.310
   74   2HB   LYS  10          2HB       LYS  10   4.287 -10.542   7.483
   75   1HG   LYS  10          1HG       LYS  10   5.189  -8.571   9.547
   76   2HG   LYS  10          2HG       LYS  10   3.619  -8.778   8.789
   77   1HD   LYS  10          1HD       LYS  10   3.123  -9.895  10.726
   78   2HD   LYS  10          2HD       LYS  10   3.799 -11.243   9.820
   79   1HE   LYS  10          1HE       LYS  10   6.120 -10.358  10.924
   80   2HE   LYS  10          2HE       LYS  10   5.034  -9.548  12.037
   81   1HZ   LYS  10          1HZ       LYS  10   5.717 -11.642  12.861
   82   2HZ   LYS  10          2HZ       LYS  10   4.094 -11.680  12.593
   83   3HZ   LYS  10          3HZ       LYS  10   5.121 -12.439  11.548
   84    H    GLY  11           H        GLY  11   7.284 -10.355   6.179
   85   1HA   GLY  11          1HA       GLY  11   7.661 -12.306   4.376
   86   2HA   GLY  11          2HA       GLY  11   5.864 -12.170   4.393
   87    H    ASN  12           H        ASN  12   8.668 -10.906   3.125
   88    HA   ASN  12           HA       ASN  12   8.692  -8.183   3.402
   89   1HB   ASN  12          1HB       ASN  12   9.368  -9.646   0.859
   90   2HB   ASN  12          2HB       ASN  12   9.930  -8.048   1.327
   91   1HD2  ASN  12          1HD2      ASN  12  10.246  -9.336   4.366
   92   2HD2  ASN  12          2HD2      ASN  12  11.804 -10.054   4.116
   93    H    VAL  13           H        VAL  13   7.315  -6.570   2.940
   94    HA   VAL  13           HA       VAL  13   4.819  -7.311   1.561
   95    HB   VAL  13           HB       VAL  13   5.677  -4.737   2.938
   96   1HG1  VAL  13          1HG1      VAL  13   3.071  -4.359   2.652
   97   2HG1  VAL  13          2HG1      VAL  13   4.148  -3.954   1.301
   98   3HG1  VAL  13          3HG1      VAL  13   3.241  -5.476   1.294
   99   1HG2  VAL  13          1HG2      VAL  13   3.555  -6.806   3.604
  100   2HG2  VAL  13          2HG2      VAL  13   5.184  -6.769   4.324
  101   3HG2  VAL  13          3HG2      VAL  13   4.071  -5.423   4.601
  102    H    THR  14           H        THR  14   5.100  -7.477  -0.584
  103    HA   THR  14           HA       THR  14   6.718  -5.591  -2.123
  104    HB   THR  14           HB       THR  14   6.476  -7.920  -2.816
  105    HG1  THR  14           HG1      THR  14   5.952  -7.392  -5.003
  106   1HG2  THR  14          1HG2      THR  14   4.071  -8.322  -2.154
  107   2HG2  THR  14          2HG2      THR  14   3.573  -7.305  -3.522
  108   3HG2  THR  14          3HG2      THR  14   4.454  -8.811  -3.809
  109    H    PHE  15           H        PHE  15   6.032  -3.571  -2.783
  110    HA   PHE  15           HA       PHE  15   3.125  -3.277  -3.259
  111   1HB   PHE  15          1HB       PHE  15   3.039  -1.080  -2.364
  112   2HB   PHE  15          2HB       PHE  15   3.488  -2.232  -1.109
  113    HD1  PHE  15           HD1      PHE  15   5.858  -2.399  -0.318
  114    HD2  PHE  15           HD2      PHE  15   4.468   0.784  -2.874
  115    HE1  PHE  15           HE1      PHE  15   7.671  -0.932   0.515
  116    HE2  PHE  15           HE2      PHE  15   6.256   2.265  -1.996
  117    HZ   PHE  15           HZ       PHE  15   7.801   1.416  -0.232
  118    H    ASP  16           H        ASP  16   2.849  -2.884  -5.263
  119    HA   ASP  16           HA       ASP  16   4.725  -1.645  -7.059
  120   1HB   ASP  16          1HB       ASP  16   1.775  -2.289  -7.017
  121   2HB   ASP  16          2HB       ASP  16   2.349  -0.999  -8.079
  122    H    HIS  17           H        HIS  17   4.412   0.461  -7.925
  123    HA   HIS  17           HA       HIS  17   3.365   2.550  -6.057
  124   1HB   HIS  17          1HB       HIS  17   5.698   2.145  -5.439
  125   2HB   HIS  17          2HB       HIS  17   6.192   2.258  -7.125
  126    HD1  HIS  17           HND      HIS  17   6.665   4.753  -8.025
  127    HD2  HIS  17           HD       HIS  17   4.519   4.446  -4.431
  128    HE1  HIS  17           HE       HIS  17   6.229   7.145  -7.203
  129    H    LYS  18           H        LYS  18   5.439   2.470  -8.945
  130    HA   LYS  18           HA       LYS  18   4.097   4.419 -10.474
  131   1HB   LYS  18          1HB       LYS  18   6.039   4.139 -11.421
  132   2HB   LYS  18          2HB       LYS  18   6.273   2.544 -10.767
  133   1HG   LYS  18          1HG       LYS  18   4.405   2.769 -13.111
  134   2HG   LYS  18          2HG       LYS  18   6.124   2.990 -13.335
  135   1HD   LYS  18          1HD       LYS  18   6.754   0.966 -12.260
  136   2HD   LYS  18          2HD       LYS  18   5.093   0.543 -11.898
  137   1HE   LYS  18          1HE       LYS  18   6.379   0.759 -14.654
  138   2HE   LYS  18          2HE       LYS  18   5.812  -0.717 -13.859
  139   1HZ   LYS  18          1HZ       LYS  18   4.019   1.487 -14.810
  140   2HZ   LYS  18          2HZ       LYS  18   4.273   0.069 -15.557
  141   3HZ   LYS  18          3HZ       LYS  18   3.484   0.147 -14.158
  142    H    ALA  19           H        ALA  19   3.726   0.863 -10.555
  143    HA   ALA  19           HA       ALA  19   1.589   0.796 -12.343
  144   1HB   ALA  19          1HB       ALA  19   2.798  -1.172 -11.349
  145   2HB   ALA  19          2HB       ALA  19   1.627  -0.995 -10.002
  146   3HB   ALA  19          3HB       ALA  19   1.042  -1.323 -11.631
  147    H    HIS  20           H        HIS  20   1.380   1.119  -8.745
  148    HA   HIS  20           HA       HIS  20  -1.486   1.388  -8.658
  149   1HB   HIS  20          1HB       HIS  20   0.775   2.154  -6.792
  150   2HB   HIS  20          2HB       HIS  20  -0.854   2.742  -6.517
  151    HD1  HIS  20           HND      HIS  20   0.221  -0.785  -7.622
  152    HD2  HIS  20           HD       HIS  20  -1.987   1.231  -4.690
  153    HE1  HIS  20           HE       HIS  20  -0.937  -2.569  -6.215
  154    H    ALA  21           H        ALA  21   1.124   3.550  -9.543
  155    HA   ALA  21           HA       ALA  21  -0.474   5.985  -9.307
  156   1HB   ALA  21          1HB       ALA  21   2.038   5.891  -9.267
  157   2HB   ALA  21          2HB       ALA  21   2.010   5.651 -11.021
  158   3HB   ALA  21          3HB       ALA  21   1.323   7.118 -10.346
  159    H    GLU  22           H        GLU  22   0.534   4.054 -12.078
  160    HA   GLU  22           HA       GLU  22  -0.922   5.595 -14.025
  161   1HB   GLU  22          1HB       GLU  22  -0.284   3.902 -15.654
  162   2HB   GLU  22          2HB       GLU  22   1.077   4.361 -14.619
  163   1HG   GLU  22          1HG       GLU  22   0.361   2.295 -13.227
  164   2HG   GLU  22          2HG       GLU  22  -0.497   1.769 -14.669
  165    H    LYS  23           H        LYS  23  -1.657   2.499 -12.334
  166    HA   LYS  23           HA       LYS  23  -4.222   2.058 -13.414
  167   1HB   LYS  23          1HB       LYS  23  -2.986   1.523 -10.679
  168   2HB   LYS  23          2HB       LYS  23  -4.516   0.835 -11.193
  169   1HG   LYS  23          1HG       LYS  23  -1.916   0.396 -12.777
  170   2HG   LYS  23          2HG       LYS  23  -2.426  -0.603 -11.390
  171   1HD   LYS  23          1HD       LYS  23  -4.606  -0.947 -12.545
  172   2HD   LYS  23          2HD       LYS  23  -3.934  -0.138 -13.985
  173   1HE   LYS  23          1HE       LYS  23  -2.347  -1.906 -14.350
  174   2HE   LYS  23          2HE       LYS  23  -2.500  -2.494 -12.682
  175   1HZ   LYS  23          1HZ       LYS  23  -4.637  -3.261 -13.084
  176   2HZ   LYS  23          2HZ       LYS  23  -4.658  -2.744 -14.651
  177   3HZ   LYS  23          3HZ       LYS  23  -3.630  -3.950 -14.161
  178    H    LEU  24           H        LEU  24  -3.294   3.789 -10.362
  179    HA   LEU  24           HA       LEU  24  -6.152   4.313  -9.932
  180   1HB   LEU  24          1HB       LEU  24  -3.892   4.881  -8.022
  181   2HB   LEU  24          2HB       LEU  24  -5.599   4.660  -7.670
  182    HG   LEU  24           HG       LEU  24  -3.829   2.417  -8.779
  183   1HD1  LEU  24          1HD1      LEU  24  -4.579   2.905  -5.900
  184   2HD1  LEU  24          2HD1      LEU  24  -3.699   1.523  -6.571
  185   3HD1  LEU  24          3HD1      LEU  24  -3.000   3.154  -6.615
  186   1HD2  LEU  24          1HD2      LEU  24  -6.603   2.326  -7.592
  187   2HD2  LEU  24          2HD2      LEU  24  -6.151   2.043  -9.284
  188   3HD2  LEU  24          3HD2      LEU  24  -5.578   0.939  -8.027
  189    H    GLY  25           H        GLY  25  -3.061   6.275 -10.182
  190   1HA   GLY  25          1HA       GLY  25  -3.717   8.200 -11.695
  191   2HA   GLY  25          2HA       GLY  25  -4.650   8.773 -10.295
  192    H    CYS  26           H        CYS  26  -3.584   9.155  -8.356
  193    HA   CYS  26           HA       CYS  26  -0.825   8.945  -7.756
  194   1HB   CYS  26          1HB       CYS  26  -0.834  10.778  -9.753
  195   2HB   CYS  26          2HB       CYS  26  -1.408  11.832  -8.486
  196    H    ASP  27           H        ASP  27  -3.520  10.973  -7.743
  197    HA   ASP  27           HA       ASP  27  -3.826  12.337  -5.318
  198   1HB   ASP  27          1HB       ASP  27  -6.222  12.068  -5.899
  199   2HB   ASP  27          2HB       ASP  27  -5.261  12.616  -7.274
  200    H    ALA  28           H        ALA  28  -4.627   9.081  -6.311
  201    HA   ALA  28           HA       ALA  28  -5.814   7.764  -4.316
  202   1HB   ALA  28          1HB       ALA  28  -4.990   6.656  -6.305
  203   2HB   ALA  28          2HB       ALA  28  -3.302   6.917  -5.818
  204   3HB   ALA  28          3HB       ALA  28  -4.319   5.800  -4.896
  205    H    CYS  29           H        CYS  29  -2.383   8.700  -4.206
  206    HA   CYS  29           HA       CYS  29  -2.300   8.041  -1.271
  207   1HB   CYS  29          1HB       CYS  29  -0.100   7.657  -3.271
  208   2HB   CYS  29          2HB       CYS  29  -0.086   7.188  -1.559
  209    H    HIS  30           H        HIS  30  -1.236  10.257  -3.876
  210    HA   HIS  30           HA       HIS  30   0.071  12.013  -1.818
  211   1HB   HIS  30          1HB       HIS  30   0.813  11.600  -4.724
  212   2HB   HIS  30          2HB       HIS  30   1.572  12.716  -3.600
  213    HD1  HIS  30           HND      HIS  30   3.119  11.571  -1.679
  214    HD2  HIS  30           HD       HIS  30   1.848   9.305  -4.937
  215    HE1  HIS  30           HE       HIS  30   4.896   9.654  -2.074
  216    H    GLU  31           H        GLU  31  -1.343  13.689  -1.564
  217    HA   GLU  31           HA       GLU  31  -3.130  14.643  -3.623
  218   1HB   GLU  31          1HB       GLU  31  -2.131  15.933  -0.988
  219   2HB   GLU  31          2HB       GLU  31  -3.360  16.619  -2.074
  220   1HG   GLU  31          1HG       GLU  31  -4.575  14.533  -1.890
  221   2HG   GLU  31          2HG       GLU  31  -3.463  13.921  -0.654
  222    H    GLY  32           H        GLY  32  -0.585  16.388  -2.089
  223   1HA   GLY  32          1HA       GLY  32   0.596  17.334  -4.686
  224   2HA   GLY  32          2HA       GLY  32  -0.032  18.520  -3.530
  225    H    THR  33           H        THR  33   1.629  15.523  -2.535
  226    HA   THR  33           HA       THR  33   4.236  16.735  -2.468
  227    HB   THR  33           HB       THR  33   3.442  17.926  -0.590
  228    HG1  THR  33           HG1      THR  33   4.975  17.144   0.897
  229   1HG2  THR  33          1HG2      THR  33   2.662  16.928   1.466
  230   2HG2  THR  33          2HG2      THR  33   1.578  16.439   0.157
  231   3HG2  THR  33          3HG2      THR  33   2.780  15.295   0.794
  232    HA   PRO  34           HA       PRO  34   4.950  12.281  -1.940
  233   1HB   PRO  34          1HB       PRO  34   6.853  11.935  -3.814
  234   2HB   PRO  34          2HB       PRO  34   5.122  11.999  -4.185
  235   1HG   PRO  34          1HG       PRO  34   7.142  14.053  -4.856
  236   2HG   PRO  34          2HG       PRO  34   5.484  13.780  -5.473
  237   1HD   PRO  34          1HD       PRO  34   6.379  15.639  -3.364
  238   2HD   PRO  34          2HD       PRO  34   4.817  15.542  -4.231
  239    H    ALA  35           H        ALA  35   8.144  13.259  -2.885
  240    HA   ALA  35           HA       ALA  35  10.090  13.070  -1.729
  241   1HB   ALA  35          1HB       ALA  35  10.350  14.689   0.077
  242   2HB   ALA  35          2HB       ALA  35   9.363  15.379  -1.225
  243   3HB   ALA  35          3HB       ALA  35   8.589  14.806   0.269
  244    H    LYS  36           H        LYS  36   8.602  10.818  -1.385
  245    HA   LYS  36           HA       LYS  36   8.540   8.893  -0.314
  246   1HB   LYS  36          1HB       LYS  36  10.827  10.141   1.066
  247   2HB   LYS  36          2HB       LYS  36   9.885   9.151   2.151
  248   1HG   LYS  36          1HG       LYS  36  10.108   7.449  -0.042
  249   2HG   LYS  36          2HG       LYS  36  11.549   8.416  -0.224
  250   1HD   LYS  36          1HD       LYS  36  11.940   6.376   1.042
  251   2HD   LYS  36          2HD       LYS  36  12.261   7.781   2.076
  252   1HE   LYS  36          1HE       LYS  36  10.466   7.297   3.510
  253   2HE   LYS  36          2HE       LYS  36   9.447   6.781   2.165
  254   1HZ   LYS  36          1HZ       LYS  36  10.828   4.750   2.065
  255   2HZ   LYS  36          2HZ       LYS  36  11.303   5.078   3.641
  256   3HZ   LYS  36          3HZ       LYS  36   9.705   4.873   3.144
  257    H    ILE  37           H        ILE  37   7.131   7.787   0.971
  258    HA   ILE  37           HA       ILE  37   5.658   9.452   2.976
  259    HB   ILE  37           HB       ILE  37   4.640   6.809   1.852
  260   1HG1  ILE  37          1HG1      ILE  37   4.208   9.528   0.765
  261   2HG1  ILE  37          2HG1      ILE  37   4.906   8.072   0.014
  262   1HG2  ILE  37          1HG2      ILE  37   3.172   9.256   2.993
  263   2HG2  ILE  37          2HG2      ILE  37   2.533   7.617   2.802
  264   3HG2  ILE  37          3HG2      ILE  37   3.685   7.974   4.080
  265   1HD1  ILE  37          1HD1      ILE  37   2.659   8.231  -0.844
  266   2HD1  ILE  37          2HD1      ILE  37   2.656   6.926   0.347
  267   3HD1  ILE  37          3HD1      ILE  37   1.990   8.524   0.759
  268    H    ALA  38           H        ALA  38   4.985   6.547   3.702
  269    HA   ALA  38           HA       ALA  38   6.968   5.346   5.344
  270   1HB   ALA  38          1HB       ALA  38   7.194   7.523   6.483
  271   2HB   ALA  38          2HB       ALA  38   5.427   7.634   6.661
  272   3HB   ALA  38          3HB       ALA  38   6.343   6.387   7.539
  273    H    ILE  39           H        ILE  39   5.310   3.999   3.988
  274    HA   ILE  39           HA       ILE  39   2.720   3.753   5.405
  275    HB   ILE  39           HB       ILE  39   3.559   2.519   2.805
  276   1HG1  ILE  39          1HG1      ILE  39   3.230   4.931   2.609
  277   2HG1  ILE  39          2HG1      ILE  39   1.832   4.072   1.982
  278   1HG2  ILE  39          1HG2      ILE  39   1.178   2.237   4.667
  279   2HG2  ILE  39          2HG2      ILE  39   0.927   2.173   2.930
  280   3HG2  ILE  39          3HG2      ILE  39   2.021   1.006   3.708
  281   1HD1  ILE  39          1HD1      ILE  39   0.684   4.523   4.229
  282   2HD1  ILE  39          2HD1      ILE  39   1.998   5.682   4.531
  283   3HD1  ILE  39          3HD1      ILE  39   0.927   5.893   3.138
  284    H    ASP  40           H        ASP  40   3.569   3.262   7.173
  285    HA   ASP  40           HA       ASP  40   5.179   0.829   7.655
  286   1HB   ASP  40          1HB       ASP  40   4.062   2.820   9.670
  287   2HB   ASP  40          2HB       ASP  40   5.345   1.637   9.931
  288    H    LYS  41           H        LYS  41   4.371  -0.683   9.406
  289    HA   LYS  41           HA       LYS  41   1.969  -1.808   9.266
  290   1HB   LYS  41          1HB       LYS  41   2.277  -2.377  11.726
  291   2HB   LYS  41          2HB       LYS  41   3.614  -2.710  10.624
  292   1HG   LYS  41          1HG       LYS  41   4.785  -0.666  11.399
  293   2HG   LYS  41          2HG       LYS  41   3.505  -0.392  12.601
  294   1HD   LYS  41          1HD       LYS  41   4.057  -2.445  13.752
  295   2HD   LYS  41          2HD       LYS  41   5.041  -2.986  12.388
  296   1HE   LYS  41          1HE       LYS  41   6.578  -0.997  12.769
  297   2HE   LYS  41          2HE       LYS  41   5.743  -0.755  14.316
  298   1HZ   LYS  41          1HZ       LYS  41   7.727  -2.084  14.534
  299   2HZ   LYS  41          2HZ       LYS  41   6.424  -3.031  14.880
  300   3HZ   LYS  41          3HZ       LYS  41   7.192  -3.172  13.428
  301    H    LYS  42           H        LYS  42   2.607   1.072  11.176
  302    HA   LYS  42           HA       LYS  42  -0.015   1.283  12.346
  303   1HB   LYS  42          1HB       LYS  42   1.904   3.575  11.711
  304   2HB   LYS  42          2HB       LYS  42   0.509   3.608  12.800
  305   1HG   LYS  42          1HG       LYS  42   1.702   1.700  14.108
  306   2HG   LYS  42          2HG       LYS  42   3.098   2.039  13.089
  307   1HD   LYS  42          1HD       LYS  42   3.507   3.256  15.072
  308   2HD   LYS  42          2HD       LYS  42   3.090   4.417  13.821
  309   1HE   LYS  42          1HE       LYS  42   2.045   5.038  15.934
  310   2HE   LYS  42          2HE       LYS  42   0.793   4.648  14.758
  311   1HZ   LYS  42          1HZ       LYS  42   0.570   2.495  15.808
  312   2HZ   LYS  42          2HZ       LYS  42   1.767   2.847  16.885
  313   3HZ   LYS  42          3HZ       LYS  42   0.360   3.692  16.911
  314    H    SER  43           H        SER  43   1.317   3.201   9.552
  315    HA   SER  43           HA       SER  43  -1.067   4.341   8.753
  316   1HB   SER  43          1HB       SER  43   1.144   3.438   6.876
  317   2HB   SER  43          2HB       SER  43   0.157   4.899   6.792
  318    HG   SER  43           HG       SER  43   2.399   5.137   7.647
  319    H    ALA  44           H        ALA  44   0.530   1.514   7.403
  320    HA   ALA  44           HA       ALA  44  -0.870   0.921   5.184
  321   1HB   ALA  44          1HB       ALA  44   1.272  -0.015   5.906
  322   2HB   ALA  44          2HB       ALA  44   0.445  -1.024   7.107
  323   3HB   ALA  44          3HB       ALA  44   0.132  -1.288   5.378
  324    H    HIS  45           H        HIS  45  -1.498  -0.589   8.376
  325    HA   HIS  45           HA       HIS  45  -3.786  -2.055   7.236
  326   1HB   HIS  45          1HB       HIS  45  -3.043  -1.966  10.148
  327   2HB   HIS  45          2HB       HIS  45  -3.928  -3.215   9.276
  328    HD1  HIS  45           HND      HIS  45  -0.561  -2.299  10.455
  329    HD2  HIS  45           HD       HIS  45  -2.213  -4.748   7.469
  330    HE1  HIS  45           HE       HIS  45   1.225  -3.998   9.830
  331    H    LYS  46           H        LYS  46  -3.266   1.013   8.813
  332    HA   LYS  46           HA       LYS  46  -5.880   1.017  10.170
  333   1HB   LYS  46          1HB       LYS  46  -3.878   1.830  11.292
  334   2HB   LYS  46          2HB       LYS  46  -3.646   3.086  10.068
  335   1HG   LYS  46          1HG       LYS  46  -6.252   2.914  11.568
  336   2HG   LYS  46          2HG       LYS  46  -4.836   3.550  12.417
  337   1HD   LYS  46          1HD       LYS  46  -5.806   4.649   9.774
  338   2HD   LYS  46          2HD       LYS  46  -6.402   5.246  11.304
  339   1HE   LYS  46          1HE       LYS  46  -4.244   6.076  11.950
  340   2HE   LYS  46          2HE       LYS  46  -3.417   5.244  10.625
  341   1HZ   LYS  46          1HZ       LYS  46  -5.475   7.274  10.125
  342   2HZ   LYS  46          2HZ       LYS  46  -3.869   7.650  10.273
  343   3HZ   LYS  46          3HZ       LYS  46  -4.379   6.655   9.077
  344    H    ASP  47           H        ASP  47  -4.142   3.213   7.937
  345    HA   ASP  47           HA       ASP  47  -6.382   3.515   6.176
  346   1HB   ASP  47          1HB       ASP  47  -5.619   5.931   7.854
  347   2HB   ASP  47          2HB       ASP  47  -6.430   6.003   6.313
  348    H    ALA  48           H        ALA  48  -4.571   2.487   5.169
  349    HA   ALA  48           HA       ALA  48  -3.758   4.511   3.315
  350   1HB   ALA  48          1HB       ALA  48  -1.722   4.696   4.545
  351   2HB   ALA  48          2HB       ALA  48  -1.543   2.950   4.711
  352   3HB   ALA  48          3HB       ALA  48  -1.355   3.719   3.114
  353    H    CYS  49           H        CYS  49  -2.192   1.365   3.536
  354    HA   CYS  49           HA       CYS  49  -3.135   0.546   1.013
  355   1HB   CYS  49          1HB       CYS  49  -2.241  -1.264   3.237
  356   2HB   CYS  49          2HB       CYS  49  -2.182  -1.594   1.511
  357    H    LYS  50           H        LYS  50  -4.169  -0.749   4.251
  358    HA   LYS  50           HA       LYS  50  -6.120  -2.360   2.956
  359   1HB   LYS  50          1HB       LYS  50  -5.087  -2.957   5.082
  360   2HB   LYS  50          2HB       LYS  50  -6.029  -1.697   5.911
  361   1HG   LYS  50          1HG       LYS  50  -8.100  -2.778   5.419
  362   2HG   LYS  50          2HG       LYS  50  -7.370  -3.738   4.122
  363   1HD   LYS  50          1HD       LYS  50  -6.118  -5.065   5.831
  364   2HD   LYS  50          2HD       LYS  50  -6.882  -4.103   7.102
  365   1HE   LYS  50          1HE       LYS  50  -8.070  -6.253   6.784
  366   2HE   LYS  50          2HE       LYS  50  -9.119  -4.876   6.431
  367   1HZ   LYS  50          1HZ       LYS  50  -8.755  -5.274   4.067
  368   2HZ   LYS  50          2HZ       LYS  50  -7.751  -6.531   4.404
  369   3HZ   LYS  50          3HZ       LYS  50  -9.337  -6.621   4.798
  370    H    THR  51           H        THR  51  -6.347   1.014   3.879
  371    HA   THR  51           HA       THR  51  -9.268   0.929   4.046
  372    HB   THR  51           HB       THR  51  -7.296   3.183   4.170
  373    HG1  THR  51           HG1      THR  51  -8.558   3.292   6.162
  374   1HG2  THR  51          1HG2      THR  51  -9.232   4.701   4.537
  375   2HG2  THR  51          2HG2      THR  51  -9.145   4.144   2.865
  376   3HG2  THR  51          3HG2      THR  51 -10.333   3.427   3.980
  377    H    CYS  52           H        CYS  52  -6.850   1.458   1.497
  378    HA   CYS  52           HA       CYS  52  -9.014   1.980  -0.403
  379   1HB   CYS  52          1HB       CYS  52  -6.088   1.488  -0.530
  380   2HB   CYS  52          2HB       CYS  52  -7.017   0.666  -1.789
  381    H    HIS  53           H        HIS  53  -6.956  -0.725   0.575
  382    HA   HIS  53           HA       HIS  53  -8.423  -2.735  -0.893
  383   1HB   HIS  53          1HB       HIS  53  -6.022  -2.653   0.951
  384   2HB   HIS  53          2HB       HIS  53  -6.756  -4.176   0.524
  385    HD1  HIS  53           HND      HIS  53  -5.602  -5.244  -1.258
  386    HD2  HIS  53           HD       HIS  53  -5.046  -1.103  -1.349
  387    HE1  HIS  53           HE       HIS  53  -3.971  -4.755  -3.162
  388    H    LYS  54           H        LYS  54 -10.315  -1.528   0.626
  389    HA   LYS  54           HA       LYS  54 -11.052  -3.202   2.916
  390   1HB   LYS  54          1HB       LYS  54 -12.549  -1.136   1.317
  391   2HB   LYS  54          2HB       LYS  54 -13.264  -2.058   2.656
  392   1HG   LYS  54          1HG       LYS  54 -10.788  -0.324   2.838
  393   2HG   LYS  54          2HG       LYS  54 -12.434   0.213   3.152
  394   1HD   LYS  54          1HD       LYS  54 -12.449  -1.721   4.953
  395   2HD   LYS  54          2HD       LYS  54 -10.681  -1.603   4.785
  396   1HE   LYS  54          1HE       LYS  54 -11.173   1.034   5.066
  397   2HE   LYS  54          2HE       LYS  54 -12.694   0.481   5.750
  398   1HZ   LYS  54          1HZ       LYS  54 -11.014   0.886   7.396
  399   2HZ   LYS  54          2HZ       LYS  54 -11.396  -0.715   7.408
  400   3HZ   LYS  54          3HZ       LYS  54  -9.985  -0.183   6.722
  401    H    SER  55           H        SER  55 -13.315  -2.645   0.290
  402    HA   SER  55           HA       SER  55 -14.041  -5.453   0.163
  403   1HB   SER  55          1HB       SER  55 -15.679  -3.568   0.038
  404   2HB   SER  55          2HB       SER  55 -14.982  -3.084  -1.524
  405    HG   SER  55           HG       SER  55 -16.809  -4.455  -1.759
  406    H    ASN  56           H        ASN  56 -12.545  -3.051  -1.995
  407    HA   ASN  56           HA       ASN  56 -12.103  -4.917  -4.195
  408   1HB   ASN  56          1HB       ASN  56 -10.881  -2.965  -5.202
  409   2HB   ASN  56          2HB       ASN  56 -12.562  -2.663  -4.762
  410   1HD2  ASN  56          1HD2      ASN  56  -9.210  -2.175  -3.592
  411   2HD2  ASN  56          2HD2      ASN  56  -9.610  -0.764  -2.600
  412    H    ASN  57           H        ASN  57 -11.102  -6.351  -2.459
  413    HA   ASN  57           HA       ASN  57  -8.146  -6.236  -2.766
  414   1HB   ASN  57          1HB       ASN  57  -8.652  -5.350  -0.523
  415   2HB   ASN  57          2HB       ASN  57  -9.600  -6.786  -0.127
  416   1HD2  ASN  57          1HD2      ASN  57  -8.433  -8.615   0.731
  417   2HD2  ASN  57          2HD2      ASN  57  -6.685  -8.676   0.697
  418    H    GLY  58           H        GLY  58 -10.830  -8.192  -1.372
  419   1HA   GLY  58          1HA       GLY  58 -11.562 -10.217  -2.440
  420   2HA   GLY  58          2HA       GLY  58  -9.919 -10.584  -2.949
  421    HA   PRO  59           HA       PRO  59  -9.591 -12.649   1.049
  422   1HB   PRO  59          1HB       PRO  59  -6.863 -12.896   1.384
  423   2HB   PRO  59          2HB       PRO  59  -7.676 -13.651  -0.012
  424   1HG   PRO  59          1HG       PRO  59  -6.271 -10.967   0.068
  425   2HG   PRO  59          2HG       PRO  59  -5.998 -12.304  -1.085
  426   1HD   PRO  59          1HD       PRO  59  -7.643 -10.202  -1.619
  427   2HD   PRO  59          2HD       PRO  59  -8.011 -11.840  -2.230
  428    H    THR  60           H        THR  60  -7.762 -12.300   3.060
  429    HA   THR  60           HA       THR  60  -9.082 -10.006   4.325
  430    HB   THR  60           HB       THR  60 -10.846 -11.345   3.189
  431    HG1  THR  60           HG1      THR  60 -12.164 -11.285   4.694
  432   1HG2  THR  60          1HG2      THR  60  -9.827 -13.650   3.413
  433   2HG2  THR  60          2HG2      THR  60 -10.330 -13.612   5.130
  434   3HG2  THR  60          3HG2      THR  60 -11.532 -13.499   3.846
  435    H    LYS  61           H        LYS  61  -8.238 -13.472   4.834
  436    HA   LYS  61           HA       LYS  61  -7.206 -12.981   7.504
  437   1HB   LYS  61          1HB       LYS  61  -6.716 -15.326   7.541
  438   2HB   LYS  61          2HB       LYS  61  -8.324 -15.027   6.924
  439   1HG   LYS  61          1HG       LYS  61  -7.849 -16.490   5.341
  440   2HG   LYS  61          2HG       LYS  61  -6.985 -15.178   4.539
  441   1HD   LYS  61          1HD       LYS  61  -5.019 -16.280   4.703
  442   2HD   LYS  61          2HD       LYS  61  -5.168 -16.383   6.441
  443   1HE   LYS  61          1HE       LYS  61  -4.939 -18.612   5.649
  444   2HE   LYS  61          2HE       LYS  61  -6.601 -18.424   6.221
  445   1HZ   LYS  61          1HZ       LYS  61  -7.265 -18.147   3.903
  446   2HZ   LYS  61          2HZ       LYS  61  -5.709 -18.337   3.405
  447   3HZ   LYS  61          3HZ       LYS  61  -6.499 -19.582   4.129
  448    H    CYS  62           H        CYS  62  -5.947 -11.146   6.558
  449    HA   CYS  62           HA       CYS  62  -4.079 -10.131   5.903
  450   1HB   CYS  62          1HB       CYS  62  -2.574 -12.645   6.690
  451   2HB   CYS  62          2HB       CYS  62  -1.950 -10.987   6.670
  452    H    GLY  63           H        GLY  63  -1.721 -11.848   4.776
  453   1HA   GLY  63          1HA       GLY  63  -1.174 -13.132   2.942
  454   2HA   GLY  63          2HA       GLY  63  -2.890 -13.297   2.549
  455    H    GLY  64           H        GLY  64  -3.690 -10.743   2.152
  456   1HA   GLY  64          1HA       GLY  64  -3.429 -10.016  -0.387
  457   2HA   GLY  64          2HA       GLY  64  -3.532  -8.803   0.903
  458    H    CYS  65           H        CYS  65  -1.106  -8.908   2.069
  459    HA   CYS  65           HA       CYS  65   0.645  -7.725  -0.045
  460   1HB   CYS  65          1HB       CYS  65   0.324  -6.947   2.824
  461   2HB   CYS  65          2HB       CYS  65   1.100  -6.002   1.544
  462    H    HIS  66           H        HIS  66   0.662  -9.647   2.971
  463    HA   HIS  66           HA       HIS  66   3.599  -9.830   2.983
  464   1HB   HIS  66          1HB       HIS  66   1.486 -11.050   4.804
  465   2HB   HIS  66          2HB       HIS  66   3.223 -11.178   5.021
  466    HD1  HIS  66           HND      HIS  66   4.535  -8.666   5.315
  467    HD2  HIS  66           HD       HIS  66   0.369  -8.922   5.991
  468    HE1  HIS  66           HE       HIS  66   3.807  -6.658   6.757
  469    H    ILE  67           H        ILE  67   4.336 -11.179   1.347
  470    HA   ILE  67           HA       ILE  67   2.795 -13.528   0.584
  471    HB   ILE  67           HB       ILE  67   5.464 -12.605  -0.512
  472   1HG1  ILE  67          1HG1      ILE  67   4.043 -10.651  -0.615
  473   2HG1  ILE  67          2HG1      ILE  67   4.202 -11.346  -2.214
  474   1HG2  ILE  67          1HG2      ILE  67   3.188 -14.290  -1.648
  475   2HG2  ILE  67          2HG2      ILE  67   4.504 -13.614  -2.633
  476   3HG2  ILE  67          3HG2      ILE  67   4.860 -14.793  -1.378
  477   1HD1  ILE  67          1HD1      ILE  67   1.945 -12.374  -2.016
  478   2HD1  ILE  67          2HD1      ILE  67   1.769 -11.675  -0.391
  479   3HD1  ILE  67          3HD1      ILE  67   1.905 -10.619  -1.800
  480    H    LYS  68           H        LYS  68   3.297 -14.103   3.022
  481    HA   LYS  68           HA       LYS  68   4.024 -15.668   4.477
  482   1HB   LYS  68          1HB       LYS  68   5.421 -17.041   2.143
  483   2HB   LYS  68          2HB       LYS  68   5.197 -17.681   3.766
  484   1HG   LYS  68          1HG       LYS  68   2.726 -17.537   3.478
  485   2HG   LYS  68          2HG       LYS  68   2.997 -17.027   1.789
  486   1HD   LYS  68          1HD       LYS  68   4.283 -19.152   1.385
  487   2HD   LYS  68          2HD       LYS  68   4.067 -19.600   3.075
  488   1HE   LYS  68          1HE       LYS  68   2.506 -20.869   1.745
  489   2HE   LYS  68          2HE       LYS  68   1.616 -19.742   2.779
  490   1HZ   LYS  68          1HZ       LYS  68   1.376 -18.293   0.873
  491   2HZ   LYS  68          2HZ       LYS  68   2.229 -19.330  -0.080
  492   3HZ   LYS  68          3HZ       LYS  68   0.771 -19.783   0.530
  493    HHA  HEC  69           HCM      HEC  69   8.202   7.412  -1.976
  494    HHB  HEC  69           HDM      HEC  69   6.426  10.932  -6.989
  495    HHC  HEC  69           HAM      HEC  69   1.078   7.408  -7.456
  496    HHD  HEC  69           HBM      HEC  69   2.467   4.803  -1.812
  497   1HMA  HEC  69          HM81      HEC  69   9.917  10.904  -5.570
  498   2HMA  HEC  69          HM82      HEC  69   8.829  10.709  -6.943
  499   3HMA  HEC  69          HM83      HEC  69   8.504  11.971  -5.731
  500   1HAA  HEC  69          HP71      HEC  69   9.986  10.537  -3.285
  501   2HAA  HEC  69          HP72      HEC  69   9.640   9.180  -2.223
  502   1HBA  HEC  69          HP73      HEC  69  10.849   8.646  -4.917
  503   2HBA  HEC  69          HP74      HEC  69  11.836   9.200  -3.556
  504   1HMB  HEC  69          HM11      HEC  69   5.117  11.988  -8.323
  505   2HMB  HEC  69          HM12      HEC  69   4.712  11.048  -9.775
  506   3HMB  HEC  69          HM13      HEC  69   3.472  11.991  -8.907
  507    HAB  HEC  69          HT2A      HEC  69   0.993   8.878  -8.953
  508   1HBB  HEC  69          HT21      HEC  69   2.355  11.026 -10.559
  509   2HBB  HEC  69          HT22      HEC  69   2.623   9.290 -10.833
  510   3HBB  HEC  69          HT23      HEC  69   1.001   9.978 -10.977
  511   1HMC  HEC  69          HM31      HEC  69  -0.935   6.725  -6.310
  512   2HMC  HEC  69          HM32      HEC  69  -0.271   5.246  -7.043
  513   3HMC  HEC  69          HM33      HEC  69  -1.270   5.153  -5.590
  514    HAC  HEC  69          HT4A      HEC  69   0.435   4.570  -2.118
  515   1HBC  HEC  69          HT41      HEC  69  -0.839   2.730  -2.743
  516   2HBC  HEC  69          HT42      HEC  69  -1.096   3.328  -4.379
  517   3HBC  HEC  69          HT43      HEC  69   0.504   2.714  -3.898
  518   1HMD  HEC  69          HM51      HEC  69   4.385   3.369  -0.548
  519   2HMD  HEC  69          HM52      HEC  69   5.074   4.276   0.810
  520   3HMD  HEC  69          HM53      HEC  69   3.423   4.615   0.273
  521   1HAD  HEC  69          HP61      HEC  69   8.094   6.379  -0.171
  522   2HAD  HEC  69          HP62      HEC  69   6.855   5.795   0.910
  523   1HBD  HEC  69          HP63      HEC  69   7.104   3.541  -0.091
  524   2HBD  HEC  69          HP64      HEC  69   8.408   4.162  -1.124
  525    HHA  HEC  70           HCM      HEC  70  -3.343  -5.127  -6.837
  526    HHB  HEC  70           HDM      HEC  70   0.218  -4.274  -1.582
  527    HHC  HEC  70           HAM      HEC  70  -2.314   1.533  -0.881
  528    HHD  HEC  70           HBM      HEC  70  -6.579   0.235  -5.411
  529   1HMA  HEC  70          HM81      HEC  70   1.270  -6.190  -3.441
  530   2HMA  HEC  70          HM82      HEC  70   0.103  -6.539  -2.142
  531   3HMA  HEC  70          HM83      HEC  70   0.070  -7.496  -3.616
  532   1HAA  HEC  70          HP71      HEC  70  -1.637  -6.625  -6.894
  533   2HAA  HEC  70          HP72      HEC  70  -0.485  -7.389  -5.827
  534   1HBA  HEC  70          HP73      HEC  70  -2.355  -8.183  -4.382
  535   2HBA  HEC  70          HP74      HEC  70  -3.508  -7.463  -5.517
  536   1HMB  HEC  70          HM11      HEC  70   1.611  -3.023  -0.288
  537   2HMB  HEC  70          HM12      HEC  70   1.315  -1.872   1.021
  538   3HMB  HEC  70          HM13      HEC  70   0.319  -3.327   0.871
  539    HAB  HEC  70          HT2A      HEC  70  -0.812   1.362   0.513
  540   1HBB  HEC  70          HT21      HEC  70   1.973   0.197   0.603
  541   2HBB  HEC  70          HT22      HEC  70   1.361   1.143  -0.763
  542   3HBB  HEC  70          HT23      HEC  70   1.447   1.868   0.836
  543   1HMC  HEC  70          HM31      HEC  70  -4.463   3.209  -0.852
  544   2HMC  HEC  70          HM32      HEC  70  -3.046   3.564  -1.860
  545   3HMC  HEC  70          HM33      HEC  70  -4.639   4.110  -2.370
  546    HAC  HEC  70          HT4A      HEC  70  -7.414   1.697  -3.946
  547   1HBC  HEC  70          HT41      HEC  70  -7.646   4.146  -4.435
  548   2HBC  HEC  70          HT42      HEC  70  -5.884   4.283  -4.372
  549   3HBC  HEC  70          HT43      HEC  70  -6.675   3.271  -5.605
  550   1HMD  HEC  70          HM51      HEC  70  -7.950  -2.199  -7.345
  551   2HMD  HEC  70          HM52      HEC  70  -7.365  -0.525  -7.291
  552   3HMD  HEC  70          HM53      HEC  70  -6.869  -1.576  -8.616
  553   1HAD  HEC  70          HP61      HEC  70  -5.556  -5.165  -7.697
  554   2HAD  HEC  70          HP62      HEC  70  -6.516  -3.985  -8.577
  555   1HBD  HEC  70          HP63      HEC  70  -3.510  -4.110  -8.974
  556   2HBD  HEC  70          HP64      HEC  70  -4.593  -5.247  -9.774
  557    HHA  HEC  71           HCM      HEC  71   4.697  -4.084   8.713
  558    HHB  HEC  71           HDM      HEC  71   0.960  -8.449  11.434
  559    HHC  HEC  71           HAM      HEC  71  -2.845  -8.370   6.312
  560    HHD  HEC  71           HBM      HEC  71   0.686  -3.737   3.756
  561   1HMA  HEC  71          HM81      HEC  71   2.894  -8.396  12.580
  562   2HMA  HEC  71          HM82      HEC  71   4.324  -7.389  12.796
  563   3HMA  HEC  71          HM83      HEC  71   2.725  -6.745  13.209
  564   1HAA  HEC  71          HP71      HEC  71   5.321  -4.361  10.801
  565   2HAA  HEC  71          HP72      HEC  71   5.365  -5.557  12.094
  566   1HBA  HEC  71          HP73      HEC  71   6.316  -6.046   9.270
  567   2HBA  HEC  71          HP74      HEC  71   7.358  -5.313  10.502
  568   1HMB  HEC  71          HM11      HEC  71  -0.171 -10.510  11.172
  569   2HMB  HEC  71          HM12      HEC  71  -1.448  -9.532  11.940
  570   3HMB  HEC  71          HM13      HEC  71  -1.858 -10.871  10.842
  571    HAB  HEC  71          HT2A      HEC  71  -3.956  -9.204   7.944
  572   1HBB  HEC  71          HT21      HEC  71  -5.265  -9.670   9.854
  573   2HBB  HEC  71          HT22      HEC  71  -3.844  -9.731  10.908
  574   3HBB  HEC  71          HT23      HEC  71  -4.302  -8.204  10.124
  575   1HMC  HEC  71          HM31      HEC  71  -3.155  -8.341   4.076
  576   2HMC  HEC  71          HM32      HEC  71  -4.182  -6.926   4.405
  577   3HMC  HEC  71          HM33      HEC  71  -3.311  -7.092   2.857
  578    HAC  HEC  71          HT4A      HEC  71  -1.001  -3.943   2.572
  579   1HBC  HEC  71          HT41      HEC  71  -3.256  -3.494   3.324
  580   2HBC  HEC  71          HT42      HEC  71  -3.159  -3.727   1.565
  581   3HBC  HEC  71          HT43      HEC  71  -3.835  -4.993   2.584
  582   1HMD  HEC  71          HM51      HEC  71   3.118  -1.059   4.646
  583   2HMD  HEC  71          HM52      HEC  71   3.495  -2.330   3.484
  584   3HMD  HEC  71          HM53      HEC  71   1.814  -1.859   3.790
  585   1HAD  HEC  71          HP61      HEC  71   5.091  -1.816   5.564
  586   2HAD  HEC  71          HP62      HEC  71   4.543  -1.327   7.136
  587   1HBD  HEC  71          HP63      HEC  71   6.218  -3.821   6.939
  588   2HBD  HEC  71          HP64      HEC  71   6.974  -2.294   6.509
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1   8.502   6.660 -10.204
    2   2H    ALA   1          2H        ALA   1   9.867   7.311  -9.483
    3   3H    ALA   1          3H        ALA   1   9.979   6.097 -10.628
    4    HA   ALA   1           HA       ALA   1  10.359   5.236  -8.480
    5   1HB   ALA   1          1HB       ALA   1   7.437   5.768  -7.848
    6   2HB   ALA   1          2HB       ALA   1   8.807   5.359  -6.775
    7   3HB   ALA   1          3HB       ALA   1   8.670   6.980  -7.458
    8    H    ASP   2           H        ASP   2   9.072   3.111  -7.758
    9    HA   ASP   2           HA       ASP   2   7.580   1.660  -9.656
   10   1HB   ASP   2          1HB       ASP   2   9.457   0.274 -10.506
   11   2HB   ASP   2          2HB       ASP   2   9.550   1.933 -11.085
   12    H    VAL   3           H        VAL   3   8.198  -0.798  -9.065
   13    HA   VAL   3           HA       VAL   3   6.922  -0.999  -6.648
   14    HB   VAL   3           HB       VAL   3   6.746  -2.706  -8.278
   15   1HG1  VAL   3          1HG1      VAL   3   9.035  -2.708  -9.238
   16   2HG1  VAL   3          2HG1      VAL   3   9.636  -3.524  -7.782
   17   3HG1  VAL   3          3HG1      VAL   3   8.460  -4.328  -8.830
   18   1HG2  VAL   3          1HG2      VAL   3   6.429  -3.349  -5.864
   19   2HG2  VAL   3          2HG2      VAL   3   6.876  -4.698  -6.920
   20   3HG2  VAL   3          3HG2      VAL   3   8.089  -3.970  -5.852
   21    H    VAL   4           H        VAL   4   7.447  -0.755  -4.577
   22    HA   VAL   4           HA       VAL   4  10.279  -1.201  -3.694
   23    HB   VAL   4           HB       VAL   4   8.066   0.482  -2.539
   24   1HG1  VAL   4          1HG1      VAL   4  10.800  -0.254  -1.375
   25   2HG1  VAL   4          2HG1      VAL   4   9.773   1.050  -0.753
   26   3HG1  VAL   4          3HG1      VAL   4   9.223  -0.623  -0.655
   27   1HG2  VAL   4          1HG2      VAL   4   9.301   1.587  -4.345
   28   2HG2  VAL   4          2HG2      VAL   4   9.701   2.321  -2.788
   29   3HG2  VAL   4          3HG2      VAL   4  10.843   1.196  -3.556
   30    H    THR   5           H        THR   5  10.474  -2.441  -1.769
   31    HA   THR   5           HA       THR   5   7.985  -3.495  -0.748
   32    HB   THR   5           HB       THR   5   8.904  -5.469  -1.854
   33    HG1  THR   5           HG1      THR   5   8.281  -5.348   0.513
   34   1HG2  THR   5          1HG2      THR   5  11.120  -6.393  -1.335
   35   2HG2  THR   5          2HG2      THR   5  11.280  -4.806  -2.104
   36   3HG2  THR   5          3HG2      THR   5  11.516  -4.975  -0.349
   37    H    TYR   6           H        TYR   6   7.762  -3.403   1.369
   38    HA   TYR   6           HA       TYR   6   9.952  -2.236   3.009
   39   1HB   TYR   6          1HB       TYR   6   7.089  -3.006   3.683
   40   2HB   TYR   6          2HB       TYR   6   8.286  -2.445   4.847
   41    HD1  TYR   6           HD1      TYR   6   9.599  -0.172   3.932
   42    HD2  TYR   6           HD2      TYR   6   5.558  -1.336   2.982
   43    HE1  TYR   6           HE1      TYR   6   9.049   2.162   3.371
   44    HE2  TYR   6           HE2      TYR   6   5.076   0.980   2.309
   45    HH   TYR   6           HH       TYR   6   7.381   3.688   3.028
   46    H    GLU   7           H        GLU   7  11.505  -3.803   3.178
   47    HA   GLU   7           HA       GLU   7  10.854  -6.589   3.303
   48   1HB   GLU   7          1HB       GLU   7  13.217  -6.911   3.758
   49   2HB   GLU   7          2HB       GLU   7  12.779  -6.178   2.211
   50   1HG   GLU   7          1HG       GLU   7  13.497  -3.951   2.991
   51   2HG   GLU   7          2HG       GLU   7  13.846  -4.609   4.606
   52    H    ASN   8           H        ASN   8   9.383  -6.219   4.923
   53    HA   ASN   8           HA       ASN   8  10.184  -6.076   7.743
   54   1HB   ASN   8          1HB       ASN   8   7.866  -6.449   8.264
   55   2HB   ASN   8          2HB       ASN   8   8.033  -5.191   7.062
   56   1HD2  ASN   8          1HD2      ASN   8   6.610  -5.285   5.449
   57   2HD2  ASN   8          2HD2      ASN   8   5.813  -6.726   4.849
   58    H    LYS   9           H        LYS   9   9.277  -7.987   9.237
   59    HA   LYS   9           HA       LYS   9  11.156  -9.969   8.386
   60   1HB   LYS   9          1HB       LYS   9  10.893  -8.654  10.714
   61   2HB   LYS   9          2HB       LYS   9   9.839 -10.004  11.106
   62   1HG   LYS   9          1HG       LYS   9  12.812 -10.084  10.350
   63   2HG   LYS   9          2HG       LYS   9  12.101 -10.294  11.943
   64   1HD   LYS   9          1HD       LYS   9  12.423 -12.498  11.457
   65   2HD   LYS   9          2HD       LYS   9  10.793 -12.297  10.814
   66   1HE   LYS   9          1HE       LYS   9  12.291 -11.627   8.599
   67   2HE   LYS   9          2HE       LYS   9  13.453 -12.670   9.409
   68   1HZ   LYS   9          1HZ       LYS   9  10.700 -13.303   8.591
   69   2HZ   LYS   9          2HZ       LYS   9  12.060 -13.873   7.867
   70   3HZ   LYS   9          3HZ       LYS   9  11.673 -14.386   9.390
   71    H    LYS  10           H        LYS  10   7.701  -9.532   9.030
   72    HA   LYS  10           HA       LYS  10   6.791 -12.201   9.109
   73   1HB   LYS  10          1HB       LYS  10   5.583  -9.995   7.398
   74   2HB   LYS  10          2HB       LYS  10   4.781 -11.482   7.872
   75   1HG   LYS  10          1HG       LYS  10   5.465  -9.073   9.572
   76   2HG   LYS  10          2HG       LYS  10   3.907  -9.685   9.079
   77   1HD   LYS  10          1HD       LYS  10   3.878 -10.659  11.150
   78   2HD   LYS  10          2HD       LYS  10   4.795 -11.933  10.339
   79   1HE   LYS  10          1HE       LYS  10   6.938 -10.615  11.064
   80   2HE   LYS  10          2HE       LYS  10   5.844  -9.584  11.975
   81   1HZ   LYS  10          1HZ       LYS  10   5.194 -11.448  13.278
   82   2HZ   LYS  10          2HZ       LYS  10   6.227 -12.438  12.449
   83   3HZ   LYS  10          3HZ       LYS  10   6.813 -11.182  13.343
   84    H    GLY  11           H        GLY  11   7.293 -10.257   6.135
   85   1HA   GLY  11          1HA       GLY  11   8.429 -12.249   4.481
   86   2HA   GLY  11          2HA       GLY  11   6.667 -12.456   4.406
   87    H    ASN  12           H        ASN  12   8.933  -9.760   4.573
   88    HA   ASN  12           HA       ASN  12   8.886  -7.685   3.569
   89   1HB   ASN  12          1HB       ASN  12   9.378  -9.473   1.213
   90   2HB   ASN  12          2HB       ASN  12  10.034  -7.866   1.461
   91   1HD2  ASN  12          1HD2      ASN  12  10.643  -8.767   4.554
   92   2HD2  ASN  12          2HD2      ASN  12  12.132  -9.605   4.239
   93    H    VAL  13           H        VAL  13   7.215  -6.374   3.245
   94    HA   VAL  13           HA       VAL  13   4.893  -7.262   1.662
   95    HB   VAL  13           HB       VAL  13   5.388  -4.891   3.444
   96   1HG1  VAL  13          1HG1      VAL  13   2.989  -4.188   2.682
   97   2HG1  VAL  13          2HG1      VAL  13   4.377  -3.672   1.705
   98   3HG1  VAL  13          3HG1      VAL  13   3.360  -5.042   1.192
   99   1HG2  VAL  13          1HG2      VAL  13   3.708  -5.880   4.692
  100   2HG2  VAL  13          2HG2      VAL  13   2.862  -6.536   3.273
  101   3HG2  VAL  13          3HG2      VAL  13   4.318  -7.324   3.857
  102    H    THR  14           H        THR  14   4.721  -6.983  -0.419
  103    HA   THR  14           HA       THR  14   6.527  -5.072  -1.824
  104    HB   THR  14           HB       THR  14   4.759  -7.326  -2.852
  105    HG1  THR  14           HG1      THR  14   6.599  -7.885  -1.468
  106   1HG2  THR  14          1HG2      THR  14   5.250  -5.647  -4.612
  107   2HG2  THR  14          2HG2      THR  14   6.979  -5.711  -4.193
  108   3HG2  THR  14          3HG2      THR  14   6.175  -7.134  -4.884
  109    H    PHE  15           H        PHE  15   5.726  -3.134  -2.608
  110    HA   PHE  15           HA       PHE  15   2.806  -2.986  -3.226
  111   1HB   PHE  15          1HB       PHE  15   2.834  -0.621  -2.564
  112   2HB   PHE  15          2HB       PHE  15   3.015  -1.737  -1.235
  113    HD1  PHE  15           HD1      PHE  15   5.379  -2.211  -0.303
  114    HD2  PHE  15           HD2      PHE  15   4.360   1.196  -2.765
  115    HE1  PHE  15           HE1      PHE  15   7.234  -0.916   0.688
  116    HE2  PHE  15           HE2      PHE  15   6.120   2.523  -1.631
  117    HZ   PHE  15           HZ       PHE  15   7.502   1.471   0.155
  118    H    ASP  16           H        ASP  16   2.718  -3.022  -5.372
  119    HA   ASP  16           HA       ASP  16   4.873  -2.006  -7.013
  120   1HB   ASP  16          1HB       ASP  16   3.501  -3.933  -7.672
  121   2HB   ASP  16          2HB       ASP  16   2.128  -2.847  -7.934
  122    H    HIS  17           H        HIS  17   5.022  -0.059  -6.071
  123    HA   HIS  17           HA       HIS  17   3.575   2.134  -5.764
  124   1HB   HIS  17          1HB       HIS  17   6.069   1.634  -5.564
  125   2HB   HIS  17          2HB       HIS  17   6.245   2.056  -7.259
  126    HD1  HIS  17           HND      HIS  17   7.930   3.566  -5.311
  127    HD2  HIS  17           HD       HIS  17   3.911   4.556  -6.020
  128    HE1  HIS  17           HE       HIS  17   7.570   5.857  -4.324
  129    H    LYS  18           H        LYS  18   5.226   1.655  -8.919
  130    HA   LYS  18           HA       LYS  18   3.805   3.711 -10.291
  131   1HB   LYS  18          1HB       LYS  18   5.408   3.600 -11.659
  132   2HB   LYS  18          2HB       LYS  18   6.094   2.366 -10.739
  133   1HG   LYS  18          1HG       LYS  18   4.030   1.731 -12.832
  134   2HG   LYS  18          2HG       LYS  18   5.713   1.979 -13.186
  135   1HD   LYS  18          1HD       LYS  18   6.513   0.110 -12.140
  136   2HD   LYS  18          2HD       LYS  18   5.257   0.142 -10.920
  137   1HE   LYS  18          1HE       LYS  18   3.578  -0.568 -12.734
  138   2HE   LYS  18          2HE       LYS  18   4.951  -0.821 -13.816
  139   1HZ   LYS  18          1HZ       LYS  18   4.199  -2.835 -12.623
  140   2HZ   LYS  18          2HZ       LYS  18   5.752  -2.479 -12.204
  141   3HZ   LYS  18          3HZ       LYS  18   4.508  -2.146 -11.198
  142    H    ALA  19           H        ALA  19   3.276   0.118 -10.265
  143    HA   ALA  19           HA       ALA  19   1.102   0.087 -12.034
  144   1HB   ALA  19          1HB       ALA  19   1.316  -1.355  -9.424
  145   2HB   ALA  19          2HB       ALA  19   0.167  -1.744 -10.712
  146   3HB   ALA  19          3HB       ALA  19   1.905  -1.949 -11.021
  147    H    HIS  20           H        HIS  20   0.968   0.699  -8.465
  148    HA   HIS  20           HA       HIS  20  -1.857   1.212  -8.372
  149   1HB   HIS  20          1HB       HIS  20   0.462   2.083  -6.605
  150   2HB   HIS  20          2HB       HIS  20  -1.194   2.577  -6.309
  151    HD1  HIS  20           HND      HIS  20   0.671  -0.767  -6.740
  152    HD2  HIS  20           HD       HIS  20  -2.572   1.001  -4.735
  153    HE1  HIS  20           HE       HIS  20  -0.322  -2.555  -5.228
  154    H    ALA  21           H        ALA  21   0.963   3.172  -9.167
  155    HA   ALA  21           HA       ALA  21  -0.419   5.710  -9.174
  156   1HB   ALA  21          1HB       ALA  21   1.986   5.063 -10.907
  157   2HB   ALA  21          2HB       ALA  21   1.426   6.623 -10.321
  158   3HB   ALA  21          3HB       ALA  21   2.085   5.419  -9.175
  159    H    GLU  22           H        GLU  22   0.293   3.489 -11.873
  160    HA   GLU  22           HA       GLU  22  -1.049   5.188 -13.805
  161   1HB   GLU  22          1HB       GLU  22  -0.545   3.478 -15.457
  162   2HB   GLU  22          2HB       GLU  22   0.866   3.870 -14.472
  163   1HG   GLU  22          1HG       GLU  22   0.340   1.811 -13.093
  164   2HG   GLU  22          2HG       GLU  22  -0.844   1.359 -14.328
  165    H    LYS  23           H        LYS  23  -1.914   2.102 -12.183
  166    HA   LYS  23           HA       LYS  23  -4.450   1.711 -13.319
  167   1HB   LYS  23          1HB       LYS  23  -3.378   1.173 -10.517
  168   2HB   LYS  23          2HB       LYS  23  -4.862   0.475 -11.151
  169   1HG   LYS  23          1HG       LYS  23  -2.154   0.035 -12.534
  170   2HG   LYS  23          2HG       LYS  23  -2.737  -0.953 -11.182
  171   1HD   LYS  23          1HD       LYS  23  -4.778  -1.429 -12.462
  172   2HD   LYS  23          2HD       LYS  23  -4.130  -0.522 -13.853
  173   1HE   LYS  23          1HE       LYS  23  -2.417  -2.127 -14.260
  174   2HE   LYS  23          2HE       LYS  23  -2.494  -2.761 -12.604
  175   1HZ   LYS  23          1HZ       LYS  23  -4.530  -3.743 -13.004
  176   2HZ   LYS  23          2HZ       LYS  23  -4.633  -3.201 -14.561
  177   3HZ   LYS  23          3HZ       LYS  23  -3.471  -4.298 -14.115
  178    H    LEU  24           H        LEU  24  -3.508   3.616 -10.390
  179    HA   LEU  24           HA       LEU  24  -6.359   4.293  -9.984
  180   1HB   LEU  24          1HB       LEU  24  -4.037   4.910  -8.165
  181   2HB   LEU  24          2HB       LEU  24  -5.754   4.843  -7.775
  182    HG   LEU  24           HG       LEU  24  -4.192   2.364  -8.672
  183   1HD1  LEU  24          1HD1      LEU  24  -4.715   3.284  -5.843
  184   2HD1  LEU  24          2HD1      LEU  24  -3.963   1.766  -6.366
  185   3HD1  LEU  24          3HD1      LEU  24  -3.170   3.332  -6.663
  186   1HD2  LEU  24          1HD2      LEU  24  -5.992   1.162  -7.593
  187   2HD2  LEU  24          2HD2      LEU  24  -6.833   2.687  -7.225
  188   3HD2  LEU  24          3HD2      LEU  24  -6.612   2.168  -8.914
  189    H    GLY  25           H        GLY  25  -3.149   6.030 -10.209
  190   1HA   GLY  25          1HA       GLY  25  -3.569   8.005 -11.787
  191   2HA   GLY  25          2HA       GLY  25  -4.539   8.640 -10.435
  192    H    CYS  26           H        CYS  26  -3.493   8.791  -8.360
  193    HA   CYS  26           HA       CYS  26  -0.777   8.399  -7.769
  194   1HB   CYS  26          1HB       CYS  26  -0.566  10.369  -9.597
  195   2HB   CYS  26          2HB       CYS  26  -1.171  11.363  -8.296
  196    H    ASP  27           H        ASP  27  -3.375  10.569  -7.601
  197    HA   ASP  27           HA       ASP  27  -3.616  11.825  -5.147
  198   1HB   ASP  27          1HB       ASP  27  -6.016  11.613  -5.670
  199   2HB   ASP  27          2HB       ASP  27  -5.084  12.174  -7.059
  200    H    ALA  28           H        ALA  28  -4.523   8.605  -6.179
  201    HA   ALA  28           HA       ALA  28  -5.632   7.252  -4.202
  202   1HB   ALA  28          1HB       ALA  28  -3.116   6.476  -5.729
  203   2HB   ALA  28          2HB       ALA  28  -4.077   5.321  -4.790
  204   3HB   ALA  28          3HB       ALA  28  -4.804   6.171  -6.177
  205    H    CYS  29           H        CYS  29  -2.197   8.158  -4.106
  206    HA   CYS  29           HA       CYS  29  -2.149   7.692  -1.140
  207   1HB   CYS  29          1HB       CYS  29   0.091   7.139  -3.041
  208   2HB   CYS  29          2HB       CYS  29   0.043   6.772  -1.307
  209    H    HIS  30           H        HIS  30  -1.041   9.723  -3.890
  210    HA   HIS  30           HA       HIS  30   0.000  11.700  -1.913
  211   1HB   HIS  30          1HB       HIS  30   1.185  11.128  -4.637
  212   2HB   HIS  30          2HB       HIS  30   1.764  12.269  -3.440
  213    HD1  HIS  30           HND      HIS  30   3.294  11.184  -1.496
  214    HD2  HIS  30           HD       HIS  30   1.985   8.781  -4.641
  215    HE1  HIS  30           HE       HIS  30   5.048   9.271  -1.821
  216    H    GLU  31           H        GLU  31  -1.166  13.456  -2.125
  217    HA   GLU  31           HA       GLU  31  -2.731  13.977  -4.603
  218   1HB   GLU  31          1HB       GLU  31  -3.054  16.083  -2.646
  219   2HB   GLU  31          2HB       GLU  31  -4.219  14.962  -3.339
  220   1HG   GLU  31          1HG       GLU  31  -3.568  13.253  -1.676
  221   2HG   GLU  31          2HG       GLU  31  -2.444  14.417  -0.926
  222    H    GLY  32           H        GLY  32  -0.012  15.342  -2.759
  223   1HA   GLY  32          1HA       GLY  32   1.011  16.731  -5.046
  224   2HA   GLY  32          2HA       GLY  32   0.401  17.812  -3.762
  225    H    THR  33           H        THR  33   3.090  17.430  -4.516
  226    HA   THR  33           HA       THR  33   5.223  17.051  -3.750
  227    HB   THR  33           HB       THR  33   4.002  17.726  -1.054
  228    HG1  THR  33           HG1      THR  33   3.239  19.158  -2.587
  229   1HG2  THR  33          1HG2      THR  33   6.449  17.212  -1.027
  230   2HG2  THR  33          2HG2      THR  33   6.700  18.381  -2.344
  231   3HG2  THR  33          3HG2      THR  33   6.139  18.935  -0.755
  232    HA   PRO  34           HA       PRO  34   3.810  12.837  -2.517
  233   1HB   PRO  34          1HB       PRO  34   5.842  11.385  -3.770
  234   2HB   PRO  34          2HB       PRO  34   4.203  11.701  -4.405
  235   1HG   PRO  34          1HG       PRO  34   6.729  13.206  -4.971
  236   2HG   PRO  34          2HG       PRO  34   5.378  12.826  -6.090
  237   1HD   PRO  34          1HD       PRO  34   5.669  15.291  -5.032
  238   2HD   PRO  34          2HD       PRO  34   4.037  14.572  -5.157
  239    H    ALA  35           H        ALA  35   7.294  13.475  -2.740
  240    HA   ALA  35           HA       ALA  35   8.989  13.534  -1.322
  241   1HB   ALA  35          1HB       ALA  35   6.918  13.488   0.905
  242   2HB   ALA  35          2HB       ALA  35   8.607  14.014   1.019
  243   3HB   ALA  35          3HB       ALA  35   7.464  14.923   0.011
  244    H    LYS  36           H        LYS  36   6.698  11.187  -0.056
  245    HA   LYS  36           HA       LYS  36   7.310   8.847  -0.002
  246   1HB   LYS  36          1HB       LYS  36   8.984   8.070   1.509
  247   2HB   LYS  36          2HB       LYS  36   9.779   9.071   0.341
  248   1HG   LYS  36          1HG       LYS  36  10.290  10.712   1.908
  249   2HG   LYS  36          2HG       LYS  36   8.915  10.387   2.951
  250   1HD   LYS  36          1HD       LYS  36  11.243   8.468   2.558
  251   2HD   LYS  36          2HD       LYS  36  11.147   9.624   3.893
  252   1HE   LYS  36          1HE       LYS  36   9.619   8.385   5.070
  253   2HE   LYS  36          2HE       LYS  36   8.669   8.006   3.652
  254   1HZ   LYS  36          1HZ       LYS  36  10.542   6.421   3.060
  255   2HZ   LYS  36          2HZ       LYS  36  10.919   6.447   4.669
  256   3HZ   LYS  36          3HZ       LYS  36   9.443   5.953   4.052
  257    H    ILE  37           H        ILE  37   6.331   7.624   1.679
  258    HA   ILE  37           HA       ILE  37   4.616   9.365   3.376
  259    HB   ILE  37           HB       ILE  37   3.926   6.589   2.448
  260   1HG1  ILE  37          1HG1      ILE  37   3.694   9.122   0.802
  261   2HG1  ILE  37          2HG1      ILE  37   4.555   7.613   0.425
  262   1HG2  ILE  37          1HG2      ILE  37   2.222   9.059   3.020
  263   2HG2  ILE  37          2HG2      ILE  37   1.627   7.414   2.727
  264   3HG2  ILE  37          3HG2      ILE  37   2.538   7.766   4.194
  265   1HD1  ILE  37          1HD1      ILE  37   2.329   6.414   0.429
  266   2HD1  ILE  37          2HD1      ILE  37   1.542   8.009   0.536
  267   3HD1  ILE  37          3HD1      ILE  37   2.534   7.607  -0.864
  268    H    ALA  38           H        ALA  38   6.415   6.395   3.319
  269    HA   ALA  38           HA       ALA  38   7.099   4.879   4.898
  270   1HB   ALA  38          1HB       ALA  38   8.017   6.827   6.073
  271   2HB   ALA  38          2HB       ALA  38   6.514   6.983   7.004
  272   3HB   ALA  38          3HB       ALA  38   7.501   5.520   7.162
  273    H    ILE  39           H        ILE  39   5.151   3.832   3.994
  274    HA   ILE  39           HA       ILE  39   2.844   3.732   5.866
  275    HB   ILE  39           HB       ILE  39   3.257   2.413   3.186
  276   1HG1  ILE  39          1HG1      ILE  39   2.809   4.809   3.049
  277   2HG1  ILE  39          2HG1      ILE  39   1.410   3.860   2.585
  278   1HG2  ILE  39          1HG2      ILE  39   1.165   2.087   5.346
  279   2HG2  ILE  39          2HG2      ILE  39   0.684   1.976   3.654
  280   3HG2  ILE  39          3HG2      ILE  39   1.902   0.863   4.286
  281   1HD1  ILE  39          1HD1      ILE  39   0.536   5.653   3.846
  282   2HD1  ILE  39          2HD1      ILE  39   0.496   4.279   4.956
  283   3HD1  ILE  39          3HD1      ILE  39   1.772   5.507   5.101
  284    H    ASP  40           H        ASP  40   3.874   3.189   7.508
  285    HA   ASP  40           HA       ASP  40   5.187   0.522   7.852
  286   1HB   ASP  40          1HB       ASP  40   5.030   2.998   9.455
  287   2HB   ASP  40          2HB       ASP  40   4.718   1.614  10.420
  288    H    LYS  41           H        LYS  41   4.378  -0.646   9.570
  289    HA   LYS  41           HA       LYS  41   1.944  -1.840   9.690
  290   1HB   LYS  41          1HB       LYS  41   2.493  -2.399  12.007
  291   2HB   LYS  41          2HB       LYS  41   3.792  -2.643  10.854
  292   1HG   LYS  41          1HG       LYS  41   4.672  -0.272  11.628
  293   2HG   LYS  41          2HG       LYS  41   3.516  -0.470  12.944
  294   1HD   LYS  41          1HD       LYS  41   5.558  -1.106  13.765
  295   2HD   LYS  41          2HD       LYS  41   4.663  -2.609  13.550
  296   1HE   LYS  41          1HE       LYS  41   7.100  -2.798  12.949
  297   2HE   LYS  41          2HE       LYS  41   6.018  -3.196  11.621
  298   1HZ   LYS  41          1HZ       LYS  41   6.371  -1.141  10.635
  299   2HZ   LYS  41          2HZ       LYS  41   7.430  -0.564  11.656
  300   3HZ   LYS  41          3HZ       LYS  41   7.675  -1.954  10.697
  301    H    LYS  42           H        LYS  42   2.840   1.062  11.488
  302    HA   LYS  42           HA       LYS  42   0.535   1.608  12.889
  303   1HB   LYS  42          1HB       LYS  42   2.763   3.277  11.682
  304   2HB   LYS  42          2HB       LYS  42   1.443   4.156  12.426
  305   1HG   LYS  42          1HG       LYS  42   2.604   1.882  13.995
  306   2HG   LYS  42          2HG       LYS  42   3.606   3.310  13.755
  307   1HD   LYS  42          1HD       LYS  42   2.395   3.476  15.847
  308   2HD   LYS  42          2HD       LYS  42   1.962   4.789  14.768
  309   1HE   LYS  42          1HE       LYS  42   0.246   2.266  15.159
  310   2HE   LYS  42          2HE       LYS  42   0.111   3.711  16.158
  311   1HZ   LYS  42          1HZ       LYS  42  -0.375   4.973  14.120
  312   2HZ   LYS  42          2HZ       LYS  42  -0.538   3.567  13.282
  313   3HZ   LYS  42          3HZ       LYS  42  -1.513   3.870  14.543
  314    H    SER  43           H        SER  43   1.105   2.423   9.527
  315    HA   SER  43           HA       SER  43  -1.529   3.834   9.361
  316   1HB   SER  43          1HB       SER  43   0.887   3.858   7.519
  317   2HB   SER  43          2HB       SER  43  -0.624   4.763   7.305
  318    HG   SER  43           HG       SER  43  -0.187   5.881   9.191
  319    H    ALA  44           H        ALA  44   0.569   1.502   7.735
  320    HA   ALA  44           HA       ALA  44  -0.896   0.492   5.655
  321   1HB   ALA  44          1HB       ALA  44   1.464  -0.045   6.348
  322   2HB   ALA  44          2HB       ALA  44   0.819  -1.078   7.623
  323   3HB   ALA  44          3HB       ALA  44   0.481  -1.479   5.926
  324    H    HIS  45           H        HIS  45  -0.959  -0.636   9.085
  325    HA   HIS  45           HA       HIS  45  -3.230  -2.453   8.454
  326   1HB   HIS  45          1HB       HIS  45  -1.088  -2.306  10.577
  327   2HB   HIS  45          2HB       HIS  45  -2.618  -3.045  10.972
  328    HD1  HIS  45           HND      HIS  45  -3.066  -5.372  10.253
  329    HD2  HIS  45           HD       HIS  45   0.301  -3.637   8.415
  330    HE1  HIS  45           HE       HIS  45  -1.865  -7.229   9.069
  331    H    LYS  46           H        LYS  46  -3.335   0.658   8.788
  332    HA   LYS  46           HA       LYS  46  -5.525   0.641  10.829
  333   1HB   LYS  46          1HB       LYS  46  -3.414   1.515  11.710
  334   2HB   LYS  46          2HB       LYS  46  -3.360   2.735  10.446
  335   1HG   LYS  46          1HG       LYS  46  -5.616   2.483  12.505
  336   2HG   LYS  46          2HG       LYS  46  -4.147   3.462  12.715
  337   1HD   LYS  46          1HD       LYS  46  -4.702   4.548  10.512
  338   2HD   LYS  46          2HD       LYS  46  -6.345   3.868  10.671
  339   1HE   LYS  46          1HE       LYS  46  -6.661   5.153  12.754
  340   2HE   LYS  46          2HE       LYS  46  -4.990   5.750  12.650
  341   1HZ   LYS  46          1HZ       LYS  46  -6.453   7.393  11.759
  342   2HZ   LYS  46          2HZ       LYS  46  -5.563   6.764  10.521
  343   3HZ   LYS  46          3HZ       LYS  46  -7.118   6.322  10.697
  344    H    ASP  47           H        ASP  47  -4.146   2.952   8.413
  345    HA   ASP  47           HA       ASP  47  -6.885   3.241   7.282
  346   1HB   ASP  47          1HB       ASP  47  -6.452   5.695   7.139
  347   2HB   ASP  47          2HB       ASP  47  -6.672   5.077   8.766
  348    H    ALA  48           H        ALA  48  -3.529   2.929   6.495
  349    HA   ALA  48           HA       ALA  48  -3.980   4.054   3.816
  350   1HB   ALA  48          1HB       ALA  48  -1.674   3.298   3.379
  351   2HB   ALA  48          2HB       ALA  48  -1.849   4.330   4.811
  352   3HB   ALA  48          3HB       ALA  48  -1.614   2.589   5.012
  353    H    CYS  49           H        CYS  49  -2.384   0.982   4.039
  354    HA   CYS  49           HA       CYS  49  -3.364   0.277   1.530
  355   1HB   CYS  49          1HB       CYS  49  -2.384  -1.700   3.577
  356   2HB   CYS  49          2HB       CYS  49  -2.301  -1.855   1.824
  357    H    LYS  50           H        LYS  50  -4.350  -1.098   4.695
  358    HA   LYS  50           HA       LYS  50  -6.211  -2.915   3.569
  359   1HB   LYS  50          1HB       LYS  50  -6.057  -1.815   6.386
  360   2HB   LYS  50          2HB       LYS  50  -7.086  -3.150   5.867
  361   1HG   LYS  50          1HG       LYS  50  -4.498  -3.785   4.857
  362   2HG   LYS  50          2HG       LYS  50  -4.208  -3.111   6.446
  363   1HD   LYS  50          1HD       LYS  50  -4.375  -5.475   6.662
  364   2HD   LYS  50          2HD       LYS  50  -5.840  -4.787   7.387
  365   1HE   LYS  50          1HE       LYS  50  -7.123  -5.341   5.324
  366   2HE   LYS  50          2HE       LYS  50  -5.661  -5.934   4.532
  367   1HZ   LYS  50          1HZ       LYS  50  -5.658  -7.832   5.941
  368   2HZ   LYS  50          2HZ       LYS  50  -6.710  -7.135   7.007
  369   3HZ   LYS  50          3HZ       LYS  50  -7.205  -7.606   5.534
  370    H    THR  51           H        THR  51  -6.660   0.555   4.140
  371    HA   THR  51           HA       THR  51  -9.551   0.368   4.410
  372    HB   THR  51           HB       THR  51  -7.724   2.681   3.664
  373    HG1  THR  51           HG1      THR  51  -7.624   1.970   5.788
  374   1HG2  THR  51          1HG2      THR  51  -9.918   3.156   2.660
  375   2HG2  THR  51          2HG2      THR  51 -10.733   2.679   4.170
  376   3HG2  THR  51          3HG2      THR  51  -9.690   4.116   4.127
  377    H    CYS  52           H        CYS  52  -7.455   1.364   1.651
  378    HA   CYS  52           HA       CYS  52  -9.419   1.242  -0.401
  379   1HB   CYS  52          1HB       CYS  52  -6.427   0.815  -0.242
  380   2HB   CYS  52          2HB       CYS  52  -7.323   0.329  -1.685
  381    H    HIS  53           H        HIS  53  -7.135  -1.278   0.768
  382    HA   HIS  53           HA       HIS  53  -8.015  -3.153  -1.157
  383   1HB   HIS  53          1HB       HIS  53  -6.419  -3.323   1.388
  384   2HB   HIS  53          2HB       HIS  53  -6.957  -4.784   0.563
  385    HD1  HIS  53           HND      HIS  53  -4.767  -5.621  -0.390
  386    HD2  HIS  53           HD       HIS  53  -5.498  -1.580  -1.341
  387    HE1  HIS  53           HE       HIS  53  -3.110  -4.964  -2.132
  388    H    LYS  54           H        LYS  54  -9.418  -2.405   2.033
  389    HA   LYS  54           HA       LYS  54 -11.220  -4.660   2.070
  390   1HB   LYS  54          1HB       LYS  54 -11.270  -1.949   3.364
  391   2HB   LYS  54          2HB       LYS  54 -12.638  -3.070   3.442
  392   1HG   LYS  54          1HG       LYS  54 -11.334  -4.788   4.542
  393   2HG   LYS  54          2HG       LYS  54  -9.832  -3.988   4.099
  394   1HD   LYS  54          1HD       LYS  54  -9.960  -3.485   6.312
  395   2HD   LYS  54          2HD       LYS  54 -10.547  -2.016   5.549
  396   1HE   LYS  54          1HE       LYS  54 -12.212  -4.225   6.892
  397   2HE   LYS  54          2HE       LYS  54 -11.874  -2.621   7.554
  398   1HZ   LYS  54          1HZ       LYS  54 -13.107  -1.692   5.674
  399   2HZ   LYS  54          2HZ       LYS  54 -13.503  -3.213   5.184
  400   3HZ   LYS  54          3HZ       LYS  54 -14.038  -2.657   6.631
  401    H    SER  55           H        SER  55 -11.548  -1.239   0.760
  402    HA   SER  55           HA       SER  55 -14.197  -1.898  -0.329
  403   1HB   SER  55          1HB       SER  55 -13.899   0.505  -1.221
  404   2HB   SER  55          2HB       SER  55 -14.034   0.262   0.526
  405    HG   SER  55           HG       SER  55 -12.271   1.656  -0.122
  406    H    ASN  56           H        ASN  56 -12.407  -3.742  -1.351
  407    HA   ASN  56           HA       ASN  56 -12.584  -3.287  -4.207
  408   1HB   ASN  56          1HB       ASN  56  -9.898  -3.264  -2.761
  409   2HB   ASN  56          2HB       ASN  56 -10.031  -4.007  -4.349
  410   1HD2  ASN  56          1HD2      ASN  56  -9.970  -0.952  -2.669
  411   2HD2  ASN  56          2HD2      ASN  56  -9.990   0.041  -4.122
  412    H    ASN  57           H        ASN  57 -11.867  -5.316  -5.307
  413    HA   ASN  57           HA       ASN  57 -12.562  -7.748  -3.783
  414   1HB   ASN  57          1HB       ASN  57 -11.663  -7.243  -6.649
  415   2HB   ASN  57          2HB       ASN  57 -11.934  -8.858  -5.987
  416   1HD2  ASN  57          1HD2      ASN  57 -14.101  -9.482  -5.282
  417   2HD2  ASN  57          2HD2      ASN  57 -15.483  -8.625  -5.945
  418    H    GLY  58           H        GLY  58 -10.804  -7.026  -2.212
  419   1HA   GLY  58          1HA       GLY  58  -8.038  -7.792  -3.105
  420   2HA   GLY  58          2HA       GLY  58  -8.480  -6.465  -2.017
  421    HA   PRO  59           HA       PRO  59  -7.279 -10.417   0.301
  422   1HB   PRO  59          1HB       PRO  59  -5.220  -9.366   1.785
  423   2HB   PRO  59          2HB       PRO  59  -5.027  -9.976   0.115
  424   1HG   PRO  59          1HG       PRO  59  -5.525  -7.106   0.973
  425   2HG   PRO  59          2HG       PRO  59  -4.212  -7.683  -0.096
  426   1HD   PRO  59          1HD       PRO  59  -6.444  -6.707  -1.194
  427   2HD   PRO  59          2HD       PRO  59  -5.757  -8.217  -1.850
  428    H    THR  60           H        THR  60  -8.529 -10.879   2.010
  429    HA   THR  60           HA       THR  60  -9.984  -8.762   3.380
  430    HB   THR  60           HB       THR  60 -11.046 -10.920   4.355
  431    HG1  THR  60           HG1      THR  60 -10.357 -12.692   2.714
  432   1HG2  THR  60          1HG2      THR  60 -12.015  -9.711   2.409
  433   2HG2  THR  60          2HG2      THR  60 -10.963 -10.619   1.309
  434   3HG2  THR  60          3HG2      THR  60 -12.214 -11.463   2.246
  435    H    LYS  61           H        LYS  61  -8.306 -11.685   4.397
  436    HA   LYS  61           HA       LYS  61  -7.369 -10.458   6.932
  437   1HB   LYS  61          1HB       LYS  61  -7.107 -13.286   5.830
  438   2HB   LYS  61          2HB       LYS  61  -6.497 -12.728   7.404
  439   1HG   LYS  61          1HG       LYS  61  -8.809 -12.096   8.060
  440   2HG   LYS  61          2HG       LYS  61  -9.409 -12.669   6.490
  441   1HD   LYS  61          1HD       LYS  61  -8.543 -14.944   6.990
  442   2HD   LYS  61          2HD       LYS  61  -7.967 -14.373   8.571
  443   1HE   LYS  61          1HE       LYS  61 -10.306 -13.793   9.218
  444   2HE   LYS  61          2HE       LYS  61 -10.885 -14.337   7.634
  445   1HZ   LYS  61          1HZ       LYS  61 -10.130 -16.551   8.184
  446   2HZ   LYS  61          2HZ       LYS  61  -9.593 -16.048   9.658
  447   3HZ   LYS  61          3HZ       LYS  61 -11.197 -16.005   9.308
  448    H    CYS  62           H        CYS  62  -5.407 -12.659   4.981
  449    HA   CYS  62           HA       CYS  62  -3.274 -10.645   4.836
  450   1HB   CYS  62          1HB       CYS  62  -2.638 -13.440   5.673
  451   2HB   CYS  62          2HB       CYS  62  -1.703 -11.954   5.922
  452    H    GLY  63           H        GLY  63  -1.228 -12.272   3.958
  453   1HA   GLY  63          1HA       GLY  63  -0.463 -13.563   2.207
  454   2HA   GLY  63          2HA       GLY  63  -2.122 -13.830   1.651
  455    H    GLY  64           H        GLY  64  -2.978 -11.231   1.368
  456   1HA   GLY  64          1HA       GLY  64  -2.615 -10.304  -1.092
  457   2HA   GLY  64          2HA       GLY  64  -2.760  -9.230   0.323
  458    H    CYS  65           H        CYS  65  -0.633  -9.012   1.564
  459    HA   CYS  65           HA       CYS  65   1.049  -7.565  -0.406
  460   1HB   CYS  65          1HB       CYS  65   0.607  -7.069   2.515
  461   2HB   CYS  65          2HB       CYS  65   1.257  -5.933   1.321
  462    H    HIS  66           H        HIS  66   1.304  -9.408   2.642
  463    HA   HIS  66           HA       HIS  66   4.219  -9.472   2.629
  464   1HB   HIS  66          1HB       HIS  66   2.247 -11.198   4.173
  465   2HB   HIS  66          2HB       HIS  66   3.973 -11.142   4.386
  466    HD1  HIS  66           HND      HIS  66   5.013  -8.992   5.706
  467    HD2  HIS  66           HD       HIS  66   0.814  -9.075   5.245
  468    HE1  HIS  66           HE       HIS  66   4.010  -7.230   7.253
  469    H    ILE  67           H        ILE  67   5.376 -10.894   1.360
  470    HA   ILE  67           HA       ILE  67   3.929 -12.990  -0.156
  471    HB   ILE  67           HB       ILE  67   6.852 -12.205  -0.273
  472   1HG1  ILE  67          1HG1      ILE  67   4.304 -11.376  -1.719
  473   2HG1  ILE  67          2HG1      ILE  67   5.611 -10.365  -1.086
  474   1HG2  ILE  67          1HG2      ILE  67   6.358 -14.599  -0.877
  475   2HG2  ILE  67          2HG2      ILE  67   5.139 -14.035  -2.032
  476   3HG2  ILE  67          3HG2      ILE  67   6.863 -13.660  -2.268
  477   1HD1  ILE  67          1HD1      ILE  67   5.700 -10.379  -3.488
  478   2HD1  ILE  67          2HD1      ILE  67   7.089 -11.326  -2.892
  479   3HD1  ILE  67          3HD1      ILE  67   5.634 -12.152  -3.531
  480    H    LYS  68           H        LYS  68   3.261 -14.133   1.406
  481    HA   LYS  68           HA       LYS  68   3.193 -16.119   2.617
  482   1HB   LYS  68          1HB       LYS  68   5.694 -16.572   1.879
  483   2HB   LYS  68          2HB       LYS  68   6.085 -15.862   3.446
  484   1HG   LYS  68          1HG       LYS  68   6.036 -18.139   3.916
  485   2HG   LYS  68          2HG       LYS  68   4.472 -17.566   4.478
  486   1HD   LYS  68          1HD       LYS  68   4.036 -19.594   3.358
  487   2HD   LYS  68          2HD       LYS  68   3.492 -18.336   2.240
  488   1HE   LYS  68          1HE       LYS  68   5.651 -18.569   0.962
  489   2HE   LYS  68          2HE       LYS  68   6.190 -19.795   2.119
  490   1HZ   LYS  68          1HZ       LYS  68   5.314 -20.762   0.131
  491   2HZ   LYS  68          2HZ       LYS  68   4.353 -21.169   1.401
  492   3HZ   LYS  68          3HZ       LYS  68   3.863 -20.017   0.329
  493    HHA  HEC  69           HCM      HEC  69   8.163   7.288  -1.397
  494    HHB  HEC  69           HDM      HEC  69   6.518  10.487  -6.652
  495    HHC  HEC  69           HAM      HEC  69   1.226   6.892  -7.140
  496    HHD  HEC  69           HBM      HEC  69   2.628   4.266  -1.523
  497   1HMA  HEC  69          HM81      HEC  69   9.381  10.288  -6.192
  498   2HMA  HEC  69          HM82      HEC  69   8.252  11.575  -5.702
  499   3HMA  HEC  69          HM83      HEC  69   9.629  11.172  -4.673
  500   1HAA  HEC  69          HP71      HEC  69  10.127   9.944  -2.573
  501   2HAA  HEC  69          HP72      HEC  69   9.934   8.242  -2.165
  502   1HBA  HEC  69          HP73      HEC  69  11.146   9.391  -4.659
  503   2HBA  HEC  69          HP74      HEC  69  11.854   8.307  -3.468
  504   1HMB  HEC  69          HM11      HEC  69   3.779  11.424  -8.655
  505   2HMB  HEC  69          HM12      HEC  69   5.498  11.199  -8.357
  506   3HMB  HEC  69          HM13      HEC  69   4.729  10.301  -9.663
  507    HAB  HEC  69          HT2A      HEC  69   1.185   8.278  -8.708
  508   1HBB  HEC  69          HT21      HEC  69   2.846   8.775 -10.572
  509   2HBB  HEC  69          HT22      HEC  69   1.188   9.363 -10.727
  510   3HBB  HEC  69          HT23      HEC  69   2.463  10.491 -10.279
  511   1HMC  HEC  69          HM31      HEC  69  -0.152   4.779  -6.728
  512   2HMC  HEC  69          HM32      HEC  69  -1.146   4.687  -5.263
  513   3HMC  HEC  69          HM33      HEC  69  -0.785   6.258  -5.972
  514    HAC  HEC  69          HT4A      HEC  69   0.579   4.080  -1.796
  515   1HBC  HEC  69          HT41      HEC  69  -0.912   2.814  -4.090
  516   2HBC  HEC  69          HT42      HEC  69   0.619   2.165  -3.469
  517   3HBC  HEC  69          HT43      HEC  69  -0.805   2.279  -2.418
  518   1HMD  HEC  69          HM51      HEC  69   5.413   3.535   0.858
  519   2HMD  HEC  69          HM52      HEC  69   3.905   4.454   1.060
  520   3HMD  HEC  69          HM53      HEC  69   4.021   3.156  -0.148
  521   1HAD  HEC  69          HP61      HEC  69   7.663   6.673   0.553
  522   2HAD  HEC  69          HP62      HEC  69   6.602   5.611   1.424
  523   1HBD  HEC  69          HP63      HEC  69   7.909   3.676   0.627
  524   2HBD  HEC  69          HP64      HEC  69   8.935   4.778  -0.319
  525    HHA  HEC  70           HCM      HEC  70  -3.475  -5.204  -6.470
  526    HHB  HEC  70           HDM      HEC  70   0.535  -4.308  -1.524
  527    HHC  HEC  70           HAM      HEC  70  -2.330   1.281  -0.353
  528    HHD  HEC  70           HBM      HEC  70  -6.571   0.164  -4.895
  529   1HMA  HEC  70          HM81      HEC  70   0.193  -7.509  -3.406
  530   2HMA  HEC  70          HM82      HEC  70   1.405  -6.378  -4.048
  531   3HMA  HEC  70          HM83      HEC  70   0.913  -6.300  -2.350
  532   1HAA  HEC  70          HP71      HEC  70  -1.846  -6.789  -6.612
  533   2HAA  HEC  70          HP72      HEC  70  -0.660  -7.567  -5.585
  534   1HBA  HEC  70          HP73      HEC  70  -2.444  -8.083  -3.923
  535   2HBA  HEC  70          HP74      HEC  70  -3.638  -7.366  -5.014
  536   1HMB  HEC  70          HM11      HEC  70   1.201  -2.214   1.507
  537   2HMB  HEC  70          HM12      HEC  70   0.504  -3.717   0.902
  538   3HMB  HEC  70          HM13      HEC  70   1.866  -3.000   0.060
  539    HAB  HEC  70          HT2A      HEC  70  -0.806   1.091   0.997
  540   1HBB  HEC  70          HT21      HEC  70   1.940  -0.146   1.200
  541   2HBB  HEC  70          HT22      HEC  70   1.425   0.958  -0.084
  542   3HBB  HEC  70          HT23      HEC  70   1.426   1.497   1.592
  543   1HMC  HEC  70          HM31      HEC  70  -3.134   3.344  -1.178
  544   2HMC  HEC  70          HM32      HEC  70  -4.771   3.842  -1.587
  545   3HMC  HEC  70          HM33      HEC  70  -4.501   2.836  -0.152
  546    HAC  HEC  70          HT4A      HEC  70  -7.387   1.637  -3.548
  547   1HBC  HEC  70          HT41      HEC  70  -5.673   4.107  -3.716
  548   2HBC  HEC  70          HT42      HEC  70  -6.638   3.270  -4.973
  549   3HBC  HEC  70          HT43      HEC  70  -7.445   4.184  -3.706
  550   1HMD  HEC  70          HM51      HEC  70  -7.112  -1.669  -8.033
  551   2HMD  HEC  70          HM52      HEC  70  -8.108  -2.114  -6.634
  552   3HMD  HEC  70          HM53      HEC  70  -7.394  -0.496  -6.750
  553   1HAD  HEC  70          HP61      HEC  70  -5.411  -5.138  -7.638
  554   2HAD  HEC  70          HP62      HEC  70  -6.717  -4.041  -8.020
  555   1HBD  HEC  70          HP63      HEC  70  -5.054  -2.548  -9.197
  556   2HBD  HEC  70          HP64      HEC  70  -3.838  -3.810  -8.950
  557    HHA  HEC  71           HCM      HEC  71   4.312  -4.378   9.076
  558    HHB  HEC  71           HDM      HEC  71   1.136  -9.654  10.895
  559    HHC  HEC  71           HAM      HEC  71  -2.617  -9.042   5.797
  560    HHD  HEC  71           HBM      HEC  71   0.676  -4.048   3.819
  561   1HMA  HEC  71          HM81      HEC  71   2.724  -7.441  13.167
  562   2HMA  HEC  71          HM82      HEC  71   2.400  -9.065  12.559
  563   3HMA  HEC  71          HM83      HEC  71   4.065  -8.453  12.634
  564   1HAA  HEC  71          HP71      HEC  71   4.732  -4.894  11.355
  565   2HAA  HEC  71          HP72      HEC  71   5.028  -6.351  12.272
  566   1HBA  HEC  71          HP73      HEC  71   5.962  -6.274   9.412
  567   2HBA  HEC  71          HP74      HEC  71   6.836  -5.297  10.594
  568   1HMB  HEC  71          HM11      HEC  71  -1.490 -12.197   9.836
  569   2HMB  HEC  71          HM12      HEC  71   0.191 -11.841  10.235
  570   3HMB  HEC  71          HM13      HEC  71  -1.120 -11.024  11.123
  571    HAB  HEC  71          HT2A      HEC  71  -3.686 -10.018   7.340
  572   1HBB  HEC  71          HT21      HEC  71  -3.817  -9.285   9.670
  573   2HBB  HEC  71          HT22      HEC  71  -4.947 -10.589   9.259
  574   3HBB  HEC  71          HT23      HEC  71  -3.491 -10.951  10.196
  575   1HMC  HEC  71          HM31      HEC  71  -3.909  -7.859   4.032
  576   2HMC  HEC  71          HM32      HEC  71  -3.094  -7.529   2.485
  577   3HMC  HEC  71          HM33      HEC  71  -2.610  -8.919   3.448
  578    HAC  HEC  71          HT4A      HEC  71  -0.903  -4.292   2.493
  579   1HBC  HEC  71          HT41      HEC  71  -3.709  -5.408   2.434
  580   2HBC  HEC  71          HT42      HEC  71  -3.143  -3.889   3.146
  581   3HBC  HEC  71          HT43      HEC  71  -3.046  -4.131   1.400
  582   1HMD  HEC  71          HM51      HEC  71   2.853  -1.321   5.018
  583   2HMD  HEC  71          HM52      HEC  71   3.570  -2.443   3.880
  584   3HMD  HEC  71          HM53      HEC  71   1.806  -2.198   3.910
  585   1HAD  HEC  71          HP61      HEC  71   4.869  -2.046   5.925
  586   2HAD  HEC  71          HP62      HEC  71   4.229  -1.772   7.506
  587   1HBD  HEC  71          HP63      HEC  71   5.858  -4.223   7.483
  588   2HBD  HEC  71          HP64      HEC  71   6.708  -2.956   6.615
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1  11.013   1.321  -6.746
    2   2H    ALA   1          2H        ALA   1  12.233   2.302  -6.209
    3   3H    ALA   1          3H        ALA   1  10.645   2.689  -5.936
    4    HA   ALA   1           HA       ALA   1  11.465   4.092  -7.624
    5   1HB   ALA   1          1HB       ALA   1  12.126   1.485  -9.067
    6   2HB   ALA   1          2HB       ALA   1  12.167   3.107  -9.799
    7   3HB   ALA   1          3HB       ALA   1  13.266   2.703  -8.473
    8    H    ASP   2           H        ASP   2  10.284   1.822  -9.945
    9    HA   ASP   2           HA       ASP   2   7.578   2.726  -9.924
   10   1HB   ASP   2          1HB       ASP   2   7.535   0.928 -11.764
   11   2HB   ASP   2          2HB       ASP   2   8.757   2.181 -12.056
   12    H    VAL   3           H        VAL   3   9.472  -0.093  -8.930
   13    HA   VAL   3           HA       VAL   3   7.174  -0.768  -7.105
   14    HB   VAL   3           HB       VAL   3   7.519  -2.541  -8.706
   15   1HG1  VAL   3          1HG1      VAL   3   9.611  -3.859  -8.789
   16   2HG1  VAL   3          2HG1      VAL   3   9.852  -2.209  -9.362
   17   3HG1  VAL   3          3HG1      VAL   3  10.407  -2.671  -7.738
   18   1HG2  VAL   3          1HG2      VAL   3   7.769  -4.422  -7.233
   19   2HG2  VAL   3          2HG2      VAL   3   8.640  -3.457  -6.032
   20   3HG2  VAL   3          3HG2      VAL   3   6.919  -3.144  -6.358
   21    H    VAL   4           H        VAL   4   7.677  -1.313  -4.889
   22    HA   VAL   4           HA       VAL   4  10.459  -0.815  -3.980
   23    HB   VAL   4           HB       VAL   4   7.888   0.389  -2.880
   24   1HG1  VAL   4          1HG1      VAL   4  10.634   0.240  -1.549
   25   2HG1  VAL   4          2HG1      VAL   4   9.352   1.351  -1.044
   26   3HG1  VAL   4          3HG1      VAL   4   9.098  -0.382  -0.905
   27   1HG2  VAL   4          1HG2      VAL   4   9.120   2.516  -3.041
   28   2HG2  VAL   4          2HG2      VAL   4  10.512   1.654  -3.733
   29   3HG2  VAL   4          3HG2      VAL   4   8.964   1.738  -4.623
   30    H    THR   5           H        THR   5  10.633  -1.865  -1.705
   31    HA   THR   5           HA       THR   5   8.241  -3.200  -1.004
   32    HB   THR   5           HB       THR   5   9.508  -5.064  -2.124
   33    HG1  THR   5           HG1      THR   5   8.271  -5.163  -0.031
   34   1HG2  THR   5          1HG2      THR   5  11.559  -5.971  -1.150
   35   2HG2  THR   5          2HG2      THR   5  11.832  -4.306  -1.694
   36   3HG2  THR   5          3HG2      THR   5  11.626  -4.655   0.035
   37    H    TYR   6           H        TYR   6   7.930  -3.462   1.128
   38    HA   TYR   6           HA       TYR   6   9.937  -2.331   3.010
   39   1HB   TYR   6          1HB       TYR   6   7.200  -3.433   3.631
   40   2HB   TYR   6          2HB       TYR   6   8.278  -2.538   4.701
   41    HD1  TYR   6           HD1      TYR   6   5.446  -2.290   2.641
   42    HD2  TYR   6           HD2      TYR   6   9.041  -0.122   3.572
   43    HE1  TYR   6           HE1      TYR   6   4.353  -0.196   1.953
   44    HE2  TYR   6           HE2      TYR   6   7.978   1.954   2.730
   45    HH   TYR   6           HH       TYR   6   4.647   1.993   1.543
   46    H    GLU   7           H        GLU   7  11.551  -3.825   3.302
   47    HA   GLU   7           HA       GLU   7  11.030  -6.650   3.057
   48   1HB   GLU   7          1HB       GLU   7  13.364  -6.939   3.627
   49   2HB   GLU   7          2HB       GLU   7  13.033  -6.020   2.154
   50   1HG   GLU   7          1HG       GLU   7  13.692  -4.591   4.768
   51   2HG   GLU   7          2HG       GLU   7  14.950  -5.196   3.687
   52    H    ASN   8           H        ASN   8   9.500  -6.843   4.616
   53    HA   ASN   8           HA       ASN   8  10.129  -6.423   7.457
   54   1HB   ASN   8          1HB       ASN   8   7.597  -7.699   6.397
   55   2HB   ASN   8          2HB       ASN   8   7.837  -6.819   7.912
   56   1HD2  ASN   8          1HD2      ASN   8   6.322  -6.568   5.076
   57   2HD2  ASN   8          2HD2      ASN   8   6.426  -4.829   4.837
   58    H    LYS   9           H        LYS   9  10.085  -8.012   9.050
   59    HA   LYS   9           HA       LYS   9  11.172 -10.522   8.323
   60   1HB   LYS   9          1HB       LYS   9  11.165  -9.057  10.617
   61   2HB   LYS   9          2HB       LYS   9   9.798 -10.088  10.997
   62   1HG   LYS   9          1HG       LYS   9  11.564 -11.266  11.957
   63   2HG   LYS   9          2HG       LYS   9  11.384 -12.074  10.400
   64   1HD   LYS   9          1HD       LYS   9  13.705 -11.760  10.670
   65   2HD   LYS   9          2HD       LYS   9  13.223 -10.504   9.516
   66   1HE   LYS   9          1HE       LYS   9  13.203  -8.823  11.394
   67   2HE   LYS   9          2HE       LYS   9  13.626 -10.106  12.536
   68   1HZ   LYS   9          1HZ       LYS   9  15.512  -8.811  11.881
   69   2HZ   LYS   9          2HZ       LYS   9  15.710 -10.358  11.369
   70   3HZ   LYS   9          3HZ       LYS   9  15.299  -9.177  10.295
   71    H    LYS  10           H        LYS  10   7.968  -9.379   8.713
   72    HA   LYS  10           HA       LYS  10   6.457 -11.798   9.102
   73   1HB   LYS  10          1HB       LYS  10   5.701  -9.246   7.633
   74   2HB   LYS  10          2HB       LYS  10   4.575 -10.429   8.306
   75   1HG   LYS  10          1HG       LYS  10   6.464  -8.596   9.808
   76   2HG   LYS  10          2HG       LYS  10   4.721  -8.403   9.555
   77   1HD   LYS  10          1HD       LYS  10   4.471  -9.418  11.577
   78   2HD   LYS  10          2HD       LYS  10   4.747 -10.890  10.679
   79   1HE   LYS  10          1HE       LYS  10   6.105 -10.980  12.615
   80   2HE   LYS  10          2HE       LYS  10   7.219 -10.718  11.267
   81   1HZ   LYS  10          1HZ       LYS  10   6.267  -8.627  13.140
   82   2HZ   LYS  10          2HZ       LYS  10   7.724  -9.347  13.207
   83   3HZ   LYS  10          3HZ       LYS  10   7.384  -8.352  11.991
   84    H    GLY  11           H        GLY  11   7.819 -10.102   6.302
   85   1HA   GLY  11          1HA       GLY  11   7.923 -11.834   4.294
   86   2HA   GLY  11          2HA       GLY  11   6.164 -11.614   4.372
   87    H    ASN  12           H        ASN  12   8.598 -10.592   2.644
   88    HA   ASN  12           HA       ASN  12   8.696  -7.764   3.035
   89   1HB   ASN  12          1HB       ASN  12   9.571  -9.406   0.628
   90   2HB   ASN  12          2HB       ASN  12  10.034  -7.743   0.965
   91   1HD2  ASN  12          1HD2      ASN  12  10.160  -9.057   4.050
   92   2HD2  ASN  12          2HD2      ASN  12  11.828  -9.568   3.983
   93    H    VAL  13           H        VAL  13   7.294  -6.272   2.330
   94    HA   VAL  13           HA       VAL  13   4.952  -7.243   0.783
   95    HB   VAL  13           HB       VAL  13   5.537  -4.659   2.264
   96   1HG1  VAL  13          1HG1      VAL  13   4.075  -3.999   0.505
   97   2HG1  VAL  13          2HG1      VAL  13   3.155  -5.520   0.579
   98   3HG1  VAL  13          3HG1      VAL  13   3.006  -4.322   1.876
   99   1HG2  VAL  13          1HG2      VAL  13   5.102  -6.781   3.576
  100   2HG2  VAL  13          2HG2      VAL  13   3.926  -5.492   3.856
  101   3HG2  VAL  13          3HG2      VAL  13   3.515  -6.875   2.815
  102    H    THR  14           H        THR  14   5.447  -7.383  -1.362
  103    HA   THR  14           HA       THR  14   7.263  -5.487  -2.642
  104    HB   THR  14           HB       THR  14   7.447  -7.823  -3.148
  105    HG1  THR  14           HG1      THR  14   6.416  -6.324  -5.310
  106   1HG2  THR  14          1HG2      THR  14   4.672  -7.757  -4.431
  107   2HG2  THR  14          2HG2      THR  14   5.817  -9.100  -4.396
  108   3HG2  THR  14          3HG2      THR  14   5.055  -8.552  -2.901
  109    H    PHE  15           H        PHE  15   5.486  -3.748  -1.899
  110    HA   PHE  15           HA       PHE  15   3.167  -3.610  -3.628
  111   1HB   PHE  15          1HB       PHE  15   2.664  -1.497  -2.724
  112   2HB   PHE  15          2HB       PHE  15   3.164  -2.560  -1.415
  113    HD1  PHE  15           HD1      PHE  15   3.670   0.613  -3.025
  114    HD2  PHE  15           HD2      PHE  15   5.526  -2.322  -0.452
  115    HE1  PHE  15           HE1      PHE  15   5.207   2.343  -2.134
  116    HE2  PHE  15           HE2      PHE  15   7.161  -0.636   0.282
  117    HZ   PHE  15           HZ       PHE  15   6.971   1.685  -0.501
  118    H    ASP  16           H        ASP  16   3.069  -3.038  -5.712
  119    HA   ASP  16           HA       ASP  16   5.137  -1.597  -7.098
  120   1HB   ASP  16          1HB       ASP  16   2.239  -2.222  -7.725
  121   2HB   ASP  16          2HB       ASP  16   3.188  -1.048  -8.661
  122    H    HIS  17           H        HIS  17   5.083   0.520  -7.752
  123    HA   HIS  17           HA       HIS  17   3.690   2.463  -5.954
  124   1HB   HIS  17          1HB       HIS  17   6.175   2.138  -5.624
  125   2HB   HIS  17          2HB       HIS  17   6.442   2.582  -7.288
  126    HD1  HIS  17           HND      HIS  17   7.597   4.796  -7.173
  127    HD2  HIS  17           HD       HIS  17   4.211   4.476  -4.695
  128    HE1  HIS  17           HE       HIS  17   7.100   7.156  -6.258
  129    H    LYS  18           H        LYS  18   5.386   2.220  -9.070
  130    HA   LYS  18           HA       LYS  18   4.083   4.306 -10.460
  131   1HB   LYS  18          1HB       LYS  18   6.132   3.536 -11.260
  132   2HB   LYS  18          2HB       LYS  18   5.606   1.825 -11.270
  133   1HG   LYS  18          1HG       LYS  18   4.260   2.151 -13.170
  134   2HG   LYS  18          2HG       LYS  18   4.390   3.932 -13.019
  135   1HD   LYS  18          1HD       LYS  18   6.835   3.742 -13.554
  136   2HD   LYS  18          2HD       LYS  18   6.663   1.984 -13.618
  137   1HE   LYS  18          1HE       LYS  18   6.726   2.923 -15.884
  138   2HE   LYS  18          2HE       LYS  18   5.192   2.102 -15.558
  139   1HZ   LYS  18          1HZ       LYS  18   4.176   4.235 -15.199
  140   2HZ   LYS  18          2HZ       LYS  18   5.605   5.021 -15.443
  141   3HZ   LYS  18          3HZ       LYS  18   4.888   4.203 -16.677
  142    H    ALA  19           H        ALA  19   3.433   0.743 -10.562
  143    HA   ALA  19           HA       ALA  19   1.207   0.808 -12.247
  144   1HB   ALA  19          1HB       ALA  19   1.348  -0.922  -9.784
  145   2HB   ALA  19          2HB       ALA  19   0.528  -1.268 -11.309
  146   3HB   ALA  19          3HB       ALA  19   2.311  -1.247 -11.255
  147    H    HIS  20           H        HIS  20   1.253   1.173  -8.672
  148    HA   HIS  20           HA       HIS  20  -1.572   1.642  -8.370
  149   1HB   HIS  20          1HB       HIS  20   0.859   2.168  -6.614
  150   2HB   HIS  20          2HB       HIS  20  -0.776   2.662  -6.179
  151    HD1  HIS  20           HND      HIS  20  -0.104  -0.757  -7.802
  152    HD2  HIS  20           HD       HIS  20  -1.421   1.064  -4.269
  153    HE1  HIS  20           HE       HIS  20  -1.219  -2.572  -6.414
  154    H    ALA  21           H        ALA  21   1.003   3.595  -9.605
  155    HA   ALA  21           HA       ALA  21  -0.363   6.164  -9.029
  156   1HB   ALA  21          1HB       ALA  21   1.512   7.204 -10.034
  157   2HB   ALA  21          2HB       ALA  21   2.130   5.933  -8.938
  158   3HB   ALA  21          3HB       ALA  21   2.130   5.690 -10.690
  159    H    GLU  22           H        GLU  22   0.424   4.224 -11.880
  160    HA   GLU  22           HA       GLU  22  -0.764   6.106 -13.739
  161   1HB   GLU  22          1HB       GLU  22  -0.451   4.337 -15.452
  162   2HB   GLU  22          2HB       GLU  22   1.002   4.773 -14.548
  163   1HG   GLU  22          1HG       GLU  22   1.333   2.582 -14.231
  164   2HG   GLU  22          2HG       GLU  22   0.054   2.630 -13.062
  165    H    LYS  23           H        LYS  23  -1.835   2.959 -12.392
  166    HA   LYS  23           HA       LYS  23  -4.337   2.879 -13.648
  167   1HB   LYS  23          1HB       LYS  23  -3.514   1.945 -10.867
  168   2HB   LYS  23          2HB       LYS  23  -5.000   1.444 -11.681
  169   1HG   LYS  23          1HG       LYS  23  -2.200   0.954 -12.832
  170   2HG   LYS  23          2HG       LYS  23  -3.062  -0.170 -11.785
  171   1HD   LYS  23          1HD       LYS  23  -4.915  -0.265 -13.356
  172   2HD   LYS  23          2HD       LYS  23  -4.111   0.843 -14.476
  173   1HE   LYS  23          1HE       LYS  23  -2.705  -1.704 -13.580
  174   2HE   LYS  23          2HE       LYS  23  -3.944  -1.771 -14.842
  175   1HZ   LYS  23          1HZ       LYS  23  -2.640  -0.046 -16.040
  176   2HZ   LYS  23          2HZ       LYS  23  -1.469  -0.160 -14.955
  177   3HZ   LYS  23          3HZ       LYS  23  -1.809  -1.467 -15.851
  178    H    LEU  24           H        LEU  24  -3.483   4.508 -10.557
  179    HA   LEU  24           HA       LEU  24  -6.230   5.498 -10.251
  180   1HB   LEU  24          1HB       LEU  24  -3.660   5.786  -8.651
  181   2HB   LEU  24          2HB       LEU  24  -5.164   6.585  -8.234
  182    HG   LEU  24           HG       LEU  24  -4.616   4.555  -6.977
  183   1HD1  LEU  24          1HD1      LEU  24  -6.903   5.462  -7.020
  184   2HD1  LEU  24          2HD1      LEU  24  -7.277   4.526  -8.482
  185   3HD1  LEU  24          3HD1      LEU  24  -6.967   3.689  -6.957
  186   1HD2  LEU  24          1HD2      LEU  24  -5.480   2.910  -9.365
  187   2HD2  LEU  24          2HD2      LEU  24  -3.803   3.084  -8.785
  188   3HD2  LEU  24          3HD2      LEU  24  -5.020   2.344  -7.748
  189    H    GLY  25           H        GLY  25  -2.953   7.039 -10.382
  190   1HA   GLY  25          1HA       GLY  25  -3.124   9.079 -11.988
  191   2HA   GLY  25          2HA       GLY  25  -4.158   9.714 -10.684
  192    H    CYS  26           H        CYS  26  -3.252   9.789  -8.539
  193    HA   CYS  26           HA       CYS  26  -0.598   9.307  -7.747
  194   1HB   CYS  26          1HB       CYS  26  -0.252  11.239  -9.632
  195   2HB   CYS  26          2HB       CYS  26  -0.812  12.270  -8.343
  196    H    ASP  27           H        ASP  27  -3.118  11.563  -7.788
  197    HA   ASP  27           HA       ASP  27  -3.426  12.968  -5.432
  198   1HB   ASP  27          1HB       ASP  27  -5.827  12.771  -6.104
  199   2HB   ASP  27          2HB       ASP  27  -4.785  13.236  -7.449
  200    H    ALA  28           H        ALA  28  -4.406   9.739  -6.353
  201    HA   ALA  28           HA       ALA  28  -5.822   8.773  -4.273
  202   1HB   ALA  28          1HB       ALA  28  -4.891   6.529  -4.927
  203   2HB   ALA  28          2HB       ALA  28  -5.367   7.570  -6.290
  204   3HB   ALA  28          3HB       ALA  28  -3.647   7.385  -5.882
  205    H    CYS  29           H        CYS  29  -2.289   9.171  -4.238
  206    HA   CYS  29           HA       CYS  29  -2.274   8.411  -1.323
  207   1HB   CYS  29          1HB       CYS  29  -0.104   7.930  -3.336
  208   2HB   CYS  29          2HB       CYS  29  -0.072   7.511  -1.613
  209    H    HIS  30           H        HIS  30  -0.980  10.604  -3.863
  210    HA   HIS  30           HA       HIS  30   0.287  12.250  -1.694
  211   1HB   HIS  30          1HB       HIS  30   1.256  11.798  -4.525
  212   2HB   HIS  30          2HB       HIS  30   1.997  12.850  -3.336
  213    HD1  HIS  30           HND      HIS  30   3.391  11.577  -1.369
  214    HD2  HIS  30           HD       HIS  30   2.098   9.431  -4.693
  215    HE1  HIS  30           HE       HIS  30   5.068   9.586  -1.738
  216    H    GLU  31           H        GLU  31  -0.897  14.071  -1.545
  217    HA   GLU  31           HA       GLU  31  -2.488  15.082  -3.787
  218   1HB   GLU  31          1HB       GLU  31  -1.952  16.323  -1.022
  219   2HB   GLU  31          2HB       GLU  31  -3.077  16.897  -2.255
  220   1HG   GLU  31          1HG       GLU  31  -3.651  14.180  -1.976
  221   2HG   GLU  31          2HG       GLU  31  -3.330  14.692  -0.319
  222    H    GLY  32           H        GLY  32  -0.162  16.728  -1.768
  223   1HA   GLY  32          1HA       GLY  32   0.242  18.804  -3.776
  224   2HA   GLY  32          2HA       GLY  32   0.928  18.767  -2.150
  225    H    THR  33           H        THR  33   2.842  17.409  -1.779
  226    HA   THR  33           HA       THR  33   4.508  17.022  -4.214
  227    HB   THR  33           HB       THR  33   5.413  18.261  -1.595
  228    HG1  THR  33           HG1      THR  33   5.453  20.174  -2.864
  229   1HG2  THR  33          1HG2      THR  33   7.427  18.853  -2.918
  230   2HG2  THR  33          2HG2      THR  33   7.210  17.097  -2.873
  231   3HG2  THR  33          3HG2      THR  33   6.758  18.009  -4.330
  232    HA   PRO  34           HA       PRO  34   4.929  13.141  -1.856
  233   1HB   PRO  34          1HB       PRO  34   6.321  11.685  -3.611
  234   2HB   PRO  34          2HB       PRO  34   4.600  12.070  -3.889
  235   1HG   PRO  34          1HG       PRO  34   6.967  13.447  -5.104
  236   2HG   PRO  34          2HG       PRO  34   5.439  12.902  -5.878
  237   1HD   PRO  34          1HD       PRO  34   5.883  15.485  -5.061
  238   2HD   PRO  34          2HD       PRO  34   4.252  14.740  -5.065
  239    H    ALA  35           H        ALA  35   6.478  12.700  -0.316
  240    HA   ALA  35           HA       ALA  35   9.340  12.979  -0.871
  241   1HB   ALA  35          1HB       ALA  35   7.959  14.694   1.246
  242   2HB   ALA  35          2HB       ALA  35   9.716  14.535   1.013
  243   3HB   ALA  35          3HB       ALA  35   8.718  15.292  -0.245
  244    H    LYS  36           H        LYS  36   8.193  10.721  -0.635
  245    HA   LYS  36           HA       LYS  36   7.809   8.808   0.370
  246   1HB   LYS  36          1HB       LYS  36   9.406   9.906   2.729
  247   2HB   LYS  36          2HB       LYS  36   8.771   8.279   2.591
  248   1HG   LYS  36          1HG       LYS  36  10.075   8.117   0.327
  249   2HG   LYS  36          2HG       LYS  36  10.799   9.662   0.783
  250   1HD   LYS  36          1HD       LYS  36  12.309   7.895   1.336
  251   2HD   LYS  36          2HD       LYS  36  11.725   8.650   2.824
  252   1HE   LYS  36          1HE       LYS  36  11.068   6.615   3.581
  253   2HE   LYS  36          2HE       LYS  36   9.884   6.520   2.294
  254   1HZ   LYS  36          1HZ       LYS  36  11.394   5.512   0.852
  255   2HZ   LYS  36          2HZ       LYS  36  12.590   5.419   2.035
  256   3HZ   LYS  36          3HZ       LYS  36  11.088   4.662   2.128
  257    H    ILE  37           H        ILE  37   6.292   7.771   1.556
  258    HA   ILE  37           HA       ILE  37   4.562   9.435   3.356
  259    HB   ILE  37           HB       ILE  37   3.799   6.749   2.220
  260   1HG1  ILE  37          1HG1      ILE  37   3.551   9.460   0.902
  261   2HG1  ILE  37          2HG1      ILE  37   4.325   7.982   0.296
  262   1HG2  ILE  37          1HG2      ILE  37   2.523   7.763   4.161
  263   2HG2  ILE  37          2HG2      ILE  37   2.140   9.151   3.128
  264   3HG2  ILE  37          3HG2      ILE  37   1.529   7.533   2.723
  265   1HD1  ILE  37          1HD1      ILE  37   2.234   8.223  -0.868
  266   2HD1  ILE  37          2HD1      ILE  37   2.016   6.898   0.290
  267   3HD1  ILE  37          3HD1      ILE  37   1.341   8.508   0.628
  268    H    ALA  38           H        ALA  38   6.275   6.451   2.991
  269    HA   ALA  38           HA       ALA  38   7.277   4.975   4.403
  270   1HB   ALA  38          1HB       ALA  38   8.028   5.685   6.591
  271   2HB   ALA  38          2HB       ALA  38   8.298   6.984   5.405
  272   3HB   ALA  38          3HB       ALA  38   6.956   7.093   6.566
  273    H    ILE  39           H        ILE  39   5.077   4.035   3.824
  274    HA   ILE  39           HA       ILE  39   3.097   3.890   6.000
  275    HB   ILE  39           HB       ILE  39   3.322   2.657   3.231
  276   1HG1  ILE  39          1HG1      ILE  39   2.847   5.015   3.195
  277   2HG1  ILE  39          2HG1      ILE  39   1.412   4.097   2.769
  278   1HG2  ILE  39          1HG2      ILE  39   2.173   1.016   4.468
  279   2HG2  ILE  39          2HG2      ILE  39   1.236   2.236   5.360
  280   3HG2  ILE  39          3HG2      ILE  39   0.934   1.943   3.636
  281   1HD1  ILE  39          1HD1      ILE  39   1.966   5.657   5.314
  282   2HD1  ILE  39          2HD1      ILE  39   0.627   5.832   4.175
  283   3HD1  ILE  39          3HD1      ILE  39   0.690   4.428   5.248
  284    H    ASP  40           H        ASP  40   3.540   2.872   7.666
  285    HA   ASP  40           HA       ASP  40   5.010   0.311   7.653
  286   1HB   ASP  40          1HB       ASP  40   5.818   0.979   9.810
  287   2HB   ASP  40          2HB       ASP  40   6.123   2.256   8.670
  288    H    LYS  41           H        LYS  41   4.507  -0.725   9.875
  289    HA   LYS  41           HA       LYS  41   2.164  -1.748  10.544
  290   1HB   LYS  41          1HB       LYS  41   3.036  -1.805  12.877
  291   2HB   LYS  41          2HB       LYS  41   4.123  -2.364  11.619
  292   1HG   LYS  41          1HG       LYS  41   5.158   0.064  11.719
  293   2HG   LYS  41          2HG       LYS  41   4.238   0.228  13.184
  294   1HD   LYS  41          1HD       LYS  41   5.984  -0.630  14.246
  295   2HD   LYS  41          2HD       LYS  41   5.580  -2.214  13.598
  296   1HE   LYS  41          1HE       LYS  41   7.392  -0.191  12.164
  297   2HE   LYS  41          2HE       LYS  41   8.019  -1.406  13.287
  298   1HZ   LYS  41          1HZ       LYS  41   6.397  -2.181  10.987
  299   2HZ   LYS  41          2HZ       LYS  41   7.919  -1.985  10.727
  300   3HZ   LYS  41          3HZ       LYS  41   7.474  -3.128  11.836
  301    H    LYS  42           H        LYS  42   0.400  -1.111  11.240
  302    HA   LYS  42           HA       LYS  42  -1.355   0.039  12.049
  303   1HB   LYS  42          1HB       LYS  42   0.346   1.313  13.555
  304   2HB   LYS  42          2HB       LYS  42   0.254   2.605  12.330
  305   1HG   LYS  42          1HG       LYS  42  -2.227   2.496  12.542
  306   2HG   LYS  42          2HG       LYS  42  -1.998   1.281  13.825
  307   1HD   LYS  42          1HD       LYS  42  -0.787   2.901  15.223
  308   2HD   LYS  42          2HD       LYS  42  -0.645   4.036  13.869
  309   1HE   LYS  42          1HE       LYS  42  -3.118   4.381  13.893
  310   2HE   LYS  42          2HE       LYS  42  -3.235   3.341  15.326
  311   1HZ   LYS  42          1HZ       LYS  42  -1.699   5.857  15.139
  312   2HZ   LYS  42          2HZ       LYS  42  -3.151   5.680  15.886
  313   3HZ   LYS  42          3HZ       LYS  42  -1.823   4.916  16.483
  314    H    SER  43           H        SER  43   0.692   2.401  10.106
  315    HA   SER  43           HA       SER  43  -1.462   3.611   8.886
  316   1HB   SER  43          1HB       SER  43   1.310   3.238   7.672
  317   2HB   SER  43          2HB       SER  43   0.232   4.649   7.565
  318    HG   SER  43           HG       SER  43   2.077   4.010   9.464
  319    H    ALA  44           H        ALA  44   0.663   1.103   7.543
  320    HA   ALA  44           HA       ALA  44  -0.497   0.430   5.124
  321   1HB   ALA  44          1HB       ALA  44   0.698  -1.399   7.250
  322   2HB   ALA  44          2HB       ALA  44   0.502  -1.767   5.523
  323   3HB   ALA  44          3HB       ALA  44   1.612  -0.472   6.060
  324    H    HIS  45           H        HIS  45  -1.155  -1.041   8.259
  325    HA   HIS  45           HA       HIS  45  -3.201  -2.821   7.362
  326   1HB   HIS  45          1HB       HIS  45  -2.286  -1.873  10.097
  327   2HB   HIS  45          2HB       HIS  45  -3.526  -3.097   9.858
  328    HD1  HIS  45           HND      HIS  45  -1.679  -4.425  11.409
  329    HD2  HIS  45           HD       HIS  45  -0.859  -3.882   7.303
  330    HE1  HIS  45           HE       HIS  45  -0.021  -6.209  10.740
  331    H    LYS  46           H        LYS  46  -3.314   0.553   8.389
  332    HA   LYS  46           HA       LYS  46  -6.124   0.599   7.711
  333   1HB   LYS  46          1HB       LYS  46  -6.052  -0.148  10.173
  334   2HB   LYS  46          2HB       LYS  46  -5.471   1.466  10.553
  335   1HG   LYS  46          1HG       LYS  46  -8.076   0.739   9.131
  336   2HG   LYS  46          2HG       LYS  46  -7.904   1.169  10.844
  337   1HD   LYS  46          1HD       LYS  46  -6.945   3.416  10.068
  338   2HD   LYS  46          2HD       LYS  46  -7.517   3.027   8.445
  339   1HE   LYS  46          1HE       LYS  46  -9.260   3.240  10.941
  340   2HE   LYS  46          2HE       LYS  46  -9.078   4.473   9.684
  341   1HZ   LYS  46          1HZ       LYS  46 -10.198   1.788   9.260
  342   2HZ   LYS  46          2HZ       LYS  46 -11.046   3.194   9.348
  343   3HZ   LYS  46          3HZ       LYS  46 -10.005   2.951   8.101
  344    H    ASP  47           H        ASP  47  -5.699   2.049   6.249
  345    HA   ASP  47           HA       ASP  47  -6.298   4.184   5.740
  346   1HB   ASP  47          1HB       ASP  47  -5.988   4.987   8.164
  347   2HB   ASP  47          2HB       ASP  47  -4.319   5.379   7.701
  348    H    ALA  48           H        ALA  48  -4.183   2.241   4.954
  349    HA   ALA  48           HA       ALA  48  -3.150   4.027   2.868
  350   1HB   ALA  48          1HB       ALA  48  -1.327   2.356   4.621
  351   2HB   ALA  48          2HB       ALA  48  -0.855   3.195   3.114
  352   3HB   ALA  48          3HB       ALA  48  -1.412   4.117   4.530
  353    H    CYS  49           H        CYS  49  -2.571   0.571   3.913
  354    HA   CYS  49           HA       CYS  49  -3.051  -0.196   1.099
  355   1HB   CYS  49          1HB       CYS  49  -2.114  -1.960   3.315
  356   2HB   CYS  49          2HB       CYS  49  -1.940  -2.201   1.591
  357    H    LYS  50           H        LYS  50  -3.994  -1.326   4.378
  358    HA   LYS  50           HA       LYS  50  -6.239  -2.867   3.271
  359   1HB   LYS  50          1HB       LYS  50  -4.918  -3.849   4.926
  360   2HB   LYS  50          2HB       LYS  50  -5.045  -2.460   5.992
  361   1HG   LYS  50          1HG       LYS  50  -7.263  -2.998   6.619
  362   2HG   LYS  50          2HG       LYS  50  -7.477  -4.124   5.265
  363   1HD   LYS  50          1HD       LYS  50  -6.390  -5.836   6.301
  364   2HD   LYS  50          2HD       LYS  50  -5.194  -4.801   7.077
  365   1HE   LYS  50          1HE       LYS  50  -8.097  -4.856   8.001
  366   2HE   LYS  50          2HE       LYS  50  -6.905  -6.016   8.601
  367   1HZ   LYS  50          1HZ       LYS  50  -6.421  -3.113   8.763
  368   2HZ   LYS  50          2HZ       LYS  50  -7.176  -3.966   9.967
  369   3HZ   LYS  50          3HZ       LYS  50  -5.633  -4.317   9.521
  370    H    THR  51           H        THR  51  -6.851  -0.681   2.309
  371    HA   THR  51           HA       THR  51  -9.219   0.272   3.725
  372    HB   THR  51           HB       THR  51  -7.564   1.799   4.628
  373    HG1  THR  51           HG1      THR  51  -9.663   2.575   4.115
  374   1HG2  THR  51          1HG2      THR  51  -6.336   3.385   3.308
  375   2HG2  THR  51          2HG2      THR  51  -5.915   1.758   2.739
  376   3HG2  THR  51          3HG2      THR  51  -7.017   2.796   1.800
  377    H    CYS  52           H        CYS  52  -7.086   0.835   0.876
  378    HA   CYS  52           HA       CYS  52  -9.190   1.394  -0.967
  379   1HB   CYS  52          1HB       CYS  52  -6.293   0.598  -1.091
  380   2HB   CYS  52          2HB       CYS  52  -7.270   0.394  -2.533
  381    H    HIS  53           H        HIS  53  -7.282  -1.613  -0.539
  382    HA   HIS  53           HA       HIS  53  -8.967  -3.042  -2.338
  383   1HB   HIS  53          1HB       HIS  53  -7.293  -4.685  -0.521
  384   2HB   HIS  53          2HB       HIS  53  -7.507  -4.751  -2.251
  385    HD1  HIS  53           HND      HIS  53  -5.555  -2.619   0.376
  386    HD2  HIS  53           HD       HIS  53  -5.500  -3.582  -3.753
  387    HE1  HIS  53           HE       HIS  53  -3.436  -1.782  -0.578
  388    H    LYS  54           H        LYS  54 -10.952  -2.426  -1.331
  389    HA   LYS  54           HA       LYS  54 -11.987  -4.343   0.742
  390   1HB   LYS  54          1HB       LYS  54 -12.707  -1.483   0.028
  391   2HB   LYS  54          2HB       LYS  54 -13.773  -2.519   0.986
  392   1HG   LYS  54          1HG       LYS  54 -10.887  -1.869   1.695
  393   2HG   LYS  54          2HG       LYS  54 -12.342  -1.043   2.290
  394   1HD   LYS  54          1HD       LYS  54 -12.955  -3.691   2.845
  395   2HD   LYS  54          2HD       LYS  54 -11.198  -3.712   3.033
  396   1HE   LYS  54          1HE       LYS  54 -13.235  -1.910   4.444
  397   2HE   LYS  54          2HE       LYS  54 -12.331  -3.238   5.182
  398   1HZ   LYS  54          1HZ       LYS  54 -11.155  -0.769   4.082
  399   2HZ   LYS  54          2HZ       LYS  54 -11.382  -1.086   5.680
  400   3HZ   LYS  54          3HZ       LYS  54 -10.305  -1.976   4.809
  401    H    SER  55           H        SER  55 -13.147  -2.317  -2.026
  402    HA   SER  55           HA       SER  55 -15.393  -3.978  -2.717
  403   1HB   SER  55          1HB       SER  55 -14.986  -2.570  -4.897
  404   2HB   SER  55          2HB       SER  55 -15.411  -1.694  -3.411
  405    HG   SER  55           HG       SER  55 -13.490  -0.878  -4.560
  406    H    ASN  56           H        ASN  56 -12.248  -3.329  -4.114
  407    HA   ASN  56           HA       ASN  56 -11.927  -5.157  -6.086
  408   1HB   ASN  56          1HB       ASN  56  -9.777  -4.524  -4.019
  409   2HB   ASN  56          2HB       ASN  56  -9.504  -5.136  -5.656
  410   1HD2  ASN  56          1HD2      ASN  56  -8.117  -2.884  -5.076
  411   2HD2  ASN  56          2HD2      ASN  56  -8.899  -1.483  -5.782
  412    H    ASN  57           H        ASN  57 -11.326  -5.901  -2.593
  413    HA   ASN  57           HA       ASN  57 -12.098  -8.621  -2.905
  414   1HB   ASN  57          1HB       ASN  57  -9.987  -9.695  -2.348
  415   2HB   ASN  57          2HB       ASN  57  -9.837  -8.853  -3.889
  416   1HD2  ASN  57          1HD2      ASN  57  -7.534  -9.610  -2.607
  417   2HD2  ASN  57          2HD2      ASN  57  -6.736  -8.192  -1.957
  418    H    GLY  58           H        GLY  58 -12.107  -9.718  -0.832
  419   1HA   GLY  58          1HA       GLY  58 -12.305  -7.823   1.482
  420   2HA   GLY  58          2HA       GLY  58 -13.257  -9.265   1.198
  421    HA   PRO  59           HA       PRO  59  -9.037 -10.916   2.718
  422   1HB   PRO  59          1HB       PRO  59  -7.312  -9.230   4.051
  423   2HB   PRO  59          2HB       PRO  59  -7.350  -9.266   2.263
  424   1HG   PRO  59          1HG       PRO  59  -8.821  -7.342   4.095
  425   2HG   PRO  59          2HG       PRO  59  -7.761  -6.927   2.715
  426   1HD   PRO  59          1HD       PRO  59 -10.462  -7.056   2.463
  427   2HD   PRO  59          2HD       PRO  59  -9.397  -7.628   1.147
  428    H    THR  60           H        THR  60  -8.073 -11.213   5.033
  429    HA   THR  60           HA       THR  60 -10.660 -11.716   6.400
  430    HB   THR  60           HB       THR  60 -10.466 -12.730   4.147
  431    HG1  THR  60           HG1      THR  60 -11.420 -14.368   4.711
  432   1HG2  THR  60          1HG2      THR  60  -9.057 -14.579   3.636
  433   2HG2  THR  60          2HG2      THR  60  -8.008 -13.226   4.061
  434   3HG2  THR  60          3HG2      THR  60  -8.291 -14.555   5.223
  435    H    LYS  61           H        LYS  61  -7.266 -12.867   6.048
  436    HA   LYS  61           HA       LYS  61  -6.854 -12.085   8.858
  437   1HB   LYS  61          1HB       LYS  61  -5.884 -14.710   7.627
  438   2HB   LYS  61          2HB       LYS  61  -5.291 -14.007   9.151
  439   1HG   LYS  61          1HG       LYS  61  -7.601 -14.089  10.065
  440   2HG   LYS  61          2HG       LYS  61  -8.179 -14.802   8.547
  441   1HD   LYS  61          1HD       LYS  61  -6.688 -16.717   8.818
  442   2HD   LYS  61          2HD       LYS  61  -6.034 -16.030  10.324
  443   1HE   LYS  61          1HE       LYS  61  -8.323 -16.119  11.344
  444   2HE   LYS  61          2HE       LYS  61  -8.955 -16.838   9.853
  445   1HZ   LYS  61          1HZ       LYS  61  -7.506 -18.723  10.231
  446   2HZ   LYS  61          2HZ       LYS  61  -6.925 -18.049  11.617
  447   3HZ   LYS  61          3HZ       LYS  61  -8.503 -18.489  11.515
  448    H    CYS  62           H        CYS  62  -4.473 -13.595   6.787
  449    HA   CYS  62           HA       CYS  62  -3.199 -10.977   6.269
  450   1HB   CYS  62          1HB       CYS  62  -1.714 -13.467   7.131
  451   2HB   CYS  62          2HB       CYS  62  -1.126 -11.791   7.100
  452    H    GLY  63           H        GLY  63  -0.838 -12.439   5.191
  453   1HA   GLY  63          1HA       GLY  63  -0.170 -13.848   3.484
  454   2HA   GLY  63          2HA       GLY  63  -1.857 -14.245   3.125
  455    H    GLY  64           H        GLY  64  -2.972 -11.848   2.636
  456   1HA   GLY  64          1HA       GLY  64  -2.854 -11.130   0.099
  457   2HA   GLY  64          2HA       GLY  64  -3.050  -9.909   1.372
  458    H    CYS  65           H        CYS  65  -0.556  -9.740   2.445
  459    HA   CYS  65           HA       CYS  65   0.983  -8.443   0.221
  460   1HB   CYS  65          1HB       CYS  65   0.679  -7.546   3.059
  461   2HB   CYS  65          2HB       CYS  65   1.333  -6.605   1.709
  462    H    HIS  66           H        HIS  66   1.295  -9.880   3.517
  463    HA   HIS  66           HA       HIS  66   4.201 -10.054   3.317
  464   1HB   HIS  66          1HB       HIS  66   2.277 -11.343   5.277
  465   2HB   HIS  66          2HB       HIS  66   4.020 -11.316   5.418
  466    HD1  HIS  66           HND      HIS  66   4.996  -8.549   5.229
  467    HD2  HIS  66           HD       HIS  66   1.104  -9.403   6.612
  468    HE1  HIS  66           HE       HIS  66   4.162  -6.517   6.620
  469    H    ILE  67           H        ILE  67   4.794 -11.340   1.585
  470    HA   ILE  67           HA       ILE  67   3.592 -13.919   1.019
  471    HB   ILE  67           HB       ILE  67   6.274 -12.803   0.089
  472   1HG1  ILE  67          1HG1      ILE  67   4.568 -12.673  -2.070
  473   2HG1  ILE  67          2HG1      ILE  67   3.447 -12.289  -0.762
  474   1HG2  ILE  67          1HG2      ILE  67   6.041 -14.423  -1.734
  475   2HG2  ILE  67          2HG2      ILE  67   6.062 -15.269  -0.185
  476   3HG2  ILE  67          3HG2      ILE  67   4.522 -15.027  -1.036
  477   1HD1  ILE  67          1HD1      ILE  67   5.111 -10.501  -0.028
  478   2HD1  ILE  67          2HD1      ILE  67   6.065 -10.887  -1.467
  479   3HD1  ILE  67          3HD1      ILE  67   4.405 -10.258  -1.627
  480    H    LYS  68           H        LYS  68   3.585 -14.907   3.109
  481    HA   LYS  68           HA       LYS  68   5.852 -16.591   3.595
  482   1HB   LYS  68          1HB       LYS  68   6.365 -14.346   4.805
  483   2HB   LYS  68          2HB       LYS  68   4.971 -14.727   5.831
  484   1HG   LYS  68          1HG       LYS  68   6.111 -16.818   6.559
  485   2HG   LYS  68          2HG       LYS  68   7.468 -16.448   5.470
  486   1HD   LYS  68          1HD       LYS  68   7.748 -14.245   6.666
  487   2HD   LYS  68          2HD       LYS  68   6.479 -14.753   7.806
  488   1HE   LYS  68          1HE       LYS  68   7.951 -16.695   8.464
  489   2HE   LYS  68          2HE       LYS  68   9.196 -16.079   7.358
  490   1HZ   LYS  68          1HZ       LYS  68   9.128 -13.980   8.684
  491   2HZ   LYS  68          2HZ       LYS  68   8.133 -14.728   9.745
  492   3HZ   LYS  68          3HZ       LYS  68   9.661 -15.298   9.530
  493    HHA  HEC  69           HCM      HEC  69   8.313   7.207  -1.625
  494    HHB  HEC  69           HDM      HEC  69   6.747  10.952  -6.514
  495    HHC  HEC  69           HAM      HEC  69   1.337   7.535  -7.244
  496    HHD  HEC  69           HBM      HEC  69   2.389   4.964  -1.526
  497   1HMA  HEC  69          HM81      HEC  69   9.060  10.804  -6.418
  498   2HMA  HEC  69          HM82      HEC  69   8.903  11.891  -5.011
  499   3HMA  HEC  69          HM83      HEC  69  10.223  10.716  -5.098
  500   1HAA  HEC  69          HP71      HEC  69  10.177   7.939  -2.522
  501   2HAA  HEC  69          HP72      HEC  69  10.745   8.717  -3.979
  502   1HBA  HEC  69          HP73      HEC  69  10.513  10.948  -2.842
  503   2HBA  HEC  69          HP74      HEC  69  10.037  10.090  -1.383
  504   1HMB  HEC  69          HM11      HEC  69   5.731  11.819  -8.159
  505   2HMB  HEC  69          HM12      HEC  69   5.047  10.945  -9.530
  506   3HMB  HEC  69          HM13      HEC  69   4.044  12.066  -8.572
  507    HAB  HEC  69          HT2A      HEC  69   1.336   9.050  -8.706
  508   1HBB  HEC  69          HT21      HEC  69   2.815  11.153 -10.263
  509   2HBB  HEC  69          HT22      HEC  69   3.058   9.410 -10.544
  510   3HBB  HEC  69          HT23      HEC  69   1.458  10.134 -10.735
  511   1HMC  HEC  69          HM31      HEC  69  -0.073   5.596  -6.914
  512   2HMC  HEC  69          HM32      HEC  69  -1.105   5.244  -5.540
  513   3HMC  HEC  69          HM33      HEC  69  -0.856   6.922  -6.025
  514    HAC  HEC  69          HT4A      HEC  69   0.311   4.868  -1.886
  515   1HBC  HEC  69          HT41      HEC  69   0.441   2.928  -3.567
  516   2HBC  HEC  69          HT42      HEC  69  -0.956   3.036  -2.482
  517   3HBC  HEC  69          HT43      HEC  69  -1.123   3.537  -4.161
  518   1HMD  HEC  69          HM51      HEC  69   3.293   4.894   0.654
  519   2HMD  HEC  69          HM52      HEC  69   4.173   3.534  -0.079
  520   3HMD  HEC  69          HM53      HEC  69   4.913   4.483   1.230
  521   1HAD  HEC  69          HP61      HEC  69   8.041   6.365   0.240
  522   2HAD  HEC  69          HP62      HEC  69   6.877   5.647   1.282
  523   1HBD  HEC  69          HP63      HEC  69   7.350   3.503   0.624
  524   2HBD  HEC  69          HP64      HEC  69   7.899   3.988  -0.998
  525    HHA  HEC  70           HCM      HEC  70  -3.364  -5.078  -6.763
  526    HHB  HEC  70           HDM      HEC  70   0.235  -4.561  -1.492
  527    HHC  HEC  70           HAM      HEC  70  -2.080   1.278  -0.476
  528    HHD  HEC  70           HBM      HEC  70  -5.867   0.641  -5.541
  529   1HMA  HEC  70          HM81      HEC  70   1.099  -6.348  -3.109
  530   2HMA  HEC  70          HM82      HEC  70  -0.228  -6.987  -2.100
  531   3HMA  HEC  70          HM83      HEC  70   0.062  -7.654  -3.709
  532   1HAA  HEC  70          HP71      HEC  70  -1.999  -6.775  -6.728
  533   2HAA  HEC  70          HP72      HEC  70  -0.657  -7.443  -5.842
  534   1HBA  HEC  70          HP73      HEC  70  -2.240  -8.419  -4.179
  535   2HBA  HEC  70          HP74      HEC  70  -3.588  -7.762  -5.115
  536   1HMB  HEC  70          HM11      HEC  70   1.650  -3.522  -0.109
  537   2HMB  HEC  70          HM12      HEC  70   1.531  -2.294   1.153
  538   3HMB  HEC  70          HM13      HEC  70   0.333  -3.597   1.070
  539    HAB  HEC  70          HT2A      HEC  70  -0.620   0.976   0.938
  540   1HBB  HEC  70          HT21      HEC  70   1.552   1.136  -0.147
  541   2HBB  HEC  70          HT22      HEC  70   1.677   1.281   1.611
  542   3HBB  HEC  70          HT23      HEC  70   2.160  -0.219   0.806
  543   1HMC  HEC  70          HM31      HEC  70  -2.859   3.258  -0.952
  544   2HMC  HEC  70          HM32      HEC  70  -3.936   4.073  -2.065
  545   3HMC  HEC  70          HM33      HEC  70  -4.608   3.202  -0.677
  546    HAC  HEC  70          HT4A      HEC  70  -6.807   1.951  -4.180
  547   1HBC  HEC  70          HT41      HEC  70  -5.392   4.558  -3.629
  548   2HBC  HEC  70          HT42      HEC  70  -5.381   3.640  -5.157
  549   3HBC  HEC  70          HT43      HEC  70  -6.907   4.280  -4.509
  550   1HMD  HEC  70          HM51      HEC  70  -7.238  -0.437  -7.000
  551   2HMD  HEC  70          HM52      HEC  70  -5.935  -0.008  -8.119
  552   3HMD  HEC  70          HM53      HEC  70  -6.924  -1.462  -8.413
  553   1HAD  HEC  70          HP61      HEC  70  -4.839  -4.696  -8.273
  554   2HAD  HEC  70          HP62      HEC  70  -6.350  -3.814  -8.407
  555   1HBD  HEC  70          HP63      HEC  70  -5.130  -3.758 -10.493
  556   2HBD  HEC  70          HP64      HEC  70  -5.225  -2.124  -9.838
  557    HHA  HEC  71           HCM      HEC  71   4.373  -3.737   9.112
  558    HHB  HEC  71           HDM      HEC  71   1.742  -8.970  11.623
  559    HHC  HEC  71           HAM      HEC  71  -2.351  -9.094   6.729
  560    HHD  HEC  71           HBM      HEC  71   0.876  -4.417   3.859
  561   1HMA  HEC  71          HM81      HEC  71   3.211  -8.240  13.071
  562   2HMA  HEC  71          HM82      HEC  71   4.642  -7.189  13.098
  563   3HMA  HEC  71          HM83      HEC  71   3.062  -6.553  13.573
  564   1HAA  HEC  71          HP71      HEC  71   5.345  -4.051  11.001
  565   2HAA  HEC  71          HP72      HEC  71   5.222  -5.012  12.467
  566   1HBA  HEC  71          HP73      HEC  71   6.050  -6.932  10.957
  567   2HBA  HEC  71          HP74      HEC  71   6.611  -5.684   9.838
  568   1HMB  HEC  71          HM11      HEC  71  -0.919 -11.595  11.187
  569   2HMB  HEC  71          HM12      HEC  71   0.767 -11.143  11.403
  570   3HMB  HEC  71          HM13      HEC  71  -0.514 -10.214  12.225
  571    HAB  HEC  71          HT2A      HEC  71  -3.242 -10.172   8.355
  572   1HBB  HEC  71          HT21      HEC  71  -2.991 -10.534  11.339
  573   2HBB  HEC  71          HT22      HEC  71  -3.611  -9.091  10.506
  574   3HBB  HEC  71          HT23      HEC  71  -4.449 -10.644  10.336
  575   1HMC  HEC  71          HM31      HEC  71  -2.550  -9.234   4.450
  576   2HMC  HEC  71          HM32      HEC  71  -3.770  -7.987   4.795
  577   3HMC  HEC  71          HM33      HEC  71  -2.927  -8.027   3.226
  578    HAC  HEC  71          HT4A      HEC  71  -0.843  -4.733   2.757
  579   1HBC  HEC  71          HT41      HEC  71  -3.032  -4.671   1.802
  580   2HBC  HEC  71          HT42      HEC  71  -3.611  -5.928   2.901
  581   3HBC  HEC  71          HT43      HEC  71  -3.086  -4.361   3.548
  582   1HMD  HEC  71          HM51      HEC  71   3.584  -2.999   3.573
  583   2HMD  HEC  71          HM52      HEC  71   1.910  -2.445   3.755
  584   3HMD  HEC  71          HM53      HEC  71   3.218  -1.529   4.489
  585   1HAD  HEC  71          HP61      HEC  71   4.754  -1.554   6.041
  586   2HAD  HEC  71          HP62      HEC  71   4.198  -1.662   7.700
  587   1HBD  HEC  71          HP63      HEC  71   5.989  -3.821   7.366
  588   2HBD  HEC  71          HP64      HEC  71   6.730  -2.450   6.522
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1  11.681   0.794  -8.526
    2   2H    ALA   1          2H        ALA   1  12.861   1.004  -7.371
    3   3H    ALA   1          3H        ALA   1  11.396   0.335  -6.992
    4    HA   ALA   1           HA       ALA   1  11.329   2.499  -6.158
    5   1HB   ALA   1          1HB       ALA   1  13.102   3.522  -7.460
    6   2HB   ALA   1          2HB       ALA   1  12.166   3.374  -8.960
    7   3HB   ALA   1          3HB       ALA   1  11.609   4.453  -7.663
    8    H    ASP   2           H        ASP   2  10.375   2.522  -9.610
    9    HA   ASP   2           HA       ASP   2   7.732   2.404  -9.804
   10   1HB   ASP   2          1HB       ASP   2   8.252   0.669 -11.549
   11   2HB   ASP   2          2HB       ASP   2   9.353   2.047 -11.622
   12    H    VAL   3           H        VAL   3   9.716  -0.345  -8.636
   13    HA   VAL   3           HA       VAL   3   7.311  -1.228  -7.057
   14    HB   VAL   3           HB       VAL   3   9.541  -2.993  -8.153
   15   1HG1  VAL   3          1HG1      VAL   3   6.971  -3.659  -6.639
   16   2HG1  VAL   3          2HG1      VAL   3   8.062  -4.848  -7.377
   17   3HG1  VAL   3          3HG1      VAL   3   8.631  -3.856  -6.031
   18   1HG2  VAL   3          1HG2      VAL   3   7.745  -3.976  -9.583
   19   2HG2  VAL   3          2HG2      VAL   3   6.635  -2.705  -9.045
   20   3HG2  VAL   3          3HG2      VAL   3   8.075  -2.293 -10.000
   21    H    VAL   4           H        VAL   4   7.682  -1.634  -4.859
   22    HA   VAL   4           HA       VAL   4  10.458  -1.581  -3.822
   23    HB   VAL   4           HB       VAL   4   8.204   0.172  -2.840
   24   1HG1  VAL   4          1HG1      VAL   4   9.837   0.900  -1.035
   25   2HG1  VAL   4          2HG1      VAL   4   9.323  -0.762  -0.815
   26   3HG1  VAL   4          3HG1      VAL   4  10.909  -0.424  -1.522
   27   1HG2  VAL   4          1HG2      VAL   4   9.472   1.206  -4.615
   28   2HG2  VAL   4          2HG2      VAL   4   9.853   1.991  -3.077
   29   3HG2  VAL   4          3HG2      VAL   4  11.004   0.831  -3.782
   30    H    THR   5           H        THR   5  10.484  -2.515  -1.616
   31    HA   THR   5           HA       THR   5   7.953  -3.580  -0.799
   32    HB   THR   5           HB       THR   5   9.057  -5.621  -1.676
   33    HG1  THR   5           HG1      THR   5   8.185  -5.380   0.609
   34   1HG2  THR   5          1HG2      THR   5  11.418  -4.886  -1.713
   35   2HG2  THR   5          2HG2      THR   5  11.464  -4.928   0.065
   36   3HG2  THR   5          3HG2      THR   5  11.230  -6.423  -0.854
   37    H    TYR   6           H        TYR   6   7.527  -3.532   1.274
   38    HA   TYR   6           HA       TYR   6   9.419  -2.231   3.138
   39   1HB   TYR   6          1HB       TYR   6   6.771  -3.446   3.860
   40   2HB   TYR   6          2HB       TYR   6   7.709  -2.238   4.724
   41    HD1  TYR   6           HD1      TYR   6   4.983  -2.823   2.562
   42    HD2  TYR   6           HD2      TYR   6   8.100   0.045   3.307
   43    HE1  TYR   6           HE1      TYR   6   3.630  -1.085   1.468
   44    HE2  TYR   6           HE2      TYR   6   6.816   1.732   2.083
   45    HH   TYR   6           HH       TYR   6   5.029   1.909   0.560
   46    H    GLU   7           H        GLU   7  11.080  -3.752   3.599
   47    HA   GLU   7           HA       GLU   7  10.564  -6.552   3.789
   48   1HB   GLU   7          1HB       GLU   7  12.848  -5.015   4.896
   49   2HB   GLU   7          2HB       GLU   7  12.748  -6.762   4.621
   50   1HG   GLU   7          1HG       GLU   7  12.517  -6.359   2.165
   51   2HG   GLU   7          2HG       GLU   7  12.681  -4.612   2.428
   52    H    ASN   8           H        ASN   8   8.717  -6.241   5.234
   53    HA   ASN   8           HA       ASN   8   9.132  -5.984   8.138
   54   1HB   ASN   8          1HB       ASN   8   6.916  -7.427   8.192
   55   2HB   ASN   8          2HB       ASN   8   6.873  -5.721   7.966
   56   1HD2  ASN   8          1HD2      ASN   8   6.587  -4.913   5.871
   57   2HD2  ASN   8          2HD2      ASN   8   5.753  -5.828   4.601
   58    H    LYS   9           H        LYS   9   8.938  -7.678   9.596
   59    HA   LYS   9           HA       LYS   9  10.699  -9.839   8.907
   60   1HB   LYS   9          1HB       LYS   9  10.681  -8.470  11.026
   61   2HB   LYS   9          2HB       LYS   9   9.119  -9.192  11.455
   62   1HG   LYS   9          1HG       LYS   9  10.322 -11.462  11.424
   63   2HG   LYS   9          2HG       LYS   9  11.836 -10.552  11.304
   64   1HD   LYS   9          1HD       LYS   9   9.730 -10.407  13.515
   65   2HD   LYS   9          2HD       LYS   9  11.351 -11.114  13.643
   66   1HE   LYS   9          1HE       LYS   9  12.331  -8.818  13.220
   67   2HE   LYS   9          2HE       LYS   9  10.690  -8.143  13.212
   68   1HZ   LYS   9          1HZ       LYS   9  11.929  -9.482  15.507
   69   2HZ   LYS   9          2HZ       LYS   9  11.711  -7.863  15.311
   70   3HZ   LYS   9          3HZ       LYS   9  10.406  -8.847  15.451
   71    H    LYS  10           H        LYS  10   7.274  -9.306   9.413
   72    HA   LYS  10           HA       LYS  10   5.989 -11.777   9.350
   73   1HB   LYS  10          1HB       LYS  10   5.633  -9.156   7.973
   74   2HB   LYS  10          2HB       LYS  10   4.762 -10.473   7.245
   75   1HG   LYS  10          1HG       LYS  10   4.637  -9.621  10.152
   76   2HG   LYS  10          2HG       LYS  10   3.512  -9.121   8.886
   77   1HD   LYS  10          1HD       LYS  10   3.818 -11.891  10.125
   78   2HD   LYS  10          2HD       LYS  10   2.378 -10.864  10.039
   79   1HE   LYS  10          1HE       LYS  10   2.460 -11.150   7.491
   80   2HE   LYS  10          2HE       LYS  10   3.741 -12.343   7.743
   81   1HZ   LYS  10          1HZ       LYS  10   2.190 -13.661   9.020
   82   2HZ   LYS  10          2HZ       LYS  10   0.959 -12.623   8.622
   83   3HZ   LYS  10          3HZ       LYS  10   1.768 -13.486   7.477
   84    H    GLY  11           H        GLY  11   7.004 -10.153   6.352
   85   1HA   GLY  11          1HA       GLY  11   8.854 -11.934   5.419
   86   2HA   GLY  11          2HA       GLY  11   7.344 -12.679   4.893
   87    H    ASN  12           H        ASN  12   8.273  -9.270   5.158
   88    HA   ASN  12           HA       ASN  12   8.648  -7.630   3.741
   89   1HB   ASN  12          1HB       ASN  12   9.336  -9.685   1.665
   90   2HB   ASN  12          2HB       ASN  12   9.880  -8.018   1.752
   91   1HD2  ASN  12          1HD2      ASN  12  10.172  -8.767   5.022
   92   2HD2  ASN  12          2HD2      ASN  12  11.791  -9.390   4.910
   93    H    VAL  13           H        VAL  13   7.039  -6.362   2.981
   94    HA   VAL  13           HA       VAL  13   4.800  -7.549   1.368
   95    HB   VAL  13           HB       VAL  13   5.108  -4.987   2.945
   96   1HG1  VAL  13          1HG1      VAL  13   2.990  -5.735   0.894
   97   2HG1  VAL  13          2HG1      VAL  13   2.698  -4.576   2.200
   98   3HG1  VAL  13          3HG1      VAL  13   3.945  -4.233   0.996
   99   1HG2  VAL  13          1HG2      VAL  13   2.918  -7.081   3.088
  100   2HG2  VAL  13          2HG2      VAL  13   4.439  -7.239   3.979
  101   3HG2  VAL  13          3HG2      VAL  13   3.373  -5.853   4.292
  102    H    THR  14           H        THR  14   5.102  -7.438  -0.804
  103    HA   THR  14           HA       THR  14   6.749  -5.327  -2.003
  104    HB   THR  14           HB       THR  14   4.983  -7.428  -3.314
  105    HG1  THR  14           HG1      THR  14   6.958  -8.570  -3.437
  106   1HG2  THR  14          1HG2      THR  14   6.558  -7.097  -5.234
  107   2HG2  THR  14          2HG2      THR  14   5.638  -5.631  -4.883
  108   3HG2  THR  14          3HG2      THR  14   7.332  -5.763  -4.354
  109    H    PHE  15           H        PHE  15   5.963  -3.563  -3.175
  110    HA   PHE  15           HA       PHE  15   3.096  -3.387  -3.747
  111   1HB   PHE  15          1HB       PHE  15   2.890  -1.100  -2.977
  112   2HB   PHE  15          2HB       PHE  15   3.235  -2.188  -1.642
  113    HD1  PHE  15           HD1      PHE  15   4.193   0.881  -3.221
  114    HD2  PHE  15           HD2      PHE  15   5.639  -2.366  -0.768
  115    HE1  PHE  15           HE1      PHE  15   5.859   2.398  -2.181
  116    HE2  PHE  15           HE2      PHE  15   7.333  -0.867   0.203
  117    HZ   PHE  15           HZ       PHE  15   7.434   1.506  -0.454
  118    H    ASP  16           H        ASP  16   2.962  -3.046  -5.866
  119    HA   ASP  16           HA       ASP  16   5.061  -1.898  -7.469
  120   1HB   ASP  16          1HB       ASP  16   2.110  -2.404  -8.029
  121   2HB   ASP  16          2HB       ASP  16   3.334  -1.834  -9.192
  122    H    HIS  17           H        HIS  17   5.590   0.186  -7.188
  123    HA   HIS  17           HA       HIS  17   3.817   2.161  -5.983
  124   1HB   HIS  17          1HB       HIS  17   6.270   1.968  -5.545
  125   2HB   HIS  17          2HB       HIS  17   6.581   2.269  -7.247
  126    HD1  HIS  17           HND      HIS  17   7.510   4.574  -7.559
  127    HD2  HIS  17           HD       HIS  17   4.509   4.273  -4.628
  128    HE1  HIS  17           HE       HIS  17   7.049   6.960  -6.698
  129    H    LYS  18           H        LYS  18   5.584   1.864  -9.053
  130    HA   LYS  18           HA       LYS  18   4.415   3.980 -10.506
  131   1HB   LYS  18          1HB       LYS  18   6.400   3.109 -11.328
  132   2HB   LYS  18          2HB       LYS  18   5.837   1.418 -11.268
  133   1HG   LYS  18          1HG       LYS  18   4.384   1.776 -13.144
  134   2HG   LYS  18          2HG       LYS  18   4.665   3.529 -13.093
  135   1HD   LYS  18          1HD       LYS  18   6.989   3.209 -13.741
  136   2HD   LYS  18          2HD       LYS  18   6.808   1.437 -13.636
  137   1HE   LYS  18          1HE       LYS  18   5.094   1.469 -15.422
  138   2HE   LYS  18          2HE       LYS  18   5.169   3.232 -15.509
  139   1HZ   LYS  18          1HZ       LYS  18   6.399   2.185 -17.244
  140   2HZ   LYS  18          2HZ       LYS  18   7.428   3.033 -16.278
  141   3HZ   LYS  18          3HZ       LYS  18   7.362   1.386 -16.175
  142    H    ALA  19           H        ALA  19   3.554   0.483 -10.544
  143    HA   ALA  19           HA       ALA  19   1.488   0.587 -12.389
  144   1HB   ALA  19          1HB       ALA  19   2.367  -1.484 -11.279
  145   2HB   ALA  19          2HB       ALA  19   1.405  -1.010  -9.839
  146   3HB   ALA  19          3HB       ALA  19   0.588  -1.399 -11.364
  147    H    HIS  20           H        HIS  20   1.115   0.925  -8.795
  148    HA   HIS  20           HA       HIS  20  -1.691   1.495  -8.847
  149   1HB   HIS  20          1HB       HIS  20   0.528   2.139  -6.873
  150   2HB   HIS  20          2HB       HIS  20  -1.131   2.674  -6.659
  151    HD1  HIS  20           HND      HIS  20   0.842  -0.614  -6.746
  152    HD2  HIS  20           HD       HIS  20  -2.792   1.048  -5.470
  153    HE1  HIS  20           HE       HIS  20  -0.275  -2.348  -5.246
  154    H    ALA  21           H        ALA  21   1.238   3.446  -9.285
  155    HA   ALA  21           HA       ALA  21  -0.036   6.019  -9.085
  156   1HB   ALA  21          1HB       ALA  21   2.382   5.488 -10.842
  157   2HB   ALA  21          2HB       ALA  21   1.891   6.962 -10.033
  158   3HB   ALA  21          3HB       ALA  21   2.475   5.574  -9.075
  159    H    GLU  22           H        GLU  22   0.627   4.031 -11.945
  160    HA   GLU  22           HA       GLU  22  -0.611   5.984 -13.726
  161   1HB   GLU  22          1HB       GLU  22  -0.246   4.374 -15.534
  162   2HB   GLU  22          2HB       GLU  22   1.209   4.779 -14.614
  163   1HG   GLU  22          1HG       GLU  22   0.955   2.587 -13.394
  164   2HG   GLU  22          2HG       GLU  22  -0.359   2.179 -14.509
  165    H    LYS  23           H        LYS  23  -1.634   2.803 -12.397
  166    HA   LYS  23           HA       LYS  23  -4.178   2.644 -13.540
  167   1HB   LYS  23          1HB       LYS  23  -3.123   1.932 -10.773
  168   2HB   LYS  23          2HB       LYS  23  -4.669   1.366 -11.392
  169   1HG   LYS  23          1HG       LYS  23  -2.063   0.825 -12.922
  170   2HG   LYS  23          2HG       LYS  23  -2.604  -0.186 -11.568
  171   1HD   LYS  23          1HD       LYS  23  -4.772  -0.475 -12.742
  172   2HD   LYS  23          2HD       LYS  23  -4.116   0.429 -14.131
  173   1HE   LYS  23          1HE       LYS  23  -2.473  -1.285 -14.586
  174   2HE   LYS  23          2HE       LYS  23  -2.721  -2.040 -12.998
  175   1HZ   LYS  23          1HZ       LYS  23  -4.832  -2.740 -13.598
  176   2HZ   LYS  23          2HZ       LYS  23  -4.777  -2.046 -15.093
  177   3HZ   LYS  23          3HZ       LYS  23  -3.778  -3.310 -14.701
  178    H    LEU  24           H        LEU  24  -3.164   4.379 -10.543
  179    HA   LEU  24           HA       LEU  24  -5.952   5.296 -10.160
  180   1HB   LEU  24          1HB       LEU  24  -3.536   5.585  -8.355
  181   2HB   LEU  24          2HB       LEU  24  -5.223   5.884  -7.947
  182    HG   LEU  24           HG       LEU  24  -4.211   3.122  -8.792
  183   1HD1  LEU  24          1HD1      LEU  24  -4.246   2.627  -6.356
  184   2HD1  LEU  24          2HD1      LEU  24  -2.999   3.798  -6.830
  185   3HD1  LEU  24          3HD1      LEU  24  -4.457   4.366  -6.041
  186   1HD2  LEU  24          1HD2      LEU  24  -6.777   4.102  -7.479
  187   2HD2  LEU  24          2HD2      LEU  24  -6.605   3.351  -9.078
  188   3HD2  LEU  24          3HD2      LEU  24  -6.293   2.399  -7.622
  189    H    GLY  25           H        GLY  25  -2.620   6.829 -10.190
  190   1HA   GLY  25          1HA       GLY  25  -2.847   8.879 -11.721
  191   2HA   GLY  25          2HA       GLY  25  -3.846   9.511 -10.387
  192    H    CYS  26           H        CYS  26  -2.903   9.637  -8.290
  193    HA   CYS  26           HA       CYS  26  -0.185   9.112  -7.607
  194   1HB   CYS  26          1HB       CYS  26  -0.067  11.120  -9.477
  195   2HB   CYS  26          2HB       CYS  26  -0.473  12.091  -8.090
  196    H    ASP  27           H        ASP  27  -2.665  11.381  -7.502
  197    HA   ASP  27           HA       ASP  27  -2.848  12.666  -5.024
  198   1HB   ASP  27          1HB       ASP  27  -5.264  12.680  -5.665
  199   2HB   ASP  27          2HB       ASP  27  -4.206  13.211  -6.977
  200    H    ALA  28           H        ALA  28  -4.024   9.597  -6.190
  201    HA   ALA  28           HA       ALA  28  -5.592   8.579  -4.234
  202   1HB   ALA  28          1HB       ALA  28  -5.048   7.540  -6.398
  203   2HB   ALA  28          2HB       ALA  28  -3.452   7.055  -5.781
  204   3HB   ALA  28          3HB       ALA  28  -4.933   6.372  -5.060
  205    H    CYS  29           H        CYS  29  -2.071   8.789  -4.068
  206    HA   CYS  29           HA       CYS  29  -2.185   7.868  -1.201
  207   1HB   CYS  29          1HB       CYS  29   0.111   7.567  -3.121
  208   2HB   CYS  29          2HB       CYS  29   0.036   6.991  -1.445
  209    H    HIS  30           H        HIS  30  -0.516   9.926  -3.641
  210    HA   HIS  30           HA       HIS  30   0.812  11.440  -1.461
  211   1HB   HIS  30          1HB       HIS  30   1.077  11.452  -4.478
  212   2HB   HIS  30          2HB       HIS  30   1.925  12.549  -3.401
  213    HD1  HIS  30           HND      HIS  30   3.593  11.297  -1.563
  214    HD2  HIS  30           HD       HIS  30   2.286   9.192  -4.921
  215    HE1  HIS  30           HE       HIS  30   5.296   9.344  -1.991
  216    H    GLU  31           H        GLU  31  -1.232  12.237  -0.692
  217    HA   GLU  31           HA       GLU  31  -2.939  13.925  -2.089
  218   1HB   GLU  31          1HB       GLU  31  -2.086  13.819   0.803
  219   2HB   GLU  31          2HB       GLU  31  -3.093  15.172   0.252
  220   1HG   GLU  31          1HG       GLU  31  -4.779  13.736  -0.628
  221   2HG   GLU  31          2HG       GLU  31  -3.764  12.326  -0.480
  222    H    GLY  32           H        GLY  32  -2.767  15.646  -3.088
  223   1HA   GLY  32          1HA       GLY  32  -2.108  17.748  -3.849
  224   2HA   GLY  32          2HA       GLY  32  -1.121  17.945  -2.396
  225    H    THR  33           H        THR  33   0.860  16.179  -2.484
  226    HA   THR  33           HA       THR  33   2.118  15.988  -5.087
  227    HB   THR  33           HB       THR  33   2.306  18.404  -4.730
  228    HG1  THR  33           HG1      THR  33   4.570  18.535  -4.868
  229   1HG2  THR  33          1HG2      THR  33   3.853  17.774  -2.175
  230   2HG2  THR  33          2HG2      THR  33   3.577  19.374  -2.884
  231   3HG2  THR  33          3HG2      THR  33   2.214  18.455  -2.231
  232    HA   PRO  34           HA       PRO  34   4.120  13.011  -2.500
  233   1HB   PRO  34          1HB       PRO  34   6.042  11.953  -4.088
  234   2HB   PRO  34          2HB       PRO  34   4.322  11.805  -4.531
  235   1HG   PRO  34          1HG       PRO  34   6.241  13.870  -5.498
  236   2HG   PRO  34          2HG       PRO  34   5.144  12.803  -6.449
  237   1HD   PRO  34          1HD       PRO  34   4.449  15.370  -5.813
  238   2HD   PRO  34          2HD       PRO  34   3.240  14.052  -5.819
  239    H    ALA  35           H        ALA  35   5.875  12.564  -1.175
  240    HA   ALA  35           HA       ALA  35   8.471  13.780  -1.498
  241   1HB   ALA  35          1HB       ALA  35   6.697  14.660   0.834
  242   2HB   ALA  35          2HB       ALA  35   8.442  14.968   0.691
  243   3HB   ALA  35          3HB       ALA  35   7.315  15.706  -0.462
  244    H    LYS  36           H        LYS  36   8.211  11.290  -1.737
  245    HA   LYS  36           HA       LYS  36   7.664   9.270  -1.154
  246   1HB   LYS  36          1HB       LYS  36   8.978   8.197   0.545
  247   2HB   LYS  36          2HB       LYS  36   9.932   9.362  -0.366
  248   1HG   LYS  36          1HG       LYS  36  10.065  10.887   1.444
  249   2HG   LYS  36          2HG       LYS  36   8.785  10.075   2.342
  250   1HD   LYS  36          1HD       LYS  36  11.136   9.557   3.161
  251   2HD   LYS  36          2HD       LYS  36  10.100   8.171   2.821
  252   1HE   LYS  36          1HE       LYS  36  12.381   7.807   1.964
  253   2HE   LYS  36          2HE       LYS  36  11.192   7.716   0.699
  254   1HZ   LYS  36          1HZ       LYS  36  11.773  10.104   0.239
  255   2HZ   LYS  36          2HZ       LYS  36  13.132   9.881   1.158
  256   3HZ   LYS  36          3HZ       LYS  36  12.814   9.004  -0.222
  257    H    ILE  37           H        ILE  37   7.116   7.817   1.148
  258    HA   ILE  37           HA       ILE  37   5.318   9.506   2.746
  259    HB   ILE  37           HB       ILE  37   4.538   6.665   1.964
  260   1HG1  ILE  37          1HG1      ILE  37   4.334   8.090   0.008
  261   2HG1  ILE  37          2HG1      ILE  37   2.949   7.214   0.606
  262   1HG2  ILE  37          1HG2      ILE  37   3.630   7.463   4.204
  263   2HG2  ILE  37          2HG2      ILE  37   3.072   8.939   3.435
  264   3HG2  ILE  37          3HG2      ILE  37   2.343   7.385   2.996
  265   1HD1  ILE  37          1HD1      ILE  37   2.337   9.481  -0.202
  266   2HD1  ILE  37          2HD1      ILE  37   1.891   9.228   1.475
  267   3HD1  ILE  37          3HD1      ILE  37   3.327  10.200   1.089
  268    H    ALA  38           H        ALA  38   5.183   6.393   3.738
  269    HA   ALA  38           HA       ALA  38   7.525   5.394   4.733
  270   1HB   ALA  38          1HB       ALA  38   6.400   7.588   6.505
  271   2HB   ALA  38          2HB       ALA  38   7.456   6.292   7.124
  272   3HB   ALA  38          3HB       ALA  38   8.087   7.436   5.935
  273    H    ILE  39           H        ILE  39   5.618   3.956   3.960
  274    HA   ILE  39           HA       ILE  39   3.463   3.618   6.017
  275    HB   ILE  39           HB       ILE  39   3.856   2.442   3.255
  276   1HG1  ILE  39          1HG1      ILE  39   3.352   4.728   3.020
  277   2HG1  ILE  39          2HG1      ILE  39   1.858   3.827   2.740
  278   1HG2  ILE  39          1HG2      ILE  39   1.532   1.609   3.543
  279   2HG2  ILE  39          2HG2      ILE  39   2.656   0.846   4.653
  280   3HG2  ILE  39          3HG2      ILE  39   1.580   2.126   5.241
  281   1HD1  ILE  39          1HD1      ILE  39   2.629   5.562   5.118
  282   2HD1  ILE  39          2HD1      ILE  39   1.218   5.703   4.054
  283   3HD1  ILE  39          3HD1      ILE  39   1.315   4.392   5.232
  284    H    ASP  40           H        ASP  40   3.904   2.463   7.588
  285    HA   ASP  40           HA       ASP  40   5.032  -0.230   7.202
  286   1HB   ASP  40          1HB       ASP  40   6.386  -0.120   9.135
  287   2HB   ASP  40          2HB       ASP  40   6.801   1.236   8.140
  288    H    LYS  41           H        LYS  41   4.651  -1.406   9.332
  289    HA   LYS  41           HA       LYS  41   2.435  -2.174  10.273
  290   1HB   LYS  41          1HB       LYS  41   3.415  -2.020  12.632
  291   2HB   LYS  41          2HB       LYS  41   4.338  -2.862  11.388
  292   1HG   LYS  41          1HG       LYS  41   5.807  -0.987  11.065
  293   2HG   LYS  41          2HG       LYS  41   4.809   0.069  12.073
  294   1HD   LYS  41          1HD       LYS  41   5.439  -1.296  14.052
  295   2HD   LYS  41          2HD       LYS  41   6.443  -2.327  12.988
  296   1HE   LYS  41          1HE       LYS  41   7.699  -0.272  12.236
  297   2HE   LYS  41          2HE       LYS  41   6.727   0.720  13.326
  298   1HZ   LYS  41          1HZ       LYS  41   8.845   0.195  14.235
  299   2HZ   LYS  41          2HZ       LYS  41   7.671  -0.491  15.164
  300   3HZ   LYS  41          3HZ       LYS  41   8.566  -1.426  14.135
  301    H    LYS  42           H        LYS  42   0.663  -1.528  10.924
  302    HA   LYS  42           HA       LYS  42  -1.065  -0.422  11.808
  303   1HB   LYS  42          1HB       LYS  42   0.744   0.642  13.415
  304   2HB   LYS  42          2HB       LYS  42   0.493   2.099  12.429
  305   1HG   LYS  42          1HG       LYS  42  -1.981   1.786  12.823
  306   2HG   LYS  42          2HG       LYS  42  -1.553   0.411  13.872
  307   1HD   LYS  42          1HD       LYS  42  -0.206   1.926  15.320
  308   2HD   LYS  42          2HD       LYS  42  -0.531   3.288  14.230
  309   1HE   LYS  42          1HE       LYS  42  -2.959   3.151  14.770
  310   2HE   LYS  42          2HE       LYS  42  -2.641   1.797  15.868
  311   1HZ   LYS  42          1HZ       LYS  42  -1.569   4.529  16.174
  312   2HZ   LYS  42          2HZ       LYS  42  -2.806   3.880  17.039
  313   3HZ   LYS  42          3HZ       LYS  42  -1.289   3.274  17.198
  314    H    SER  43           H        SER  43   1.023   2.062  10.080
  315    HA   SER  43           HA       SER  43  -1.293   3.443   9.151
  316   1HB   SER  43          1HB       SER  43   1.601   3.733   8.878
  317   2HB   SER  43          2HB       SER  43   0.807   3.935   7.310
  318    HG   SER  43           HG       SER  43  -0.611   5.404   8.222
  319    H    ALA  44           H        ALA  44   0.861   1.145   7.610
  320    HA   ALA  44           HA       ALA  44  -0.029   0.194   5.278
  321   1HB   ALA  44          1HB       ALA  44   0.240  -2.034   6.334
  322   2HB   ALA  44          2HB       ALA  44   1.536  -0.849   6.719
  323   3HB   ALA  44          3HB       ALA  44   0.324  -1.268   7.929
  324    H    HIS  45           H        HIS  45  -1.710  -0.599   8.327
  325    HA   HIS  45           HA       HIS  45  -3.826  -2.006   6.836
  326   1HB   HIS  45          1HB       HIS  45  -3.133  -1.786   9.784
  327   2HB   HIS  45          2HB       HIS  45  -4.445  -2.754   9.140
  328    HD1  HIS  45           HND      HIS  45  -2.759  -4.333  10.829
  329    HD2  HIS  45           HD       HIS  45  -1.645  -3.645   6.818
  330    HE1  HIS  45           HE       HIS  45  -1.263  -6.258  10.137
  331    H    LYS  46           H        LYS  46  -3.253   1.061   8.313
  332    HA   LYS  46           HA       LYS  46  -6.052   1.500   9.154
  333   1HB   LYS  46          1HB       LYS  46  -4.077   1.890  10.605
  334   2HB   LYS  46          2HB       LYS  46  -3.503   3.139   9.511
  335   1HG   LYS  46          1HG       LYS  46  -6.061   3.190  11.162
  336   2HG   LYS  46          2HG       LYS  46  -4.522   3.991  11.514
  337   1HD   LYS  46          1HD       LYS  46  -4.982   5.043   9.073
  338   2HD   LYS  46          2HD       LYS  46  -6.652   4.735   9.537
  339   1HE   LYS  46          1HE       LYS  46  -6.211   6.957  10.195
  340   2HE   LYS  46          2HE       LYS  46  -6.047   6.061  11.714
  341   1HZ   LYS  46          1HZ       LYS  46  -3.832   6.874   9.911
  342   2HZ   LYS  46          2HZ       LYS  46  -4.224   7.654  11.301
  343   3HZ   LYS  46          3HZ       LYS  46  -3.621   6.115  11.315
  344    H    ASP  47           H        ASP  47  -3.551   3.406   7.429
  345    HA   ASP  47           HA       ASP  47  -5.704   4.848   5.931
  346   1HB   ASP  47          1HB       ASP  47  -3.936   6.726   5.939
  347   2HB   ASP  47          2HB       ASP  47  -4.911   6.458   7.366
  348    H    ALA  48           H        ALA  48  -2.721   3.047   5.558
  349    HA   ALA  48           HA       ALA  48  -2.344   4.148   2.846
  350   1HB   ALA  48          1HB       ALA  48  -0.459   3.755   4.206
  351   2HB   ALA  48          2HB       ALA  48  -0.838   2.041   4.395
  352   3HB   ALA  48          3HB       ALA  48  -0.396   2.686   2.788
  353    H    CYS  49           H        CYS  49  -2.194   0.659   3.659
  354    HA   CYS  49           HA       CYS  49  -3.077   0.184   0.953
  355   1HB   CYS  49          1HB       CYS  49  -2.360  -1.863   3.025
  356   2HB   CYS  49          2HB       CYS  49  -2.297  -2.025   1.279
  357    H    LYS  50           H        LYS  50  -4.162  -1.269   4.053
  358    HA   LYS  50           HA       LYS  50  -6.448  -2.542   2.858
  359   1HB   LYS  50          1HB       LYS  50  -5.914  -1.800   5.741
  360   2HB   LYS  50          2HB       LYS  50  -7.258  -2.811   5.190
  361   1HG   LYS  50          1HG       LYS  50  -5.681  -4.399   4.160
  362   2HG   LYS  50          2HG       LYS  50  -4.321  -3.409   4.741
  363   1HD   LYS  50          1HD       LYS  50  -5.157  -3.820   7.100
  364   2HD   LYS  50          2HD       LYS  50  -6.357  -4.943   6.436
  365   1HE   LYS  50          1HE       LYS  50  -4.633  -6.374   5.502
  366   2HE   LYS  50          2HE       LYS  50  -3.383  -5.153   5.802
  367   1HZ   LYS  50          1HZ       LYS  50  -4.631  -6.891   7.781
  368   2HZ   LYS  50          2HZ       LYS  50  -3.029  -6.664   7.404
  369   3HZ   LYS  50          3HZ       LYS  50  -3.836  -5.502   8.193
  370    H    THR  51           H        THR  51  -6.005   0.800   3.898
  371    HA   THR  51           HA       THR  51  -8.707   1.450   4.388
  372    HB   THR  51           HB       THR  51  -6.334   2.842   4.400
  373    HG1  THR  51           HG1      THR  51  -7.765   3.449   5.771
  374   1HG2  THR  51          1HG2      THR  51  -7.989   4.080   2.157
  375   2HG2  THR  51          2HG2      THR  51  -6.708   4.880   3.052
  376   3HG2  THR  51          3HG2      THR  51  -6.316   3.470   2.062
  377    H    CYS  52           H        CYS  52  -6.887   1.325   1.304
  378    HA   CYS  52           HA       CYS  52  -9.304   1.649  -0.372
  379   1HB   CYS  52          1HB       CYS  52  -6.402   0.883  -0.819
  380   2HB   CYS  52          2HB       CYS  52  -7.633   0.619  -2.048
  381    H    HIS  53           H        HIS  53  -6.997  -0.844   0.575
  382    HA   HIS  53           HA       HIS  53  -8.344  -3.000  -0.714
  383   1HB   HIS  53          1HB       HIS  53  -5.846  -2.699   0.954
  384   2HB   HIS  53          2HB       HIS  53  -6.511  -4.288   0.613
  385    HD1  HIS  53           HND      HIS  53  -6.287  -5.097  -1.684
  386    HD2  HIS  53           HD       HIS  53  -4.689  -1.281  -1.090
  387    HE1  HIS  53           HE       HIS  53  -4.678  -4.575  -3.715
  388    H    LYS  54           H        LYS  54 -10.057  -1.731   1.175
  389    HA   LYS  54           HA       LYS  54 -11.090  -4.222   2.442
  390   1HB   LYS  54          1HB       LYS  54 -11.336  -1.332   3.252
  391   2HB   LYS  54          2HB       LYS  54 -12.548  -2.548   3.717
  392   1HG   LYS  54          1HG       LYS  54 -11.020  -3.829   4.988
  393   2HG   LYS  54          2HG       LYS  54  -9.635  -3.153   4.144
  394   1HD   LYS  54          1HD       LYS  54  -9.522  -2.253   6.266
  395   2HD   LYS  54          2HD       LYS  54 -10.031  -0.941   5.213
  396   1HE   LYS  54          1HE       LYS  54 -11.870  -2.560   7.058
  397   2HE   LYS  54          2HE       LYS  54 -11.171  -0.982   7.441
  398   1HZ   LYS  54          1HZ       LYS  54 -12.337  -0.084   5.515
  399   2HZ   LYS  54          2HZ       LYS  54 -13.075  -1.533   5.276
  400   3HZ   LYS  54          3HZ       LYS  54 -13.364  -0.688   6.653
  401    H    SER  55           H        SER  55 -11.465  -1.845  -0.137
  402    HA   SER  55           HA       SER  55 -14.402  -2.327  -0.275
  403   1HB   SER  55          1HB       SER  55 -13.502   0.011   0.115
  404   2HB   SER  55          2HB       SER  55 -12.823  -0.059  -1.522
  405    HG   SER  55           HG       SER  55 -15.085  -0.638  -2.147
  406    H    ASN  56           H        ASN  56 -11.377  -2.284  -2.267
  407    HA   ASN  56           HA       ASN  56 -12.862  -2.898  -4.705
  408   1HB   ASN  56          1HB       ASN  56 -10.664  -3.202  -5.739
  409   2HB   ASN  56          2HB       ASN  56 -10.847  -1.630  -4.952
  410   1HD2  ASN  56          1HD2      ASN  56  -8.274  -2.767  -5.639
  411   2HD2  ASN  56          2HD2      ASN  56  -7.444  -3.011  -4.113
  412    H    ASN  57           H        ASN  57 -10.514  -4.733  -2.670
  413    HA   ASN  57           HA       ASN  57 -12.103  -7.035  -2.428
  414   1HB   ASN  57          1HB       ASN  57 -11.563  -7.436  -4.848
  415   2HB   ASN  57          2HB       ASN  57  -9.841  -7.251  -4.477
  416   1HD2  ASN  57          1HD2      ASN  57  -9.327  -9.419  -5.177
  417   2HD2  ASN  57          2HD2      ASN  57  -9.861 -10.806  -4.248
  418    H    GLY  58           H        GLY  58 -10.729  -8.754  -1.240
  419   1HA   GLY  58          1HA       GLY  58  -8.042  -8.207  -0.564
  420   2HA   GLY  58          2HA       GLY  58  -9.092  -7.646   0.765
  421    HA   PRO  59           HA       PRO  59  -8.597 -12.386   0.988
  422   1HB   PRO  59          1HB       PRO  59  -6.711 -12.628   2.933
  423   2HB   PRO  59          2HB       PRO  59  -6.257 -12.388   1.222
  424   1HG   PRO  59          1HG       PRO  59  -6.496 -10.268   3.381
  425   2HG   PRO  59          2HG       PRO  59  -5.110 -10.566   2.289
  426   1HD   PRO  59          1HD       PRO  59  -6.989  -8.673   1.728
  427   2HD   PRO  59          2HD       PRO  59  -6.278  -9.671   0.423
  428    H    THR  60           H        THR  60  -8.972 -13.609   3.099
  429    HA   THR  60           HA       THR  60 -11.070 -12.249   4.652
  430    HB   THR  60           HB       THR  60 -11.161 -14.718   5.506
  431    HG1  THR  60           HG1      THR  60 -10.072 -15.880   3.478
  432   1HG2  THR  60          1HG2      THR  60 -12.742 -13.808   3.822
  433   2HG2  THR  60          2HG2      THR  60 -11.587 -14.165   2.525
  434   3HG2  THR  60          3HG2      THR  60 -12.319 -15.488   3.460
  435    H    LYS  61           H        LYS  61  -8.059 -14.047   5.028
  436    HA   LYS  61           HA       LYS  61  -7.498 -12.739   7.664
  437   1HB   LYS  61          1HB       LYS  61  -6.283 -15.229   6.399
  438   2HB   LYS  61          2HB       LYS  61  -5.864 -14.554   7.983
  439   1HG   LYS  61          1HG       LYS  61  -8.600 -15.644   7.143
  440   2HG   LYS  61          2HG       LYS  61  -7.371 -16.518   8.057
  441   1HD   LYS  61          1HD       LYS  61  -7.503 -14.797   9.865
  442   2HD   LYS  61          2HD       LYS  61  -8.826 -13.998   8.982
  443   1HE   LYS  61          1HE       LYS  61 -10.196 -16.051   9.112
  444   2HE   LYS  61          2HE       LYS  61  -8.882 -16.906   9.935
  445   1HZ   LYS  61          1HZ       LYS  61 -10.316 -14.564  11.003
  446   2HZ   LYS  61          2HZ       LYS  61 -10.533 -16.126  11.466
  447   3HZ   LYS  61          3HZ       LYS  61  -9.103 -15.378  11.766
  448    H    CYS  62           H        CYS  62  -5.008 -14.012   5.545
  449    HA   CYS  62           HA       CYS  62  -3.887 -11.296   5.232
  450   1HB   CYS  62          1HB       CYS  62  -2.256 -13.659   6.174
  451   2HB   CYS  62          2HB       CYS  62  -1.824 -11.938   6.214
  452    H    GLY  63           H        GLY  63  -1.291 -12.526   4.319
  453   1HA   GLY  63          1HA       GLY  63  -0.371 -13.695   2.586
  454   2HA   GLY  63          2HA       GLY  63  -1.965 -14.320   2.148
  455    H    GLY  64           H        GLY  64  -3.220 -11.753   1.812
  456   1HA   GLY  64          1HA       GLY  64  -3.057 -11.182  -0.819
  457   2HA   GLY  64          2HA       GLY  64  -3.463  -9.957   0.395
  458    H    CYS  65           H        CYS  65  -0.835  -9.838   1.598
  459    HA   CYS  65           HA       CYS  65   0.554  -8.188  -0.494
  460   1HB   CYS  65          1HB       CYS  65   0.018  -7.383   2.350
  461   2HB   CYS  65          2HB       CYS  65   0.595  -6.358   1.028
  462    H    HIS  66           H        HIS  66   0.843  -9.391   2.883
  463    HA   HIS  66           HA       HIS  66   3.754  -9.643   2.866
  464   1HB   HIS  66          1HB       HIS  66   1.613 -11.152   4.427
  465   2HB   HIS  66          2HB       HIS  66   3.326 -11.156   4.775
  466    HD1  HIS  66           HND      HIS  66   4.324  -8.619   5.666
  467    HD2  HIS  66           HD       HIS  66   0.135  -9.222   5.487
  468    HE1  HIS  66           HE       HIS  66   3.223  -6.814   7.027
  469    H    ILE  67           H        ILE  67   4.892 -11.280   1.794
  470    HA   ILE  67           HA       ILE  67   3.391 -13.590   0.707
  471    HB   ILE  67           HB       ILE  67   6.374 -12.991   0.618
  472   1HG1  ILE  67          1HG1      ILE  67   5.651 -12.599  -1.904
  473   2HG1  ILE  67          2HG1      ILE  67   4.067 -12.232  -1.227
  474   1HG2  ILE  67          1HG2      ILE  67   6.360 -14.617  -1.215
  475   2HG2  ILE  67          2HG2      ILE  67   5.727 -15.400   0.232
  476   3HG2  ILE  67          3HG2      ILE  67   4.609 -14.850  -1.032
  477   1HD1  ILE  67          1HD1      ILE  67   6.685 -10.839  -0.484
  478   2HD1  ILE  67          2HD1      ILE  67   5.544 -10.263  -1.711
  479   3HD1  ILE  67          3HD1      ILE  67   5.047 -10.310  -0.024
  480    H    LYS  68           H        LYS  68   2.691 -13.632   3.193
  481    HA   LYS  68           HA       LYS  68   3.519 -15.900   4.505
  482   1HB   LYS  68          1HB       LYS  68   5.389 -13.683   4.972
  483   2HB   LYS  68          2HB       LYS  68   4.445 -13.925   6.400
  484   1HG   LYS  68          1HG       LYS  68   6.062 -15.315   6.944
  485   2HG   LYS  68          2HG       LYS  68   5.028 -16.485   6.141
  486   1HD   LYS  68          1HD       LYS  68   6.421 -16.493   4.179
  487   2HD   LYS  68          2HD       LYS  68   7.187 -14.961   4.627
  488   1HE   LYS  68          1HE       LYS  68   8.210 -16.084   6.639
  489   2HE   LYS  68          2HE       LYS  68   7.604 -17.634   6.024
  490   1HZ   LYS  68          1HZ       LYS  68   8.928 -17.232   4.032
  491   2HZ   LYS  68          2HZ       LYS  68   9.472 -15.808   4.650
  492   3HZ   LYS  68          3HZ       LYS  68   9.876 -17.224   5.380
  493    HHA  HEC  69           HCM      HEC  69   8.486   6.960  -1.866
  494    HHB  HEC  69           HDM      HEC  69   6.901  10.830  -6.648
  495    HHC  HEC  69           HAM      HEC  69   1.601   7.290  -7.515
  496    HHD  HEC  69           HBM      HEC  69   2.520   4.869  -1.691
  497   1HMA  HEC  69          HM81      HEC  69  10.166  11.049  -4.743
  498   2HMA  HEC  69          HM82      HEC  69   9.516  10.648  -6.343
  499   3HMA  HEC  69          HM83      HEC  69   8.677  11.825  -5.300
  500   1HAA  HEC  69          HP71      HEC  69  10.324   9.918  -2.660
  501   2HAA  HEC  69          HP72      HEC  69  10.134   8.233  -2.190
  502   1HBA  HEC  69          HP73      HEC  69  11.226   7.458  -4.191
  503   2HBA  HEC  69          HP74      HEC  69  11.468   9.126  -4.735
  504   1HMB  HEC  69          HM11      HEC  69   5.186  10.575  -9.867
  505   2HMB  HEC  69          HM12      HEC  69   4.571  11.852  -8.785
  506   3HMB  HEC  69          HM13      HEC  69   6.229  11.245  -8.631
  507    HAB  HEC  69          HT2A      HEC  69   1.553   8.911  -8.880
  508   1HBB  HEC  69          HT21      HEC  69   1.594  10.142 -10.834
  509   2HBB  HEC  69          HT22      HEC  69   3.019  11.067 -10.377
  510   3HBB  HEC  69          HT23      HEC  69   3.166   9.338 -10.799
  511   1HMC  HEC  69          HM31      HEC  69   0.061   5.042  -6.967
  512   2HMC  HEC  69          HM32      HEC  69  -1.017   5.356  -5.602
  513   3HMC  HEC  69          HM33      HEC  69  -0.449   6.708  -6.573
  514    HAC  HEC  69          HT4A      HEC  69   0.582   4.434  -2.187
  515   1HBC  HEC  69          HT41      HEC  69  -0.798   3.340  -4.618
  516   2HBC  HEC  69          HT42      HEC  69   0.714   2.665  -3.979
  517   3HBC  HEC  69          HT43      HEC  69  -0.756   2.686  -2.985
  518   1HMD  HEC  69          HM51      HEC  69   4.889   4.257   1.052
  519   2HMD  HEC  69          HM52      HEC  69   3.389   4.915   0.454
  520   3HMD  HEC  69          HM53      HEC  69   4.061   3.479  -0.317
  521   1HAD  HEC  69          HP61      HEC  69   8.257   4.796  -0.780
  522   2HAD  HEC  69          HP62      HEC  69   8.017   6.191   0.261
  523   1HBD  HEC  69          HP63      HEC  69   6.791   4.855   1.858
  524   2HBD  HEC  69          HP64      HEC  69   6.890   3.454   0.743
  525    HHA  HEC  70           HCM      HEC  70  -3.726  -4.810  -7.175
  526    HHB  HEC  70           HDM      HEC  70   0.081  -4.510  -2.013
  527    HHC  HEC  70           HAM      HEC  70  -2.194   1.340  -0.769
  528    HHD  HEC  70           HBM      HEC  70  -6.554   0.619  -5.338
  529   1HMA  HEC  70          HM81      HEC  70  -0.331  -6.827  -2.695
  530   2HMA  HEC  70          HM82      HEC  70  -0.308  -7.575  -4.289
  531   3HMA  HEC  70          HM83      HEC  70   0.887  -6.319  -3.893
  532   1HAA  HEC  70          HP71      HEC  70  -2.149  -6.393  -7.365
  533   2HAA  HEC  70          HP72      HEC  70  -1.008  -7.297  -6.403
  534   1HBA  HEC  70          HP73      HEC  70  -2.837  -8.154  -4.982
  535   2HBA  HEC  70          HP74      HEC  70  -4.005  -7.206  -5.914
  536   1HMB  HEC  70          HM11      HEC  70   1.375  -2.313   0.698
  537   2HMB  HEC  70          HM12      HEC  70   0.310  -3.722   0.559
  538   3HMB  HEC  70          HM13      HEC  70   1.552  -3.414  -0.668
  539    HAB  HEC  70          HT2A      HEC  70  -0.791   0.929   0.664
  540   1HBB  HEC  70          HT21      HEC  70   1.583   1.096   1.301
  541   2HBB  HEC  70          HT22      HEC  70   1.952  -0.251   0.214
  542   3HBB  HEC  70          HT23      HEC  70   1.283   1.237  -0.435
  543   1HMC  HEC  70          HM31      HEC  70  -2.957   3.408  -1.382
  544   2HMC  HEC  70          HM32      HEC  70  -4.451   4.099  -1.995
  545   3HMC  HEC  70          HM33      HEC  70  -4.500   3.081  -0.556
  546    HAC  HEC  70          HT4A      HEC  70  -7.326   1.998  -3.861
  547   1HBC  HEC  70          HT41      HEC  70  -5.613   4.491  -3.841
  548   2HBC  HEC  70          HT42      HEC  70  -6.351   3.634  -5.220
  549   3HBC  HEC  70          HT43      HEC  70  -7.374   4.475  -4.053
  550   1HMD  HEC  70          HM51      HEC  70  -7.709  -1.471  -8.238
  551   2HMD  HEC  70          HM52      HEC  70  -8.034  -0.634  -6.707
  552   3HMD  HEC  70          HM53      HEC  70  -6.910   0.069  -7.890
  553   1HAD  HEC  70          HP61      HEC  70  -5.369  -4.416  -8.575
  554   2HAD  HEC  70          HP62      HEC  70  -6.899  -3.574  -8.562
  555   1HBD  HEC  70          HP63      HEC  70  -5.680  -1.596  -9.667
  556   2HBD  HEC  70          HP64      HEC  70  -4.303  -2.684  -9.858
  557    HHA  HEC  71           HCM      HEC  71   3.529  -4.004   8.580
  558    HHB  HEC  71           HDM      HEC  71   0.425  -9.016  11.085
  559    HHC  HEC  71           HAM      HEC  71  -3.192  -9.387   5.825
  560    HHD  HEC  71           HBM      HEC  71  -0.119  -4.434   3.359
  561   1HMA  HEC  71          HM81      HEC  71   2.817  -8.664  12.154
  562   2HMA  HEC  71          HM82      HEC  71   3.151  -7.072  12.861
  563   3HMA  HEC  71          HM83      HEC  71   1.494  -7.686  12.840
  564   1HAA  HEC  71          HP71      HEC  71   4.790  -4.878  10.158
  565   2HAA  HEC  71          HP72      HEC  71   4.347  -5.260  11.823
  566   1HBA  HEC  71          HP73      HEC  71   4.920  -7.645  11.402
  567   2HBA  HEC  71          HP74      HEC  71   5.287  -7.240   9.728
  568   1HMB  HEC  71          HM11      HEC  71  -0.446 -11.167  10.841
  569   2HMB  HEC  71          HM12      HEC  71  -1.913 -10.401  11.491
  570   3HMB  HEC  71          HM13      HEC  71  -2.030 -11.792  10.396
  571    HAB  HEC  71          HT2A      HEC  71  -4.150 -10.558   7.335
  572   1HBB  HEC  71          HT21      HEC  71  -4.863  -9.596   9.481
  573   2HBB  HEC  71          HT22      HEC  71  -5.512 -11.208   9.154
  574   3HBB  HEC  71          HT23      HEC  71  -4.197 -11.011  10.320
  575   1HMC  HEC  71          HM31      HEC  71  -4.552  -8.318   3.847
  576   2HMC  HEC  71          HM32      HEC  71  -3.649  -8.184   2.324
  577   3HMC  HEC  71          HM33      HEC  71  -3.220  -9.440   3.483
  578    HAC  HEC  71          HT4A      HEC  71  -1.670  -4.808   2.067
  579   1HBC  HEC  71          HT41      HEC  71  -4.420  -6.055   2.097
  580   2HBC  HEC  71          HT42      HEC  71  -3.939  -4.422   2.615
  581   3HBC  HEC  71          HT43      HEC  71  -3.793  -4.887   0.921
  582   1HMD  HEC  71          HM51      HEC  71   1.520  -1.609   4.092
  583   2HMD  HEC  71          HM52      HEC  71   2.935  -2.503   3.533
  584   3HMD  HEC  71          HM53      HEC  71   1.332  -2.946   2.949
  585   1HAD  HEC  71          HP61      HEC  71   3.313  -1.459   5.712
  586   2HAD  HEC  71          HP62      HEC  71   3.464  -2.008   7.371
  587   1HBD  HEC  71          HP63      HEC  71   5.000  -3.457   5.272
  588   2HBD  HEC  71          HP64      HEC  71   5.445  -1.768   5.530
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1   7.273   5.430  -7.147
    2   2H    ALA   1          2H        ALA   1   7.730   6.853  -7.852
    3   3H    ALA   1          3H        ALA   1   6.811   5.732  -8.679
    4    HA   ALA   1           HA       ALA   1   9.156   5.825  -9.372
    5   1HB   ALA   1          1HB       ALA   1  10.073   5.849  -7.027
    6   2HB   ALA   1          2HB       ALA   1   9.447   4.201  -6.800
    7   3HB   ALA   1          3HB       ALA   1  10.709   4.519  -8.005
    8    H    ASP   2           H        ASP   2  10.086   3.281  -9.641
    9    HA   ASP   2           HA       ASP   2   7.822   1.841 -10.733
   10   1HB   ASP   2          1HB       ASP   2  10.777   1.950 -11.523
   11   2HB   ASP   2          2HB       ASP   2   9.488   1.178 -12.447
   12    H    VAL   3           H        VAL   3   7.683   1.046  -8.524
   13    HA   VAL   3           HA       VAL   3   7.278  -0.808  -7.405
   14    HB   VAL   3           HB       VAL   3   8.835  -2.395  -9.476
   15   1HG1  VAL   3          1HG1      VAL   3   8.484  -3.643  -7.364
   16   2HG1  VAL   3          2HG1      VAL   3   6.745  -3.283  -7.447
   17   3HG1  VAL   3          3HG1      VAL   3   7.506  -4.291  -8.686
   18   1HG2  VAL   3          1HG2      VAL   3   6.969  -1.176 -10.549
   19   2HG2  VAL   3          2HG2      VAL   3   6.554  -2.883 -10.388
   20   3HG2  VAL   3          3HG2      VAL   3   5.863  -1.702  -9.260
   21    H    VAL   4           H        VAL   4   8.149  -1.703  -5.513
   22    HA   VAL   4           HA       VAL   4  10.968  -2.082  -5.189
   23    HB   VAL   4           HB       VAL   4  10.765   0.439  -5.045
   24   1HG1  VAL   4          1HG1      VAL   4   9.119  -0.153  -2.535
   25   2HG1  VAL   4          2HG1      VAL   4   9.780   1.427  -2.994
   26   3HG1  VAL   4          3HG1      VAL   4   8.561   0.669  -4.022
   27   1HG2  VAL   4          1HG2      VAL   4  12.517  -0.956  -3.756
   28   2HG2  VAL   4          2HG2      VAL   4  12.243   0.729  -3.277
   29   3HG2  VAL   4          3HG2      VAL   4  11.555  -0.570  -2.306
   30    H    THR   5           H        THR   5  11.210  -2.438  -2.547
   31    HA   THR   5           HA       THR   5   8.679  -2.926  -1.270
   32    HB   THR   5           HB       THR   5   9.149  -5.171  -2.359
   33    HG1  THR   5           HG1      THR   5   8.609  -4.920  -0.083
   34   1HG2  THR   5          1HG2      THR   5  11.559  -4.998  -2.815
   35   2HG2  THR   5          2HG2      THR   5  11.902  -5.087  -1.070
   36   3HG2  THR   5          3HG2      THR   5  11.179  -6.469  -1.908
   37    H    TYR   6           H        TYR   6   8.746  -3.131   0.838
   38    HA   TYR   6           HA       TYR   6  11.275  -2.249   2.161
   39   1HB   TYR   6          1HB       TYR   6   8.386  -1.707   2.849
   40   2HB   TYR   6          2HB       TYR   6   9.721  -1.535   3.980
   41    HD1  TYR   6           HD1      TYR   6   9.668   0.799   4.399
   42    HD2  TYR   6           HD2      TYR   6   9.518  -0.494   0.295
   43    HE1  TYR   6           HE1      TYR   6  10.054   3.098   3.611
   44    HE2  TYR   6           HE2      TYR   6   9.869   1.716  -0.459
   45    HH   TYR   6           HH       TYR   6  10.690   3.897   0.166
   46    H    GLU   7           H        GLU   7  12.219  -4.125   2.703
   47    HA   GLU   7           HA       GLU   7  10.921  -6.476   3.516
   48   1HB   GLU   7          1HB       GLU   7  13.083  -7.133   4.512
   49   2HB   GLU   7          2HB       GLU   7  13.185  -6.627   2.824
   50   1HG   GLU   7          1HG       GLU   7  14.198  -4.510   3.428
   51   2HG   GLU   7          2HG       GLU   7  13.866  -4.770   5.147
   52    H    ASN   8           H        ASN   8  10.142  -7.248   5.418
   53    HA   ASN   8           HA       ASN   8  10.447  -6.042   7.975
   54   1HB   ASN   8          1HB       ASN   8   7.570  -6.173   7.147
   55   2HB   ASN   8          2HB       ASN   8   8.318  -5.206   8.412
   56   1HD2  ASN   8          1HD2      ASN   8   6.646  -4.857   5.722
   57   2HD2  ASN   8          2HD2      ASN   8   7.540  -3.697   4.731
   58    H    LYS   9           H        LYS   9   8.728  -7.501   9.445
   59    HA   LYS   9           HA       LYS   9  10.259  -9.876   8.937
   60   1HB   LYS   9          1HB       LYS   9   9.510  -8.469  11.174
   61   2HB   LYS   9          2HB       LYS   9   8.353  -9.777  11.239
   62   1HG   LYS   9          1HG       LYS   9  10.199 -10.509  12.537
   63   2HG   LYS   9          2HG       LYS   9  10.312 -11.396  11.016
   64   1HD   LYS   9          1HD       LYS   9  12.523 -10.696  11.514
   65   2HD   LYS   9          2HD       LYS   9  11.985  -9.608  10.233
   66   1HE   LYS   9          1HE       LYS   9  11.367  -7.931  12.129
   67   2HE   LYS   9          2HE       LYS   9  12.212  -9.028  13.225
   68   1HZ   LYS   9          1HZ       LYS   9  14.193  -8.682  11.864
   69   2HZ   LYS   9          2HZ       LYS   9  13.363  -7.653  10.881
   70   3HZ   LYS   9          3HZ       LYS   9  13.613  -7.261  12.454
   71    H    LYS  10           H        LYS  10   7.043  -9.196   8.102
   72    HA   LYS  10           HA       LYS  10   5.934 -11.870   8.596
   73   1HB   LYS  10          1HB       LYS  10   4.907  -9.697   6.738
   74   2HB   LYS  10          2HB       LYS  10   3.985 -11.063   7.368
   75   1HG   LYS  10          1HG       LYS  10   5.216  -8.809   8.963
   76   2HG   LYS  10          2HG       LYS  10   3.543  -8.864   8.429
   77   1HD   LYS  10          1HD       LYS  10   3.213  -9.647  10.558
   78   2HD   LYS  10          2HD       LYS  10   3.397 -11.143   9.679
   79   1HE   LYS  10          1HE       LYS  10   4.772 -11.689  11.380
   80   2HE   LYS  10          2HE       LYS  10   6.005 -10.774  10.510
   81   1HZ   LYS  10          1HZ       LYS  10   5.914 -10.179  12.803
   82   2HZ   LYS  10          2HZ       LYS  10   5.549  -8.887  11.938
   83   3HZ   LYS  10          3HZ       LYS  10   4.348  -9.704  12.696
   84    H    GLY  11           H        GLY  11   6.855 -10.018   5.751
   85   1HA   GLY  11          1HA       GLY  11   8.279 -11.971   4.329
   86   2HA   GLY  11          2HA       GLY  11   6.581 -12.093   3.805
   87    H    ASN  12           H        ASN  12   8.513  -9.258   4.891
   88    HA   ASN  12           HA       ASN  12   8.843  -7.211   3.954
   89   1HB   ASN  12          1HB       ASN  12   8.532  -8.481   1.210
   90   2HB   ASN  12          2HB       ASN  12   9.385  -7.006   1.636
   91   1HD2  ASN  12          1HD2      ASN  12  10.427  -8.918   4.106
   92   2HD2  ASN  12          2HD2      ASN  12  11.843  -9.566   3.297
   93    H    VAL  13           H        VAL  13   7.868  -5.668   2.120
   94    HA   VAL  13           HA       VAL  13   4.940  -6.119   1.743
   95    HB   VAL  13           HB       VAL  13   6.408  -3.715   2.865
   96   1HG1  VAL  13          1HG1      VAL  13   5.110  -2.839   0.924
   97   2HG1  VAL  13          2HG1      VAL  13   3.654  -3.596   1.574
   98   3HG1  VAL  13          3HG1      VAL  13   4.511  -2.292   2.455
   99   1HG2  VAL  13          1HG2      VAL  13   4.599  -3.788   4.477
  100   2HG2  VAL  13          2HG2      VAL  13   3.747  -5.054   3.569
  101   3HG2  VAL  13          3HG2      VAL  13   5.290  -5.398   4.369
  102    H    THR  14           H        THR  14   4.829  -6.413  -0.461
  103    HA   THR  14           HA       THR  14   6.818  -5.123  -2.189
  104    HB   THR  14           HB       THR  14   5.921  -7.393  -2.620
  105    HG1  THR  14           HG1      THR  14   5.652  -6.841  -4.927
  106   1HG2  THR  14          1HG2      THR  14   3.808  -7.684  -3.772
  107   2HG2  THR  14          2HG2      THR  14   3.478  -6.903  -2.217
  108   3HG2  THR  14          3HG2      THR  14   3.476  -5.949  -3.722
  109    H    PHE  15           H        PHE  15   6.673  -3.139  -3.109
  110    HA   PHE  15           HA       PHE  15   4.149  -1.568  -2.922
  111   1HB   PHE  15          1HB       PHE  15   7.018  -0.873  -3.601
  112   2HB   PHE  15          2HB       PHE  15   5.670   0.224  -3.831
  113    HD1  PHE  15           HD1      PHE  15   6.168  -1.989  -0.831
  114    HD2  PHE  15           HD2      PHE  15   6.503   1.975  -2.514
  115    HE1  PHE  15           HE1      PHE  15   6.662  -1.092   1.394
  116    HE2  PHE  15           HE2      PHE  15   7.289   2.787  -0.324
  117    HZ   PHE  15           HZ       PHE  15   7.348   1.241   1.614
  118    H    ASP  16           H        ASP  16   2.937  -2.380  -4.652
  119    HA   ASP  16           HA       ASP  16   3.857  -2.393  -7.397
  120   1HB   ASP  16          1HB       ASP  16   1.210  -2.329  -5.919
  121   2HB   ASP  16          2HB       ASP  16   1.258  -2.056  -7.656
  122    H    HIS  17           H        HIS  17   5.203  -0.337  -6.836
  123    HA   HIS  17           HA       HIS  17   3.904   2.090  -6.305
  124   1HB   HIS  17          1HB       HIS  17   6.534   1.278  -6.361
  125   2HB   HIS  17          2HB       HIS  17   6.504   2.256  -7.775
  126    HD1  HIS  17           HND      HIS  17   8.038   2.985  -5.012
  127    HD2  HIS  17           HD       HIS  17   4.367   4.494  -6.409
  128    HE1  HIS  17           HE       HIS  17   7.648   5.205  -3.826
  129    H    LYS  18           H        LYS  18   5.626   1.471  -9.405
  130    HA   LYS  18           HA       LYS  18   4.319   3.473 -10.885
  131   1HB   LYS  18          1HB       LYS  18   6.291   2.743 -11.773
  132   2HB   LYS  18          2HB       LYS  18   5.892   0.997 -11.629
  133   1HG   LYS  18          1HG       LYS  18   4.318   1.225 -13.465
  134   2HG   LYS  18          2HG       LYS  18   4.580   2.992 -13.455
  135   1HD   LYS  18          1HD       LYS  18   6.880   2.722 -14.109
  136   2HD   LYS  18          2HD       LYS  18   6.799   0.964 -13.994
  137   1HE   LYS  18          1HE       LYS  18   5.348   2.775 -15.998
  138   2HE   LYS  18          2HE       LYS  18   6.740   1.733 -16.333
  139   1HZ   LYS  18          1HZ       LYS  18   4.008   0.854 -15.619
  140   2HZ   LYS  18          2HZ       LYS  18   4.732   0.682 -17.053
  141   3HZ   LYS  18          3HZ       LYS  18   5.287  -0.170 -15.757
  142    H    ALA  19           H        ALA  19   3.739  -0.004 -10.696
  143    HA   ALA  19           HA       ALA  19   1.469  -0.509 -12.133
  144   1HB   ALA  19          1HB       ALA  19   2.514  -2.208 -10.829
  145   2HB   ALA  19          2HB       ALA  19   2.256  -1.266  -9.352
  146   3HB   ALA  19          3HB       ALA  19   0.865  -2.028 -10.169
  147    H    HIS  20           H        HIS  20   1.217   0.686  -8.653
  148    HA   HIS  20           HA       HIS  20  -1.602   1.213  -9.014
  149   1HB   HIS  20          1HB       HIS  20   0.378   2.013  -6.861
  150   2HB   HIS  20          2HB       HIS  20  -1.304   2.518  -6.869
  151    HD1  HIS  20           HND      HIS  20  -0.440  -1.023  -7.934
  152    HD2  HIS  20           HD       HIS  20  -2.057   1.090  -4.695
  153    HE1  HIS  20           HE       HIS  20  -1.463  -2.757  -6.346
  154    H    ALA  21           H        ALA  21   1.352   3.079  -9.601
  155    HA   ALA  21           HA       ALA  21   0.013   5.613  -9.799
  156   1HB   ALA  21          1HB       ALA  21   2.517   4.848 -11.317
  157   2HB   ALA  21          2HB       ALA  21   1.967   6.455 -10.837
  158   3HB   ALA  21          3HB       ALA  21   2.487   5.290  -9.596
  159    H    GLU  22           H        GLU  22   0.497   3.020 -12.168
  160    HA   GLU  22           HA       GLU  22  -0.604   4.644 -14.376
  161   1HB   GLU  22          1HB       GLU  22  -0.163   2.756 -15.814
  162   2HB   GLU  22          2HB       GLU  22   1.270   3.183 -14.869
  163   1HG   GLU  22          1HG       GLU  22   0.813   1.309 -13.335
  164   2HG   GLU  22          2HG       GLU  22  -0.622   0.875 -14.281
  165    H    LYS  23           H        LYS  23  -1.579   1.829 -12.393
  166    HA   LYS  23           HA       LYS  23  -4.124   1.504 -13.697
  167   1HB   LYS  23          1HB       LYS  23  -3.151   0.581 -10.964
  168   2HB   LYS  23          2HB       LYS  23  -4.596  -0.001 -11.788
  169   1HG   LYS  23          1HG       LYS  23  -1.730  -0.376 -12.807
  170   2HG   LYS  23          2HG       LYS  23  -2.700  -1.561 -11.945
  171   1HD   LYS  23          1HD       LYS  23  -4.367  -1.499 -13.742
  172   2HD   LYS  23          2HD       LYS  23  -3.401  -0.357 -14.676
  173   1HE   LYS  23          1HE       LYS  23  -2.189  -3.009 -13.776
  174   2HE   LYS  23          2HE       LYS  23  -3.263  -2.946 -15.175
  175   1HZ   LYS  23          1HZ       LYS  23  -0.988  -2.740 -15.846
  176   2HZ   LYS  23          2HZ       LYS  23  -1.784  -1.364 -16.211
  177   3HZ   LYS  23          3HZ       LYS  23  -0.713  -1.399 -15.000
  178    H    LEU  24           H        LEU  24  -3.071   3.306 -10.769
  179    HA   LEU  24           HA       LEU  24  -5.869   4.251 -10.392
  180   1HB   LEU  24          1HB       LEU  24  -3.631   4.792  -8.457
  181   2HB   LEU  24          2HB       LEU  24  -5.370   4.774  -8.213
  182    HG   LEU  24           HG       LEU  24  -3.649   2.294  -8.719
  183   1HD1  LEU  24          1HD1      LEU  24  -4.918   3.324  -6.174
  184   2HD1  LEU  24          2HD1      LEU  24  -3.937   1.858  -6.343
  185   3HD1  LEU  24          3HD1      LEU  24  -3.210   3.470  -6.548
  186   1HD2  LEU  24          1HD2      LEU  24  -5.625   1.058  -7.964
  187   2HD2  LEU  24          2HD2      LEU  24  -6.559   2.571  -7.884
  188   3HD2  LEU  24          3HD2      LEU  24  -5.976   1.958  -9.452
  189    H    GLY  25           H        GLY  25  -2.513   5.700 -10.138
  190   1HA   GLY  25          1HA       GLY  25  -2.596   7.678 -11.958
  191   2HA   GLY  25          2HA       GLY  25  -3.654   8.347 -10.710
  192    H    CYS  26           H        CYS  26  -2.847   8.619  -8.583
  193    HA   CYS  26           HA       CYS  26  -0.175   8.267  -7.689
  194   1HB   CYS  26          1HB       CYS  26   0.066  10.114  -9.681
  195   2HB   CYS  26          2HB       CYS  26  -0.506  11.178  -8.423
  196    H    ASP  27           H        ASP  27  -2.762  10.448  -7.942
  197    HA   ASP  27           HA       ASP  27  -3.275  11.842  -5.603
  198   1HB   ASP  27          1HB       ASP  27  -5.609  11.606  -6.428
  199   2HB   ASP  27          2HB       ASP  27  -4.498  12.070  -7.718
  200    H    ALA  28           H        ALA  28  -4.037   8.583  -6.580
  201    HA   ALA  28           HA       ALA  28  -5.529   7.430  -4.678
  202   1HB   ALA  28          1HB       ALA  28  -4.619   6.266  -6.604
  203   2HB   ALA  28          2HB       ALA  28  -2.977   6.324  -5.928
  204   3HB   ALA  28          3HB       ALA  28  -4.222   5.337  -5.138
  205    H    CYS  29           H        CYS  29  -2.085   8.171  -4.292
  206    HA   CYS  29           HA       CYS  29  -2.232   7.428  -1.378
  207   1HB   CYS  29          1HB       CYS  29   0.121   7.064  -3.221
  208   2HB   CYS  29          2HB       CYS  29  -0.038   6.541  -1.530
  209    H    HIS  30           H        HIS  30  -0.795   9.589  -3.861
  210    HA   HIS  30           HA       HIS  30   0.450  11.245  -1.678
  211   1HB   HIS  30          1HB       HIS  30   1.231  10.833  -4.561
  212   2HB   HIS  30          2HB       HIS  30   1.966  11.978  -3.477
  213    HD1  HIS  30           HND      HIS  30   3.484  10.647  -1.308
  214    HD2  HIS  30           HD       HIS  30   2.385   8.636  -4.838
  215    HE1  HIS  30           HE       HIS  30   5.082   8.698  -1.617
  216    H    GLU  31           H        GLU  31  -0.838  13.014  -1.391
  217    HA   GLU  31           HA       GLU  31  -2.342  14.205  -3.631
  218   1HB   GLU  31          1HB       GLU  31  -1.996  15.107  -0.732
  219   2HB   GLU  31          2HB       GLU  31  -3.076  15.842  -1.947
  220   1HG   GLU  31          1HG       GLU  31  -4.250  13.688  -2.169
  221   2HG   GLU  31          2HG       GLU  31  -3.269  13.047  -0.832
  222    H    GLY  32           H        GLY  32  -1.256  16.667  -1.770
  223   1HA   GLY  32          1HA       GLY  32  -0.276  18.177  -3.809
  224   2HA   GLY  32          2HA       GLY  32   0.135  18.469  -2.114
  225    H    THR  33           H        THR  33   1.797  16.326  -1.519
  226    HA   THR  33           HA       THR  33   4.086  16.573  -3.391
  227    HB   THR  33           HB       THR  33   4.252  17.041  -0.385
  228    HG1  THR  33           HG1      THR  33   4.477  19.230  -0.949
  229   1HG2  THR  33          1HG2      THR  33   6.231  17.612  -2.645
  230   2HG2  THR  33          2HG2      THR  33   6.497  17.912  -0.916
  231   3HG2  THR  33          3HG2      THR  33   6.348  16.250  -1.510
  232    HA   PRO  34           HA       PRO  34   3.751  12.341  -2.350
  233   1HB   PRO  34          1HB       PRO  34   5.961  11.175  -3.469
  234   2HB   PRO  34          2HB       PRO  34   4.545  11.766  -4.381
  235   1HG   PRO  34          1HG       PRO  34   7.132  13.207  -3.843
  236   2HG   PRO  34          2HG       PRO  34   6.256  13.053  -5.398
  237   1HD   PRO  34          1HD       PRO  34   6.039  15.296  -3.859
  238   2HD   PRO  34          2HD       PRO  34   4.620  14.639  -4.728
  239    H    ALA  35           H        ALA  35   6.967  13.588  -1.782
  240    HA   ALA  35           HA       ALA  35   8.649  12.997  -0.314
  241   1HB   ALA  35          1HB       ALA  35   7.642  15.187   0.070
  242   2HB   ALA  35          2HB       ALA  35   6.517  14.477   1.252
  243   3HB   ALA  35          3HB       ALA  35   8.266  14.507   1.573
  244    H    LYS  36           H        LYS  36   7.163  10.557  -0.270
  245    HA   LYS  36           HA       LYS  36   7.179   8.623   0.844
  246   1HB   LYS  36          1HB       LYS  36   8.478   9.938   3.275
  247   2HB   LYS  36          2HB       LYS  36   8.225   8.224   2.982
  248   1HG   LYS  36          1HG       LYS  36   9.619   8.540   0.827
  249   2HG   LYS  36          2HG       LYS  36  10.009  10.140   1.447
  250   1HD   LYS  36          1HD       LYS  36  11.815   8.645   2.009
  251   2HD   LYS  36          2HD       LYS  36  10.945   8.962   3.522
  252   1HE   LYS  36          1HE       LYS  36  10.422   6.724   3.744
  253   2HE   LYS  36          2HE       LYS  36   9.682   6.740   2.137
  254   1HZ   LYS  36          1HZ       LYS  36  11.790   6.382   1.145
  255   2HZ   LYS  36          2HZ       LYS  36  12.475   6.120   2.632
  256   3HZ   LYS  36          3HZ       LYS  36  11.237   5.162   2.054
  257    H    ILE  37           H        ILE  37   5.700   7.526   2.061
  258    HA   ILE  37           HA       ILE  37   3.450   9.327   2.876
  259    HB   ILE  37           HB       ILE  37   3.336   6.318   2.689
  260   1HG1  ILE  37          1HG1      ILE  37   3.318   8.503   0.637
  261   2HG1  ILE  37          2HG1      ILE  37   4.104   6.923   0.640
  262   1HG2  ILE  37          1HG2      ILE  37   1.191   8.486   2.539
  263   2HG2  ILE  37          2HG2      ILE  37   0.921   6.730   2.438
  264   3HG2  ILE  37          3HG2      ILE  37   1.489   7.440   3.941
  265   1HD1  ILE  37          1HD1      ILE  37   2.258   7.055  -1.001
  266   2HD1  ILE  37          2HD1      ILE  37   1.821   5.890   0.281
  267   3HD1  ILE  37          3HD1      ILE  37   1.126   7.532   0.258
  268    H    ALA  38           H        ALA  38   5.300   6.719   4.179
  269    HA   ALA  38           HA       ALA  38   6.131   6.386   6.298
  270   1HB   ALA  38          1HB       ALA  38   5.430   8.588   7.004
  271   2HB   ALA  38          2HB       ALA  38   3.842   7.920   7.497
  272   3HB   ALA  38          3HB       ALA  38   5.335   7.332   8.272
  273    H    ILE  39           H        ILE  39   5.137   4.662   4.754
  274    HA   ILE  39           HA       ILE  39   2.911   3.128   5.874
  275    HB   ILE  39           HB       ILE  39   5.095   2.476   3.893
  276   1HG1  ILE  39          1HG1      ILE  39   3.561   4.196   3.146
  277   2HG1  ILE  39          2HG1      ILE  39   3.283   2.658   2.360
  278   1HG2  ILE  39          1HG2      ILE  39   2.692   0.824   4.718
  279   2HG2  ILE  39          2HG2      ILE  39   3.594   0.576   3.213
  280   3HG2  ILE  39          3HG2      ILE  39   4.402   0.343   4.760
  281   1HD1  ILE  39          1HD1      ILE  39   1.164   3.738   2.751
  282   2HD1  ILE  39          2HD1      ILE  39   1.247   2.292   3.766
  283   3HD1  ILE  39          3HD1      ILE  39   1.485   3.912   4.470
  284    H    ASP  40           H        ASP  40   3.365   3.297   7.877
  285    HA   ASP  40           HA       ASP  40   5.260   1.343   9.142
  286   1HB   ASP  40          1HB       ASP  40   5.145   3.421  10.359
  287   2HB   ASP  40          2HB       ASP  40   3.362   3.391  10.377
  288    H    LYS  41           H        LYS  41   4.208  -0.039  10.681
  289    HA   LYS  41           HA       LYS  41   2.154  -1.746   9.682
  290   1HB   LYS  41          1HB       LYS  41   2.021  -2.550  12.044
  291   2HB   LYS  41          2HB       LYS  41   3.550  -2.641  11.184
  292   1HG   LYS  41          1HG       LYS  41   4.258  -2.242  13.255
  293   2HG   LYS  41          2HG       LYS  41   4.370  -0.670  12.532
  294   1HD   LYS  41          1HD       LYS  41   2.044  -0.223  13.656
  295   2HD   LYS  41          2HD       LYS  41   2.348  -1.724  14.541
  296   1HE   LYS  41          1HE       LYS  41   4.467  -0.770  15.421
  297   2HE   LYS  41          2HE       LYS  41   4.275   0.664  14.399
  298   1HZ   LYS  41          1HZ       LYS  41   3.608   1.115  16.613
  299   2HZ   LYS  41          2HZ       LYS  41   2.325   1.238  15.591
  300   3HZ   LYS  41          3HZ       LYS  41   2.467  -0.076  16.588
  301    H    LYS  42           H        LYS  42   1.975   0.954  11.962
  302    HA   LYS  42           HA       LYS  42  -0.786   0.909  12.447
  303   1HB   LYS  42          1HB       LYS  42   0.957   2.249  13.646
  304   2HB   LYS  42          2HB       LYS  42   1.108   3.308  12.234
  305   1HG   LYS  42          1HG       LYS  42  -1.337   3.794  12.432
  306   2HG   LYS  42          2HG       LYS  42  -1.354   2.796  13.909
  307   1HD   LYS  42          1HD       LYS  42   0.337   4.331  14.931
  308   2HD   LYS  42          2HD       LYS  42   0.355   5.293  13.437
  309   1HE   LYS  42          1HE       LYS  42  -2.074   5.811  13.756
  310   2HE   LYS  42          2HE       LYS  42  -2.069   4.885  15.266
  311   1HZ   LYS  42          1HZ       LYS  42  -0.465   6.456  16.140
  312   2HZ   LYS  42          2HZ       LYS  42  -0.477   7.312  14.734
  313   3HZ   LYS  42          3HZ       LYS  42  -1.832   7.230  15.661
  314    H    SER  43           H        SER  43   0.848   3.262  10.192
  315    HA   SER  43           HA       SER  43  -1.362   4.236   8.986
  316   1HB   SER  43          1HB       SER  43   1.213   3.657   7.477
  317   2HB   SER  43          2HB       SER  43   0.137   5.052   7.326
  318    HG   SER  43           HG       SER  43   2.127   5.311   8.613
  319    H    ALA  44           H        ALA  44   0.616   1.569   7.691
  320    HA   ALA  44           HA       ALA  44  -0.753   0.770   5.430
  321   1HB   ALA  44          1HB       ALA  44   0.630  -0.941   7.545
  322   2HB   ALA  44          2HB       ALA  44   0.263  -1.389   5.869
  323   3HB   ALA  44          3HB       ALA  44   1.430  -0.072   6.233
  324    H    HIS  45           H        HIS  45  -1.238  -0.523   8.768
  325    HA   HIS  45           HA       HIS  45  -3.467  -2.107   7.759
  326   1HB   HIS  45          1HB       HIS  45  -2.041  -2.020  10.381
  327   2HB   HIS  45          2HB       HIS  45  -3.640  -2.706  10.252
  328    HD1  HIS  45           HND      HIS  45  -3.299  -5.179  10.364
  329    HD2  HIS  45           HD       HIS  45  -0.622  -3.276   7.734
  330    HE1  HIS  45           HE       HIS  45  -2.009  -6.999   9.206
  331    H    LYS  46           H        LYS  46  -3.171   1.092   8.920
  332    HA   LYS  46           HA       LYS  46  -5.890   1.176  10.077
  333   1HB   LYS  46          1HB       LYS  46  -3.987   2.040  11.288
  334   2HB   LYS  46          2HB       LYS  46  -3.580   3.163   9.992
  335   1HG   LYS  46          1HG       LYS  46  -6.204   3.274  11.537
  336   2HG   LYS  46          2HG       LYS  46  -4.698   4.034  12.084
  337   1HD   LYS  46          1HD       LYS  46  -4.621   5.162   9.743
  338   2HD   LYS  46          2HD       LYS  46  -6.331   4.680   9.651
  339   1HE   LYS  46          1HE       LYS  46  -6.786   5.958  11.739
  340   2HE   LYS  46          2HE       LYS  46  -5.079   6.451  11.808
  341   1HZ   LYS  46          1HZ       LYS  46  -6.481   8.144  10.787
  342   2HZ   LYS  46          2HZ       LYS  46  -5.417   7.554   9.668
  343   3HZ   LYS  46          3HZ       LYS  46  -6.967   7.072   9.640
  344    H    ASP  47           H        ASP  47  -4.039   3.297   7.828
  345    HA   ASP  47           HA       ASP  47  -6.349   3.584   6.044
  346   1HB   ASP  47          1HB       ASP  47  -5.329   5.946   7.650
  347   2HB   ASP  47          2HB       ASP  47  -6.025   6.117   6.047
  348    H    ALA  48           H        ALA  48  -4.640   2.215   5.071
  349    HA   ALA  48           HA       ALA  48  -3.619   3.920   3.038
  350   1HB   ALA  48          1HB       ALA  48  -1.202   3.063   3.141
  351   2HB   ALA  48          2HB       ALA  48  -1.649   4.322   4.294
  352   3HB   ALA  48          3HB       ALA  48  -1.529   2.657   4.846
  353    H    CYS  49           H        CYS  49  -2.013   0.881   3.721
  354    HA   CYS  49           HA       CYS  49  -2.938  -0.046   1.151
  355   1HB   CYS  49          1HB       CYS  49  -1.526  -1.726   3.173
  356   2HB   CYS  49          2HB       CYS  49  -1.531  -1.911   1.425
  357    H    LYS  50           H        LYS  50  -3.457  -1.347   4.514
  358    HA   LYS  50           HA       LYS  50  -5.430  -3.252   3.420
  359   1HB   LYS  50          1HB       LYS  50  -3.635  -3.688   5.232
  360   2HB   LYS  50          2HB       LYS  50  -4.708  -2.764   6.275
  361   1HG   LYS  50          1HG       LYS  50  -6.541  -4.556   5.455
  362   2HG   LYS  50          2HG       LYS  50  -5.101  -5.447   4.957
  363   1HD   LYS  50          1HD       LYS  50  -5.301  -6.267   7.096
  364   2HD   LYS  50          2HD       LYS  50  -4.244  -4.900   7.408
  365   1HE   LYS  50          1HE       LYS  50  -7.259  -5.143   7.851
  366   2HE   LYS  50          2HE       LYS  50  -6.017  -4.935   9.090
  367   1HZ   LYS  50          1HZ       LYS  50  -5.715  -2.662   8.362
  368   2HZ   LYS  50          2HZ       LYS  50  -6.712  -2.854   7.081
  369   3HZ   LYS  50          3HZ       LYS  50  -7.276  -2.907   8.622
  370    H    THR  51           H        THR  51  -6.287  -0.861   2.826
  371    HA   THR  51           HA       THR  51  -8.676  -0.274   4.471
  372    HB   THR  51           HB       THR  51  -6.850   1.898   3.360
  373    HG1  THR  51           HG1      THR  51  -6.852   1.429   6.093
  374   1HG2  THR  51          1HG2      THR  51  -8.941   2.029   5.570
  375   2HG2  THR  51          2HG2      THR  51  -8.131   3.376   4.747
  376   3HG2  THR  51          3HG2      THR  51  -9.287   2.386   3.865
  377    H    CYS  52           H        CYS  52  -6.780   0.664   1.512
  378    HA   CYS  52           HA       CYS  52  -9.038   1.121  -0.140
  379   1HB   CYS  52          1HB       CYS  52  -6.126   0.690  -0.504
  380   2HB   CYS  52          2HB       CYS  52  -7.139   0.153  -1.845
  381    H    HIS  53           H        HIS  53  -6.943  -1.819  -0.026
  382    HA   HIS  53           HA       HIS  53  -8.523  -3.170  -1.883
  383   1HB   HIS  53          1HB       HIS  53  -7.000  -4.759   0.161
  384   2HB   HIS  53          2HB       HIS  53  -7.305  -5.109  -1.534
  385    HD1  HIS  53           HND      HIS  53  -5.149  -2.803   0.689
  386    HD2  HIS  53           HD       HIS  53  -5.617  -3.796  -3.376
  387    HE1  HIS  53           HE       HIS  53  -3.249  -1.801  -0.538
  388    H    LYS  54           H        LYS  54  -8.973  -2.846   1.582
  389    HA   LYS  54           HA       LYS  54 -11.017  -4.775   2.071
  390   1HB   LYS  54          1HB       LYS  54 -10.667  -2.044   3.258
  391   2HB   LYS  54          2HB       LYS  54 -11.884  -3.231   3.694
  392   1HG   LYS  54          1HG       LYS  54 -10.033  -4.872   4.265
  393   2HG   LYS  54          2HG       LYS  54  -8.866  -3.615   3.840
  394   1HD   LYS  54          1HD       LYS  54  -9.105  -3.480   6.171
  395   2HD   LYS  54          2HD       LYS  54  -9.969  -2.102   5.461
  396   1HE   LYS  54          1HE       LYS  54 -12.132  -3.591   5.759
  397   2HE   LYS  54          2HE       LYS  54 -11.118  -4.613   6.774
  398   1HZ   LYS  54          1HZ       LYS  54 -11.705  -1.746   7.181
  399   2HZ   LYS  54          2HZ       LYS  54 -12.368  -2.992   8.014
  400   3HZ   LYS  54          3HZ       LYS  54 -10.769  -2.659   8.181
  401    H    SER  55           H        SER  55 -11.113  -1.321   1.072
  402    HA   SER  55           HA       SER  55 -13.920  -1.138   0.719
  403   1HB   SER  55          1HB       SER  55 -11.780   0.529  -0.673
  404   2HB   SER  55          2HB       SER  55 -13.458   0.970  -0.333
  405    HG   SER  55           HG       SER  55 -11.363   0.532   1.560
  406    H    ASN  56           H        ASN  56 -11.302  -1.977  -1.536
  407    HA   ASN  56           HA       ASN  56 -12.937  -2.080  -3.911
  408   1HB   ASN  56          1HB       ASN  56 -10.259  -3.350  -3.235
  409   2HB   ASN  56          2HB       ASN  56 -11.080  -3.591  -4.769
  410   1HD2  ASN  56          1HD2      ASN  56  -9.798  -0.902  -2.687
  411   2HD2  ASN  56          2HD2      ASN  56  -9.470   0.130  -4.065
  412    H    ASN  57           H        ASN  57 -12.022  -4.572  -1.466
  413    HA   ASN  57           HA       ASN  57 -14.323  -6.199  -2.374
  414   1HB   ASN  57          1HB       ASN  57 -12.439  -6.936  -3.765
  415   2HB   ASN  57          2HB       ASN  57 -11.473  -7.287  -2.330
  416   1HD2  ASN  57          1HD2      ASN  57 -12.307  -9.133  -4.487
  417   2HD2  ASN  57          2HD2      ASN  57 -13.252 -10.380  -3.690
  418    H    GLY  58           H        GLY  58 -11.460  -6.847  -0.249
  419   1HA   GLY  58          1HA       GLY  58 -12.568  -6.425   2.233
  420   2HA   GLY  58          2HA       GLY  58 -13.233  -7.988   1.731
  421    HA   PRO  59           HA       PRO  59  -8.823  -8.925   3.138
  422   1HB   PRO  59          1HB       PRO  59  -9.028  -9.283   5.810
  423   2HB   PRO  59          2HB       PRO  59  -8.803  -7.638   5.141
  424   1HG   PRO  59          1HG       PRO  59 -11.386  -8.944   6.038
  425   2HG   PRO  59          2HG       PRO  59 -10.801  -7.303   6.421
  426   1HD   PRO  59          1HD       PRO  59 -12.581  -7.941   4.358
  427   2HD   PRO  59          2HD       PRO  59 -11.544  -6.495   4.345
  428    H    THR  60           H        THR  60  -8.382 -11.275   3.443
  429    HA   THR  60           HA       THR  60 -10.649 -13.035   4.036
  430    HB   THR  60           HB       THR  60 -10.384 -14.123   1.726
  431    HG1  THR  60           HG1      THR  60  -9.524 -11.533   0.949
  432   1HG2  THR  60          1HG2      THR  60 -11.673 -11.372   1.525
  433   2HG2  THR  60          2HG2      THR  60 -12.048 -12.832   0.606
  434   3HG2  THR  60          3HG2      THR  60 -12.424 -12.762   2.338
  435    H    LYS  61           H        LYS  61  -7.899 -13.085   1.929
  436    HA   LYS  61           HA       LYS  61  -6.231 -14.691   3.810
  437   1HB   LYS  61          1HB       LYS  61  -4.575 -14.600   1.932
  438   2HB   LYS  61          2HB       LYS  61  -6.043 -15.508   1.558
  439   1HG   LYS  61          1HG       LYS  61  -6.899 -13.825   0.120
  440   2HG   LYS  61          2HG       LYS  61  -5.829 -12.584   0.794
  441   1HD   LYS  61          1HD       LYS  61  -3.866 -13.741  -0.172
  442   2HD   LYS  61          2HD       LYS  61  -4.951 -14.889  -0.986
  443   1HE   LYS  61          1HE       LYS  61  -5.972 -13.084  -2.295
  444   2HE   LYS  61          2HE       LYS  61  -5.196 -11.850  -1.296
  445   1HZ   LYS  61          1HZ       LYS  61  -3.052 -12.612  -2.169
  446   2HZ   LYS  61          2HZ       LYS  61  -3.848 -13.543  -3.279
  447   3HZ   LYS  61          3HZ       LYS  61  -3.997 -11.903  -3.243
  448    H    CYS  62           H        CYS  62  -4.512 -13.677   4.778
  449    HA   CYS  62           HA       CYS  62  -3.683 -10.927   4.352
  450   1HB   CYS  62          1HB       CYS  62  -2.059 -13.346   5.229
  451   2HB   CYS  62          2HB       CYS  62  -1.616 -11.644   5.462
  452    H    GLY  63           H        GLY  63  -0.803 -12.105   3.697
  453   1HA   GLY  63          1HA       GLY  63   0.362 -13.097   2.017
  454   2HA   GLY  63          2HA       GLY  63  -1.152 -13.592   1.259
  455    H    GLY  64           H        GLY  64  -2.347 -11.143   0.780
  456   1HA   GLY  64          1HA       GLY  64  -1.809 -10.258  -1.640
  457   2HA   GLY  64          2HA       GLY  64  -2.265  -9.135  -0.339
  458    H    CYS  65           H        CYS  65  -0.358  -8.493   1.079
  459    HA   CYS  65           HA       CYS  65   1.536  -7.159  -0.732
  460   1HB   CYS  65          1HB       CYS  65   0.884  -6.612   2.144
  461   2HB   CYS  65          2HB       CYS  65   1.569  -5.478   0.966
  462    H    HIS  66           H        HIS  66   1.487  -9.215   2.105
  463    HA   HIS  66           HA       HIS  66   4.410  -9.165   2.479
  464   1HB   HIS  66          1HB       HIS  66   2.226 -10.684   3.970
  465   2HB   HIS  66          2HB       HIS  66   3.918 -10.570   4.422
  466    HD1  HIS  66           HND      HIS  66   4.636  -7.689   4.751
  467    HD2  HIS  66           HD       HIS  66   0.697  -9.063   5.393
  468    HE1  HIS  66           HE       HIS  66   3.542  -6.150   6.459
  469    H    ILE  67           H        ILE  67   5.545 -10.514   1.168
  470    HA   ILE  67           HA       ILE  67   4.214 -12.729  -0.220
  471    HB   ILE  67           HB       ILE  67   7.099 -11.777  -0.325
  472   1HG1  ILE  67          1HG1      ILE  67   5.704  -9.891  -0.934
  473   2HG1  ILE  67          2HG1      ILE  67   6.475 -10.557  -2.365
  474   1HG2  ILE  67          1HG2      ILE  67   5.462 -13.545  -2.198
  475   2HG2  ILE  67          2HG2      ILE  67   7.045 -12.844  -2.599
  476   3HG2  ILE  67          3HG2      ILE  67   6.904 -14.004  -1.283
  477   1HD1  ILE  67          1HD1      ILE  67   4.332 -11.715  -2.964
  478   2HD1  ILE  67          2HD1      ILE  67   3.563 -10.971  -1.540
  479   3HD1  ILE  67          3HD1      ILE  67   4.172  -9.959  -2.851
  480    H    LYS  68           H        LYS  68   3.732 -13.601   2.004
  481    HA   LYS  68           HA       LYS  68   5.047 -16.084   2.216
  482   1HB   LYS  68          1HB       LYS  68   6.761 -14.771   3.473
  483   2HB   LYS  68          2HB       LYS  68   5.516 -14.162   4.521
  484   1HG   LYS  68          1HG       LYS  68   6.461 -17.043   4.154
  485   2HG   LYS  68          2HG       LYS  68   6.983 -15.992   5.463
  486   1HD   LYS  68          1HD       LYS  68   4.141 -17.096   5.145
  487   2HD   LYS  68          2HD       LYS  68   5.409 -17.805   6.103
  488   1HE   LYS  68          1HE       LYS  68   3.821 -16.525   7.464
  489   2HE   LYS  68          2HE       LYS  68   5.492 -15.962   7.649
  490   1HZ   LYS  68          1HZ       LYS  68   3.716 -14.220   7.371
  491   2HZ   LYS  68          2HZ       LYS  68   5.037 -14.093   6.392
  492   3HZ   LYS  68          3HZ       LYS  68   3.618 -14.674   5.790
  493    HHA  HEC  69           HCM      HEC  69   8.144   7.079  -0.981
  494    HHB  HEC  69           HDM      HEC  69   6.893  10.282  -6.334
  495    HHC  HEC  69           HAM      HEC  69   1.745   6.599  -7.338
  496    HHD  HEC  69           HBM      HEC  69   2.607   4.307  -1.385
  497   1HMA  HEC  69          HM81      HEC  69  10.227  10.375  -4.614
  498   2HMA  HEC  69          HM82      HEC  69   9.107  10.500  -5.960
  499   3HMA  HEC  69          HM83      HEC  69   8.856  11.499  -4.506
  500   1HAA  HEC  69          HP71      HEC  69  10.384   9.813  -2.456
  501   2HAA  HEC  69          HP72      HEC  69   9.447   9.051  -1.207
  502   1HBA  HEC  69          HP73      HEC  69  10.168   6.800  -2.420
  503   2HBA  HEC  69          HP74      HEC  69  11.427   7.815  -3.128
  504   1HMB  HEC  69          HM11      HEC  69   5.366  10.076  -9.557
  505   2HMB  HEC  69          HM12      HEC  69   4.412  11.188  -8.544
  506   3HMB  HEC  69          HM13      HEC  69   6.113  10.901  -8.196
  507    HAB  HEC  69          HT2A      HEC  69   1.764   8.060  -8.837
  508   1HBB  HEC  69          HT21      HEC  69   1.886   9.205 -10.822
  509   2HBB  HEC  69          HT22      HEC  69   3.182  10.272 -10.290
  510   3HBB  HEC  69          HT23      HEC  69   3.516   8.552 -10.625
  511   1HMC  HEC  69          HM31      HEC  69   0.259   4.631  -6.997
  512   2HMC  HEC  69          HM32      HEC  69  -0.842   4.518  -5.619
  513   3HMC  HEC  69          HM33      HEC  69  -0.421   6.099  -6.258
  514    HAC  HEC  69          HT4A      HEC  69   0.529   4.009  -1.980
  515   1HBC  HEC  69          HT41      HEC  69   0.591   1.963  -3.246
  516   2HBC  HEC  69          HT42      HEC  69  -1.118   2.399  -2.983
  517   3HBC  HEC  69          HT43      HEC  69  -0.363   2.677  -4.552
  518   1HMD  HEC  69          HM51      HEC  69   5.035   3.092   0.900
  519   2HMD  HEC  69          HM52      HEC  69   3.553   4.082   0.786
  520   3HMD  HEC  69          HM53      HEC  69   3.955   2.838  -0.425
  521   1HAD  HEC  69          HP61      HEC  69   8.129   4.944   0.447
  522   2HAD  HEC  69          HP62      HEC  69   7.299   6.363   1.066
  523   1HBD  HEC  69          HP63      HEC  69   5.621   4.751   2.108
  524   2HBD  HEC  69          HP64      HEC  69   6.890   3.502   1.872
  525    HHA  HEC  70           HCM      HEC  70  -3.920  -5.476  -6.224
  526    HHB  HEC  70           HDM      HEC  70   0.767  -4.021  -1.995
  527    HHC  HEC  70           HAM      HEC  70  -2.243   1.403  -0.664
  528    HHD  HEC  70           HBM      HEC  70  -6.547   0.245  -5.153
  529   1HMA  HEC  70          HM81      HEC  70   0.304  -7.416  -3.635
  530   2HMA  HEC  70          HM82      HEC  70   1.241  -6.129  -4.411
  531   3HMA  HEC  70          HM83      HEC  70   1.009  -6.128  -2.650
  532   1HAA  HEC  70          HP71      HEC  70  -2.617  -7.267  -6.052
  533   2HAA  HEC  70          HP72      HEC  70  -1.075  -7.759  -5.403
  534   1HBA  HEC  70          HP73      HEC  70  -2.206  -8.136  -3.167
  535   2HBA  HEC  70          HP74      HEC  70  -3.750  -7.812  -3.965
  536   1HMB  HEC  70          HM11      HEC  70   1.438  -3.228   0.053
  537   2HMB  HEC  70          HM12      HEC  70   2.431  -2.131  -0.933
  538   3HMB  HEC  70          HM13      HEC  70   1.856  -1.632   0.666
  539    HAB  HEC  70          HT2A      HEC  70  -0.677   1.307   0.609
  540   1HBB  HEC  70          HT21      HEC  70   1.387   1.676  -0.681
  541   2HBB  HEC  70          HT22      HEC  70   1.494   2.025   1.050
  542   3HBB  HEC  70          HT23      HEC  70   2.233   0.552   0.399
  543   1HMC  HEC  70          HM31      HEC  70  -4.835   3.869  -1.773
  544   2HMC  HEC  70          HM32      HEC  70  -4.439   2.843  -0.384
  545   3HMC  HEC  70          HM33      HEC  70  -3.153   3.455  -1.456
  546    HAC  HEC  70          HT4A      HEC  70  -7.386   1.587  -3.717
  547   1HBC  HEC  70          HT41      HEC  70  -6.769   3.272  -5.104
  548   2HBC  HEC  70          HT42      HEC  70  -7.428   4.199  -3.746
  549   3HBC  HEC  70          HT43      HEC  70  -5.659   4.027  -3.922
  550   1HMD  HEC  70          HM51      HEC  70  -7.057  -1.459  -8.217
  551   2HMD  HEC  70          HM52      HEC  70  -8.155  -2.215  -7.044
  552   3HMD  HEC  70          HM53      HEC  70  -7.590  -0.553  -6.799
  553   1HAD  HEC  70          HP61      HEC  70  -6.504  -3.796  -8.500
  554   2HAD  HEC  70          HP62      HEC  70  -5.111  -4.806  -8.162
  555   1HBD  HEC  70          HP63      HEC  70  -6.376  -6.014  -6.437
  556   2HBD  HEC  70          HP64      HEC  70  -7.767  -4.943  -6.682
  557    HHA  HEC  71           HCM      HEC  71   3.433  -3.840   9.164
  558    HHB  HEC  71           HDM      HEC  71   0.517  -9.334  10.620
  559    HHC  HEC  71           HAM      HEC  71  -2.752  -9.000   5.133
  560    HHD  HEC  71           HBM      HEC  71   0.616  -3.910   3.436
  561   1HMA  HEC  71          HM81      HEC  71   1.916  -8.852  12.279
  562   2HMA  HEC  71          HM82      HEC  71   3.110  -7.641  12.788
  563   3HMA  HEC  71          HM83      HEC  71   1.382  -7.301  12.936
  564   1HAA  HEC  71          HP71      HEC  71   4.542  -4.692  10.860
  565   2HAA  HEC  71          HP72      HEC  71   4.276  -5.819  12.185
  566   1HBA  HEC  71          HP73      HEC  71   4.721  -7.613  10.511
  567   2HBA  HEC  71          HP74      HEC  71   5.394  -6.412   9.398
  568   1HMB  HEC  71          HM11      HEC  71  -0.310 -11.528   9.954
  569   2HMB  HEC  71          HM12      HEC  71  -1.739 -10.748  10.682
  570   3HMB  HEC  71          HM13      HEC  71  -1.926 -11.980   9.414
  571    HAB  HEC  71          HT2A      HEC  71  -3.903 -10.182   6.501
  572   1HBB  HEC  71          HT21      HEC  71  -5.360 -10.846   8.246
  573   2HBB  HEC  71          HT22      HEC  71  -4.041 -10.892   9.429
  574   3HBB  HEC  71          HT23      HEC  71  -4.532  -9.345   8.703
  575   1HMC  HEC  71          HM31      HEC  71  -2.607  -8.849   2.883
  576   2HMC  HEC  71          HM32      HEC  71  -3.913  -7.668   3.125
  577   3HMC  HEC  71          HM33      HEC  71  -2.790  -7.519   1.748
  578    HAC  HEC  71          HT4A      HEC  71  -0.925  -4.073   2.095
  579   1HBC  HEC  71          HT41      HEC  71  -3.311  -4.061   2.588
  580   2HBC  HEC  71          HT42      HEC  71  -2.890  -3.963   0.861
  581   3HBC  HEC  71          HT43      HEC  71  -3.541  -5.462   1.518
  582   1HMD  HEC  71          HM51      HEC  71   2.458  -2.693   3.344
  583   2HMD  HEC  71          HM52      HEC  71   1.768  -1.323   4.210
  584   3HMD  HEC  71          HM53      HEC  71   3.492  -1.713   4.389
  585   1HAD  HEC  71          HP61      HEC  71   3.664  -1.013   6.636
  586   2HAD  HEC  71          HP62      HEC  71   3.709  -1.807   8.197
  587   1HBD  HEC  71          HP63      HEC  71   5.506  -2.439   5.874
  588   2HBD  HEC  71          HP64      HEC  71   5.917  -1.655   7.389
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1  11.440   0.223  -9.326
    2   2H    ALA   1          2H        ALA   1  12.797   0.401  -8.382
    3   3H    ALA   1          3H        ALA   1  11.328   0.073  -7.696
    4    HA   ALA   1           HA       ALA   1  11.758   2.334  -7.299
    5   1HB   ALA   1          1HB       ALA   1  12.169   2.492 -10.325
    6   2HB   ALA   1          2HB       ALA   1  12.013   3.893  -9.243
    7   3HB   ALA   1          3HB       ALA   1  13.373   2.771  -9.058
    8    H    ASP   2           H        ASP   2  10.232   1.907 -10.461
    9    HA   ASP   2           HA       ASP   2   7.546   2.195 -10.159
   10   1HB   ASP   2          1HB       ASP   2   7.562   0.214 -11.747
   11   2HB   ASP   2          2HB       ASP   2   8.735   1.447 -12.217
   12    H    VAL   3           H        VAL   3   9.481  -0.612  -9.090
   13    HA   VAL   3           HA       VAL   3   7.294  -1.235  -7.138
   14    HB   VAL   3           HB       VAL   3   7.717  -3.002  -8.772
   15   1HG1  VAL   3          1HG1      VAL   3  10.109  -2.644  -9.263
   16   2HG1  VAL   3          2HG1      VAL   3  10.538  -3.167  -7.619
   17   3HG1  VAL   3          3HG1      VAL   3   9.797  -4.305  -8.756
   18   1HG2  VAL   3          1HG2      VAL   3   8.652  -3.810  -5.991
   19   2HG2  VAL   3          2HG2      VAL   3   6.960  -3.578  -6.489
   20   3HG2  VAL   3          3HG2      VAL   3   7.933  -4.856  -7.227
   21    H    VAL   4           H        VAL   4   7.767  -1.504  -4.964
   22    HA   VAL   4           HA       VAL   4  10.548  -1.004  -3.982
   23    HB   VAL   4           HB       VAL   4   7.947   0.208  -3.022
   24   1HG1  VAL   4          1HG1      VAL   4  10.713   0.209  -1.707
   25   2HG1  VAL   4          2HG1      VAL   4   9.406   1.314  -1.250
   26   3HG1  VAL   4          3HG1      VAL   4   9.208  -0.415  -1.008
   27   1HG2  VAL   4          1HG2      VAL   4   9.113   2.349  -3.336
   28   2HG2  VAL   4          2HG2      VAL   4  10.531   1.485  -3.975
   29   3HG2  VAL   4          3HG2      VAL   4   8.983   1.457  -4.860
   30    H    THR   5           H        THR   5  10.761  -1.972  -1.756
   31    HA   THR   5           HA       THR   5   8.367  -3.241  -0.865
   32    HB   THR   5           HB       THR   5   9.670  -5.226  -1.685
   33    HG1  THR   5           HG1      THR   5   8.540  -5.092   0.410
   34   1HG2  THR   5          1HG2      THR   5  11.889  -4.336   0.212
   35   2HG2  THR   5          2HG2      THR   5  11.823  -5.849  -0.706
   36   3HG2  THR   5          3HG2      THR   5  11.968  -4.305  -1.564
   37    H    TYR   6           H        TYR   6   8.089  -3.292   1.304
   38    HA   TYR   6           HA       TYR   6   9.632  -1.337   2.836
   39   1HB   TYR   6          1HB       TYR   6   7.403  -3.189   3.673
   40   2HB   TYR   6          2HB       TYR   6   8.106  -1.942   4.685
   41    HD1  TYR   6           HD1      TYR   6   8.255   0.506   3.285
   42    HD2  TYR   6           HD2      TYR   6   5.390  -2.644   2.746
   43    HE1  TYR   6           HE1      TYR   6   6.790   2.029   2.013
   44    HE2  TYR   6           HE2      TYR   6   3.892  -1.093   1.561
   45    HH   TYR   6           HH       TYR   6   4.179   0.927   0.263
   46    H    GLU   7           H        GLU   7   9.850  -4.748   2.163
   47    HA   GLU   7           HA       GLU   7  10.680  -6.533   3.241
   48   1HB   GLU   7          1HB       GLU   7  12.557  -4.741   3.767
   49   2HB   GLU   7          2HB       GLU   7  11.989  -4.958   5.427
   50   1HG   GLU   7          1HG       GLU   7  12.829  -7.357   3.757
   51   2HG   GLU   7          2HG       GLU   7  14.047  -6.270   4.404
   52    H    ASN   8           H        ASN   8  10.715  -7.269   5.823
   53    HA   ASN   8           HA       ASN   8   9.796  -6.542   7.984
   54   1HB   ASN   8          1HB       ASN   8   7.495  -6.523   8.437
   55   2HB   ASN   8          2HB       ASN   8   7.765  -5.375   7.148
   56   1HD2  ASN   8          1HD2      ASN   8   6.847  -5.897   5.100
   57   2HD2  ASN   8          2HD2      ASN   8   5.839  -7.331   4.778
   58    H    LYS   9           H        LYS   9   8.902  -8.149   9.492
   59    HA   LYS   9           HA       LYS   9  10.169 -10.595   8.697
   60   1HB   LYS   9          1HB       LYS   9   9.996  -9.217  11.076
   61   2HB   LYS   9          2HB       LYS   9   8.785 -10.461  11.337
   62   1HG   LYS   9          1HG       LYS   9  10.739 -11.481  12.144
   63   2HG   LYS   9          2HG       LYS   9  10.556 -12.152  10.533
   64   1HD   LYS   9          1HD       LYS   9  12.862 -11.602  10.668
   65   2HD   LYS   9          2HD       LYS   9  12.153 -10.344   9.670
   66   1HE   LYS   9          1HE       LYS   9  13.716  -9.321  11.172
   67   2HE   LYS   9          2HE       LYS   9  12.102  -8.792  11.638
   68   1HZ   LYS   9          1HZ       LYS   9  12.157 -10.423  13.412
   69   2HZ   LYS   9          2HZ       LYS   9  13.660 -10.923  12.956
   70   3HZ   LYS   9          3HZ       LYS   9  13.435  -9.399  13.526
   71    H    LYS  10           H        LYS  10   6.783  -9.668   9.320
   72    HA   LYS  10           HA       LYS  10   5.668 -12.319   9.135
   73   1HB   LYS  10          1HB       LYS  10   4.491  -9.898   7.728
   74   2HB   LYS  10          2HB       LYS  10   3.639 -11.341   8.228
   75   1HG   LYS  10          1HG       LYS  10   4.731  -9.150  10.039
   76   2HG   LYS  10          2HG       LYS  10   3.134  -9.309   9.424
   77   1HD   LYS  10          1HD       LYS  10   3.028 -10.116  11.649
   78   2HD   LYS  10          2HD       LYS  10   2.794 -11.477  10.569
   79   1HE   LYS  10          1HE       LYS  10   4.197 -11.932  12.596
   80   2HE   LYS  10          2HE       LYS  10   4.971 -12.358  11.083
   81   1HZ   LYS  10          1HZ       LYS  10   6.508 -11.209  12.534
   82   2HZ   LYS  10          2HZ       LYS  10   6.223 -10.204  11.262
   83   3HZ   LYS  10          3HZ       LYS  10   5.537  -9.887  12.636
   84    H    GLY  11           H        GLY  11   6.335 -10.015   6.511
   85   1HA   GLY  11          1HA       GLY  11   7.180 -11.929   4.582
   86   2HA   GLY  11          2HA       GLY  11   5.424 -11.689   4.426
   87    H    ASN  12           H        ASN  12   8.425 -10.485   3.657
   88    HA   ASN  12           HA       ASN  12   8.537  -7.738   3.572
   89   1HB   ASN  12          1HB       ASN  12   9.260  -9.711   1.426
   90   2HB   ASN  12          2HB       ASN  12   9.758  -8.026   1.432
   91   1HD2  ASN  12          1HD2      ASN  12   9.710  -9.148   4.733
   92   2HD2  ASN  12          2HD2      ASN  12  11.425  -9.155   4.843
   93    H    VAL  13           H        VAL  13   6.997  -6.397   3.024
   94    HA   VAL  13           HA       VAL  13   4.883  -7.088   1.069
   95    HB   VAL  13           HB       VAL  13   5.335  -4.792   2.973
   96   1HG1  VAL  13          1HG1      VAL  13   3.167  -3.867   2.009
   97   2HG1  VAL  13          2HG1      VAL  13   4.547  -3.677   0.931
   98   3HG1  VAL  13          3HG1      VAL  13   3.359  -4.969   0.635
   99   1HG2  VAL  13          1HG2      VAL  13   4.226  -6.903   3.747
  100   2HG2  VAL  13          2HG2      VAL  13   3.131  -5.520   3.796
  101   3HG2  VAL  13          3HG2      VAL  13   3.004  -6.707   2.487
  102    H    THR  14           H        THR  14   5.764  -7.206  -0.858
  103    HA   THR  14           HA       THR  14   7.413  -5.053  -2.024
  104    HB   THR  14           HB       THR  14   6.141  -7.537  -3.260
  105    HG1  THR  14           HG1      THR  14   7.738  -7.914  -1.592
  106   1HG2  THR  14          1HG2      THR  14   8.359  -5.693  -4.263
  107   2HG2  THR  14          2HG2      THR  14   7.842  -7.208  -5.031
  108   3HG2  THR  14          3HG2      THR  14   6.725  -5.835  -4.956
  109    H    PHE  15           H        PHE  15   6.449  -3.433  -3.367
  110    HA   PHE  15           HA       PHE  15   3.597  -3.691  -4.009
  111   1HB   PHE  15          1HB       PHE  15   2.943  -1.606  -2.996
  112   2HB   PHE  15          2HB       PHE  15   3.537  -2.724  -1.777
  113    HD1  PHE  15           HD1      PHE  15   5.856  -2.424  -0.819
  114    HD2  PHE  15           HD2      PHE  15   3.920   0.568  -3.255
  115    HE1  PHE  15           HE1      PHE  15   7.293  -0.679   0.170
  116    HE2  PHE  15           HE2      PHE  15   5.370   2.315  -2.252
  117    HZ   PHE  15           HZ       PHE  15   7.053   1.680  -0.528
  118    H    ASP  16           H        ASP  16   3.278  -3.077  -5.951
  119    HA   ASP  16           HA       ASP  16   5.194  -1.810  -7.585
  120   1HB   ASP  16          1HB       ASP  16   2.293  -2.504  -8.115
  121   2HB   ASP  16          2HB       ASP  16   3.604  -2.281  -9.309
  122    H    HIS  17           H        HIS  17   5.565   0.232  -6.767
  123    HA   HIS  17           HA       HIS  17   3.805   2.252  -5.978
  124   1HB   HIS  17          1HB       HIS  17   6.346   2.144  -5.744
  125   2HB   HIS  17          2HB       HIS  17   6.492   2.532  -7.433
  126    HD1  HIS  17           HND      HIS  17   7.321   4.925  -7.554
  127    HD2  HIS  17           HD       HIS  17   4.261   4.286  -4.737
  128    HE1  HIS  17           HE       HIS  17   6.661   7.224  -6.618
  129    H    LYS  18           H        LYS  18   5.446   1.967  -9.133
  130    HA   LYS  18           HA       LYS  18   4.081   4.076 -10.441
  131   1HB   LYS  18          1HB       LYS  18   6.095   3.333 -11.405
  132   2HB   LYS  18          2HB       LYS  18   5.568   1.630 -11.468
  133   1HG   LYS  18          1HG       LYS  18   4.000   2.085 -13.225
  134   2HG   LYS  18          2HG       LYS  18   4.174   3.833 -13.006
  135   1HD   LYS  18          1HD       LYS  18   6.497   3.702 -13.820
  136   2HD   LYS  18          2HD       LYS  18   6.350   1.926 -13.953
  137   1HE   LYS  18          1HE       LYS  18   4.543   2.146 -15.604
  138   2HE   LYS  18          2HE       LYS  18   4.503   3.906 -15.399
  139   1HZ   LYS  18          1HZ       LYS  18   6.731   2.374 -16.544
  140   2HZ   LYS  18          2HZ       LYS  18   5.615   3.260 -17.370
  141   3HZ   LYS  18          3HZ       LYS  18   6.677   4.018 -16.365
  142    H    ALA  19           H        ALA  19   3.510   0.555 -10.575
  143    HA   ALA  19           HA       ALA  19   1.258   0.428 -12.175
  144   1HB   ALA  19          1HB       ALA  19   2.363  -1.527 -11.122
  145   2HB   ALA  19          2HB       ALA  19   1.637  -1.003  -9.570
  146   3HB   ALA  19          3HB       ALA  19   0.591  -1.542 -10.894
  147    H    HIS  20           H        HIS  20   1.167   0.870  -8.550
  148    HA   HIS  20           HA       HIS  20  -1.659   1.268  -8.379
  149   1HB   HIS  20          1HB       HIS  20   0.679   2.209  -6.670
  150   2HB   HIS  20          2HB       HIS  20  -0.980   2.663  -6.327
  151    HD1  HIS  20           HND      HIS  20   1.165  -0.520  -6.466
  152    HD2  HIS  20           HD       HIS  20  -2.444   0.986  -4.928
  153    HE1  HIS  20           HE       HIS  20   0.278  -2.255  -4.807
  154    H    ALA  21           H        ALA  21   1.071   3.414  -9.041
  155    HA   ALA  21           HA       ALA  21  -0.383   5.885  -8.884
  156   1HB   ALA  21          1HB       ALA  21   1.445   6.935  -9.913
  157   2HB   ALA  21          2HB       ALA  21   2.138   5.630  -8.907
  158   3HB   ALA  21          3HB       ALA  21   2.038   5.452 -10.662
  159    H    GLU  22           H        GLU  22   0.303   3.861 -11.745
  160    HA   GLU  22           HA       GLU  22  -1.141   5.719 -13.478
  161   1HB   GLU  22          1HB       GLU  22  -0.607   4.229 -15.304
  162   2HB   GLU  22          2HB       GLU  22   0.807   4.637 -14.326
  163   1HG   GLU  22          1HG       GLU  22   0.567   2.375 -13.203
  164   2HG   GLU  22          2HG       GLU  22  -0.706   1.993 -14.369
  165    H    LYS  23           H        LYS  23  -1.797   2.438 -12.167
  166    HA   LYS  23           HA       LYS  23  -4.320   1.975 -13.256
  167   1HB   LYS  23          1HB       LYS  23  -3.188   1.413 -10.479
  168   2HB   LYS  23          2HB       LYS  23  -4.652   0.669 -11.105
  169   1HG   LYS  23          1HG       LYS  23  -2.077   0.453 -12.717
  170   2HG   LYS  23          2HG       LYS  23  -2.258  -0.542 -11.275
  171   1HD   LYS  23          1HD       LYS  23  -4.344  -0.386 -13.441
  172   2HD   LYS  23          2HD       LYS  23  -2.947  -1.481 -13.552
  173   1HE   LYS  23          1HE       LYS  23  -3.591  -2.475 -11.291
  174   2HE   LYS  23          2HE       LYS  23  -5.071  -1.512 -11.323
  175   1HZ   LYS  23          1HZ       LYS  23  -5.682  -2.758 -13.336
  176   2HZ   LYS  23          2HZ       LYS  23  -4.357  -3.745 -13.083
  177   3HZ   LYS  23          3HZ       LYS  23  -5.528  -3.641 -11.967
  178    H    LEU  24           H        LEU  24  -3.462   3.757 -10.270
  179    HA   LEU  24           HA       LEU  24  -6.310   4.440  -9.829
  180   1HB   LEU  24          1HB       LEU  24  -3.926   4.948  -8.036
  181   2HB   LEU  24          2HB       LEU  24  -5.633   5.034  -7.620
  182    HG   LEU  24           HG       LEU  24  -4.280   2.437  -8.530
  183   1HD1  LEU  24          1HD1      LEU  24  -4.329   1.867  -6.099
  184   2HD1  LEU  24          2HD1      LEU  24  -3.176   3.137  -6.546
  185   3HD1  LEU  24          3HD1      LEU  24  -4.687   3.578  -5.764
  186   1HD2  LEU  24          1HD2      LEU  24  -6.669   2.356  -8.870
  187   2HD2  LEU  24          2HD2      LEU  24  -6.282   1.425  -7.417
  188   3HD2  LEU  24          3HD2      LEU  24  -6.981   3.052  -7.268
  189    H    GLY  25           H        GLY  25  -3.135   6.261  -9.915
  190   1HA   GLY  25          1HA       GLY  25  -3.539   8.259 -11.447
  191   2HA   GLY  25          2HA       GLY  25  -4.616   8.823 -10.143
  192    H    CYS  26           H        CYS  26  -3.680   8.938  -7.984
  193    HA   CYS  26           HA       CYS  26  -0.950   8.852  -7.288
  194   1HB   CYS  26          1HB       CYS  26  -1.079  10.888  -9.160
  195   2HB   CYS  26          2HB       CYS  26  -1.551  11.767  -7.732
  196    H    ASP  27           H        ASP  27  -3.768  10.716  -7.227
  197    HA   ASP  27           HA       ASP  27  -4.179  12.039  -4.829
  198   1HB   ASP  27          1HB       ASP  27  -6.546  11.580  -5.437
  199   2HB   ASP  27          2HB       ASP  27  -5.610  12.181  -6.806
  200    H    ALA  28           H        ALA  28  -4.743   8.723  -5.788
  201    HA   ALA  28           HA       ALA  28  -5.921   7.455  -3.733
  202   1HB   ALA  28          1HB       ALA  28  -4.470   5.477  -4.332
  203   2HB   ALA  28          2HB       ALA  28  -5.160   6.333  -5.737
  204   3HB   ALA  28          3HB       ALA  28  -3.460   6.580  -5.295
  205    H    CYS  29           H        CYS  29  -2.506   8.446  -3.731
  206    HA   CYS  29           HA       CYS  29  -2.274   7.710  -0.823
  207   1HB   CYS  29          1HB       CYS  29  -0.174   7.412  -2.945
  208   2HB   CYS  29          2HB       CYS  29  -0.068   6.892  -1.249
  209    H    HIS  30           H        HIS  30  -1.359  10.018  -3.414
  210    HA   HIS  30           HA       HIS  30  -0.095  11.770  -1.338
  211   1HB   HIS  30          1HB       HIS  30   0.773  11.433  -4.220
  212   2HB   HIS  30          2HB       HIS  30   1.514  12.469  -3.016
  213    HD1  HIS  30           HND      HIS  30   3.206  11.217  -1.297
  214    HD2  HIS  30           HD       HIS  30   1.705   9.112  -4.569
  215    HE1  HIS  30           HE       HIS  30   4.901   9.324  -1.868
  216    H    GLU  31           H        GLU  31  -0.997  13.772  -1.337
  217    HA   GLU  31           HA       GLU  31  -2.848  14.559  -3.507
  218   1HB   GLU  31          1HB       GLU  31  -2.144  15.924  -0.871
  219   2HB   GLU  31          2HB       GLU  31  -3.419  16.420  -2.021
  220   1HG   GLU  31          1HG       GLU  31  -4.541  14.263  -1.705
  221   2HG   GLU  31          2HG       GLU  31  -3.328  13.829  -0.477
  222    H    GLY  32           H        GLY  32  -1.638  17.295  -2.260
  223   1HA   GLY  32          1HA       GLY  32  -1.054  18.436  -4.643
  224   2HA   GLY  32          2HA       GLY  32  -0.429  19.060  -3.110
  225    H    THR  33           H        THR  33   1.452  17.037  -2.460
  226    HA   THR  33           HA       THR  33   3.133  16.653  -4.800
  227    HB   THR  33           HB       THR  33   3.978  18.774  -4.099
  228    HG1  THR  33           HG1      THR  33   5.763  16.735  -3.204
  229   1HG2  THR  33          1HG2      THR  33   3.238  18.847  -1.740
  230   2HG2  THR  33          2HG2      THR  33   4.459  17.628  -1.313
  231   3HG2  THR  33          3HG2      THR  33   4.959  19.219  -1.911
  232    HA   PRO  34           HA       PRO  34   4.067  13.084  -2.092
  233   1HB   PRO  34          1HB       PRO  34   5.543  11.629  -3.752
  234   2HB   PRO  34          2HB       PRO  34   3.811  11.858  -4.090
  235   1HG   PRO  34          1HG       PRO  34   6.079  13.345  -5.356
  236   2HG   PRO  34          2HG       PRO  34   4.620  12.614  -6.116
  237   1HD   PRO  34          1HD       PRO  34   4.849  15.293  -5.415
  238   2HD   PRO  34          2HD       PRO  34   3.295  14.413  -5.561
  239    H    ALA  35           H        ALA  35   6.504  12.010  -1.972
  240    HA   ALA  35           HA       ALA  35   8.814  13.579  -2.194
  241   1HB   ALA  35          1HB       ALA  35   7.882  15.141  -0.535
  242   2HB   ALA  35          2HB       ALA  35   7.484  13.791   0.550
  243   3HB   ALA  35          3HB       ALA  35   9.177  14.201   0.208
  244    H    LYS  36           H        LYS  36   6.980  11.268  -0.277
  245    HA   LYS  36           HA       LYS  36   8.296   8.947  -0.246
  246   1HB   LYS  36          1HB       LYS  36   9.618   8.939   1.830
  247   2HB   LYS  36          2HB       LYS  36  10.360   9.908   0.606
  248   1HG   LYS  36          1HG       LYS  36  10.416  11.695   1.925
  249   2HG   LYS  36          2HG       LYS  36   8.671  11.697   2.126
  250   1HD   LYS  36          1HD       LYS  36  10.674  10.124   3.818
  251   2HD   LYS  36          2HD       LYS  36   9.831  11.617   4.288
  252   1HE   LYS  36          1HE       LYS  36   7.628  10.372   3.918
  253   2HE   LYS  36          2HE       LYS  36   8.597   8.881   3.737
  254   1HZ   LYS  36          1HZ       LYS  36   8.452  10.509   6.165
  255   2HZ   LYS  36          2HZ       LYS  36   7.675   9.086   5.850
  256   3HZ   LYS  36          3HZ       LYS  36   9.321   9.111   5.960
  257    H    ILE  37           H        ILE  37   7.446   7.718   1.910
  258    HA   ILE  37           HA       ILE  37   5.402   9.360   3.324
  259    HB   ILE  37           HB       ILE  37   4.589   6.601   2.395
  260   1HG1  ILE  37          1HG1      ILE  37   4.032   9.239   1.008
  261   2HG1  ILE  37          2HG1      ILE  37   4.848   7.790   0.379
  262   1HG2  ILE  37          1HG2      ILE  37   3.012   8.996   3.439
  263   2HG2  ILE  37          2HG2      ILE  37   2.379   7.368   3.127
  264   3HG2  ILE  37          3HG2      ILE  37   3.532   7.621   4.434
  265   1HD1  ILE  37          1HD1      ILE  37   1.893   8.149   1.030
  266   2HD1  ILE  37          2HD1      ILE  37   2.623   7.811  -0.540
  267   3HD1  ILE  37          3HD1      ILE  37   2.619   6.560   0.711
  268    H    ALA  38           H        ALA  38   6.827   6.218   3.026
  269    HA   ALA  38           HA       ALA  38   7.738   4.707   4.418
  270   1HB   ALA  38          1HB       ALA  38   8.930   6.617   5.407
  271   2HB   ALA  38          2HB       ALA  38   7.671   6.742   6.670
  272   3HB   ALA  38          3HB       ALA  38   8.646   5.273   6.533
  273    H    ILE  39           H        ILE  39   5.742   3.685   3.935
  274    HA   ILE  39           HA       ILE  39   3.676   3.633   6.083
  275    HB   ILE  39           HB       ILE  39   3.757   2.550   3.252
  276   1HG1  ILE  39          1HG1      ILE  39   3.386   4.928   3.334
  277   2HG1  ILE  39          2HG1      ILE  39   1.901   4.064   2.950
  278   1HG2  ILE  39          1HG2      ILE  39   2.529   0.911   4.405
  279   2HG2  ILE  39          2HG2      ILE  39   1.853   2.108   5.534
  280   3HG2  ILE  39          3HG2      ILE  39   1.272   2.024   3.869
  281   1HD1  ILE  39          1HD1      ILE  39   1.275   4.328   5.443
  282   2HD1  ILE  39          2HD1      ILE  39   2.608   5.502   5.521
  283   3HD1  ILE  39          3HD1      ILE  39   1.238   5.783   4.440
  284    H    ASP  40           H        ASP  40   4.441   2.653   7.644
  285    HA   ASP  40           HA       ASP  40   5.688  -0.036   7.427
  286   1HB   ASP  40          1HB       ASP  40   6.878   0.563   9.430
  287   2HB   ASP  40          2HB       ASP  40   7.082   1.861   8.290
  288    H    LYS  41           H        LYS  41   5.442  -1.004   9.680
  289    HA   LYS  41           HA       LYS  41   3.189  -1.977  10.608
  290   1HB   LYS  41          1HB       LYS  41   4.335  -1.900  12.898
  291   2HB   LYS  41          2HB       LYS  41   5.235  -2.636  11.567
  292   1HG   LYS  41          1HG       LYS  41   6.607  -0.697  11.250
  293   2HG   LYS  41          2HG       LYS  41   5.575   0.316  12.264
  294   1HD   LYS  41          1HD       LYS  41   6.361  -0.949  14.247
  295   2HD   LYS  41          2HD       LYS  41   7.396  -1.933  13.168
  296   1HE   LYS  41          1HE       LYS  41   8.459   0.187  12.302
  297   2HE   LYS  41          2HE       LYS  41   7.460   1.138  13.400
  298   1HZ   LYS  41          1HZ       LYS  41   8.574   0.055  15.236
  299   2HZ   LYS  41          2HZ       LYS  41   9.503  -0.827  14.193
  300   3HZ   LYS  41          3HZ       LYS  41   9.648   0.811  14.243
  301    H    LYS  42           H        LYS  42   1.529  -1.358  11.582
  302    HA   LYS  42           HA       LYS  42  -0.161  -0.138  12.506
  303   1HB   LYS  42          1HB       LYS  42   1.899   0.879  13.904
  304   2HB   LYS  42          2HB       LYS  42   1.509   2.331  12.961
  305   1HG   LYS  42          1HG       LYS  42  -0.926   1.903  13.677
  306   2HG   LYS  42          2HG       LYS  42  -0.241   0.663  14.752
  307   1HD   LYS  42          1HD       LYS  42   1.254   2.460  15.759
  308   2HD   LYS  42          2HD       LYS  42   0.499   3.648  14.679
  309   1HE   LYS  42          1HE       LYS  42  -1.729   3.149  15.777
  310   2HE   LYS  42          2HE       LYS  42  -0.881   2.092  16.921
  311   1HZ   LYS  42          1HZ       LYS  42  -0.431   4.989  16.582
  312   2HZ   LYS  42          2HZ       LYS  42  -1.213   4.270  17.834
  313   3HZ   LYS  42          3HZ       LYS  42   0.398   4.023  17.625
  314    H    SER  43           H        SER  43   2.000   1.962  10.454
  315    HA   SER  43           HA       SER  43  -0.087   3.746   9.725
  316   1HB   SER  43          1HB       SER  43   2.410   4.125   9.632
  317   2HB   SER  43          2HB       SER  43   2.466   3.128   8.182
  318    HG   SER  43           HG       SER  43   2.252   5.397   7.779
  319    H    ALA  44           H        ALA  44   1.467   1.229   7.746
  320    HA   ALA  44           HA       ALA  44  -0.123   0.815   5.562
  321   1HB   ALA  44          1HB       ALA  44   1.033  -1.287   7.428
  322   2HB   ALA  44          2HB       ALA  44   0.638  -1.477   5.702
  323   3HB   ALA  44          3HB       ALA  44   1.948  -0.373   6.227
  324    H    HIS  45           H        HIS  45  -0.563  -0.570   8.740
  325    HA   HIS  45           HA       HIS  45  -2.991  -2.001   8.184
  326   1HB   HIS  45          1HB       HIS  45  -1.239  -1.491  10.586
  327   2HB   HIS  45          2HB       HIS  45  -2.857  -2.140  10.802
  328    HD1  HIS  45           HND      HIS  45  -2.312  -4.478  11.529
  329    HD2  HIS  45           HD       HIS  45  -0.412  -3.359   7.936
  330    HE1  HIS  45           HE       HIS  45  -1.191  -6.542  10.620
  331    H    LYS  46           H        LYS  46  -2.396   1.330   9.078
  332    HA   LYS  46           HA       LYS  46  -5.005   1.764  10.314
  333   1HB   LYS  46          1HB       LYS  46  -3.129   3.217  10.736
  334   2HB   LYS  46          2HB       LYS  46  -3.152   3.781   9.067
  335   1HG   LYS  46          1HG       LYS  46  -5.601   4.439   9.434
  336   2HG   LYS  46          2HG       LYS  46  -5.407   3.989  11.133
  337   1HD   LYS  46          1HD       LYS  46  -3.611   5.560  11.404
  338   2HD   LYS  46          2HD       LYS  46  -3.626   5.993   9.690
  339   1HE   LYS  46          1HE       LYS  46  -5.935   6.475  11.650
  340   2HE   LYS  46          2HE       LYS  46  -4.768   7.704  11.140
  341   1HZ   LYS  46          1HZ       LYS  46  -6.655   6.316   9.316
  342   2HZ   LYS  46          2HZ       LYS  46  -6.812   7.838   9.876
  343   3HZ   LYS  46          3HZ       LYS  46  -5.574   7.440   8.874
  344    H    ASP  47           H        ASP  47  -4.359   3.755   7.580
  345    HA   ASP  47           HA       ASP  47  -6.541   2.462   6.017
  346   1HB   ASP  47          1HB       ASP  47  -5.754   5.393   6.298
  347   2HB   ASP  47          2HB       ASP  47  -6.963   4.771   5.168
  348    H    ALA  48           H        ALA  48  -3.231   3.477   5.972
  349    HA   ALA  48           HA       ALA  48  -2.810   4.410   3.445
  350   1HB   ALA  48          1HB       ALA  48  -1.016   2.679   5.218
  351   2HB   ALA  48          2HB       ALA  48  -0.483   3.520   3.743
  352   3HB   ALA  48          3HB       ALA  48  -1.101   4.434   5.131
  353    H    CYS  49           H        CYS  49  -2.495   0.963   4.366
  354    HA   CYS  49           HA       CYS  49  -3.151   0.141   1.578
  355   1HB   CYS  49          1HB       CYS  49  -2.069  -1.627   3.741
  356   2HB   CYS  49          2HB       CYS  49  -1.962  -1.818   1.990
  357    H    LYS  50           H        LYS  50  -3.793  -0.613   5.031
  358    HA   LYS  50           HA       LYS  50  -5.673  -2.624   4.322
  359   1HB   LYS  50          1HB       LYS  50  -4.072  -2.549   6.265
  360   2HB   LYS  50          2HB       LYS  50  -5.143  -1.384   7.029
  361   1HG   LYS  50          1HG       LYS  50  -6.894  -3.513   6.502
  362   2HG   LYS  50          2HG       LYS  50  -5.348  -4.334   6.646
  363   1HD   LYS  50          1HD       LYS  50  -6.171  -4.427   8.799
  364   2HD   LYS  50          2HD       LYS  50  -5.070  -3.072   8.893
  365   1HE   LYS  50          1HE       LYS  50  -8.135  -3.018   8.693
  366   2HE   LYS  50          2HE       LYS  50  -7.151  -2.607  10.103
  367   1HZ   LYS  50          1HZ       LYS  50  -7.332  -1.057   7.600
  368   2HZ   LYS  50          2HZ       LYS  50  -7.921  -0.621   9.052
  369   3HZ   LYS  50          3HZ       LYS  50  -6.303  -0.689   8.817
  370    H    THR  51           H        THR  51  -6.690  -0.160   3.297
  371    HA   THR  51           HA       THR  51  -9.425  -0.424   4.357
  372    HB   THR  51           HB       THR  51  -8.041   2.291   4.261
  373    HG1  THR  51           HG1      THR  51  -8.736   2.330   6.410
  374   1HG2  THR  51          1HG2      THR  51 -11.007   1.652   4.547
  375   2HG2  THR  51          2HG2      THR  51 -10.255   3.234   4.832
  376   3HG2  THR  51          3HG2      THR  51 -10.249   2.543   3.205
  377    H    CYS  52           H        CYS  52  -7.419   1.527   2.154
  378    HA   CYS  52           HA       CYS  52  -9.059   1.828  -0.002
  379   1HB   CYS  52          1HB       CYS  52  -6.584   2.485   0.607
  380   2HB   CYS  52          2HB       CYS  52  -6.166   1.098  -0.394
  381    H    HIS  53           H        HIS  53  -7.022  -1.045   0.663
  382    HA   HIS  53           HA       HIS  53  -7.577  -2.448  -1.743
  383   1HB   HIS  53          1HB       HIS  53  -6.686  -3.247   1.053
  384   2HB   HIS  53          2HB       HIS  53  -7.039  -4.461  -0.187
  385    HD1  HIS  53           HND      HIS  53  -4.377  -5.088   0.132
  386    HD2  HIS  53           HD       HIS  53  -5.438  -1.564  -1.913
  387    HE1  HIS  53           HE       HIS  53  -2.461  -4.484  -1.388
  388    H    LYS  54           H        LYS  54  -9.688  -1.984   0.999
  389    HA   LYS  54           HA       LYS  54 -11.085  -4.549   0.700
  390   1HB   LYS  54          1HB       LYS  54 -11.502  -2.174   2.580
  391   2HB   LYS  54          2HB       LYS  54 -12.553  -3.581   2.481
  392   1HG   LYS  54          1HG       LYS  54 -11.156  -4.085   4.248
  393   2HG   LYS  54          2HG       LYS  54 -10.595  -5.061   2.885
  394   1HD   LYS  54          1HD       LYS  54  -8.977  -2.749   2.751
  395   2HD   LYS  54          2HD       LYS  54  -9.210  -2.951   4.469
  396   1HE   LYS  54          1HE       LYS  54  -8.268  -5.142   2.537
  397   2HE   LYS  54          2HE       LYS  54  -7.179  -4.158   3.513
  398   1HZ   LYS  54          1HZ       LYS  54  -8.106  -5.086   5.484
  399   2HZ   LYS  54          2HZ       LYS  54  -9.289  -5.857   4.652
  400   3HZ   LYS  54          3HZ       LYS  54  -7.750  -6.354   4.499
  401    H    SER  55           H        SER  55 -11.387  -4.076  -1.497
  402    HA   SER  55           HA       SER  55 -14.047  -3.318  -2.217
  403   1HB   SER  55          1HB       SER  55 -13.058  -1.009  -1.968
  404   2HB   SER  55          2HB       SER  55 -11.850  -1.420  -3.195
  405    HG   SER  55           HG       SER  55 -13.739  -1.864  -4.587
  406    H    ASN  56           H        ASN  56 -10.619  -3.710  -3.274
  407    HA   ASN  56           HA       ASN  56 -11.558  -5.291  -5.624
  408   1HB   ASN  56          1HB       ASN  56  -9.676  -4.763  -6.755
  409   2HB   ASN  56          2HB       ASN  56  -9.947  -3.257  -5.878
  410   1HD2  ASN  56          1HD2      ASN  56  -8.474  -2.821  -3.965
  411   2HD2  ASN  56          2HD2      ASN  56  -7.039  -3.834  -3.759
  412    H    ASN  57           H        ASN  57  -9.394  -5.442  -2.720
  413    HA   ASN  57           HA       ASN  57  -8.329  -7.986  -3.586
  414   1HB   ASN  57          1HB       ASN  57  -8.073  -6.433  -1.005
  415   2HB   ASN  57          2HB       ASN  57  -7.300  -7.997  -1.274
  416   1HD2  ASN  57          1HD2      ASN  57  -5.627  -8.238  -2.978
  417   2HD2  ASN  57          2HD2      ASN  57  -4.824  -6.852  -3.594
  418    H    GLY  58           H        GLY  58  -9.589  -9.716  -3.649
  419   1HA   GLY  58          1HA       GLY  58 -11.742 -10.576  -2.197
  420   2HA   GLY  58          2HA       GLY  58 -10.475 -11.656  -2.791
  421    HA   PRO  59           HA       PRO  59  -9.198 -12.377   1.426
  422   1HB   PRO  59          1HB       PRO  59  -6.477 -12.052   1.591
  423   2HB   PRO  59          2HB       PRO  59  -7.253 -13.406   0.720
  424   1HG   PRO  59          1HG       PRO  59  -6.228 -10.809  -0.448
  425   2HG   PRO  59          2HG       PRO  59  -5.912 -12.469  -1.032
  426   1HD   PRO  59          1HD       PRO  59  -7.819 -10.901  -2.140
  427   2HD   PRO  59          2HD       PRO  59  -8.115 -12.647  -1.923
  428    H    THR  60           H        THR  60  -9.828 -11.062   3.033
  429    HA   THR  60           HA       THR  60  -9.442  -8.159   2.811
  430    HB   THR  60           HB       THR  60 -11.208  -8.414   4.736
  431    HG1  THR  60           HG1      THR  60 -12.212 -10.634   4.315
  432   1HG2  THR  60          1HG2      THR  60 -13.031  -8.820   3.143
  433   2HG2  THR  60          2HG2      THR  60 -11.798  -7.789   2.398
  434   3HG2  THR  60          3HG2      THR  60 -11.892  -9.504   1.970
  435    H    LYS  61           H        LYS  61  -9.583 -10.544   5.324
  436    HA   LYS  61           HA       LYS  61  -8.234  -9.611   7.484
  437   1HB   LYS  61          1HB       LYS  61  -7.586 -12.089   7.811
  438   2HB   LYS  61          2HB       LYS  61  -9.287 -11.695   7.627
  439   1HG   LYS  61          1HG       LYS  61  -9.544 -12.762   5.647
  440   2HG   LYS  61          2HG       LYS  61  -7.968 -12.305   5.019
  441   1HD   LYS  61          1HD       LYS  61  -6.926 -14.007   6.610
  442   2HD   LYS  61          2HD       LYS  61  -8.579 -14.559   6.962
  443   1HE   LYS  61          1HE       LYS  61  -8.928 -15.020   4.529
  444   2HE   LYS  61          2HE       LYS  61  -7.304 -14.405   4.168
  445   1HZ   LYS  61          1HZ       LYS  61  -7.886 -16.786   5.799
  446   2HZ   LYS  61          2HZ       LYS  61  -7.339 -16.775   4.250
  447   3HZ   LYS  61          3HZ       LYS  61  -6.386 -16.195   5.452
  448    H    CYS  62           H        CYS  62  -6.277 -12.045   5.925
  449    HA   CYS  62           HA       CYS  62  -3.979 -10.262   5.627
  450   1HB   CYS  62          1HB       CYS  62  -3.446 -12.985   6.695
  451   2HB   CYS  62          2HB       CYS  62  -2.490 -11.503   6.817
  452    H    GLY  63           H        GLY  63  -2.214 -11.654   4.480
  453   1HA   GLY  63          1HA       GLY  63  -1.697 -13.258   2.813
  454   2HA   GLY  63          2HA       GLY  63  -3.414 -13.506   2.464
  455    H    GLY  64           H        GLY  64  -4.106 -10.701   2.404
  456   1HA   GLY  64          1HA       GLY  64  -4.007  -9.910  -0.177
  457   2HA   GLY  64          2HA       GLY  64  -4.029  -8.784   1.197
  458    H    CYS  65           H        CYS  65  -1.500  -9.099   2.235
  459    HA   CYS  65           HA       CYS  65   0.130  -7.766   0.098
  460   1HB   CYS  65          1HB       CYS  65  -0.019  -7.065   3.001
  461   2HB   CYS  65          2HB       CYS  65   0.680  -6.097   1.694
  462    H    HIS  66           H        HIS  66   0.401  -9.373   3.324
  463    HA   HIS  66           HA       HIS  66   3.226  -9.807   3.074
  464   1HB   HIS  66          1HB       HIS  66   1.165 -11.202   4.823
  465   2HB   HIS  66          2HB       HIS  66   2.906 -11.364   4.971
  466    HD1  HIS  66           HND      HIS  66   4.219  -8.813   5.318
  467    HD2  HIS  66           HD       HIS  66   0.128  -9.236   6.320
  468    HE1  HIS  66           HE       HIS  66   3.579  -6.907   6.921
  469    H    ILE  67           H        ILE  67   3.972 -10.993   1.389
  470    HA   ILE  67           HA       ILE  67   2.685 -13.445   0.464
  471    HB   ILE  67           HB       ILE  67   5.507 -12.461  -0.140
  472   1HG1  ILE  67          1HG1      ILE  67   4.100 -11.871  -2.388
  473   2HG1  ILE  67          2HG1      ILE  67   2.852 -11.530  -1.189
  474   1HG2  ILE  67          1HG2      ILE  67   5.267 -13.868  -2.130
  475   2HG2  ILE  67          2HG2      ILE  67   5.020 -14.845  -0.681
  476   3HG2  ILE  67          3HG2      ILE  67   3.622 -14.326  -1.642
  477   1HD1  ILE  67          1HD1      ILE  67   4.194  -9.531  -1.755
  478   2HD1  ILE  67          2HD1      ILE  67   4.473  -9.952  -0.061
  479   3HD1  ILE  67          3HD1      ILE  67   5.685 -10.372  -1.281
  480    H    LYS  68           H        LYS  68   2.500 -14.498   2.585
  481    HA   LYS  68           HA       LYS  68   4.836 -16.155   3.049
  482   1HB   LYS  68          1HB       LYS  68   5.146 -14.198   4.592
  483   2HB   LYS  68          2HB       LYS  68   3.575 -14.557   5.308
  484   1HG   LYS  68          1HG       LYS  68   5.310 -15.366   6.732
  485   2HG   LYS  68          2HG       LYS  68   4.420 -16.722   6.141
  486   1HD   LYS  68          1HD       LYS  68   6.973 -15.745   4.739
  487   2HD   LYS  68          2HD       LYS  68   7.110 -16.614   6.257
  488   1HE   LYS  68          1HE       LYS  68   6.231 -17.696   3.561
  489   2HE   LYS  68          2HE       LYS  68   7.481 -18.268   4.663
  490   1HZ   LYS  68          1HZ       LYS  68   4.572 -18.486   4.956
  491   2HZ   LYS  68          2HZ       LYS  68   5.620 -19.716   4.755
  492   3HZ   LYS  68          3HZ       LYS  68   5.602 -18.870   6.187
  493    HHA  HEC  69           HCM      HEC  69   8.124   7.349  -1.835
  494    HHB  HEC  69           HDM      HEC  69   6.175  10.961  -6.659
  495    HHC  HEC  69           HAM      HEC  69   0.944   7.252  -7.207
  496    HHD  HEC  69           HBM      HEC  69   2.463   4.624  -1.593
  497   1HMA  HEC  69          HM81      HEC  69   9.663  11.034  -5.276
  498   2HMA  HEC  69          HM82      HEC  69   8.439  11.130  -6.531
  499   3HMA  HEC  69          HM83      HEC  69   8.275  12.118  -5.055
  500   1HAA  HEC  69          HP71      HEC  69  10.114  10.214  -3.273
  501   2HAA  HEC  69          HP72      HEC  69   9.693   8.927  -2.169
  502   1HBA  HEC  69          HP73      HEC  69  10.259   7.235  -3.805
  503   2HBA  HEC  69          HP74      HEC  69  10.449   8.455  -5.071
  504   1HMB  HEC  69          HM11      HEC  69   4.234  10.823  -9.673
  505   2HMB  HEC  69          HM12      HEC  69   3.491  11.976  -8.530
  506   3HMB  HEC  69          HM13      HEC  69   5.210  11.584  -8.433
  507    HAB  HEC  69          HT2A      HEC  69   0.781   8.814  -8.630
  508   1HBB  HEC  69          HT21      HEC  69   2.312   9.449 -10.554
  509   2HBB  HEC  69          HT22      HEC  69   0.671  10.098 -10.546
  510   3HBB  HEC  69          HT23      HEC  69   2.003  11.144 -10.084
  511   1HMC  HEC  69          HM31      HEC  69  -0.458   5.107  -6.747
  512   2HMC  HEC  69          HM32      HEC  69  -1.391   5.043  -5.249
  513   3HMC  HEC  69          HM33      HEC  69  -1.046   6.607  -5.985
  514    HAC  HEC  69          HT4A      HEC  69   0.442   4.271  -1.914
  515   1HBC  HEC  69          HT41      HEC  69  -0.878   2.472  -2.551
  516   2HBC  HEC  69          HT42      HEC  69  -1.200   3.119  -4.153
  517   3HBC  HEC  69          HT43      HEC  69   0.418   2.488  -3.757
  518   1HMD  HEC  69          HM51      HEC  69   3.817   4.637   0.796
  519   2HMD  HEC  69          HM52      HEC  69   3.959   3.349  -0.417
  520   3HMD  HEC  69          HM53      HEC  69   5.343   3.754   0.610
  521   1HAD  HEC  69          HP61      HEC  69   7.544   6.907   0.099
  522   2HAD  HEC  69          HP62      HEC  69   6.422   5.988   1.041
  523   1HBD  HEC  69          HP63      HEC  69   7.746   3.934   0.579
  524   2HBD  HEC  69          HP64      HEC  69   8.899   4.929  -0.343
  525    HHA  HEC  70           HCM      HEC  70  -2.856  -5.126  -6.312
  526    HHB  HEC  70           HDM      HEC  70   0.882  -4.060  -1.210
  527    HHC  HEC  70           HAM      HEC  70  -2.258   1.395  -0.147
  528    HHD  HEC  70           HBM      HEC  70  -6.205   0.114  -4.932
  529   1HMA  HEC  70          HM81      HEC  70   1.449  -6.851  -3.721
  530   2HMA  HEC  70          HM82      HEC  70   1.787  -5.737  -2.402
  531   3HMA  HEC  70          HM83      HEC  70   0.543  -6.992  -2.202
  532   1HAA  HEC  70          HP71      HEC  70  -1.378  -6.678  -6.314
  533   2HAA  HEC  70          HP72      HEC  70   0.222  -6.996  -5.688
  534   1HBA  HEC  70          HP73      HEC  70  -1.132  -8.947  -5.404
  535   2HBA  HEC  70          HP74      HEC  70  -0.808  -8.287  -3.800
  536   1HMB  HEC  70          HM11      HEC  70   1.599  -1.753   1.627
  537   2HMB  HEC  70          HM12      HEC  70   0.996  -3.332   1.110
  538   3HMB  HEC  70          HM13      HEC  70   2.246  -2.489   0.156
  539    HAB  HEC  70          HT2A      HEC  70  -0.790   1.264   1.261
  540   1HBB  HEC  70          HT21      HEC  70   1.314   2.043   1.678
  541   2HBB  HEC  70          HT22      HEC  70   2.067   0.450   1.530
  542   3HBB  HEC  70          HT23      HEC  70   1.493   1.314   0.087
  543   1HMC  HEC  70          HM31      HEC  70  -4.547   3.944  -1.823
  544   2HMC  HEC  70          HM32      HEC  70  -4.478   3.104  -0.258
  545   3HMC  HEC  70          HM33      HEC  70  -2.997   3.418  -1.166
  546    HAC  HEC  70          HT4A      HEC  70  -7.250   1.176  -3.160
  547   1HBC  HEC  70          HT41      HEC  70  -7.817   3.263  -4.275
  548   2HBC  HEC  70          HT42      HEC  70  -6.152   3.837  -4.092
  549   3HBC  HEC  70          HT43      HEC  70  -6.516   2.429  -5.129
  550   1HMD  HEC  70          HM51      HEC  70  -6.327  -1.254  -8.044
  551   2HMD  HEC  70          HM52      HEC  70  -7.327  -2.474  -7.242
  552   3HMD  HEC  70          HM53      HEC  70  -7.212  -0.861  -6.558
  553   1HAD  HEC  70          HP61      HEC  70  -4.550  -2.832  -8.727
  554   2HAD  HEC  70          HP62      HEC  70  -3.567  -4.186  -8.234
  555   1HBD  HEC  70          HP63      HEC  70  -5.400  -5.676  -8.247
  556   2HBD  HEC  70          HP64      HEC  70  -6.592  -4.374  -8.140
  557    HHA  HEC  71           HCM      HEC  71   4.248  -4.499   9.348
  558    HHB  HEC  71           HDM      HEC  71   0.593  -9.243  11.611
  559    HHC  HEC  71           HAM      HEC  71  -3.312  -8.525   6.618
  560    HHD  HEC  71           HBM      HEC  71   0.534  -4.145   4.146
  561   1HMA  HEC  71          HM81      HEC  71   1.626  -8.287  13.325
  562   2HMA  HEC  71          HM82      HEC  71   3.394  -8.488  13.199
  563   3HMA  HEC  71          HM83      HEC  71   2.699  -6.948  13.699
  564   1HAA  HEC  71          HP71      HEC  71   4.667  -4.776  11.575
  565   2HAA  HEC  71          HP72      HEC  71   4.627  -6.029  12.800
  566   1HBA  HEC  71          HP73      HEC  71   5.897  -6.409  10.075
  567   2HBA  HEC  71          HP74      HEC  71   6.780  -5.793  11.493
  568   1HMB  HEC  71          HM11      HEC  71  -1.829 -10.330  11.992
  569   2HMB  HEC  71          HM12      HEC  71  -2.289 -11.576  10.806
  570   3HMB  HEC  71          HM13      HEC  71  -0.586 -11.318  11.183
  571    HAB  HEC  71          HT2A      HEC  71  -4.359  -9.460   8.187
  572   1HBB  HEC  71          HT21      HEC  71  -5.639  -9.866  10.132
  573   2HBB  HEC  71          HT22      HEC  71  -4.201 -10.228  11.095
  574   3HBB  HEC  71          HT23      HEC  71  -4.459  -8.586  10.469
  575   1HMC  HEC  71          HM31      HEC  71  -3.365  -8.537   4.276
  576   2HMC  HEC  71          HM32      HEC  71  -4.504  -7.284   4.811
  577   3HMC  HEC  71          HM33      HEC  71  -3.705  -7.170   3.222
  578    HAC  HEC  71          HT4A      HEC  71  -1.216  -4.139   3.006
  579   1HBC  HEC  71          HT41      HEC  71  -3.408  -3.677   2.172
  580   2HBC  HEC  71          HT42      HEC  71  -4.117  -5.002   3.105
  581   3HBC  HEC  71          HT43      HEC  71  -3.409  -3.616   3.946
  582   1HMD  HEC  71          HM51      HEC  71   3.221  -1.705   4.898
  583   2HMD  HEC  71          HM52      HEC  71   3.674  -3.183   4.063
  584   3HMD  HEC  71          HM53      HEC  71   2.008  -2.569   3.961
  585   1HAD  HEC  71          HP61      HEC  71   4.673  -1.940   6.549
  586   2HAD  HEC  71          HP62      HEC  71   4.318  -2.373   8.214
  587   1HBD  HEC  71          HP63      HEC  71   5.679  -4.584   7.327
  588   2HBD  HEC  71          HP64      HEC  71   6.521  -3.261   6.507
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1   6.131   5.333  -7.339
    2   2H    ALA   1          2H        ALA   1   6.864   6.748  -7.089
    3   3H    ALA   1          3H        ALA   1   5.889   6.502  -8.397
    4    HA   ALA   1           HA       ALA   1   7.861   6.148  -9.481
    5   1HB   ALA   1          1HB       ALA   1   9.860   5.281  -8.423
    6   2HB   ALA   1          2HB       ALA   1   9.175   6.549  -7.401
    7   3HB   ALA   1          3HB       ALA   1   8.968   4.842  -6.956
    8    H    ASP   2           H        ASP   2   9.232   3.573  -9.508
    9    HA   ASP   2           HA       ASP   2   7.060   1.721 -10.087
   10   1HB   ASP   2          1HB       ASP   2   8.899   0.418 -11.112
   11   2HB   ASP   2          2HB       ASP   2   8.919   2.083 -11.691
   12    H    VAL   3           H        VAL   3   7.992  -0.603  -9.631
   13    HA   VAL   3           HA       VAL   3   6.620  -0.912  -7.236
   14    HB   VAL   3           HB       VAL   3   8.208  -2.974  -8.813
   15   1HG1  VAL   3          1HG1      VAL   3   5.954  -3.318  -6.784
   16   2HG1  VAL   3          2HG1      VAL   3   6.607  -4.600  -7.820
   17   3HG1  VAL   3          3HG1      VAL   3   7.634  -3.857  -6.589
   18   1HG2  VAL   3          1HG2      VAL   3   6.570  -1.895 -10.265
   19   2HG2  VAL   3          2HG2      VAL   3   5.909  -3.458  -9.783
   20   3HG2  VAL   3          3HG2      VAL   3   5.336  -1.976  -8.999
   21    H    VAL   4           H        VAL   4   7.213  -0.849  -5.173
   22    HA   VAL   4           HA       VAL   4  10.010  -1.532  -4.374
   23    HB   VAL   4           HB       VAL   4   8.085   0.504  -3.257
   24   1HG1  VAL   4          1HG1      VAL   4   9.078  -0.696  -1.298
   25   2HG1  VAL   4          2HG1      VAL   4  10.687  -0.534  -2.013
   26   3HG1  VAL   4          3HG1      VAL   4   9.799   0.899  -1.464
   27   1HG2  VAL   4          1HG2      VAL   4   9.965   2.033  -3.554
   28   2HG2  VAL   4          2HG2      VAL   4  10.959   0.703  -4.192
   29   3HG2  VAL   4          3HG2      VAL   4   9.535   1.266  -5.093
   30    H    THR   5           H        THR   5  10.105  -2.584  -2.315
   31    HA   THR   5           HA       THR   5   7.556  -3.512  -1.314
   32    HB   THR   5           HB       THR   5   8.447  -5.558  -2.348
   33    HG1  THR   5           HG1      THR   5   7.897  -5.336   0.071
   34   1HG2  THR   5          1HG2      THR   5  10.826  -4.944  -2.634
   35   2HG2  THR   5          2HG2      THR   5  11.068  -5.033  -0.873
   36   3HG2  THR   5          3HG2      THR   5  10.657  -6.490  -1.789
   37    H    TYR   6           H        TYR   6   7.346  -3.440   0.805
   38    HA   TYR   6           HA       TYR   6   9.382  -2.042   2.427
   39   1HB   TYR   6          1HB       TYR   6   6.834  -3.293   3.416
   40   2HB   TYR   6          2HB       TYR   6   7.817  -2.061   4.191
   41    HD1  TYR   6           HD1      TYR   6   7.879   0.256   2.938
   42    HD2  TYR   6           HD2      TYR   6   5.280  -2.876   1.764
   43    HE1  TYR   6           HE1      TYR   6   6.377   1.893   1.787
   44    HE2  TYR   6           HE2      TYR   6   3.637  -1.261   0.867
   45    HH   TYR   6           HH       TYR   6   3.965   0.891  -0.217
   46    H    GLU   7           H        GLU   7  11.064  -3.525   2.431
   47    HA   GLU   7           HA       GLU   7  10.699  -6.346   2.927
   48   1HB   GLU   7          1HB       GLU   7  12.644  -5.056   1.920
   49   2HB   GLU   7          2HB       GLU   7  13.075  -4.699   3.620
   50   1HG   GLU   7          1HG       GLU   7  12.786  -7.412   2.340
   51   2HG   GLU   7          2HG       GLU   7  14.325  -6.574   2.542
   52    H    ASN   8           H        ASN   8  10.603  -7.337   4.924
   53    HA   ASN   8           HA       ASN   8  10.939  -6.045   7.450
   54   1HB   ASN   8          1HB       ASN   8   8.644  -5.948   8.172
   55   2HB   ASN   8          2HB       ASN   8   8.755  -5.032   6.668
   56   1HD2  ASN   8          1HD2      ASN   8   7.074  -5.535   5.225
   57   2HD2  ASN   8          2HD2      ASN   8   6.515  -7.202   4.937
   58    H    LYS   9           H        LYS   9   9.899  -7.715   9.179
   59    HA   LYS   9           HA       LYS   9  11.383 -10.141   8.404
   60   1HB   LYS   9          1HB       LYS   9  11.999  -8.726  10.323
   61   2HB   LYS   9          2HB       LYS   9  10.482  -9.114  11.128
   62   1HG   LYS   9          1HG       LYS   9  11.037 -11.357  11.459
   63   2HG   LYS   9          2HG       LYS   9  12.230 -11.406  10.174
   64   1HD   LYS   9          1HD       LYS   9  12.486  -9.970  12.862
   65   2HD   LYS   9          2HD       LYS   9  13.298 -11.465  12.401
   66   1HE   LYS   9          1HE       LYS   9  13.853  -8.623  11.465
   67   2HE   LYS   9          2HE       LYS   9  14.953  -9.785  12.192
   68   1HZ   LYS   9          1HZ       LYS   9  13.821  -9.948   9.477
   69   2HZ   LYS   9          2HZ       LYS   9  15.364  -9.550   9.857
   70   3HZ   LYS   9          3HZ       LYS   9  14.822 -11.077  10.145
   71    H    LYS  10           H        LYS  10   8.202  -9.049   9.540
   72    HA   LYS  10           HA       LYS  10   6.899 -11.562   9.864
   73   1HB   LYS  10          1HB       LYS  10   5.751  -9.575  10.420
   74   2HB   LYS  10          2HB       LYS  10   6.004  -8.876   8.823
   75   1HG   LYS  10          1HG       LYS  10   3.696  -9.410   9.146
   76   2HG   LYS  10          2HG       LYS  10   4.395 -10.276   7.792
   77   1HD   LYS  10          1HD       LYS  10   2.855 -11.686   9.092
   78   2HD   LYS  10          2HD       LYS  10   4.483 -12.364   9.046
   79   1HE   LYS  10          1HE       LYS  10   4.927 -11.437  11.341
   80   2HE   LYS  10          2HE       LYS  10   3.271 -10.808  11.378
   81   1HZ   LYS  10          1HZ       LYS  10   4.069 -13.638  11.158
   82   2HZ   LYS  10          2HZ       LYS  10   3.489 -12.907  12.509
   83   3HZ   LYS  10          3HZ       LYS  10   2.512 -13.099  11.197
   84    H    GLY  11           H        GLY  11   7.637  -9.775   6.899
   85   1HA   GLY  11          1HA       GLY  11   7.966 -11.703   5.001
   86   2HA   GLY  11          2HA       GLY  11   6.199 -11.593   5.148
   87    H    ASN  12           H        ASN  12   8.867 -10.265   3.686
   88    HA   ASN  12           HA       ASN  12   8.820  -7.548   3.225
   89   1HB   ASN  12          1HB       ASN  12   8.896  -9.738   1.157
   90   2HB   ASN  12          2HB       ASN  12   9.369  -8.060   0.916
   91   1HD2  ASN  12          1HD2      ASN  12  10.291  -8.953   4.138
   92   2HD2  ASN  12          2HD2      ASN  12  11.974  -9.137   3.736
   93    H    VAL  13           H        VAL  13   7.084  -6.197   2.694
   94    HA   VAL  13           HA       VAL  13   4.612  -7.328   1.458
   95    HB   VAL  13           HB       VAL  13   5.136  -4.692   2.840
   96   1HG1  VAL  13          1HG1      VAL  13   2.850  -5.714   1.123
   97   2HG1  VAL  13          2HG1      VAL  13   2.520  -4.548   2.411
   98   3HG1  VAL  13          3HG1      VAL  13   3.591  -4.115   1.065
   99   1HG2  VAL  13          1HG2      VAL  13   3.613  -5.426   4.469
  100   2HG2  VAL  13          2HG2      VAL  13   3.147  -6.853   3.522
  101   3HG2  VAL  13          3HG2      VAL  13   4.780  -6.717   4.218
  102    H    THR  14           H        THR  14   4.463  -7.212  -0.707
  103    HA   THR  14           HA       THR  14   6.095  -5.221  -2.210
  104    HB   THR  14           HB       THR  14   4.320  -7.488  -3.185
  105    HG1  THR  14           HG1      THR  14   6.323  -7.969  -1.983
  106   1HG2  THR  14          1HG2      THR  14   6.340  -5.711  -4.642
  107   2HG2  THR  14          2HG2      THR  14   5.564  -7.155  -5.321
  108   3HG2  THR  14          3HG2      THR  14   4.582  -5.738  -4.919
  109    H    PHE  15           H        PHE  15   5.158  -3.453  -3.262
  110    HA   PHE  15           HA       PHE  15   2.193  -3.317  -3.384
  111   1HB   PHE  15          1HB       PHE  15   2.232  -0.950  -2.833
  112   2HB   PHE  15          2HB       PHE  15   2.740  -1.949  -1.482
  113    HD1  PHE  15           HD1      PHE  15   5.293  -2.262  -1.081
  114    HD2  PHE  15           HD2      PHE  15   3.585   0.951  -3.408
  115    HE1  PHE  15           HE1      PHE  15   7.090  -0.767  -0.340
  116    HE2  PHE  15           HE2      PHE  15   5.449   2.431  -2.708
  117    HZ   PHE  15           HZ       PHE  15   7.150   1.581  -1.073
  118    H    ASP  16           H        ASP  16   1.656  -3.097  -5.488
  119    HA   ASP  16           HA       ASP  16   3.773  -2.627  -7.404
  120   1HB   ASP  16          1HB       ASP  16   1.925  -4.248  -7.765
  121   2HB   ASP  16          2HB       ASP  16   0.828  -2.887  -8.035
  122    H    HIS  17           H        HIS  17   4.344  -0.654  -6.525
  123    HA   HIS  17           HA       HIS  17   3.083   1.695  -6.150
  124   1HB   HIS  17          1HB       HIS  17   5.544   0.918  -5.896
  125   2HB   HIS  17          2HB       HIS  17   5.759   1.427  -7.558
  126    HD1  HIS  17           HND      HIS  17   7.636   2.733  -5.811
  127    HD2  HIS  17           HD       HIS  17   3.688   4.103  -6.225
  128    HE1  HIS  17           HE       HIS  17   7.587   5.119  -4.848
  129    H    LYS  18           H        LYS  18   4.689   0.860  -9.254
  130    HA   LYS  18           HA       LYS  18   3.751   3.106 -10.687
  131   1HB   LYS  18          1HB       LYS  18   5.639   2.090 -11.533
  132   2HB   LYS  18          2HB       LYS  18   4.944   0.445 -11.525
  133   1HG   LYS  18          1HG       LYS  18   3.503   1.050 -13.405
  134   2HG   LYS  18          2HG       LYS  18   3.946   2.753 -13.212
  135   1HD   LYS  18          1HD       LYS  18   6.294   2.197 -13.811
  136   2HD   LYS  18          2HD       LYS  18   5.833   0.475 -13.925
  137   1HE   LYS  18          1HE       LYS  18   4.246   1.005 -15.760
  138   2HE   LYS  18          2HE       LYS  18   4.615   2.728 -15.620
  139   1HZ   LYS  18          1HZ       LYS  18   5.778   1.712 -17.422
  140   2HZ   LYS  18          2HZ       LYS  18   6.870   2.223 -16.299
  141   3HZ   LYS  18          3HZ       LYS  18   6.504   0.619 -16.430
  142    H    ALA  19           H        ALA  19   2.542  -0.339 -10.769
  143    HA   ALA  19           HA       ALA  19   0.382   0.068 -12.489
  144   1HB   ALA  19          1HB       ALA  19  -0.790  -1.691 -11.261
  145   2HB   ALA  19          2HB       ALA  19   0.921  -2.106 -11.520
  146   3HB   ALA  19          3HB       ALA  19   0.355  -1.482  -9.924
  147    H    HIS  20           H        HIS  20   0.394   0.545  -8.910
  148    HA   HIS  20           HA       HIS  20  -2.305   1.477  -8.680
  149   1HB   HIS  20          1HB       HIS  20   0.201   1.905  -7.007
  150   2HB   HIS  20          2HB       HIS  20  -1.324   2.679  -6.623
  151    HD1  HIS  20           HND      HIS  20  -0.148  -0.958  -7.202
  152    HD2  HIS  20           HD       HIS  20  -2.781   1.375  -4.915
  153    HE1  HIS  20           HE       HIS  20  -1.323  -2.551  -5.561
  154    H    ALA  21           H        ALA  21   0.752   3.018  -9.541
  155    HA   ALA  21           HA       ALA  21  -0.220   5.739  -9.404
  156   1HB   ALA  21          1HB       ALA  21   2.029   4.824 -11.224
  157   2HB   ALA  21          2HB       ALA  21   1.739   6.407 -10.517
  158   3HB   ALA  21          3HB       ALA  21   2.220   5.038  -9.477
  159    H    GLU  22           H        GLU  22   0.119   3.538 -12.216
  160    HA   GLU  22           HA       GLU  22  -1.074   5.520 -13.980
  161   1HB   GLU  22          1HB       GLU  22  -0.947   3.807 -15.737
  162   2HB   GLU  22          2HB       GLU  22   0.576   4.151 -14.911
  163   1HG   GLU  22          1HG       GLU  22   0.169   2.036 -13.538
  164   2HG   GLU  22          2HG       GLU  22  -1.143   1.663 -14.660
  165    H    LYS  23           H        LYS  23  -2.315   2.581 -12.382
  166    HA   LYS  23           HA       LYS  23  -4.923   2.653 -13.513
  167   1HB   LYS  23          1HB       LYS  23  -3.885   1.636 -10.834
  168   2HB   LYS  23          2HB       LYS  23  -5.490   1.291 -11.462
  169   1HG   LYS  23          1HG       LYS  23  -2.918   0.515 -12.948
  170   2HG   LYS  23          2HG       LYS  23  -3.764  -0.515 -11.785
  171   1HD   LYS  23          1HD       LYS  23  -5.860  -0.136 -13.248
  172   2HD   LYS  23          2HD       LYS  23  -4.772   0.583 -14.441
  173   1HE   LYS  23          1HE       LYS  23  -5.164  -1.703 -15.069
  174   2HE   LYS  23          2HE       LYS  23  -3.478  -1.556 -14.552
  175   1HZ   LYS  23          1HZ       LYS  23  -4.700  -3.543 -13.662
  176   2HZ   LYS  23          2HZ       LYS  23  -4.074  -2.623 -12.462
  177   3HZ   LYS  23          3HZ       LYS  23  -5.615  -2.542 -12.719
  178    H    LEU  24           H        LEU  24  -3.650   4.094 -10.440
  179    HA   LEU  24           HA       LEU  24  -6.326   5.231  -9.920
  180   1HB   LEU  24          1HB       LEU  24  -3.850   5.396  -8.190
  181   2HB   LEU  24          2HB       LEU  24  -5.517   5.703  -7.739
  182    HG   LEU  24           HG       LEU  24  -4.518   2.945  -8.621
  183   1HD1  LEU  24          1HD1      LEU  24  -3.352   3.561  -6.626
  184   2HD1  LEU  24          2HD1      LEU  24  -4.810   4.179  -5.872
  185   3HD1  LEU  24          3HD1      LEU  24  -4.646   2.434  -6.170
  186   1HD2  LEU  24          1HD2      LEU  24  -7.126   3.939  -7.409
  187   2HD2  LEU  24          2HD2      LEU  24  -6.888   3.130  -8.971
  188   3HD2  LEU  24          3HD2      LEU  24  -6.639   2.232  -7.466
  189    H    GLY  25           H        GLY  25  -2.942   6.404 -10.452
  190   1HA   GLY  25          1HA       GLY  25  -3.060   8.424 -11.939
  191   2HA   GLY  25          2HA       GLY  25  -3.903   9.227 -10.602
  192    H    CYS  26           H        CYS  26  -2.831   9.060  -8.522
  193    HA   CYS  26           HA       CYS  26  -0.176   8.698  -7.829
  194   1HB   CYS  26          1HB       CYS  26  -0.063  10.682  -9.791
  195   2HB   CYS  26          2HB       CYS  26  -0.361  11.635  -8.363
  196    H    ASP  27           H        ASP  27  -2.812  10.959  -7.961
  197    HA   ASP  27           HA       ASP  27  -2.647  12.473  -5.683
  198   1HB   ASP  27          1HB       ASP  27  -5.264  11.447  -6.876
  199   2HB   ASP  27          2HB       ASP  27  -4.932  13.024  -6.156
  200    H    ALA  28           H        ALA  28  -3.991   9.342  -6.245
  201    HA   ALA  28           HA       ALA  28  -5.482   8.616  -4.092
  202   1HB   ALA  28          1HB       ALA  28  -4.568   6.308  -4.532
  203   2HB   ALA  28          2HB       ALA  28  -5.049   7.187  -6.007
  204   3HB   ALA  28          3HB       ALA  28  -3.331   7.046  -5.577
  205    H    CYS  29           H        CYS  29  -1.945   8.914  -4.202
  206    HA   CYS  29           HA       CYS  29  -1.784   8.273  -1.266
  207   1HB   CYS  29          1HB       CYS  29   0.260   7.644  -3.390
  208   2HB   CYS  29          2HB       CYS  29   0.289   7.159  -1.682
  209    H    HIS  30           H        HIS  30  -0.305  10.028  -4.044
  210    HA   HIS  30           HA       HIS  30   1.367  11.567  -2.122
  211   1HB   HIS  30          1HB       HIS  30   1.378  11.310  -5.142
  212   2HB   HIS  30          2HB       HIS  30   2.425  12.396  -4.242
  213    HD1  HIS  30           HND      HIS  30   3.821  10.966  -2.138
  214    HD2  HIS  30           HD       HIS  30   2.519   8.994  -5.582
  215    HE1  HIS  30           HE       HIS  30   5.283   8.823  -2.405
  216    H    GLU  31           H        GLU  31  -0.856  12.382  -1.389
  217    HA   GLU  31           HA       GLU  31  -2.129  14.459  -2.903
  218   1HB   GLU  31          1HB       GLU  31  -1.960  14.458   0.169
  219   2HB   GLU  31          2HB       GLU  31  -3.189  15.125  -0.903
  220   1HG   GLU  31          1HG       GLU  31  -3.558  12.733  -1.664
  221   2HG   GLU  31          2HG       GLU  31  -2.611  12.208  -0.267
  222    H    GLY  32           H        GLY  32   0.016  14.662  -0.179
  223   1HA   GLY  32          1HA       GLY  32   0.426  17.496  -0.304
  224   2HA   GLY  32          2HA       GLY  32   1.337  16.373   0.717
  225    H    THR  33           H        THR  33   2.960  14.948  -0.604
  226    HA   THR  33           HA       THR  33   4.115  16.004  -2.981
  227    HB   THR  33           HB       THR  33   4.868  17.834  -1.541
  228    HG1  THR  33           HG1      THR  33   6.429  17.325  -2.924
  229   1HG2  THR  33          1HG2      THR  33   6.117  15.742   0.291
  230   2HG2  THR  33          2HG2      THR  33   6.283  17.499   0.413
  231   3HG2  THR  33          3HG2      THR  33   4.704  16.747   0.683
  232    HA   PRO  34           HA       PRO  34   5.618  11.787  -2.331
  233   1HB   PRO  34          1HB       PRO  34   7.079  11.350  -4.515
  234   2HB   PRO  34          2HB       PRO  34   5.335  11.679  -4.665
  235   1HG   PRO  34          1HG       PRO  34   7.598  13.670  -4.916
  236   2HG   PRO  34          2HG       PRO  34   6.260  13.375  -6.071
  237   1HD   PRO  34          1HD       PRO  34   6.145  15.381  -4.237
  238   2HD   PRO  34          2HD       PRO  34   4.690  14.439  -4.678
  239    H    ALA  35           H        ALA  35   6.746  13.415  -0.563
  240    HA   ALA  35           HA       ALA  35   9.700  13.114  -0.711
  241   1HB   ALA  35          1HB       ALA  35   7.849  14.177   1.457
  242   2HB   ALA  35          2HB       ALA  35   9.630  14.231   1.473
  243   3HB   ALA  35          3HB       ALA  35   8.720  15.147   0.246
  244    H    LYS  36           H        LYS  36   8.746  10.780  -1.186
  245    HA   LYS  36           HA       LYS  36   8.171   8.673  -0.632
  246   1HB   LYS  36          1HB       LYS  36   9.165   9.161   2.210
  247   2HB   LYS  36          2HB       LYS  36   8.886   7.627   1.401
  248   1HG   LYS  36          1HG       LYS  36  10.701   8.685  -0.317
  249   2HG   LYS  36          2HG       LYS  36  11.221   9.435   1.200
  250   1HD   LYS  36          1HD       LYS  36  10.784   6.473   0.608
  251   2HD   LYS  36          2HD       LYS  36  12.349   7.249   0.836
  252   1HE   LYS  36          1HE       LYS  36  11.989   7.544   3.193
  253   2HE   LYS  36          2HE       LYS  36  10.261   7.239   3.083
  254   1HZ   LYS  36          1HZ       LYS  36  12.212   5.128   2.533
  255   2HZ   LYS  36          2HZ       LYS  36  11.357   5.326   3.945
  256   3HZ   LYS  36          3HZ       LYS  36  10.596   5.026   2.533
  257    H    ILE  37           H        ILE  37   6.921   7.526   1.519
  258    HA   ILE  37           HA       ILE  37   4.743   9.419   2.400
  259    HB   ILE  37           HB       ILE  37   4.486   6.428   1.907
  260   1HG1  ILE  37          1HG1      ILE  37   4.661   7.674  -0.153
  261   2HG1  ILE  37          2HG1      ILE  37   3.115   6.863   0.065
  262   1HG2  ILE  37          1HG2      ILE  37   2.025   6.910   2.267
  263   2HG2  ILE  37          2HG2      ILE  37   3.034   7.000   3.715
  264   3HG2  ILE  37          3HG2      ILE  37   2.500   8.491   2.922
  265   1HD1  ILE  37          1HD1      ILE  37   3.564   9.858   0.352
  266   2HD1  ILE  37          2HD1      ILE  37   2.644   9.002  -0.904
  267   3HD1  ILE  37          3HD1      ILE  37   2.044   9.024   0.744
  268    H    ALA  38           H        ALA  38   6.322   6.419   3.040
  269    HA   ALA  38           HA       ALA  38   7.190   5.374   4.865
  270   1HB   ALA  38          1HB       ALA  38   7.388   6.323   7.013
  271   2HB   ALA  38          2HB       ALA  38   7.861   7.544   5.772
  272   3HB   ALA  38          3HB       ALA  38   6.287   7.651   6.629
  273    H    ILE  39           H        ILE  39   5.267   4.227   3.979
  274    HA   ILE  39           HA       ILE  39   2.921   3.929   5.702
  275    HB   ILE  39           HB       ILE  39   4.285   2.201   3.608
  276   1HG1  ILE  39          1HG1      ILE  39   3.437   4.351   2.728
  277   2HG1  ILE  39          2HG1      ILE  39   2.619   2.943   2.088
  278   1HG2  ILE  39          1HG2      ILE  39   1.575   1.844   4.907
  279   2HG2  ILE  39          2HG2      ILE  39   2.183   0.917   3.517
  280   3HG2  ILE  39          3HG2      ILE  39   2.995   0.808   5.087
  281   1HD1  ILE  39          1HD1      ILE  39   0.675   3.391   3.582
  282   2HD1  ILE  39          2HD1      ILE  39   1.505   4.834   4.204
  283   3HD1  ILE  39          3HD1      ILE  39   1.029   4.737   2.502
  284    H    ASP  40           H        ASP  40   2.962   3.124   7.540
  285    HA   ASP  40           HA       ASP  40   5.072   1.247   8.534
  286   1HB   ASP  40          1HB       ASP  40   4.351   3.464   9.804
  287   2HB   ASP  40          2HB       ASP  40   3.006   2.486  10.373
  288    H    LYS  41           H        LYS  41   3.895  -0.145  10.239
  289    HA   LYS  41           HA       LYS  41   2.105  -1.981   8.944
  290   1HB   LYS  41          1HB       LYS  41   2.100  -3.145  11.066
  291   2HB   LYS  41          2HB       LYS  41   3.717  -2.652  10.595
  292   1HG   LYS  41          1HG       LYS  41   3.293  -0.630  12.228
  293   2HG   LYS  41          2HG       LYS  41   2.052  -1.666  12.908
  294   1HD   LYS  41          1HD       LYS  41   3.572  -3.205  13.726
  295   2HD   LYS  41          2HD       LYS  41   4.768  -2.926  12.468
  296   1HE   LYS  41          1HE       LYS  41   4.184  -0.882  14.647
  297   2HE   LYS  41          2HE       LYS  41   5.435  -2.128  14.769
  298   1HZ   LYS  41          1HZ       LYS  41   6.502  -1.214  12.828
  299   2HZ   LYS  41          2HZ       LYS  41   5.355  -0.083  12.633
  300   3HZ   LYS  41          3HZ       LYS  41   6.318  -0.023  13.947
  301    H    LYS  42           H        LYS  42   1.575   0.343  11.652
  302    HA   LYS  42           HA       LYS  42  -1.215   0.112  11.800
  303   1HB   LYS  42          1HB       LYS  42   0.115   1.224  13.493
  304   2HB   LYS  42          2HB       LYS  42   0.720   2.419  12.322
  305   1HG   LYS  42          1HG       LYS  42  -1.452   3.372  12.032
  306   2HG   LYS  42          2HG       LYS  42  -2.220   2.024  12.893
  307   1HD   LYS  42          1HD       LYS  42  -2.191   4.009  14.299
  308   2HD   LYS  42          2HD       LYS  42  -1.181   2.737  15.010
  309   1HE   LYS  42          1HE       LYS  42   0.866   3.848  14.175
  310   2HE   LYS  42          2HE       LYS  42  -0.105   5.050  13.307
  311   1HZ   LYS  42          1HZ       LYS  42  -0.898   5.848  15.422
  312   2HZ   LYS  42          2HZ       LYS  42  -0.018   4.716  16.235
  313   3HZ   LYS  42          3HZ       LYS  42   0.743   5.892  15.374
  314    H    SER  43           H        SER  43   0.784   2.565   9.985
  315    HA   SER  43           HA       SER  43  -1.538   3.605   8.662
  316   1HB   SER  43          1HB       SER  43   1.370   4.013   8.134
  317   2HB   SER  43          2HB       SER  43   0.003   5.098   7.781
  318    HG   SER  43           HG       SER  43   1.176   5.702   9.744
  319    H    ALA  44           H        ALA  44  -0.657   0.905   8.073
  320    HA   ALA  44           HA       ALA  44  -1.140   0.854   5.131
  321   1HB   ALA  44          1HB       ALA  44  -0.081  -1.438   5.248
  322   2HB   ALA  44          2HB       ALA  44   1.078  -0.179   5.734
  323   3HB   ALA  44          3HB       ALA  44   0.306  -1.161   6.960
  324    H    HIS  45           H        HIS  45  -1.551  -0.690   8.286
  325    HA   HIS  45           HA       HIS  45  -3.624  -2.547   7.402
  326   1HB   HIS  45          1HB       HIS  45  -2.717  -1.717  10.180
  327   2HB   HIS  45          2HB       HIS  45  -3.829  -3.036   9.822
  328    HD1  HIS  45           HND      HIS  45  -1.451  -3.768  11.444
  329    HD2  HIS  45           HD       HIS  45  -1.465  -3.838   7.231
  330    HE1  HIS  45           HE       HIS  45   0.289  -5.457  10.733
  331    H    LYS  46           H        LYS  46  -3.546   0.739   8.652
  332    HA   LYS  46           HA       LYS  46  -6.383   0.890   8.063
  333   1HB   LYS  46          1HB       LYS  46  -6.480   0.291  10.455
  334   2HB   LYS  46          2HB       LYS  46  -5.320   1.563  10.835
  335   1HG   LYS  46          1HG       LYS  46  -7.549   2.309  11.441
  336   2HG   LYS  46          2HG       LYS  46  -6.896   3.300  10.162
  337   1HD   LYS  46          1HD       LYS  46  -9.184   2.939   9.601
  338   2HD   LYS  46          2HD       LYS  46  -8.235   2.016   8.464
  339   1HE   LYS  46          1HE       LYS  46 -10.096   0.670   9.096
  340   2HE   LYS  46          2HE       LYS  46  -8.653  -0.073   9.784
  341   1HZ   LYS  46          1HZ       LYS  46 -10.558   1.661  11.233
  342   2HZ   LYS  46          2HZ       LYS  46 -10.480   0.023  11.349
  343   3HZ   LYS  46          3HZ       LYS  46  -9.232   0.942  11.895
  344    H    ASP  47           H        ASP  47  -6.576   2.608   6.857
  345    HA   ASP  47           HA       ASP  47  -6.784   4.732   6.351
  346   1HB   ASP  47          1HB       ASP  47  -6.261   5.185   8.905
  347   2HB   ASP  47          2HB       ASP  47  -4.693   5.725   8.286
  348    H    ALA  48           H        ALA  48  -4.892   2.736   5.404
  349    HA   ALA  48           HA       ALA  48  -3.813   4.508   3.327
  350   1HB   ALA  48          1HB       ALA  48  -2.340   2.618   5.161
  351   2HB   ALA  48          2HB       ALA  48  -1.655   3.078   3.559
  352   3HB   ALA  48          3HB       ALA  48  -1.964   4.310   4.803
  353    H    CYS  49           H        CYS  49  -2.806   1.218   3.651
  354    HA   CYS  49           HA       CYS  49  -3.918   0.564   1.090
  355   1HB   CYS  49          1HB       CYS  49  -3.010  -1.522   3.025
  356   2HB   CYS  49          2HB       CYS  49  -2.847  -1.500   1.291
  357    H    LYS  50           H        LYS  50  -4.551  -0.787   4.361
  358    HA   LYS  50           HA       LYS  50  -7.108  -1.934   3.478
  359   1HB   LYS  50          1HB       LYS  50  -5.505  -3.154   4.824
  360   2HB   LYS  50          2HB       LYS  50  -5.643  -1.970   6.115
  361   1HG   LYS  50          1HG       LYS  50  -7.933  -2.667   6.575
  362   2HG   LYS  50          2HG       LYS  50  -7.979  -3.647   5.088
  363   1HD   LYS  50          1HD       LYS  50  -6.175  -5.089   5.986
  364   2HD   LYS  50          2HD       LYS  50  -6.096  -4.086   7.452
  365   1HE   LYS  50          1HE       LYS  50  -8.412  -4.702   8.038
  366   2HE   LYS  50          2HE       LYS  50  -8.579  -5.629   6.535
  367   1HZ   LYS  50          1HZ       LYS  50  -6.882  -7.121   7.320
  368   2HZ   LYS  50          2HZ       LYS  50  -6.682  -6.251   8.705
  369   3HZ   LYS  50          3HZ       LYS  50  -8.100  -7.034   8.418
  370    H    THR  51           H        THR  51  -7.287   0.556   2.996
  371    HA   THR  51           HA       THR  51  -9.689   1.269   4.407
  372    HB   THR  51           HB       THR  51  -7.375   3.269   4.276
  373    HG1  THR  51           HG1      THR  51  -8.376   3.512   6.501
  374   1HG2  THR  51          1HG2      THR  51  -9.389   4.411   3.420
  375   2HG2  THR  51          2HG2      THR  51 -10.334   3.805   4.800
  376   3HG2  THR  51          3HG2      THR  51  -9.014   4.968   5.049
  377    H    CYS  52           H        CYS  52  -7.205   2.512   2.065
  378    HA   CYS  52           HA       CYS  52  -9.052   3.441   0.144
  379   1HB   CYS  52          1HB       CYS  52  -6.556   3.814   0.463
  380   2HB   CYS  52          2HB       CYS  52  -6.314   2.305  -0.427
  381    H    HIS  53           H        HIS  53  -7.530   0.232   0.591
  382    HA   HIS  53           HA       HIS  53  -8.438  -0.942  -1.777
  383   1HB   HIS  53          1HB       HIS  53  -7.788  -2.095   0.970
  384   2HB   HIS  53          2HB       HIS  53  -8.295  -3.128  -0.368
  385    HD1  HIS  53           HND      HIS  53  -5.550  -3.883   0.504
  386    HD2  HIS  53           HD       HIS  53  -6.378  -0.911  -2.345
  387    HE1  HIS  53           HE       HIS  53  -3.521  -3.666  -1.017
  388    H    LYS  54           H        LYS  54 -10.585  -0.063   0.757
  389    HA   LYS  54           HA       LYS  54 -12.406  -1.868   1.266
  390   1HB   LYS  54          1HB       LYS  54 -12.797   0.903   0.209
  391   2HB   LYS  54          2HB       LYS  54 -14.208  -0.101   0.588
  392   1HG   LYS  54          1HG       LYS  54 -13.685  -0.306   2.868
  393   2HG   LYS  54          2HG       LYS  54 -11.990   0.096   2.623
  394   1HD   LYS  54          1HD       LYS  54 -13.008   1.963   3.686
  395   2HD   LYS  54          2HD       LYS  54 -12.591   2.414   2.026
  396   1HE   LYS  54          1HE       LYS  54 -14.974   2.017   1.328
  397   2HE   LYS  54          2HE       LYS  54 -15.383   1.603   3.002
  398   1HZ   LYS  54          1HZ       LYS  54 -14.386   4.213   2.059
  399   2HZ   LYS  54          2HZ       LYS  54 -15.938   3.864   2.470
  400   3HZ   LYS  54          3HZ       LYS  54 -14.765   3.851   3.621
  401    H    SER  55           H        SER  55 -12.535  -3.650   0.080
  402    HA   SER  55           HA       SER  55 -13.556  -5.149  -1.237
  403   1HB   SER  55          1HB       SER  55 -15.087  -2.893  -2.579
  404   2HB   SER  55          2HB       SER  55 -15.466  -4.614  -2.601
  405    HG   SER  55           HG       SER  55 -15.713  -4.508  -0.310
  406    H    ASN  56           H        ASN  56 -10.997  -4.112  -1.955
  407    HA   ASN  56           HA       ASN  56 -11.011  -5.099  -4.798
  408   1HB   ASN  56          1HB       ASN  56  -8.946  -3.336  -3.397
  409   2HB   ASN  56          2HB       ASN  56  -8.751  -4.096  -4.976
  410   1HD2  ASN  56          1HD2      ASN  56 -10.199  -1.447  -3.236
  411   2HD2  ASN  56          2HD2      ASN  56 -10.928  -0.675  -4.637
  412    H    ASN  57           H        ASN  57  -8.634  -4.941  -2.148
  413    HA   ASN  57           HA       ASN  57  -7.163  -7.165  -2.672
  414   1HB   ASN  57          1HB       ASN  57  -6.408  -5.685  -1.032
  415   2HB   ASN  57          2HB       ASN  57  -7.903  -5.788  -0.089
  416   1HD2  ASN  57          1HD2      ASN  57  -8.412  -8.095   0.779
  417   2HD2  ASN  57          2HD2      ASN  57  -7.057  -8.905   1.543
  418    H    GLY  58           H        GLY  58  -7.478  -9.323  -2.738
  419   1HA   GLY  58          1HA       GLY  58 -10.025 -10.488  -2.182
  420   2HA   GLY  58          2HA       GLY  58  -8.547 -11.343  -2.610
  421    HA   PRO  59           HA       PRO  59  -8.382 -13.230   1.165
  422   1HB   PRO  59          1HB       PRO  59  -5.791 -13.311   2.067
  423   2HB   PRO  59          2HB       PRO  59  -6.325 -14.086   0.544
  424   1HG   PRO  59          1HG       PRO  59  -5.126 -11.334   0.890
  425   2HG   PRO  59          2HG       PRO  59  -4.559 -12.618  -0.227
  426   1HD   PRO  59          1HD       PRO  59  -6.178 -10.634  -1.093
  427   2HD   PRO  59          2HD       PRO  59  -6.489 -12.310  -1.629
  428    H    THR  60           H        THR  60  -8.652 -13.105   3.426
  429    HA   THR  60           HA       THR  60  -8.550 -10.351   4.556
  430    HB   THR  60           HB       THR  60 -10.312 -11.539   6.122
  431    HG1  THR  60           HG1      THR  60 -10.725 -12.919   3.684
  432   1HG2  THR  60          1HG2      THR  60 -10.815  -9.634   4.663
  433   2HG2  THR  60          2HG2      THR  60 -10.917 -10.699   3.249
  434   3HG2  THR  60          3HG2      THR  60 -12.114 -10.834   4.557
  435    H    LYS  61           H        LYS  61  -7.560 -13.715   4.973
  436    HA   LYS  61           HA       LYS  61  -6.775 -13.355   7.777
  437   1HB   LYS  61          1HB       LYS  61  -6.627 -15.709   5.845
  438   2HB   LYS  61          2HB       LYS  61  -6.102 -15.742   7.529
  439   1HG   LYS  61          1HG       LYS  61  -8.275 -16.747   7.344
  440   2HG   LYS  61          2HG       LYS  61  -8.373 -15.267   8.317
  441   1HD   LYS  61          1HD       LYS  61  -9.400 -14.068   6.526
  442   2HD   LYS  61          2HD       LYS  61  -9.095 -15.397   5.364
  443   1HE   LYS  61          1HE       LYS  61 -10.746 -16.766   6.735
  444   2HE   LYS  61          2HE       LYS  61 -10.996 -15.332   7.749
  445   1HZ   LYS  61          1HZ       LYS  61 -11.688 -15.690   4.925
  446   2HZ   LYS  61          2HZ       LYS  61 -12.663 -15.213   6.160
  447   3HZ   LYS  61          3HZ       LYS  61 -11.508 -14.186   5.544
  448    H    CYS  62           H        CYS  62  -5.548 -11.516   6.538
  449    HA   CYS  62           HA       CYS  62  -3.628 -10.501   6.075
  450   1HB   CYS  62          1HB       CYS  62  -2.067 -12.950   6.913
  451   2HB   CYS  62          2HB       CYS  62  -1.534 -11.260   6.909
  452    H    GLY  63           H        GLY  63  -1.188 -11.895   4.990
  453   1HA   GLY  63          1HA       GLY  63  -0.425 -13.080   3.159
  454   2HA   GLY  63          2HA       GLY  63  -2.085 -13.552   2.778
  455    H    GLY  64           H        GLY  64  -3.283 -11.100   2.439
  456   1HA   GLY  64          1HA       GLY  64  -3.283 -10.384  -0.100
  457   2HA   GLY  64          2HA       GLY  64  -3.448  -9.173   1.188
  458    H    CYS  65           H        CYS  65  -0.908  -8.953   2.121
  459    HA   CYS  65           HA       CYS  65   0.424  -7.554  -0.165
  460   1HB   CYS  65          1HB       CYS  65   0.327  -6.665   2.693
  461   2HB   CYS  65          2HB       CYS  65   0.683  -5.692   1.256
  462    H    HIS  66           H        HIS  66   0.970  -8.940   3.105
  463    HA   HIS  66           HA       HIS  66   3.827  -9.072   2.947
  464   1HB   HIS  66          1HB       HIS  66   1.832 -10.747   4.534
  465   2HB   HIS  66          2HB       HIS  66   3.577 -10.811   4.719
  466    HD1  HIS  66           HND      HIS  66   4.803  -8.509   5.634
  467    HD2  HIS  66           HD       HIS  66   0.587  -8.677   5.824
  468    HE1  HIS  66           HE       HIS  66   4.011  -6.619   7.159
  469    H    ILE  67           H        ILE  67   4.876 -10.175   1.339
  470    HA   ILE  67           HA       ILE  67   3.713 -12.586   0.143
  471    HB   ILE  67           HB       ILE  67   6.496 -11.397  -0.127
  472   1HG1  ILE  67          1HG1      ILE  67   4.910  -9.683  -0.775
  473   2HG1  ILE  67          2HG1      ILE  67   5.690 -10.360  -2.201
  474   1HG2  ILE  67          1HG2      ILE  67   6.419 -13.706  -0.890
  475   2HG2  ILE  67          2HG2      ILE  67   4.954 -13.401  -1.834
  476   3HG2  ILE  67          3HG2      ILE  67   6.491 -12.636  -2.293
  477   1HD1  ILE  67          1HD1      ILE  67   3.630 -11.719  -2.648
  478   2HD1  ILE  67          2HD1      ILE  67   2.859 -10.959  -1.232
  479   3HD1  ILE  67          3HD1      ILE  67   3.332  -9.975  -2.621
  480    H    LYS  68           H        LYS  68   3.348 -13.787   2.082
  481    HA   LYS  68           HA       LYS  68   5.760 -15.136   3.147
  482   1HB   LYS  68          1HB       LYS  68   5.097 -13.552   4.794
  483   2HB   LYS  68          2HB       LYS  68   3.392 -13.970   4.667
  484   1HG   LYS  68          1HG       LYS  68   5.359 -16.152   5.416
  485   2HG   LYS  68          2HG       LYS  68   5.045 -14.887   6.595
  486   1HD   LYS  68          1HD       LYS  68   3.135 -15.783   7.238
  487   2HD   LYS  68          2HD       LYS  68   2.462 -15.739   5.620
  488   1HE   LYS  68          1HE       LYS  68   4.240 -18.016   6.644
  489   2HE   LYS  68          2HE       LYS  68   2.473 -17.984   6.766
  490   1HZ   LYS  68          1HZ       LYS  68   2.881 -19.139   4.786
  491   2HZ   LYS  68          2HZ       LYS  68   2.569 -17.586   4.249
  492   3HZ   LYS  68          3HZ       LYS  68   4.051 -18.086   4.280
  493    HHA  HEC  69           HCM      HEC  69   8.330   6.728  -1.972
  494    HHB  HEC  69           HDM      HEC  69   7.028  10.022  -7.290
  495    HHC  HEC  69           HAM      HEC  69   1.478   6.862  -7.809
  496    HHD  HEC  69           HBM      HEC  69   2.422   4.671  -1.882
  497   1HMA  HEC  69          HM81      HEC  69   8.731  11.024  -6.289
  498   2HMA  HEC  69          HM82      HEC  69   9.940  10.708  -5.053
  499   3HMA  HEC  69          HM83      HEC  69   9.983   9.785  -6.574
  500   1HAA  HEC  69          HP71      HEC  69  10.227   9.420  -2.839
  501   2HAA  HEC  69          HP72      HEC  69  10.140   7.663  -2.623
  502   1HBA  HEC  69          HP73      HEC  69  11.607   9.153  -4.747
  503   2HBA  HEC  69          HP74      HEC  69  12.168   7.901  -3.644
  504   1HMB  HEC  69          HM11      HEC  69   4.783  11.121  -9.311
  505   2HMB  HEC  69          HM12      HEC  69   6.362  10.310  -9.321
  506   3HMB  HEC  69          HM13      HEC  69   5.137   9.805 -10.462
  507    HAB  HEC  69          HT2A      HEC  69   1.499   8.365  -9.287
  508   1HBB  HEC  69          HT21      HEC  69   3.034   8.774 -11.268
  509   2HBB  HEC  69          HT22      HEC  69   1.514   9.664 -11.197
  510   3HBB  HEC  69          HT23      HEC  69   3.005  10.494 -10.781
  511   1HMC  HEC  69          HM31      HEC  69  -0.278   4.958  -7.122
  512   2HMC  HEC  69          HM32      HEC  69  -1.243   5.367  -5.692
  513   3HMC  HEC  69          HM33      HEC  69  -0.592   6.658  -6.685
  514    HAC  HEC  69          HT4A      HEC  69   0.415   4.414  -2.313
  515   1HBC  HEC  69          HT41      HEC  69   0.117   2.669  -4.183
  516   2HBC  HEC  69          HT42      HEC  69  -1.129   2.824  -2.937
  517   3HBC  HEC  69          HT43      HEC  69  -1.406   3.522  -4.525
  518   1HMD  HEC  69          HM51      HEC  69   5.009   3.746   0.614
  519   2HMD  HEC  69          HM52      HEC  69   3.502   4.685   0.460
  520   3HMD  HEC  69          HM53      HEC  69   3.794   3.300  -0.598
  521   1HAD  HEC  69          HP61      HEC  69   7.788   6.329   0.005
  522   2HAD  HEC  69          HP62      HEC  69   6.567   5.544   0.947
  523   1HBD  HEC  69          HP63      HEC  69   7.430   3.351   0.350
  524   2HBD  HEC  69          HP64      HEC  69   8.585   4.093  -0.779
  525    HHA  HEC  70           HCM      HEC  70  -4.667  -4.847  -6.187
  526    HHB  HEC  70           HDM      HEC  70  -0.389  -4.140  -1.467
  527    HHC  HEC  70           HAM      HEC  70  -2.476   1.835  -0.641
  528    HHD  HEC  70           HBM      HEC  70  -7.059   0.912  -4.918
  529   1HMA  HEC  70          HM81      HEC  70  -1.066  -6.503  -1.764
  530   2HMA  HEC  70          HM82      HEC  70  -1.112  -7.443  -3.250
  531   3HMA  HEC  70          HM83      HEC  70   0.132  -6.197  -3.044
  532   1HAA  HEC  70          HP71      HEC  70  -3.668  -6.841  -5.894
  533   2HAA  HEC  70          HP72      HEC  70  -2.637  -7.696  -4.776
  534   1HBA  HEC  70          HP73      HEC  70  -4.314  -7.303  -2.957
  535   2HBA  HEC  70          HP74      HEC  70  -5.375  -6.545  -4.152
  536   1HMB  HEC  70          HM11      HEC  70   0.946  -1.812   1.141
  537   2HMB  HEC  70          HM12      HEC  70  -0.148  -3.186   0.963
  538   3HMB  HEC  70          HM13      HEC  70   1.187  -2.968  -0.179
  539    HAB  HEC  70          HT2A      HEC  70  -1.315   1.391   0.947
  540   1HBB  HEC  70          HT21      HEC  70   1.495   0.298   1.109
  541   2HBB  HEC  70          HT22      HEC  70   0.962   1.625   0.060
  542   3HBB  HEC  70          HT23      HEC  70   0.806   1.765   1.819
  543   1HMC  HEC  70          HM31      HEC  70  -4.504   4.625  -2.176
  544   2HMC  HEC  70          HM32      HEC  70  -4.336   3.821  -0.597
  545   3HMC  HEC  70          HM33      HEC  70  -2.970   3.902  -1.718
  546    HAC  HEC  70          HT4A      HEC  70  -7.686   2.311  -3.190
  547   1HBC  HEC  70          HT41      HEC  70  -6.836   3.292  -5.273
  548   2HBC  HEC  70          HT42      HEC  70  -7.999   4.334  -4.438
  549   3HBC  HEC  70          HT43      HEC  70  -6.271   4.709  -4.341
  550   1HMD  HEC  70          HM51      HEC  70  -7.547   0.015  -7.548
  551   2HMD  HEC  70          HM52      HEC  70  -8.445  -1.510  -7.470
  552   3HMD  HEC  70          HM53      HEC  70  -8.583  -0.351  -6.144
  553   1HAD  HEC  70          HP61      HEC  70  -5.640  -4.094  -8.059
  554   2HAD  HEC  70          HP62      HEC  70  -7.131  -3.204  -8.375
  555   1HBD  HEC  70          HP63      HEC  70  -5.822  -1.176  -8.904
  556   2HBD  HEC  70          HP64      HEC  70  -4.330  -2.022  -8.492
  557    HHA  HEC  71           HCM      HEC  71   4.524  -3.756   8.765
  558    HHB  HEC  71           HDM      HEC  71   1.487  -8.679  11.398
  559    HHC  HEC  71           HAM      HEC  71  -2.724  -8.614   6.586
  560    HHD  HEC  71           HBM      HEC  71   0.463  -3.894   3.832
  561   1HMA  HEC  71          HM81      HEC  71   4.009  -8.468  12.196
  562   2HMA  HEC  71          HM82      HEC  71   4.504  -6.927  12.908
  563   3HMA  HEC  71          HM83      HEC  71   2.821  -7.453  13.060
  564   1HAA  HEC  71          HP71      HEC  71   5.868  -4.557  10.274
  565   2HAA  HEC  71          HP72      HEC  71   5.643  -5.241  11.882
  566   1HBA  HEC  71          HP73      HEC  71   5.963  -7.500  10.897
  567   2HBA  HEC  71          HP74      HEC  71   6.287  -6.742   9.327
  568   1HMB  HEC  71          HM11      HEC  71  -0.903  -9.847  12.048
  569   2HMB  HEC  71          HM12      HEC  71  -1.301 -11.199  10.962
  570   3HMB  HEC  71          HM13      HEC  71   0.383 -10.755  11.214
  571    HAB  HEC  71          HT2A      HEC  71  -3.656  -9.597   8.227
  572   1HBB  HEC  71          HT21      HEC  71  -3.337 -10.132  11.177
  573   2HBB  HEC  71          HT22      HEC  71  -3.908  -8.619  10.448
  574   3HBB  HEC  71          HT23      HEC  71  -4.823 -10.125  10.218
  575   1HMC  HEC  71          HM31      HEC  71  -4.182  -7.433   4.747
  576   2HMC  HEC  71          HM32      HEC  71  -3.403  -7.413   3.149
  577   3HMC  HEC  71          HM33      HEC  71  -2.994  -8.681   4.299
  578    HAC  HEC  71          HT4A      HEC  71  -1.319  -4.096   2.788
  579   1HBC  HEC  71          HT41      HEC  71  -3.504  -3.817   3.807
  580   2HBC  HEC  71          HT42      HEC  71  -3.548  -3.893   2.035
  581   3HBC  HEC  71          HT43      HEC  71  -4.085  -5.285   2.990
  582   1HMD  HEC  71          HM51      HEC  71   3.007  -1.227   4.307
  583   2HMD  HEC  71          HM52      HEC  71   3.192  -2.694   3.367
  584   3HMD  HEC  71          HM53      HEC  71   1.574  -2.010   3.660
  585   1HAD  HEC  71          HP61      HEC  71   4.878  -1.868   5.360
  586   2HAD  HEC  71          HP62      HEC  71   4.167  -0.993   6.712
  587   1HBD  HEC  71          HP63      HEC  71   6.588  -1.555   6.823
  588   2HBD  HEC  71          HP64      HEC  71   5.688  -2.104   8.219
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1  10.815  -0.072  -9.280
    2   2H    ALA   1          2H        ALA   1  12.162   0.103  -8.325
    3   3H    ALA   1          3H        ALA   1  10.681  -0.148  -7.650
    4    HA   ALA   1           HA       ALA   1  11.167   2.109  -7.316
    5   1HB   ALA   1          1HB       ALA   1  12.869   2.386  -9.057
    6   2HB   ALA   1          2HB       ALA   1  11.652   2.188 -10.334
    7   3HB   ALA   1          3HB       ALA   1  11.592   3.601  -9.260
    8    H    ASP   2           H        ASP   2   9.685   1.186 -10.424
    9    HA   ASP   2           HA       ASP   2   7.078   1.917 -10.150
   10   1HB   ASP   2          1HB       ASP   2   6.907  -0.220 -11.603
   11   2HB   ASP   2          2HB       ASP   2   8.110   0.927 -12.203
   12    H    VAL   3           H        VAL   3   8.871  -0.949  -9.006
   13    HA   VAL   3           HA       VAL   3   6.701  -1.429  -6.991
   14    HB   VAL   3           HB       VAL   3   7.050  -3.215  -8.671
   15   1HG1  VAL   3          1HG1      VAL   3   9.490  -2.972  -9.070
   16   2HG1  VAL   3          2HG1      VAL   3   9.816  -3.570  -7.428
   17   3HG1  VAL   3          3HG1      VAL   3   9.049  -4.622  -8.626
   18   1HG2  VAL   3          1HG2      VAL   3   7.161  -5.090  -7.114
   19   2HG2  VAL   3          2HG2      VAL   3   7.842  -4.048  -5.853
   20   3HG2  VAL   3          3HG2      VAL   3   6.186  -3.777  -6.442
   21    H    VAL   4           H        VAL   4   7.263  -1.771  -4.813
   22    HA   VAL   4           HA       VAL   4  10.122  -1.657  -4.031
   23    HB   VAL   4           HB       VAL   4   7.947   0.151  -2.968
   24   1HG1  VAL   4          1HG1      VAL   4   9.691   0.936  -1.301
   25   2HG1  VAL   4          2HG1      VAL   4   9.168  -0.710  -0.973
   26   3HG1  VAL   4          3HG1      VAL   4  10.716  -0.421  -1.785
   27   1HG2  VAL   4          1HG2      VAL   4   9.593   1.935  -3.392
   28   2HG2  VAL   4          2HG2      VAL   4  10.689   0.732  -4.109
   29   3HG2  VAL   4          3HG2      VAL   4   9.115   1.092  -4.873
   30    H    THR   5           H        THR   5  10.357  -2.497  -1.801
   31    HA   THR   5           HA       THR   5   7.927  -3.580  -0.724
   32    HB   THR   5           HB       THR   5   8.934  -5.601  -1.683
   33    HG1  THR   5           HG1      THR   5   8.251  -5.327   0.652
   34   1HG2  THR   5          1HG2      THR   5  11.158  -6.421  -1.048
   35   2HG2  THR   5          2HG2      THR   5  11.301  -4.875  -1.903
   36   3HG2  THR   5          3HG2      THR   5  11.479  -4.939  -0.133
   37    H    TYR   6           H        TYR   6   7.672  -3.426   1.368
   38    HA   TYR   6           HA       TYR   6   9.746  -2.190   3.075
   39   1HB   TYR   6          1HB       TYR   6   7.149  -3.400   4.015
   40   2HB   TYR   6          2HB       TYR   6   8.182  -2.241   4.834
   41    HD1  TYR   6           HD1      TYR   6   5.230  -2.651   2.997
   42    HD2  TYR   6           HD2      TYR   6   8.551   0.053   3.378
   43    HE1  TYR   6           HE1      TYR   6   3.895  -0.885   1.929
   44    HE2  TYR   6           HE2      TYR   6   7.254   1.783   2.197
   45    HH   TYR   6           HH       TYR   6   5.335   1.977   0.757
   46    H    GLU   7           H        GLU   7  11.441  -3.651   3.335
   47    HA   GLU   7           HA       GLU   7  10.994  -6.477   3.632
   48   1HB   GLU   7          1HB       GLU   7  13.344  -6.564   4.255
   49   2HB   GLU   7          2HB       GLU   7  12.962  -5.958   2.641
   50   1HG   GLU   7          1HG       GLU   7  13.427  -3.633   3.330
   51   2HG   GLU   7          2HG       GLU   7  13.705  -4.165   5.002
   52    H    ASN   8           H        ASN   8   9.414  -6.264   5.158
   53    HA   ASN   8           HA       ASN   8   9.926  -5.567   7.959
   54   1HB   ASN   8          1HB       ASN   8   7.669  -7.401   7.161
   55   2HB   ASN   8          2HB       ASN   8   7.721  -6.193   8.442
   56   1HD2  ASN   8          1HD2      ASN   8   6.350  -6.867   5.540
   57   2HD2  ASN   8          2HD2      ASN   8   6.001  -5.203   5.059
   58    H    LYS   9           H        LYS   9   9.381  -7.330   9.740
   59    HA   LYS   9           HA       LYS   9  11.315  -9.503   9.106
   60   1HB   LYS   9          1HB       LYS   9  10.212  -8.655  11.801
   61   2HB   LYS   9          2HB       LYS   9  11.554  -9.763  11.477
   62   1HG   LYS   9          1HG       LYS   9  11.472  -6.764  10.942
   63   2HG   LYS   9          2HG       LYS   9  12.390  -7.612  12.192
   64   1HD   LYS   9          1HD       LYS   9  13.721  -8.772  10.367
   65   2HD   LYS   9          2HD       LYS   9  12.803  -7.865   9.162
   66   1HE   LYS   9          1HE       LYS   9  14.905  -6.780   9.414
   67   2HE   LYS   9          2HE       LYS   9  13.627  -5.724  10.020
   68   1HZ   LYS   9          1HZ       LYS   9  14.242  -6.376  12.254
   69   2HZ   LYS   9          2HZ       LYS   9  15.414  -7.385  11.683
   70   3HZ   LYS   9          3HZ       LYS   9  15.541  -5.761  11.459
   71    H    LYS  10           H        LYS  10   7.925  -8.965  10.142
   72    HA   LYS  10           HA       LYS  10   7.399 -11.818  10.346
   73   1HB   LYS  10          1HB       LYS  10   5.231 -11.419  10.646
   74   2HB   LYS  10          2HB       LYS  10   5.970  -9.954  11.248
   75   1HG   LYS  10          1HG       LYS  10   4.471  -8.865   9.990
   76   2HG   LYS  10          2HG       LYS  10   5.373  -9.288   8.563
   77   1HD   LYS  10          1HD       LYS  10   3.034 -10.771   9.891
   78   2HD   LYS  10          2HD       LYS  10   2.947  -9.730   8.461
   79   1HE   LYS  10          1HE       LYS  10   4.634 -11.351   7.395
   80   2HE   LYS  10          2HE       LYS  10   4.250 -12.472   8.704
   81   1HZ   LYS  10          1HZ       LYS  10   2.313 -11.261   6.833
   82   2HZ   LYS  10          2HZ       LYS  10   2.927 -12.791   6.700
   83   3HZ   LYS  10          3HZ       LYS  10   1.959 -12.396   7.975
   84    H    GLY  11           H        GLY  11   7.540  -9.679   7.518
   85   1HA   GLY  11          1HA       GLY  11   7.918 -11.714   5.664
   86   2HA   GLY  11          2HA       GLY  11   6.160 -11.432   5.787
   87    H    ASN  12           H        ASN  12   8.640 -10.587   3.924
   88    HA   ASN  12           HA       ASN  12   8.721  -7.735   3.937
   89   1HB   ASN  12          1HB       ASN  12   9.263  -9.683   1.666
   90   2HB   ASN  12          2HB       ASN  12   9.675  -7.972   1.657
   91   1HD2  ASN  12          1HD2      ASN  12  10.385  -8.838   4.886
   92   2HD2  ASN  12          2HD2      ASN  12  12.039  -9.262   4.573
   93    H    VAL  13           H        VAL  13   7.273  -6.261   3.137
   94    HA   VAL  13           HA       VAL  13   4.847  -7.328   1.757
   95    HB   VAL  13           HB       VAL  13   5.361  -4.795   3.282
   96   1HG1  VAL  13          1HG1      VAL  13   4.140  -3.922   1.430
   97   2HG1  VAL  13          2HG1      VAL  13   3.216  -5.422   1.235
   98   3HG1  VAL  13          3HG1      VAL  13   2.878  -4.347   2.596
   99   1HG2  VAL  13          1HG2      VAL  13   3.623  -5.599   4.690
  100   2HG2  VAL  13          2HG2      VAL  13   3.074  -6.791   3.486
  101   3HG2  VAL  13          3HG2      VAL  13   4.625  -7.009   4.310
  102    H    THR  14           H        THR  14   4.856  -7.221  -0.389
  103    HA   THR  14           HA       THR  14   6.555  -5.186  -1.745
  104    HB   THR  14           HB       THR  14   4.980  -7.521  -2.872
  105    HG1  THR  14           HG1      THR  14   7.113  -8.367  -3.062
  106   1HG2  THR  14          1HG2      THR  14   6.373  -7.099  -4.907
  107   2HG2  THR  14          2HG2      THR  14   5.304  -5.732  -4.567
  108   3HG2  THR  14          3HG2      THR  14   7.028  -5.638  -4.140
  109    H    PHE  15           H        PHE  15   5.681  -3.493  -2.902
  110    HA   PHE  15           HA       PHE  15   2.763  -3.438  -3.368
  111   1HB   PHE  15          1HB       PHE  15   2.654  -1.059  -2.775
  112   2HB   PHE  15          2HB       PHE  15   2.971  -2.077  -1.383
  113    HD1  PHE  15           HD1      PHE  15   5.387  -2.328  -0.538
  114    HD2  PHE  15           HD2      PHE  15   4.044   0.838  -3.159
  115    HE1  PHE  15           HE1      PHE  15   7.221  -0.879   0.257
  116    HE2  PHE  15           HE2      PHE  15   5.840   2.318  -2.260
  117    HZ   PHE  15           HZ       PHE  15   7.392   1.455  -0.547
  118    H    ASP  16           H        ASP  16   2.362  -2.846  -5.412
  119    HA   ASP  16           HA       ASP  16   4.524  -1.793  -7.103
  120   1HB   ASP  16          1HB       ASP  16   2.796  -3.379  -8.009
  121   2HB   ASP  16          2HB       ASP  16   1.610  -2.080  -7.829
  122    H    HIS  17           H        HIS  17   4.385   0.274  -7.830
  123    HA   HIS  17           HA       HIS  17   3.296   2.295  -5.892
  124   1HB   HIS  17          1HB       HIS  17   5.822   1.654  -5.783
  125   2HB   HIS  17          2HB       HIS  17   5.975   2.356  -7.377
  126    HD1  HIS  17           HND      HIS  17   7.675   4.078  -6.639
  127    HD2  HIS  17           HD       HIS  17   3.896   4.299  -4.816
  128    HE1  HIS  17           HE       HIS  17   7.500   6.412  -5.566
  129    H    LYS  18           H        LYS  18   4.801   1.765  -9.032
  130    HA   LYS  18           HA       LYS  18   3.778   3.955 -10.521
  131   1HB   LYS  18          1HB       LYS  18   5.646   3.074 -11.360
  132   2HB   LYS  18          2HB       LYS  18   5.221   1.400 -10.946
  133   1HG   LYS  18          1HG       LYS  18   3.847   2.768 -13.241
  134   2HG   LYS  18          2HG       LYS  18   5.454   2.057 -13.324
  135   1HD   LYS  18          1HD       LYS  18   4.870  -0.007 -13.422
  136   2HD   LYS  18          2HD       LYS  18   3.872   0.117 -11.995
  137   1HE   LYS  18          1HE       LYS  18   2.146   1.390 -13.469
  138   2HE   LYS  18          2HE       LYS  18   3.022   0.801 -14.878
  139   1HZ   LYS  18          1HZ       LYS  18   2.401  -1.407 -14.240
  140   2HZ   LYS  18          2HZ       LYS  18   1.829  -0.894 -12.774
  141   3HZ   LYS  18          3HZ       LYS  18   1.072  -0.405 -14.161
  142    H    ALA  19           H        ALA  19   2.686   0.567 -10.372
  143    HA   ALA  19           HA       ALA  19   0.308   0.769 -11.935
  144   1HB   ALA  19          1HB       ALA  19  -0.677  -0.959 -10.485
  145   2HB   ALA  19          2HB       ALA  19   0.976  -1.379 -10.960
  146   3HB   ALA  19          3HB       ALA  19   0.640  -0.712  -9.330
  147    H    HIS  20           H        HIS  20   0.508   1.213  -8.341
  148    HA   HIS  20           HA       HIS  20  -2.203   2.077  -8.162
  149   1HB   HIS  20          1HB       HIS  20   0.157   2.507  -6.291
  150   2HB   HIS  20          2HB       HIS  20  -1.524   2.942  -5.929
  151    HD1  HIS  20           HND      HIS  20  -1.560  -0.294  -7.799
  152    HD2  HIS  20           HD       HIS  20  -1.540   1.168  -3.865
  153    HE1  HIS  20           HE       HIS  20  -2.174  -2.172  -6.360
  154    H    ALA  21           H        ALA  21   0.803   3.738  -8.902
  155    HA   ALA  21           HA       ALA  21  -0.191   6.416  -8.687
  156   1HB   ALA  21          1HB       ALA  21   1.984   5.359 -10.517
  157   2HB   ALA  21          2HB       ALA  21   1.644   7.035 -10.175
  158   3HB   ALA  21          3HB       ALA  21   2.202   5.952  -8.865
  159    H    GLU  22           H        GLU  22  -0.014   4.244 -11.565
  160    HA   GLU  22           HA       GLU  22  -1.152   6.244 -13.302
  161   1HB   GLU  22          1HB       GLU  22  -0.898   4.660 -15.061
  162   2HB   GLU  22          2HB       GLU  22   0.511   4.495 -14.011
  163   1HG   GLU  22          1HG       GLU  22  -0.654   2.533 -12.936
  164   2HG   GLU  22          2HG       GLU  22  -1.898   2.628 -14.196
  165    H    LYS  23           H        LYS  23  -2.355   3.261 -11.784
  166    HA   LYS  23           HA       LYS  23  -4.856   3.116 -13.051
  167   1HB   LYS  23          1HB       LYS  23  -3.952   2.223 -10.276
  168   2HB   LYS  23          2HB       LYS  23  -5.448   1.687 -11.033
  169   1HG   LYS  23          1HG       LYS  23  -2.729   1.284 -12.375
  170   2HG   LYS  23          2HG       LYS  23  -3.323   0.173 -11.153
  171   1HD   LYS  23          1HD       LYS  23  -4.993   0.934 -13.565
  172   2HD   LYS  23          2HD       LYS  23  -3.707  -0.287 -13.682
  173   1HE   LYS  23          1HE       LYS  23  -4.723  -1.608 -11.857
  174   2HE   LYS  23          2HE       LYS  23  -6.019  -0.417 -11.669
  175   1HZ   LYS  23          1HZ       LYS  23  -6.700  -2.302 -12.917
  176   2HZ   LYS  23          2HZ       LYS  23  -6.747  -0.964 -13.879
  177   3HZ   LYS  23          3HZ       LYS  23  -5.527  -2.068 -14.049
  178    H    LEU  24           H        LEU  24  -3.959   4.620  -9.928
  179    HA   LEU  24           HA       LEU  24  -6.655   5.748  -9.596
  180   1HB   LEU  24          1HB       LEU  24  -4.072   6.086  -8.029
  181   2HB   LEU  24          2HB       LEU  24  -5.612   6.812  -7.619
  182    HG   LEU  24           HG       LEU  24  -4.957   4.779  -6.342
  183   1HD1  LEU  24          1HD1      LEU  24  -7.279   3.855  -6.305
  184   2HD1  LEU  24          2HD1      LEU  24  -7.241   5.631  -6.324
  185   3HD1  LEU  24          3HD1      LEU  24  -7.632   4.723  -7.804
  186   1HD2  LEU  24          1HD2      LEU  24  -4.121   3.316  -8.091
  187   2HD2  LEU  24          2HD2      LEU  24  -5.336   2.568  -7.069
  188   3HD2  LEU  24          3HD2      LEU  24  -5.787   3.096  -8.699
  189    H    GLY  25           H        GLY  25  -3.307   6.983 -10.241
  190   1HA   GLY  25          1HA       GLY  25  -2.935   8.941 -11.533
  191   2HA   GLY  25          2HA       GLY  25  -4.481   9.626 -11.034
  192    H    CYS  26           H        CYS  26  -1.967   8.061  -9.064
  193    HA   CYS  26           HA       CYS  26  -0.508   8.756  -7.500
  194   1HB   CYS  26          1HB       CYS  26  -0.191  10.523  -9.477
  195   2HB   CYS  26          2HB       CYS  26  -0.758  11.644  -8.243
  196    H    ASP  27           H        ASP  27  -3.260  10.913  -7.610
  197    HA   ASP  27           HA       ASP  27  -3.294  12.408  -5.329
  198   1HB   ASP  27          1HB       ASP  27  -5.700  12.429  -5.675
  199   2HB   ASP  27          2HB       ASP  27  -4.881  12.532  -7.238
  200    H    ALA  28           H        ALA  28  -4.394   9.163  -5.872
  201    HA   ALA  28           HA       ALA  28  -5.500   8.142  -3.717
  202   1HB   ALA  28          1HB       ALA  28  -3.060   7.030  -5.161
  203   2HB   ALA  28          2HB       ALA  28  -4.113   6.049  -4.110
  204   3HB   ALA  28          3HB       ALA  28  -4.772   6.829  -5.569
  205    H    CYS  29           H        CYS  29  -2.015   8.813  -3.842
  206    HA   CYS  29           HA       CYS  29  -1.841   8.557  -0.847
  207   1HB   CYS  29          1HB       CYS  29   0.232   7.731  -2.823
  208   2HB   CYS  29          2HB       CYS  29   0.252   7.451  -1.073
  209    H    HIS  30           H        HIS  30  -0.796  10.348  -3.787
  210    HA   HIS  30           HA       HIS  30   0.463  12.344  -1.964
  211   1HB   HIS  30          1HB       HIS  30   1.623  11.519  -4.627
  212   2HB   HIS  30          2HB       HIS  30   2.282  12.666  -3.475
  213    HD1  HIS  30           HND      HIS  30   3.698  11.563  -1.475
  214    HD2  HIS  30           HD       HIS  30   2.275   9.116  -4.511
  215    HE1  HIS  30           HE       HIS  30   5.352   9.504  -1.696
  216    H    GLU  31           H        GLU  31  -0.414  14.259  -2.351
  217    HA   GLU  31           HA       GLU  31  -2.336  14.600  -4.501
  218   1HB   GLU  31          1HB       GLU  31  -1.299  16.834  -2.681
  219   2HB   GLU  31          2HB       GLU  31  -2.851  16.670  -3.516
  220   1HG   GLU  31          1HG       GLU  31  -3.051  14.479  -2.140
  221   2HG   GLU  31          2HG       GLU  31  -1.825  15.176  -1.074
  222    H    GLY  32           H        GLY  32   0.670  16.179  -3.610
  223   1HA   GLY  32          1HA       GLY  32   1.458  16.812  -6.358
  224   2HA   GLY  32          2HA       GLY  32   0.980  18.198  -5.350
  225    H    THR  33           H        THR  33   3.584  16.914  -6.399
  226    HA   THR  33           HA       THR  33   5.797  16.903  -5.841
  227    HB   THR  33           HB       THR  33   5.030  18.677  -3.503
  228    HG1  THR  33           HG1      THR  33   5.389  19.297  -6.254
  229   1HG2  THR  33          1HG2      THR  33   7.433  18.033  -3.618
  230   2HG2  THR  33          2HG2      THR  33   7.498  18.546  -5.316
  231   3HG2  THR  33          3HG2      THR  33   7.205  19.738  -4.033
  232    HA   PRO  34           HA       PRO  34   5.220  13.635  -2.547
  233   1HB   PRO  34          1HB       PRO  34   6.103  11.496  -3.920
  234   2HB   PRO  34          2HB       PRO  34   4.440  12.106  -4.104
  235   1HG   PRO  34          1HG       PRO  34   6.742  12.731  -5.926
  236   2HG   PRO  34          2HG       PRO  34   5.090  12.149  -6.336
  237   1HD   PRO  34          1HD       PRO  34   5.741  14.775  -6.448
  238   2HD   PRO  34          2HD       PRO  34   4.130  14.251  -5.873
  239    H    ALA  35           H        ALA  35   7.013  12.141  -1.809
  240    HA   ALA  35           HA       ALA  35   9.762  13.042  -2.316
  241   1HB   ALA  35          1HB       ALA  35   8.847  14.899  -0.978
  242   2HB   ALA  35          2HB       ALA  35   8.321  13.752   0.274
  243   3HB   ALA  35          3HB       ALA  35  10.055  13.984  -0.053
  244    H    LYS  36           H        LYS  36   7.482  11.128  -0.400
  245    HA   LYS  36           HA       LYS  36   8.371   8.707  -0.219
  246   1HB   LYS  36          1HB       LYS  36   9.695   8.447   1.796
  247   2HB   LYS  36          2HB       LYS  36  10.601   9.237   0.546
  248   1HG   LYS  36          1HG       LYS  36  11.156  10.760   2.103
  249   2HG   LYS  36          2HG       LYS  36   9.583  11.461   1.819
  250   1HD   LYS  36          1HD       LYS  36   9.812  11.272   4.168
  251   2HD   LYS  36          2HD       LYS  36   8.617  10.083   3.657
  252   1HE   LYS  36          1HE       LYS  36  10.535   8.325   3.731
  253   2HE   LYS  36          2HE       LYS  36  11.542   9.590   4.427
  254   1HZ   LYS  36          1HZ       LYS  36  10.510   8.153   6.069
  255   2HZ   LYS  36          2HZ       LYS  36   9.939   9.691   6.254
  256   3HZ   LYS  36          3HZ       LYS  36   9.011   8.546   5.511
  257    H    ILE  37           H        ILE  37   7.432   7.563   1.717
  258    HA   ILE  37           HA       ILE  37   5.683   9.303   3.405
  259    HB   ILE  37           HB       ILE  37   4.834   6.619   2.253
  260   1HG1  ILE  37          1HG1      ILE  37   4.794   8.233   0.535
  261   2HG1  ILE  37          2HG1      ILE  37   3.257   7.516   0.985
  262   1HG2  ILE  37          1HG2      ILE  37   3.364   8.638   4.034
  263   2HG2  ILE  37          2HG2      ILE  37   2.598   7.239   3.255
  264   3HG2  ILE  37          3HG2      ILE  37   3.802   7.002   4.513
  265   1HD1  ILE  37          1HD1      ILE  37   2.522   9.567   2.107
  266   2HD1  ILE  37          2HD1      ILE  37   4.108  10.325   1.846
  267   3HD1  ILE  37          3HD1      ILE  37   3.048   9.955   0.473
  268    H    ALA  38           H        ALA  38   5.478   5.946   3.904
  269    HA   ALA  38           HA       ALA  38   7.802   5.317   5.367
  270   1HB   ALA  38          1HB       ALA  38   7.201   7.066   7.002
  271   2HB   ALA  38          2HB       ALA  38   5.522   6.487   7.041
  272   3HB   ALA  38          3HB       ALA  38   6.831   5.491   7.707
  273    H    ILE  39           H        ILE  39   4.232   5.073   5.460
  274    HA   ILE  39           HA       ILE  39   2.845   3.401   6.116
  275    HB   ILE  39           HB       ILE  39   4.604   2.062   4.082
  276   1HG1  ILE  39          1HG1      ILE  39   3.771   4.198   3.308
  277   2HG1  ILE  39          2HG1      ILE  39   2.904   2.880   2.540
  278   1HG2  ILE  39          1HG2      ILE  39   2.537   0.739   3.534
  279   2HG2  ILE  39          2HG2      ILE  39   3.277   0.339   5.074
  280   3HG2  ILE  39          3HG2      ILE  39   1.806   1.328   5.043
  281   1HD1  ILE  39          1HD1      ILE  39   1.281   4.533   3.015
  282   2HD1  ILE  39          2HD1      ILE  39   1.037   3.264   4.229
  283   3HD1  ILE  39          3HD1      ILE  39   1.863   4.774   4.666
  284    H    ASP  40           H        ASP  40   2.988   3.021   8.063
  285    HA   ASP  40           HA       ASP  40   4.804   0.965   9.247
  286   1HB   ASP  40          1HB       ASP  40   3.671   1.872  11.430
  287   2HB   ASP  40          2HB       ASP  40   4.946   2.765  10.644
  288    H    LYS  41           H        LYS  41   3.905  -0.706  10.444
  289    HA   LYS  41           HA       LYS  41   1.827  -2.176   9.787
  290   1HB   LYS  41          1HB       LYS  41   1.666  -2.933  12.138
  291   2HB   LYS  41          2HB       LYS  41   3.220  -2.973  11.358
  292   1HG   LYS  41          1HG       LYS  41   3.724  -0.713  12.602
  293   2HG   LYS  41          2HG       LYS  41   2.271  -1.106  13.543
  294   1HD   LYS  41          1HD       LYS  41   4.060  -1.971  14.778
  295   2HD   LYS  41          2HD       LYS  41   3.366  -3.388  13.976
  296   1HE   LYS  41          1HE       LYS  41   5.189  -3.050  12.149
  297   2HE   LYS  41          2HE       LYS  41   5.908  -1.834  13.184
  298   1HZ   LYS  41          1HZ       LYS  41   5.436  -4.613  14.045
  299   2HZ   LYS  41          2HZ       LYS  41   6.739  -4.220  13.215
  300   3HZ   LYS  41          3HZ       LYS  41   6.493  -3.523  14.704
  301    H    LYS  42           H        LYS  42   1.491   0.517  12.046
  302    HA   LYS  42           HA       LYS  42  -1.323   0.273  12.492
  303   1HB   LYS  42          1HB       LYS  42   0.460   2.751  12.536
  304   2HB   LYS  42          2HB       LYS  42  -1.246   2.729  12.960
  305   1HG   LYS  42          1HG       LYS  42  -0.312   0.645  14.526
  306   2HG   LYS  42          2HG       LYS  42   1.129   1.657  14.417
  307   1HD   LYS  42          1HD       LYS  42  -0.018   2.364  16.366
  308   2HD   LYS  42          2HD       LYS  42  -0.310   3.627  15.157
  309   1HE   LYS  42          1HE       LYS  42  -2.580   2.608  14.692
  310   2HE   LYS  42          2HE       LYS  42  -2.233   1.332  15.863
  311   1HZ   LYS  42          1HZ       LYS  42  -2.461   4.204  16.485
  312   2HZ   LYS  42          2HZ       LYS  42  -3.601   3.057  16.773
  313   3HZ   LYS  42          3HZ       LYS  42  -2.169   3.005  17.576
  314    H    SER  43           H        SER  43   0.238   2.693  10.257
  315    HA   SER  43           HA       SER  43  -2.232   3.445   9.111
  316   1HB   SER  43          1HB       SER  43   0.552   3.693   7.969
  317   2HB   SER  43          2HB       SER  43  -0.886   4.625   7.491
  318    HG   SER  43           HG       SER  43   0.598   4.614   9.890
  319    H    ALA  44           H        ALA  44   0.204   1.164   7.918
  320    HA   ALA  44           HA       ALA  44  -0.903   0.222   5.570
  321   1HB   ALA  44          1HB       ALA  44   0.186  -1.866   6.140
  322   2HB   ALA  44          2HB       ALA  44   1.243  -0.482   6.593
  323   3HB   ALA  44          3HB       ALA  44   0.367  -1.386   7.836
  324    H    HIS  45           H        HIS  45  -1.620  -1.052   8.893
  325    HA   HIS  45           HA       HIS  45  -3.890  -2.588   7.809
  326   1HB   HIS  45          1HB       HIS  45  -2.503  -2.510  10.495
  327   2HB   HIS  45          2HB       HIS  45  -3.985  -3.371  10.205
  328    HD1  HIS  45           HND      HIS  45  -3.142  -5.622  10.749
  329    HD2  HIS  45           HD       HIS  45  -0.927  -3.750   7.697
  330    HE1  HIS  45           HE       HIS  45  -1.622  -7.377   9.779
  331    H    LYS  46           H        LYS  46  -3.799   0.562   8.281
  332    HA   LYS  46           HA       LYS  46  -6.390   0.827   9.801
  333   1HB   LYS  46          1HB       LYS  46  -4.666   1.548  11.222
  334   2HB   LYS  46          2HB       LYS  46  -3.897   2.427   9.910
  335   1HG   LYS  46          1HG       LYS  46  -6.583   3.447  10.268
  336   2HG   LYS  46          2HG       LYS  46  -5.717   3.470  11.807
  337   1HD   LYS  46          1HD       LYS  46  -4.515   4.430   9.212
  338   2HD   LYS  46          2HD       LYS  46  -5.471   5.496  10.231
  339   1HE   LYS  46          1HE       LYS  46  -3.875   5.443  12.002
  340   2HE   LYS  46          2HE       LYS  46  -3.028   4.029  11.370
  341   1HZ   LYS  46          1HZ       LYS  46  -3.019   6.499   9.801
  342   2HZ   LYS  46          2HZ       LYS  46  -2.019   6.347  11.092
  343   3HZ   LYS  46          3HZ       LYS  46  -1.860   5.318   9.865
  344    H    ASP  47           H        ASP  47  -4.309   2.853   7.758
  345    HA   ASP  47           HA       ASP  47  -6.353   3.225   5.770
  346   1HB   ASP  47          1HB       ASP  47  -5.762   5.510   7.683
  347   2HB   ASP  47          2HB       ASP  47  -6.400   5.715   6.057
  348    H    ALA  48           H        ALA  48  -4.484   2.149   4.905
  349    HA   ALA  48           HA       ALA  48  -3.310   4.115   3.161
  350   1HB   ALA  48          1HB       ALA  48  -1.475   4.133   4.767
  351   2HB   ALA  48          2HB       ALA  48  -1.400   2.361   4.786
  352   3HB   ALA  48          3HB       ALA  48  -0.996   3.253   3.301
  353    H    CYS  49           H        CYS  49  -2.677   0.692   4.118
  354    HA   CYS  49           HA       CYS  49  -3.253  -0.109   1.344
  355   1HB   CYS  49          1HB       CYS  49  -2.260  -1.881   3.515
  356   2HB   CYS  49          2HB       CYS  49  -2.096  -2.096   1.784
  357    H    LYS  50           H        LYS  50  -4.109  -1.282   4.668
  358    HA   LYS  50           HA       LYS  50  -6.265  -2.898   3.595
  359   1HB   LYS  50          1HB       LYS  50  -4.644  -3.426   5.494
  360   2HB   LYS  50          2HB       LYS  50  -5.625  -2.329   6.486
  361   1HG   LYS  50          1HG       LYS  50  -7.625  -3.763   5.957
  362   2HG   LYS  50          2HG       LYS  50  -6.567  -4.904   5.127
  363   1HD   LYS  50          1HD       LYS  50  -6.400  -4.010   8.050
  364   2HD   LYS  50          2HD       LYS  50  -7.138  -5.517   7.524
  365   1HE   LYS  50          1HE       LYS  50  -4.165  -4.793   7.231
  366   2HE   LYS  50          2HE       LYS  50  -4.869  -5.803   8.496
  367   1HZ   LYS  50          1HZ       LYS  50  -3.894  -7.092   6.779
  368   2HZ   LYS  50          2HZ       LYS  50  -5.521  -7.368   6.812
  369   3HZ   LYS  50          3HZ       LYS  50  -4.859  -6.423   5.630
  370    H    THR  51           H        THR  51  -7.004  -0.654   2.738
  371    HA   THR  51           HA       THR  51  -9.440   0.154   4.159
  372    HB   THR  51           HB       THR  51  -7.626   1.599   5.083
  373    HG1  THR  51           HG1      THR  51  -8.956   3.288   5.196
  374   1HG2  THR  51          1HG2      THR  51  -6.292   2.002   2.993
  375   2HG2  THR  51          2HG2      THR  51  -7.664   2.908   2.305
  376   3HG2  THR  51          3HG2      THR  51  -6.838   3.535   3.703
  377    H    CYS  52           H        CYS  52  -7.241   0.750   1.359
  378    HA   CYS  52           HA       CYS  52  -9.392   1.332  -0.489
  379   1HB   CYS  52          1HB       CYS  52  -6.447   0.715  -0.617
  380   2HB   CYS  52          2HB       CYS  52  -7.440   0.541  -2.062
  381    H    HIS  53           H        HIS  53  -7.178  -1.512  -0.240
  382    HA   HIS  53           HA       HIS  53  -8.567  -3.060  -2.062
  383   1HB   HIS  53          1HB       HIS  53  -7.314  -4.426   0.311
  384   2HB   HIS  53          2HB       HIS  53  -7.430  -4.973  -1.347
  385    HD1  HIS  53           HND      HIS  53  -5.454  -2.596   0.885
  386    HD2  HIS  53           HD       HIS  53  -5.644  -3.609  -3.184
  387    HE1  HIS  53           HE       HIS  53  -3.438  -1.662  -0.212
  388    H    LYS  54           H        LYS  54  -9.280  -2.438   1.313
  389    HA   LYS  54           HA       LYS  54 -11.167  -4.391   1.918
  390   1HB   LYS  54          1HB       LYS  54 -10.849  -1.511   2.757
  391   2HB   LYS  54          2HB       LYS  54 -12.191  -2.456   3.352
  392   1HG   LYS  54          1HG       LYS  54  -9.292  -3.199   3.720
  393   2HG   LYS  54          2HG       LYS  54 -10.345  -2.409   4.893
  394   1HD   LYS  54          1HD       LYS  54 -10.570  -5.209   3.796
  395   2HD   LYS  54          2HD       LYS  54 -10.278  -4.666   5.444
  396   1HE   LYS  54          1HE       LYS  54 -12.490  -5.335   5.603
  397   2HE   LYS  54          2HE       LYS  54 -12.671  -3.605   5.340
  398   1HZ   LYS  54          1HZ       LYS  54 -14.188  -4.928   4.019
  399   2HZ   LYS  54          2HZ       LYS  54 -13.211  -4.152   2.972
  400   3HZ   LYS  54          3HZ       LYS  54 -12.967  -5.732   3.289
  401    H    SER  55           H        SER  55 -11.583  -1.667  -0.305
  402    HA   SER  55           HA       SER  55 -14.495  -2.334  -0.537
  403   1HB   SER  55          1HB       SER  55 -12.976   0.175  -1.339
  404   2HB   SER  55          2HB       SER  55 -14.723  -0.096  -1.494
  405    HG   SER  55           HG       SER  55 -14.758  -0.380   0.817
  406    H    ASN  56           H        ASN  56 -11.867  -3.516  -1.787
  407    HA   ASN  56           HA       ASN  56 -12.876  -3.588  -4.611
  408   1HB   ASN  56          1HB       ASN  56 -10.020  -3.641  -3.570
  409   2HB   ASN  56          2HB       ASN  56 -10.493  -4.106  -5.196
  410   1HD2  ASN  56          1HD2      ASN  56 -10.071  -1.232  -3.037
  411   2HD2  ASN  56          2HD2      ASN  56 -10.298  -0.121  -4.365
  412    H    ASN  57           H        ASN  57 -11.495  -5.448  -1.836
  413    HA   ASN  57           HA       ASN  57 -12.564  -7.941  -2.835
  414   1HB   ASN  57          1HB       ASN  57 -10.271  -9.008  -2.912
  415   2HB   ASN  57          2HB       ASN  57 -10.612  -7.892  -4.229
  416   1HD2  ASN  57          1HD2      ASN  57  -8.903  -6.590  -4.727
  417   2HD2  ASN  57          2HD2      ASN  57  -7.680  -6.066  -3.593
  418    H    GLY  58           H        GLY  58 -11.755  -9.742  -1.305
  419   1HA   GLY  58          1HA       GLY  58 -12.031  -8.811   1.478
  420   2HA   GLY  58          2HA       GLY  58 -12.033 -10.485   0.897
  421    HA   PRO  59           HA       PRO  59  -7.768  -8.814   2.291
  422   1HB   PRO  59          1HB       PRO  59  -7.519  -9.512   4.929
  423   2HB   PRO  59          2HB       PRO  59  -8.476  -8.111   4.386
  424   1HG   PRO  59          1HG       PRO  59  -9.511 -10.910   4.953
  425   2HG   PRO  59          2HG       PRO  59 -10.089  -9.375   5.672
  426   1HD   PRO  59          1HD       PRO  59 -11.325 -10.443   3.507
  427   2HD   PRO  59          2HD       PRO  59 -11.051  -8.678   3.610
  428    H    THR  60           H        THR  60  -8.513 -11.366   1.009
  429    HA   THR  60           HA       THR  60  -7.640 -13.344   0.407
  430    HB   THR  60           HB       THR  60  -5.139 -12.916  -0.133
  431    HG1  THR  60           HG1      THR  60  -4.859 -11.356   1.516
  432   1HG2  THR  60          1HG2      THR  60  -7.011 -12.522  -1.719
  433   2HG2  THR  60          2HG2      THR  60  -7.251 -10.903  -1.024
  434   3HG2  THR  60          3HG2      THR  60  -5.741 -11.295  -1.862
  435    H    LYS  61           H        LYS  61  -7.583 -13.062   3.490
  436    HA   LYS  61           HA       LYS  61  -7.048 -14.359   5.253
  437   1HB   LYS  61          1HB       LYS  61  -5.895 -16.487   3.444
  438   2HB   LYS  61          2HB       LYS  61  -6.564 -16.652   5.059
  439   1HG   LYS  61          1HG       LYS  61  -8.530 -17.212   4.163
  440   2HG   LYS  61          2HG       LYS  61  -8.703 -15.570   3.506
  441   1HD   LYS  61          1HD       LYS  61  -7.534 -16.242   1.446
  442   2HD   LYS  61          2HD       LYS  61  -7.131 -17.806   2.140
  443   1HE   LYS  61          1HE       LYS  61  -8.930 -18.137   0.582
  444   2HE   LYS  61          2HE       LYS  61  -9.500 -18.475   2.220
  445   1HZ   LYS  61          1HZ       LYS  61 -11.077 -17.195   0.960
  446   2HZ   LYS  61          2HZ       LYS  61 -10.537 -16.302   2.230
  447   3HZ   LYS  61          3HZ       LYS  61  -9.989 -15.990   0.705
  448    H    CYS  62           H        CYS  62  -5.492 -12.381   4.360
  449    HA   CYS  62           HA       CYS  62  -3.582 -11.291   4.792
  450   1HB   CYS  62          1HB       CYS  62  -2.100 -13.843   5.468
  451   2HB   CYS  62          2HB       CYS  62  -1.562 -12.178   5.703
  452    H    GLY  63           H        GLY  63  -0.941 -12.617   3.810
  453   1HA   GLY  63          1HA       GLY  63  -0.018 -13.522   1.914
  454   2HA   GLY  63          2HA       GLY  63  -1.636 -13.861   1.294
  455    H    GLY  64           H        GLY  64  -2.772 -11.431   1.065
  456   1HA   GLY  64          1HA       GLY  64  -2.435 -10.419  -1.321
  457   2HA   GLY  64          2HA       GLY  64  -2.806  -9.371   0.066
  458    H    CYS  65           H        CYS  65  -0.583  -9.109   1.407
  459    HA   CYS  65           HA       CYS  65   1.060  -7.438  -0.438
  460   1HB   CYS  65          1HB       CYS  65   0.485  -7.064   2.478
  461   2HB   CYS  65          2HB       CYS  65   1.072  -5.844   1.337
  462    H    HIS  66           H        HIS  66   1.286  -9.311   2.594
  463    HA   HIS  66           HA       HIS  66   4.189  -9.240   2.729
  464   1HB   HIS  66          1HB       HIS  66   2.192 -11.102   4.044
  465   2HB   HIS  66          2HB       HIS  66   3.922 -11.012   4.385
  466    HD1  HIS  66           HND      HIS  66   4.779  -8.754   5.708
  467    HD2  HIS  66           HD       HIS  66   0.615  -9.175   5.217
  468    HE1  HIS  66           HE       HIS  66   3.617  -7.086   7.286
  469    H    ILE  67           H        ILE  67   5.472 -10.391   1.319
  470    HA   ILE  67           HA       ILE  67   4.273 -12.582  -0.291
  471    HB   ILE  67           HB       ILE  67   7.044 -11.343  -0.409
  472   1HG1  ILE  67          1HG1      ILE  67   5.410  -9.627  -0.934
  473   2HG1  ILE  67          2HG1      ILE  67   6.235 -10.157  -2.395
  474   1HG2  ILE  67          1HG2      ILE  67   6.984 -12.308  -2.772
  475   2HG2  ILE  67          2HG2      ILE  67   7.171 -13.491  -1.489
  476   3HG2  ILE  67          3HG2      ILE  67   5.592 -13.280  -2.259
  477   1HD1  ILE  67          1HD1      ILE  67   4.256 -11.554  -3.010
  478   2HD1  ILE  67          2HD1      ILE  67   3.405 -10.939  -1.571
  479   3HD1  ILE  67          3HD1      ILE  67   3.880  -9.833  -2.860
  480    H    LYS  68           H        LYS  68   3.930 -13.512   1.937
  481    HA   LYS  68           HA       LYS  68   4.390 -14.719   3.740
  482   1HB   LYS  68          1HB       LYS  68   4.531 -16.465   2.022
  483   2HB   LYS  68          2HB       LYS  68   6.255 -16.150   1.835
  484   1HG   LYS  68          1HG       LYS  68   5.699 -16.629   4.645
  485   2HG   LYS  68          2HG       LYS  68   4.888 -17.904   3.727
  486   1HD   LYS  68          1HD       LYS  68   7.741 -16.998   3.250
  487   2HD   LYS  68          2HD       LYS  68   7.351 -18.287   4.407
  488   1HE   LYS  68          1HE       LYS  68   6.392 -19.694   2.651
  489   2HE   LYS  68          2HE       LYS  68   6.505 -18.395   1.458
  490   1HZ   LYS  68          1HZ       LYS  68   8.804 -19.719   2.720
  491   2HZ   LYS  68          2HZ       LYS  68   8.262 -19.962   1.184
  492   3HZ   LYS  68          3HZ       LYS  68   8.877 -18.498   1.615
  493    HHA  HEC  69           HCM      HEC  69   8.534   6.987  -1.466
  494    HHB  HEC  69           HDM      HEC  69   6.951  10.393  -6.570
  495    HHC  HEC  69           HAM      HEC  69   1.405   7.138  -6.887
  496    HHD  HEC  69           HBM      HEC  69   2.573   4.977  -0.964
  497   1HMA  HEC  69          HM81      HEC  69   9.045  11.494  -5.146
  498   2HMA  HEC  69          HM82      HEC  69  10.396  10.346  -5.057
  499   3HMA  HEC  69          HM83      HEC  69   9.279  10.258  -6.413
  500   1HAA  HEC  69          HP71      HEC  69  10.701   9.692  -2.971
  501   2HAA  HEC  69          HP72      HEC  69  10.117   8.578  -1.766
  502   1HBA  HEC  69          HP73      HEC  69  10.709   6.668  -3.154
  503   2HBA  HEC  69          HP74      HEC  69  11.178   7.751  -4.476
  504   1HMB  HEC  69          HM11      HEC  69   6.081  10.908  -8.425
  505   2HMB  HEC  69          HM12      HEC  69   5.087  10.095  -9.615
  506   3HMB  HEC  69          HM13      HEC  69   4.409  11.430  -8.644
  507    HAB  HEC  69          HT2A      HEC  69   1.457   8.478  -8.519
  508   1HBB  HEC  69          HT21      HEC  69   2.840  10.639 -10.093
  509   2HBB  HEC  69          HT22      HEC  69   3.166   8.913 -10.396
  510   3HBB  HEC  69          HT23      HEC  69   1.535   9.562 -10.571
  511   1HMC  HEC  69          HM31      HEC  69  -0.676   6.722  -5.692
  512   2HMC  HEC  69          HM32      HEC  69  -0.144   5.147  -6.313
  513   3HMC  HEC  69          HM33      HEC  69  -1.151   5.244  -4.871
  514    HAC  HEC  69          HT4A      HEC  69   0.548   4.703  -1.372
  515   1HBC  HEC  69          HT41      HEC  69  -0.876   3.415  -3.707
  516   2HBC  HEC  69          HT42      HEC  69   0.527   2.727  -2.873
  517   3HBC  HEC  69          HT43      HEC  69  -0.989   2.995  -1.994
  518   1HMD  HEC  69          HM51      HEC  69   4.096   3.576   0.212
  519   2HMD  HEC  69          HM52      HEC  69   5.221   4.174   1.461
  520   3HMD  HEC  69          HM53      HEC  69   3.657   4.987   1.178
  521   1HAD  HEC  69          HP61      HEC  69   8.355   6.138   0.449
  522   2HAD  HEC  69          HP62      HEC  69   7.104   5.617   1.557
  523   1HBD  HEC  69          HP63      HEC  69   8.718   3.885   1.342
  524   2HBD  HEC  69          HP64      HEC  69   7.209   3.359   0.587
  525    HHA  HEC  70           HCM      HEC  70  -3.800  -4.921  -6.376
  526    HHB  HEC  70           HDM      HEC  70   0.329  -4.229  -1.535
  527    HHC  HEC  70           HAM      HEC  70  -2.189   1.473  -0.236
  528    HHD  HEC  70           HBM      HEC  70  -6.573   0.538  -4.751
  529   1HMA  HEC  70          HM81      HEC  70   0.328  -6.390  -2.237
  530   2HMA  HEC  70          HM82      HEC  70   0.053  -7.318  -3.703
  531   3HMA  HEC  70          HM83      HEC  70   1.194  -5.949  -3.725
  532   1HAA  HEC  70          HP71      HEC  70  -2.108  -6.373  -6.658
  533   2HAA  HEC  70          HP72      HEC  70  -0.864  -7.188  -5.748
  534   1HBA  HEC  70          HP73      HEC  70  -2.544  -8.149  -4.226
  535   2HBA  HEC  70          HP74      HEC  70  -3.824  -7.280  -5.086
  536   1HMB  HEC  70          HM11      HEC  70   1.651  -3.265  -0.044
  537   2HMB  HEC  70          HM12      HEC  70   1.638  -1.937   1.120
  538   3HMB  HEC  70          HM13      HEC  70   0.446  -3.243   1.249
  539    HAB  HEC  70          HT2A      HEC  70  -0.931   1.066   1.265
  540   1HBB  HEC  70          HT21      HEC  70   1.970   0.272   1.168
  541   2HBB  HEC  70          HT22      HEC  70   1.216   1.511   0.156
  542   3HBB  HEC  70          HT23      HEC  70   1.195   1.685   1.915
  543   1HMC  HEC  70          HM31      HEC  70  -4.788   3.576  -0.470
  544   2HMC  HEC  70          HM32      HEC  70  -3.037   3.410  -0.608
  545   3HMC  HEC  70          HM33      HEC  70  -3.918   4.226  -1.876
  546    HAC  HEC  70          HT4A      HEC  70  -7.170   2.169  -3.640
  547   1HBC  HEC  70          HT41      HEC  70  -5.685   3.856  -4.550
  548   2HBC  HEC  70          HT42      HEC  70  -7.237   4.457  -3.926
  549   3HBC  HEC  70          HT43      HEC  70  -5.756   4.735  -2.991
  550   1HMD  HEC  70          HM51      HEC  70  -6.795   0.272  -6.942
  551   2HMD  HEC  70          HM52      HEC  70  -7.142  -1.088  -8.000
  552   3HMD  HEC  70          HM53      HEC  70  -8.059  -0.898  -6.482
  553   1HAD  HEC  70          HP61      HEC  70  -5.595  -4.495  -7.831
  554   2HAD  HEC  70          HP62      HEC  70  -6.367  -3.065  -8.504
  555   1HBD  HEC  70          HP63      HEC  70  -3.366  -3.554  -8.326
  556   2HBD  HEC  70          HP64      HEC  70  -4.370  -3.614  -9.775
  557    HHA  HEC  71           HCM      HEC  71   3.627  -4.186   9.235
  558    HHB  HEC  71           HDM      HEC  71   0.851  -9.726  10.910
  559    HHC  HEC  71           HAM      HEC  71  -2.671  -9.512   5.555
  560    HHD  HEC  71           HBM      HEC  71   0.303  -4.206   3.817
  561   1HMA  HEC  71          HM81      HEC  71   3.201  -9.316  12.120
  562   2HMA  HEC  71          HM82      HEC  71   3.386  -7.817  13.046
  563   3HMA  HEC  71          HM83      HEC  71   1.785  -8.549  12.880
  564   1HAA  HEC  71          HP71      HEC  71   4.731  -4.952  10.897
  565   2HAA  HEC  71          HP72      HEC  71   4.370  -5.818  12.384
  566   1HBA  HEC  71          HP73      HEC  71   5.463  -7.795  11.544
  567   2HBA  HEC  71          HP74      HEC  71   5.661  -7.050   9.925
  568   1HMB  HEC  71          HM11      HEC  71  -1.431 -11.295  11.013
  569   2HMB  HEC  71          HM12      HEC  71  -1.501 -12.505   9.713
  570   3HMB  HEC  71          HM13      HEC  71   0.065 -11.929  10.291
  571    HAB  HEC  71          HT2A      HEC  71  -3.770 -10.618   7.026
  572   1HBB  HEC  71          HT21      HEC  71  -5.088 -11.385   8.823
  573   2HBB  HEC  71          HT22      HEC  71  -3.688 -11.532   9.894
  574   3HBB  HEC  71          HT23      HEC  71  -4.211  -9.929   9.332
  575   1HMC  HEC  71          HM31      HEC  71  -2.696  -9.261   3.276
  576   2HMC  HEC  71          HM32      HEC  71  -4.067  -8.235   3.736
  577   3HMC  HEC  71          HM33      HEC  71  -3.130  -7.893   2.265
  578    HAC  HEC  71          HT4A      HEC  71  -1.291  -4.428   2.516
  579   1HBC  HEC  71          HT41      HEC  71  -3.389  -4.380   1.389
  580   2HBC  HEC  71          HT42      HEC  71  -3.955  -5.825   2.225
  581   3HBC  HEC  71          HT43      HEC  71  -3.627  -4.339   3.147
  582   1HMD  HEC  71          HM51      HEC  71   1.827  -2.736   3.573
  583   2HMD  HEC  71          HM52      HEC  71   1.966  -1.470   4.762
  584   3HMD  HEC  71          HM53      HEC  71   3.403  -2.360   4.281
  585   1HAD  HEC  71          HP61      HEC  71   3.813  -1.487   6.542
  586   2HAD  HEC  71          HP62      HEC  71   3.300  -1.868   8.160
  587   1HBD  HEC  71          HP63      HEC  71   5.257  -3.775   7.762
  588   2HBD  HEC  71          HP64      HEC  71   5.827  -2.431   6.769
  Start of MODEL   21
    1   1H    ALA   1          1H        ALA   1  10.893   1.230 -13.678
    2   2H    ALA   1          2H        ALA   1  11.980   0.006 -13.932
    3   3H    ALA   1          3H        ALA   1  10.386  -0.315 -13.631
    4    HA   ALA   1           HA       ALA   1  11.804  -0.720 -11.683
    5   1HB   ALA   1          1HB       ALA   1  13.462   1.050 -12.075
    6   2HB   ALA   1          2HB       ALA   1  12.220   2.298 -11.826
    7   3HB   ALA   1          3HB       ALA   1  12.701   1.240 -10.485
    8    H    ASP   2           H        ASP   2   9.401  -1.133 -12.108
    9    HA   ASP   2           HA       ASP   2   7.532   0.825 -11.586
   10   1HB   ASP   2          1HB       ASP   2   7.406  -2.203 -12.064
   11   2HB   ASP   2          2HB       ASP   2   6.086  -1.089 -12.330
   12    H    VAL   3           H        VAL   3   8.719  -1.848  -9.673
   13    HA   VAL   3           HA       VAL   3   6.592  -1.493  -7.653
   14    HB   VAL   3           HB       VAL   3   6.271  -3.563  -8.886
   15   1HG1  VAL   3          1HG1      VAL   3   8.435  -3.867  -9.960
   16   2HG1  VAL   3          2HG1      VAL   3   9.212  -4.180  -8.389
   17   3HG1  VAL   3          3HG1      VAL   3   8.026  -5.319  -9.052
   18   1HG2  VAL   3          1HG2      VAL   3   7.678  -4.365  -6.302
   19   2HG2  VAL   3          2HG2      VAL   3   5.990  -3.830  -6.434
   20   3HG2  VAL   3          3HG2      VAL   3   6.501  -5.313  -7.228
   21    H    VAL   4           H        VAL   4   7.057  -1.794  -5.463
   22    HA   VAL   4           HA       VAL   4   9.940  -1.677  -4.695
   23    HB   VAL   4           HB       VAL   4   7.643   0.075  -3.772
   24   1HG1  VAL   4          1HG1      VAL   4  10.442  -0.206  -2.568
   25   2HG1  VAL   4          2HG1      VAL   4   9.299   1.093  -2.181
   26   3HG1  VAL   4          3HG1      VAL   4   8.913  -0.565  -1.751
   27   1HG2  VAL   4          1HG2      VAL   4   8.784   0.895  -5.781
   28   2HG2  VAL   4          2HG2      VAL   4   9.209   1.902  -4.380
   29   3HG2  VAL   4          3HG2      VAL   4  10.361   0.696  -4.982
   30    H    THR   5           H        THR   5  10.218  -2.367  -2.438
   31    HA   THR   5           HA       THR   5   7.800  -3.274  -1.209
   32    HB   THR   5           HB       THR   5   8.852  -5.450  -1.866
   33    HG1  THR   5           HG1      THR   5   7.893  -5.009   0.194
   34   1HG2  THR   5          1HG2      THR   5  11.035  -6.149  -0.959
   35   2HG2  THR   5          2HG2      THR   5  11.228  -4.764  -2.048
   36   3HG2  THR   5          3HG2      THR   5  11.307  -4.535  -0.289
   37    H    TYR   6           H        TYR   6   7.703  -3.039   0.912
   38    HA   TYR   6           HA       TYR   6   9.302  -1.007   2.171
   39   1HB   TYR   6          1HB       TYR   6   7.364  -3.031   3.326
   40   2HB   TYR   6          2HB       TYR   6   7.985  -1.640   4.187
   41    HD1  TYR   6           HD1      TYR   6   5.050  -2.647   3.006
   42    HD2  TYR   6           HD2      TYR   6   7.771   0.609   2.281
   43    HE1  TYR   6           HE1      TYR   6   3.371  -1.544   1.551
   44    HE2  TYR   6           HE2      TYR   6   6.073   1.645   0.847
   45    HH   TYR   6           HH       TYR   6   4.126   0.814  -0.540
   46    H    GLU   7           H        GLU   7   9.501  -4.452   1.801
   47    HA   GLU   7           HA       GLU   7  10.295  -6.131   2.821
   48   1HB   GLU   7          1HB       GLU   7  12.541  -6.414   3.259
   49   2HB   GLU   7          2HB       GLU   7  12.447  -5.239   1.952
   50   1HG   GLU   7          1HG       GLU   7  13.080  -3.441   3.459
   51   2HG   GLU   7          2HG       GLU   7  12.918  -4.495   4.875
   52    H    ASN   8           H        ASN   8  10.741  -7.309   4.819
   53    HA   ASN   8           HA       ASN   8  10.215  -5.966   7.367
   54   1HB   ASN   8          1HB       ASN   8   8.113  -7.694   5.997
   55   2HB   ASN   8          2HB       ASN   8   8.098  -7.336   7.729
   56   1HD2  ASN   8          1HD2      ASN   8   6.643  -6.447   4.927
   57   2HD2  ASN   8          2HD2      ASN   8   6.274  -4.774   5.352
   58    H    LYS   9           H        LYS   9  10.443  -7.326   9.097
   59    HA   LYS   9           HA       LYS   9  11.662  -9.933   8.801
   60   1HB   LYS   9          1HB       LYS   9  11.600 -10.003  11.182
   61   2HB   LYS   9          2HB       LYS   9  12.058  -8.372  10.698
   62   1HG   LYS   9          1HG       LYS   9   9.556  -7.727  11.075
   63   2HG   LYS   9          2HG       LYS   9   9.376  -9.338  11.779
   64   1HD   LYS   9          1HD       LYS   9   9.675  -7.836  13.544
   65   2HD   LYS   9          2HD       LYS   9  11.175  -8.771  13.441
   66   1HE   LYS   9          1HE       LYS   9  12.434  -6.897  12.945
   67   2HE   LYS   9          2HE       LYS   9  11.228  -6.285  11.802
   68   1HZ   LYS   9          1HZ       LYS   9   9.916  -5.508  13.573
   69   2HZ   LYS   9          2HZ       LYS   9  11.005  -5.983  14.712
   70   3HZ   LYS   9          3HZ       LYS   9  11.395  -4.801  13.618
   71    H    LYS  10           H        LYS  10   8.402  -8.672   9.356
   72    HA   LYS  10           HA       LYS  10   7.035 -11.056   9.995
   73   1HB   LYS  10          1HB       LYS  10   6.053  -8.879  10.372
   74   2HB   LYS  10          2HB       LYS  10   6.211  -8.432   8.683
   75   1HG   LYS  10          1HG       LYS  10   3.890  -8.897   9.317
   76   2HG   LYS  10          2HG       LYS  10   4.460  -9.850   7.969
   77   1HD   LYS  10          1HD       LYS  10   3.076 -11.192   9.443
   78   2HD   LYS  10          2HD       LYS  10   4.711 -11.844   9.368
   79   1HE   LYS  10          1HE       LYS  10   5.207 -10.627  11.571
   80   2HE   LYS  10          2HE       LYS  10   3.484 -10.209  11.631
   81   1HZ   LYS  10          1HZ       LYS  10   4.613 -12.930  11.591
   82   2HZ   LYS  10          2HZ       LYS  10   3.999 -12.162  12.907
   83   3HZ   LYS  10          3HZ       LYS  10   3.006 -12.569  11.661
   84    H    GLY  11           H        GLY  11   7.464  -9.432   6.856
   85   1HA   GLY  11          1HA       GLY  11   7.701 -11.588   5.131
   86   2HA   GLY  11          2HA       GLY  11   5.949 -11.350   5.344
   87    H    ASN  12           H        ASN  12   8.324 -10.521   3.279
   88    HA   ASN  12           HA       ASN  12   8.285  -7.664   3.196
   89   1HB   ASN  12          1HB       ASN  12   8.869  -9.762   1.057
   90   2HB   ASN  12          2HB       ASN  12   8.911  -8.037   0.729
   91   1HD2  ASN  12          1HD2      ASN  12  10.071  -9.192   3.928
   92   2HD2  ASN  12          2HD2      ASN  12  11.748  -8.879   3.532
   93    H    VAL  13           H        VAL  13   7.026  -6.237   2.169
   94    HA   VAL  13           HA       VAL  13   4.402  -7.161   1.074
   95    HB   VAL  13           HB       VAL  13   5.410  -4.590   2.313
   96   1HG1  VAL  13          1HG1      VAL  13   2.950  -5.167   0.628
   97   2HG1  VAL  13          2HG1      VAL  13   2.862  -3.954   1.905
   98   3HG1  VAL  13          3HG1      VAL  13   4.029  -3.751   0.596
   99   1HG2  VAL  13          1HG2      VAL  13   3.692  -4.952   3.979
  100   2HG2  VAL  13          2HG2      VAL  13   3.103  -6.401   3.131
  101   3HG2  VAL  13          3HG2      VAL  13   4.716  -6.387   3.875
  102    H    THR  14           H        THR  14   4.811  -7.467  -1.105
  103    HA   THR  14           HA       THR  14   6.492  -5.520  -2.572
  104    HB   THR  14           HB       THR  14   6.592  -7.866  -3.242
  105    HG1  THR  14           HG1      THR  14   6.875  -6.169  -4.757
  106   1HG2  THR  14          1HG2      THR  14   4.238  -8.581  -2.770
  107   2HG2  THR  14          2HG2      THR  14   3.693  -7.598  -4.147
  108   3HG2  THR  14          3HG2      THR  14   4.777  -8.971  -4.411
  109    H    PHE  15           H        PHE  15   5.599  -3.691  -3.513
  110    HA   PHE  15           HA       PHE  15   2.692  -3.663  -4.016
  111   1HB   PHE  15          1HB       PHE  15   2.316  -1.544  -3.007
  112   2HB   PHE  15          2HB       PHE  15   3.025  -2.586  -1.789
  113    HD1  PHE  15           HD1      PHE  15   5.463  -2.326  -1.193
  114    HD2  PHE  15           HD2      PHE  15   3.363   0.516  -3.675
  115    HE1  PHE  15           HE1      PHE  15   7.070  -0.555  -0.548
  116    HE2  PHE  15           HE2      PHE  15   4.986   2.281  -3.027
  117    HZ   PHE  15           HZ       PHE  15   6.796   1.736  -1.385
  118    H    ASP  16           H        ASP  16   2.441  -3.117  -6.089
  119    HA   ASP  16           HA       ASP  16   4.669  -2.138  -7.621
  120   1HB   ASP  16          1HB       ASP  16   2.954  -3.638  -8.508
  121   2HB   ASP  16          2HB       ASP  16   1.797  -2.316  -8.452
  122    H    HIS  17           H        HIS  17   4.744   0.017  -8.592
  123    HA   HIS  17           HA       HIS  17   3.641   2.140  -6.768
  124   1HB   HIS  17          1HB       HIS  17   6.317   1.509  -7.257
  125   2HB   HIS  17          2HB       HIS  17   6.048   2.765  -8.440
  126    HD1  HIS  17           HND      HIS  17   7.566   2.707  -5.386
  127    HD2  HIS  17           HD       HIS  17   4.273   4.848  -6.885
  128    HE1  HIS  17           HE       HIS  17   7.365   4.812  -3.985
  129    H    LYS  18           H        LYS  18   5.023   1.576  -9.924
  130    HA   LYS  18           HA       LYS  18   3.871   3.517 -11.579
  131   1HB   LYS  18          1HB       LYS  18   5.684   2.259 -12.290
  132   2HB   LYS  18          2HB       LYS  18   4.970   0.722 -11.820
  133   1HG   LYS  18          1HG       LYS  18   3.792   2.268 -14.147
  134   2HG   LYS  18          2HG       LYS  18   5.282   1.306 -14.248
  135   1HD   LYS  18          1HD       LYS  18   4.190  -0.702 -13.423
  136   2HD   LYS  18          2HD       LYS  18   2.618   0.146 -13.508
  137   1HE   LYS  18          1HE       LYS  18   3.228   0.663 -15.966
  138   2HE   LYS  18          2HE       LYS  18   4.451  -0.618 -15.778
  139   1HZ   LYS  18          1HZ       LYS  18   2.368  -1.475 -16.613
  140   2HZ   LYS  18          2HZ       LYS  18   2.575  -2.053 -15.072
  141   3HZ   LYS  18          3HZ       LYS  18   1.536  -0.808 -15.374
  142    H    ALA  19           H        ALA  19   2.767   0.175 -11.004
  143    HA   ALA  19           HA       ALA  19   0.357   0.266 -12.437
  144   1HB   ALA  19          1HB       ALA  19   1.228  -1.783 -11.422
  145   2HB   ALA  19          2HB       ALA  19   0.793  -1.091  -9.818
  146   3HB   ALA  19          3HB       ALA  19  -0.476  -1.500 -10.986
  147    H    HIS  20           H        HIS  20   0.695   0.883  -8.880
  148    HA   HIS  20           HA       HIS  20  -2.043   1.600  -8.465
  149   1HB   HIS  20          1HB       HIS  20   0.522   2.249  -6.971
  150   2HB   HIS  20          2HB       HIS  20  -1.029   2.922  -6.496
  151    HD1  HIS  20           HND      HIS  20   0.834  -0.391  -6.426
  152    HD2  HIS  20           HD       HIS  20  -2.775   1.359  -5.214
  153    HE1  HIS  20           HE       HIS  20  -0.264  -2.019  -4.800
  154    H    ALA  21           H        ALA  21   0.800   3.391  -9.554
  155    HA   ALA  21           HA       ALA  21  -0.412   6.005  -9.467
  156   1HB   ALA  21          1HB       ALA  21   1.874   5.066 -11.243
  157   2HB   ALA  21          2HB       ALA  21   1.411   6.732 -10.883
  158   3HB   ALA  21          3HB       ALA  21   2.019   5.670  -9.591
  159    H    GLU  22           H        GLU  22  -0.078   3.733 -12.212
  160    HA   GLU  22           HA       GLU  22  -1.436   5.529 -14.036
  161   1HB   GLU  22          1HB       GLU  22  -1.242   3.835 -15.715
  162   2HB   GLU  22          2HB       GLU  22   0.266   3.919 -14.802
  163   1HG   GLU  22          1HG       GLU  22  -0.573   1.947 -13.459
  164   2HG   GLU  22          2HG       GLU  22  -1.892   1.775 -14.629
  165    H    LYS  23           H        LYS  23  -2.430   2.638 -12.217
  166    HA   LYS  23           HA       LYS  23  -5.097   2.442 -13.138
  167   1HB   LYS  23          1HB       LYS  23  -3.835   1.786 -10.440
  168   2HB   LYS  23          2HB       LYS  23  -5.418   1.212 -10.949
  169   1HG   LYS  23          1HG       LYS  23  -2.931   0.638 -12.629
  170   2HG   LYS  23          2HG       LYS  23  -3.293  -0.334 -11.215
  171   1HD   LYS  23          1HD       LYS  23  -5.255   0.185 -13.471
  172   2HD   LYS  23          2HD       LYS  23  -4.064  -1.134 -13.492
  173   1HE   LYS  23          1HE       LYS  23  -5.027  -1.808 -11.161
  174   2HE   LYS  23          2HE       LYS  23  -6.421  -0.792 -11.559
  175   1HZ   LYS  23          1HZ       LYS  23  -6.848  -2.264 -13.410
  176   2HZ   LYS  23          2HZ       LYS  23  -5.455  -3.118 -13.096
  177   3HZ   LYS  23          3HZ       LYS  23  -6.652  -3.131 -12.013
  178    H    LEU  24           H        LEU  24  -3.710   4.191 -10.344
  179    HA   LEU  24           HA       LEU  24  -6.390   5.273  -9.683
  180   1HB   LEU  24          1HB       LEU  24  -3.827   5.540  -8.096
  181   2HB   LEU  24          2HB       LEU  24  -5.480   5.813  -7.567
  182    HG   LEU  24           HG       LEU  24  -4.473   3.061  -8.456
  183   1HD1  LEU  24          1HD1      LEU  24  -3.168   3.654  -6.589
  184   2HD1  LEU  24          2HD1      LEU  24  -4.524   4.373  -5.735
  185   3HD1  LEU  24          3HD1      LEU  24  -4.471   2.614  -5.989
  186   1HD2  LEU  24          1HD2      LEU  24  -7.024   4.053  -7.144
  187   2HD2  LEU  24          2HD2      LEU  24  -6.841   3.186  -8.679
  188   3HD2  LEU  24          3HD2      LEU  24  -6.508   2.354  -7.154
  189    H    GLY  25           H        GLY  25  -3.009   6.623 -10.133
  190   1HA   GLY  25          1HA       GLY  25  -3.302   8.696 -11.621
  191   2HA   GLY  25          2HA       GLY  25  -4.096   9.366 -10.178
  192    H    CYS  26           H        CYS  26  -2.940   9.475  -8.242
  193    HA   CYS  26           HA       CYS  26  -0.269   8.719  -7.688
  194   1HB   CYS  26          1HB       CYS  26   0.070  10.531  -9.673
  195   2HB   CYS  26          2HB       CYS  26  -0.292  11.670  -8.406
  196    H    ASP  27           H        ASP  27  -2.497  11.251  -7.626
  197    HA   ASP  27           HA       ASP  27  -2.501  12.674  -5.217
  198   1HB   ASP  27          1HB       ASP  27  -4.926  12.850  -5.796
  199   2HB   ASP  27          2HB       ASP  27  -3.887  13.180  -7.184
  200    H    ALA  28           H        ALA  28  -3.928   9.627  -6.151
  201    HA   ALA  28           HA       ALA  28  -5.420   8.740  -4.105
  202   1HB   ALA  28          1HB       ALA  28  -4.739   6.465  -4.769
  203   2HB   ALA  28          2HB       ALA  28  -4.938   7.528  -6.182
  204   3HB   ALA  28          3HB       ALA  28  -3.309   7.121  -5.598
  205    H    CYS  29           H        CYS  29  -1.878   8.842  -4.056
  206    HA   CYS  29           HA       CYS  29  -1.928   8.150  -1.125
  207   1HB   CYS  29          1HB       CYS  29   0.270   7.563  -3.101
  208   2HB   CYS  29          2HB       CYS  29   0.235   7.141  -1.379
  209    H    HIS  30           H        HIS  30  -0.319  10.020  -3.756
  210    HA   HIS  30           HA       HIS  30   1.295  11.416  -1.690
  211   1HB   HIS  30          1HB       HIS  30   1.462  11.237  -4.704
  212   2HB   HIS  30          2HB       HIS  30   2.465  12.308  -3.736
  213    HD1  HIS  30           HND      HIS  30   3.912  10.989  -1.724
  214    HD2  HIS  30           HD       HIS  30   2.529   8.887  -5.048
  215    HE1  HIS  30           HE       HIS  30   5.473   8.904  -2.040
  216    H    GLU  31           H        GLU  31  -0.775  12.425  -0.952
  217    HA   GLU  31           HA       GLU  31  -1.692  14.740  -2.481
  218   1HB   GLU  31          1HB       GLU  31  -1.857  14.628   0.575
  219   2HB   GLU  31          2HB       GLU  31  -2.904  15.397  -0.611
  220   1HG   GLU  31          1HG       GLU  31  -3.456  13.048  -1.404
  221   2HG   GLU  31          2HG       GLU  31  -2.638  12.433   0.039
  222    H    GLY  32           H        GLY  32   0.139  14.450   0.495
  223   1HA   GLY  32          1HA       GLY  32   1.087  17.182   0.410
  224   2HA   GLY  32          2HA       GLY  32   1.439  15.976   1.652
  225    H    THR  33           H        THR  33   2.191  16.128  -1.844
  226    HA   THR  33           HA       THR  33   4.081  16.179  -3.022
  227    HB   THR  33           HB       THR  33   5.642  16.827  -0.485
  228    HG1  THR  33           HG1      THR  33   3.896  18.252  -0.848
  229   1HG2  THR  33          1HG2      THR  33   7.151  17.991  -2.000
  230   2HG2  THR  33          2HG2      THR  33   7.087  16.272  -2.414
  231   3HG2  THR  33          3HG2      THR  33   6.207  17.467  -3.404
  232    HA   PRO  34           HA       PRO  34   5.578  11.960  -2.223
  233   1HB   PRO  34          1HB       PRO  34   6.728  11.347  -4.567
  234   2HB   PRO  34          2HB       PRO  34   4.972  11.614  -4.478
  235   1HG   PRO  34          1HG       PRO  34   7.070  13.633  -5.259
  236   2HG   PRO  34          2HG       PRO  34   5.574  13.191  -6.142
  237   1HD   PRO  34          1HD       PRO  34   5.687  15.364  -4.504
  238   2HD   PRO  34          2HD       PRO  34   4.211  14.359  -4.614
  239    H    ALA  35           H        ALA  35   6.949  13.770  -0.808
  240    HA   ALA  35           HA       ALA  35   9.846  13.410  -1.403
  241   1HB   ALA  35          1HB       ALA  35   9.061  15.574  -0.560
  242   2HB   ALA  35          2HB       ALA  35   8.373  14.786   0.878
  243   3HB   ALA  35          3HB       ALA  35  10.135  14.779   0.613
  244    H    LYS  36           H        LYS  36   8.801  11.031  -1.417
  245    HA   LYS  36           HA       LYS  36   8.548   8.982  -0.489
  246   1HB   LYS  36          1HB       LYS  36  10.654  10.165   1.237
  247   2HB   LYS  36          2HB       LYS  36   9.564   9.171   2.185
  248   1HG   LYS  36          1HG       LYS  36   9.920   7.390   0.303
  249   2HG   LYS  36          2HG       LYS  36  11.250   8.442  -0.219
  250   1HD   LYS  36          1HD       LYS  36  11.987   6.563   1.079
  251   2HD   LYS  36          2HD       LYS  36  12.414   8.088   1.876
  252   1HE   LYS  36          1HE       LYS  36  11.022   7.698   3.691
  253   2HE   LYS  36          2HE       LYS  36   9.769   6.942   2.697
  254   1HZ   LYS  36          1HZ       LYS  36  12.203   5.426   3.239
  255   2HZ   LYS  36          2HZ       LYS  36  10.885   5.450   4.257
  256   3HZ   LYS  36          3HZ       LYS  36  10.672   4.965   2.752
  257    H    ILE  37           H        ILE  37   7.436   7.715   1.148
  258    HA   ILE  37           HA       ILE  37   5.788   9.386   3.009
  259    HB   ILE  37           HB       ILE  37   5.035   6.603   2.038
  260   1HG1  ILE  37          1HG1      ILE  37   4.952   8.065   0.150
  261   2HG1  ILE  37          2HG1      ILE  37   3.468   7.323   0.663
  262   1HG2  ILE  37          1HG2      ILE  37   3.969   7.199   4.249
  263   2HG2  ILE  37          2HG2      ILE  37   3.516   8.765   3.603
  264   3HG2  ILE  37          3HG2      ILE  37   2.776   7.285   2.962
  265   1HD1  ILE  37          1HD1      ILE  37   3.055   9.649  -0.041
  266   2HD1  ILE  37          2HD1      ILE  37   2.675   9.475   1.658
  267   3HD1  ILE  37          3HD1      ILE  37   4.204  10.246   1.174
  268    H    ALA  38           H        ALA  38   5.559   6.298   3.866
  269    HA   ALA  38           HA       ALA  38   7.739   5.071   4.870
  270   1HB   ALA  38          1HB       ALA  38   7.779   5.984   7.272
  271   2HB   ALA  38          2HB       ALA  38   8.558   7.040   6.082
  272   3HB   ALA  38          3HB       ALA  38   6.896   7.395   6.641
  273    H    ILE  39           H        ILE  39   5.735   3.840   4.159
  274    HA   ILE  39           HA       ILE  39   3.396   3.952   5.911
  275    HB   ILE  39           HB       ILE  39   4.270   2.141   3.652
  276   1HG1  ILE  39          1HG1      ILE  39   3.565   4.499   3.128
  277   2HG1  ILE  39          2HG1      ILE  39   2.608   3.220   2.387
  278   1HG2  ILE  39          1HG2      ILE  39   2.977   0.767   5.157
  279   2HG2  ILE  39          2HG2      ILE  39   1.690   1.972   5.256
  280   3HG2  ILE  39          3HG2      ILE  39   2.031   1.129   3.720
  281   1HD1  ILE  39          1HD1      ILE  39   1.765   4.920   4.773
  282   2HD1  ILE  39          2HD1      ILE  39   1.187   5.052   3.109
  283   3HD1  ILE  39          3HD1      ILE  39   0.805   3.608   4.050
  284    H    ASP  40           H        ASP  40   3.324   3.103   7.811
  285    HA   ASP  40           HA       ASP  40   5.063   0.802   8.540
  286   1HB   ASP  40          1HB       ASP  40   5.057   1.406  10.742
  287   2HB   ASP  40          2HB       ASP  40   5.262   2.934   9.938
  288    H    LYS  41           H        LYS  41   4.038  -0.530  10.112
  289    HA   LYS  41           HA       LYS  41   1.762  -1.890   9.525
  290   1HB   LYS  41          1HB       LYS  41   1.751  -2.584  11.913
  291   2HB   LYS  41          2HB       LYS  41   3.297  -2.656  11.092
  292   1HG   LYS  41          1HG       LYS  41   3.824  -0.363  12.237
  293   2HG   LYS  41          2HG       LYS  41   2.461  -0.770  13.301
  294   1HD   LYS  41          1HD       LYS  41   3.580  -3.016  13.689
  295   2HD   LYS  41          2HD       LYS  41   4.924  -2.435  12.663
  296   1HE   LYS  41          1HE       LYS  41   5.450  -0.665  14.236
  297   2HE   LYS  41          2HE       LYS  41   4.148  -1.202  15.324
  298   1HZ   LYS  41          1HZ       LYS  41   6.407  -2.104  15.858
  299   2HZ   LYS  41          2HZ       LYS  41   5.290  -3.287  15.580
  300   3HZ   LYS  41          3HZ       LYS  41   6.369  -2.955  14.443
  301    H    LYS  42           H        LYS  42   1.829   0.936  11.751
  302    HA   LYS  42           HA       LYS  42  -0.991   0.938  12.321
  303   1HB   LYS  42          1HB       LYS  42   0.906   3.313  12.144
  304   2HB   LYS  42          2HB       LYS  42  -0.716   3.338  12.817
  305   1HG   LYS  42          1HG       LYS  42  -0.111   1.927  14.630
  306   2HG   LYS  42          2HG       LYS  42   1.474   1.548  13.918
  307   1HD   LYS  42          1HD       LYS  42   2.451   3.455  14.626
  308   2HD   LYS  42          2HD       LYS  42   1.108   4.448  14.108
  309   1HE   LYS  42          1HE       LYS  42   1.388   4.722  16.488
  310   2HE   LYS  42          2HE       LYS  42  -0.173   3.969  16.136
  311   1HZ   LYS  42          1HZ       LYS  42   2.253   2.553  17.036
  312   2HZ   LYS  42          2HZ       LYS  42   0.947   2.912  17.970
  313   3HZ   LYS  42          3HZ       LYS  42   0.798   1.847  16.726
  314    H    SER  43           H        SER  43   0.841   3.063  10.009
  315    HA   SER  43           HA       SER  43  -1.385   4.247   8.844
  316   1HB   SER  43          1HB       SER  43   1.211   3.494   7.423
  317   2HB   SER  43          2HB       SER  43   0.086   4.792   6.989
  318    HG   SER  43           HG       SER  43   1.740   4.546   9.303
  319    H    ALA  44           H        ALA  44   0.397   1.479   7.607
  320    HA   ALA  44           HA       ALA  44  -0.901   0.672   5.352
  321   1HB   ALA  44          1HB       ALA  44   0.026  -1.527   5.877
  322   2HB   ALA  44          2HB       ALA  44   1.193  -0.220   6.260
  323   3HB   ALA  44          3HB       ALA  44   0.322  -1.038   7.554
  324    H    HIS  45           H        HIS  45  -1.514  -0.665   8.630
  325    HA   HIS  45           HA       HIS  45  -3.803  -2.166   7.653
  326   1HB   HIS  45          1HB       HIS  45  -2.955  -1.778  10.515
  327   2HB   HIS  45          2HB       HIS  45  -3.919  -3.089   9.843
  328    HD1  HIS  45           HND      HIS  45  -1.091  -3.132  11.521
  329    HD2  HIS  45           HD       HIS  45  -1.787  -4.017   7.473
  330    HE1  HIS  45           HE       HIS  45   0.708  -4.777  10.822
  331    H    LYS  46           H        LYS  46  -3.347   1.035   9.028
  332    HA   LYS  46           HA       LYS  46  -5.967   1.118  10.347
  333   1HB   LYS  46          1HB       LYS  46  -4.030   2.165  11.330
  334   2HB   LYS  46          2HB       LYS  46  -3.789   3.209   9.924
  335   1HG   LYS  46          1HG       LYS  46  -6.193   3.311  11.799
  336   2HG   LYS  46          2HG       LYS  46  -4.718   4.278  11.951
  337   1HD   LYS  46          1HD       LYS  46  -5.218   4.957   9.438
  338   2HD   LYS  46          2HD       LYS  46  -6.840   4.361   9.828
  339   1HE   LYS  46          1HE       LYS  46  -6.980   6.656  10.152
  340   2HE   LYS  46          2HE       LYS  46  -6.816   6.019  11.794
  341   1HZ   LYS  46          1HZ       LYS  46  -4.443   6.585  11.642
  342   2HZ   LYS  46          2HZ       LYS  46  -4.664   7.169  10.119
  343   3HZ   LYS  46          3HZ       LYS  46  -5.383   7.914  11.393
  344    H    ASP  47           H        ASP  47  -4.422   3.204   7.879
  345    HA   ASP  47           HA       ASP  47  -6.602   3.042   6.005
  346   1HB   ASP  47          1HB       ASP  47  -6.248   5.638   7.588
  347   2HB   ASP  47          2HB       ASP  47  -6.931   5.552   5.981
  348    H    ALA  48           H        ALA  48  -4.640   2.175   5.112
  349    HA   ALA  48           HA       ALA  48  -3.770   4.269   3.315
  350   1HB   ALA  48          1HB       ALA  48  -1.397   3.604   3.251
  351   2HB   ALA  48          2HB       ALA  48  -1.847   4.344   4.801
  352   3HB   ALA  48          3HB       ALA  48  -1.638   2.590   4.688
  353    H    CYS  49           H        CYS  49  -2.924   0.854   4.092
  354    HA   CYS  49           HA       CYS  49  -3.586   0.110   1.323
  355   1HB   CYS  49          1HB       CYS  49  -2.596  -1.669   3.475
  356   2HB   CYS  49          2HB       CYS  49  -2.392  -1.858   1.733
  357    H    LYS  50           H        LYS  50  -4.491  -0.866   4.697
  358    HA   LYS  50           HA       LYS  50  -6.481  -2.727   3.701
  359   1HB   LYS  50          1HB       LYS  50  -5.064  -2.942   5.790
  360   2HB   LYS  50          2HB       LYS  50  -6.071  -1.696   6.511
  361   1HG   LYS  50          1HG       LYS  50  -8.007  -3.535   5.674
  362   2HG   LYS  50          2HG       LYS  50  -6.611  -4.572   5.868
  363   1HD   LYS  50          1HD       LYS  50  -7.566  -4.704   7.947
  364   2HD   LYS  50          2HD       LYS  50  -6.351  -3.469   8.233
  365   1HE   LYS  50          1HE       LYS  50  -9.355  -3.049   7.726
  366   2HE   LYS  50          2HE       LYS  50  -8.534  -2.937   9.289
  367   1HZ   LYS  50          1HZ       LYS  50  -8.181  -1.109   7.008
  368   2HZ   LYS  50          2HZ       LYS  50  -8.906  -0.749   8.424
  369   3HZ   LYS  50          3HZ       LYS  50  -7.294  -1.038   8.389
  370    H    THR  51           H        THR  51  -7.227  -0.341   2.600
  371    HA   THR  51           HA       THR  51  -9.860   0.242   3.805
  372    HB   THR  51           HB       THR  51  -7.664   2.343   3.607
  373    HG1  THR  51           HG1      THR  51  -8.747   2.545   5.818
  374   1HG2  THR  51          1HG2      THR  51 -10.654   2.770   4.059
  375   2HG2  THR  51          2HG2      THR  51  -9.383   3.993   4.254
  376   3HG2  THR  51          3HG2      THR  51  -9.726   3.349   2.653
  377    H    CYS  52           H        CYS  52  -7.488   1.020   1.186
  378    HA   CYS  52           HA       CYS  52  -9.541   1.669  -0.700
  379   1HB   CYS  52          1HB       CYS  52  -6.648   0.837  -0.809
  380   2HB   CYS  52          2HB       CYS  52  -7.643   0.723  -2.259
  381    H    HIS  53           H        HIS  53  -7.666  -1.363  -0.310
  382    HA   HIS  53           HA       HIS  53  -9.028  -2.581  -2.388
  383   1HB   HIS  53          1HB       HIS  53  -7.634  -4.229  -0.287
  384   2HB   HIS  53          2HB       HIS  53  -7.724  -4.520  -2.007
  385    HD1  HIS  53           HND      HIS  53  -5.856  -2.345   0.572
  386    HD2  HIS  53           HD       HIS  53  -5.841  -3.131  -3.592
  387    HE1  HIS  53           HE       HIS  53  -3.761  -1.417  -0.372
  388    H    LYS  54           H        LYS  54 -10.837  -1.874   0.011
  389    HA   LYS  54           HA       LYS  54 -11.814  -3.667   1.674
  390   1HB   LYS  54          1HB       LYS  54 -13.336  -1.827  -0.173
  391   2HB   LYS  54          2HB       LYS  54 -14.138  -2.709   1.132
  392   1HG   LYS  54          1HG       LYS  54 -11.619  -1.254   1.831
  393   2HG   LYS  54          2HG       LYS  54 -12.980  -0.236   1.428
  394   1HD   LYS  54          1HD       LYS  54 -12.975  -2.470   3.526
  395   2HD   LYS  54          2HD       LYS  54 -12.591  -0.792   3.894
  396   1HE   LYS  54          1HE       LYS  54 -15.287  -1.817   2.845
  397   2HE   LYS  54          2HE       LYS  54 -14.918  -1.358   4.507
  398   1HZ   LYS  54          1HZ       LYS  54 -16.019   0.405   3.366
  399   2HZ   LYS  54          2HZ       LYS  54 -14.487   0.883   3.725
  400   3HZ   LYS  54          3HZ       LYS  54 -14.880   0.452   2.185
  401    H    SER  55           H        SER  55 -12.910  -3.757  -1.759
  402    HA   SER  55           HA       SER  55 -13.639  -6.632  -1.370
  403   1HB   SER  55          1HB       SER  55 -15.708  -5.240  -1.180
  404   2HB   SER  55          2HB       SER  55 -15.367  -4.562  -2.790
  405    HG   SER  55           HG       SER  55 -15.393  -6.757  -3.552
  406    H    ASN  56           H        ASN  56 -11.264  -5.328  -2.461
  407    HA   ASN  56           HA       ASN  56 -11.552  -5.635  -5.414
  408   1HB   ASN  56          1HB       ASN  56  -9.164  -4.744  -3.757
  409   2HB   ASN  56          2HB       ASN  56  -9.284  -4.771  -5.517
  410   1HD2  ASN  56          1HD2      ASN  56  -8.787  -2.513  -5.604
  411   2HD2  ASN  56          2HD2      ASN  56  -9.981  -1.317  -5.120
  412    H    ASN  57           H        ASN  57  -9.656  -6.846  -2.648
  413    HA   ASN  57           HA       ASN  57  -9.019  -9.338  -4.160
  414   1HB   ASN  57          1HB       ASN  57  -7.042  -7.794  -3.941
  415   2HB   ASN  57          2HB       ASN  57  -7.205  -7.899  -2.178
  416   1HD2  ASN  57          1HD2      ASN  57  -4.894  -8.744  -2.383
  417   2HD2  ASN  57          2HD2      ASN  57  -4.699 -10.445  -2.736
  418    H    GLY  58           H        GLY  58  -8.726 -11.195  -2.756
  419   1HA   GLY  58          1HA       GLY  58 -10.945 -11.425  -0.931
  420   2HA   GLY  58          2HA       GLY  58  -9.793 -12.689  -1.355
  421    HA   PRO  59           HA       PRO  59  -7.734 -12.436   2.532
  422   1HB   PRO  59          1HB       PRO  59  -5.041 -12.045   2.039
  423   2HB   PRO  59          2HB       PRO  59  -5.923 -13.566   1.772
  424   1HG   PRO  59          1HG       PRO  59  -5.314 -11.392  -0.248
  425   2HG   PRO  59          2HG       PRO  59  -5.029 -13.152  -0.415
  426   1HD   PRO  59          1HD       PRO  59  -7.198 -12.050  -1.478
  427   2HD   PRO  59          2HD       PRO  59  -7.389 -13.570  -0.578
  428    H    THR  60           H        THR  60  -8.970 -10.576   2.989
  429    HA   THR  60           HA       THR  60  -7.982  -7.875   2.692
  430    HB   THR  60           HB       THR  60 -10.256  -7.701   4.174
  431    HG1  THR  60           HG1      THR  60 -10.679 -10.093   2.720
  432   1HG2  THR  60          1HG2      THR  60 -10.191  -8.457   1.233
  433   2HG2  THR  60          2HG2      THR  60 -11.553  -7.692   2.075
  434   3HG2  THR  60          3HG2      THR  60 -10.022  -6.816   1.887
  435    H    LYS  61           H        LYS  61  -8.457 -10.222   5.302
  436    HA   LYS  61           HA       LYS  61  -7.660  -8.397   7.426
  437   1HB   LYS  61          1HB       LYS  61  -7.875 -11.442   7.382
  438   2HB   LYS  61          2HB       LYS  61  -7.503 -10.445   8.802
  439   1HG   LYS  61          1HG       LYS  61  -9.670  -9.189   8.387
  440   2HG   LYS  61          2HG       LYS  61 -10.060 -10.382   7.135
  441   1HD   LYS  61          1HD       LYS  61  -9.886 -12.198   8.842
  442   2HD   LYS  61          2HD       LYS  61  -9.503 -10.980  10.079
  443   1HE   LYS  61          1HE       LYS  61 -11.718  -9.867   9.627
  444   2HE   LYS  61          2HE       LYS  61 -12.101 -11.146   8.462
  445   1HZ   LYS  61          1HZ       LYS  61 -13.090 -11.563  10.590
  446   2HZ   LYS  61          2HZ       LYS  61 -11.977 -12.730  10.277
  447   3HZ   LYS  61          3HZ       LYS  61 -11.635 -11.528  11.350
  448    H    CYS  62           H        CYS  62  -5.944 -11.407   6.427
  449    HA   CYS  62           HA       CYS  62  -3.471  -9.856   6.122
  450   1HB   CYS  62          1HB       CYS  62  -3.197 -12.571   7.237
  451   2HB   CYS  62          2HB       CYS  62  -2.073 -11.210   7.241
  452    H    GLY  63           H        GLY  63  -1.833 -11.236   4.919
  453   1HA   GLY  63          1HA       GLY  63  -1.353 -12.829   3.264
  454   2HA   GLY  63          2HA       GLY  63  -3.071 -13.110   2.974
  455    H    GLY  64           H        GLY  64  -3.696 -10.210   2.881
  456   1HA   GLY  64          1HA       GLY  64  -3.824  -9.693   0.253
  457   2HA   GLY  64          2HA       GLY  64  -3.762  -8.441   1.504
  458    H    CYS  65           H        CYS  65  -1.053  -8.844   2.291
  459    HA   CYS  65           HA       CYS  65   0.272  -7.401   0.023
  460   1HB   CYS  65          1HB       CYS  65   0.233  -6.614   2.924
  461   2HB   CYS  65          2HB       CYS  65   0.804  -5.643   1.563
  462    H    HIS  66           H        HIS  66   0.854  -8.686   3.346
  463    HA   HIS  66           HA       HIS  66   3.656  -9.105   3.000
  464   1HB   HIS  66          1HB       HIS  66   1.666 -10.577   4.783
  465   2HB   HIS  66          2HB       HIS  66   3.414 -10.686   4.903
  466    HD1  HIS  66           HND      HIS  66   4.669  -8.187   5.419
  467    HD2  HIS  66           HD       HIS  66   0.536  -8.600   6.216
  468    HE1  HIS  66           HE       HIS  66   3.941  -6.260   6.982
  469    H    ILE  67           H        ILE  67   4.541 -10.468   1.481
  470    HA   ILE  67           HA       ILE  67   3.113 -12.898   0.618
  471    HB   ILE  67           HB       ILE  67   5.988 -12.045   0.146
  472   1HG1  ILE  67          1HG1      ILE  67   4.533 -10.322  -0.752
  473   2HG1  ILE  67          2HG1      ILE  67   5.228 -11.277  -2.059
  474   1HG2  ILE  67          1HG2      ILE  67   5.803 -13.622  -1.791
  475   2HG2  ILE  67          2HG2      ILE  67   5.688 -14.427  -0.223
  476   3HG2  ILE  67          3HG2      ILE  67   4.223 -14.154  -1.177
  477   1HD1  ILE  67          1HD1      ILE  67   2.374 -11.472  -0.992
  478   2HD1  ILE  67          2HD1      ILE  67   2.900 -10.778  -2.527
  479   3HD1  ILE  67          3HD1      ILE  67   3.052 -12.520  -2.263
  480    H    LYS  68           H        LYS  68   2.660 -14.027   2.529
  481    HA   LYS  68           HA       LYS  68   4.848 -15.600   3.611
  482   1HB   LYS  68          1HB       LYS  68   4.737 -13.613   5.112
  483   2HB   LYS  68          2HB       LYS  68   3.007 -13.861   5.347
  484   1HG   LYS  68          1HG       LYS  68   4.616 -16.279   5.957
  485   2HG   LYS  68          2HG       LYS  68   5.139 -14.870   6.876
  486   1HD   LYS  68          1HD       LYS  68   3.546 -16.047   8.199
  487   2HD   LYS  68          2HD       LYS  68   2.805 -14.516   7.685
  488   1HE   LYS  68          1HE       LYS  68   1.509 -15.699   5.942
  489   2HE   LYS  68          2HE       LYS  68   2.352 -17.221   6.316
  490   1HZ   LYS  68          1HZ       LYS  68   1.298 -17.202   8.445
  491   2HZ   LYS  68          2HZ       LYS  68   0.507 -15.792   8.086
  492   3HZ   LYS  68          3HZ       LYS  68   0.205 -17.154   7.218
  493    HHA  HEC  69           HCM      HEC  69   8.618   6.736  -1.731
  494    HHB  HEC  69           HDM      HEC  69   7.172   9.903  -7.002
  495    HHC  HEC  69           HAM      HEC  69   1.539   6.861  -7.328
  496    HHD  HEC  69           HBM      HEC  69   2.603   4.548  -1.494
  497   1HMA  HEC  69          HM81      HEC  69   9.426   9.815  -6.832
  498   2HMA  HEC  69          HM82      HEC  69   9.322  10.982  -5.484
  499   3HMA  HEC  69          HM83      HEC  69  10.600   9.747  -5.527
  500   1HAA  HEC  69          HP71      HEC  69  10.868   9.245  -3.383
  501   2HAA  HEC  69          HP72      HEC  69  10.069   8.426  -2.074
  502   1HBA  HEC  69          HP73      HEC  69  10.532   6.327  -3.837
  503   2HBA  HEC  69          HP74      HEC  69  11.950   7.354  -4.081
  504   1HMB  HEC  69          HM11      HEC  69   6.080  10.864  -8.525
  505   2HMB  HEC  69          HM12      HEC  69   5.452   9.939  -9.899
  506   3HMB  HEC  69          HM13      HEC  69   4.415  11.077  -8.996
  507    HAB  HEC  69          HT2A      HEC  69   1.565   8.287  -8.861
  508   1HBB  HEC  69          HT21      HEC  69   1.633   9.333 -10.909
  509   2HBB  HEC  69          HT22      HEC  69   3.104  10.234 -10.562
  510   3HBB  HEC  69          HT23      HEC  69   3.176   8.476 -10.809
  511   1HMC  HEC  69          HM31      HEC  69  -1.050   5.060  -5.337
  512   2HMC  HEC  69          HM32      HEC  69  -0.582   6.638  -5.964
  513   3HMC  HEC  69          HM33      HEC  69  -0.090   5.158  -6.823
  514    HAC  HEC  69          HT4A      HEC  69   0.548   4.485  -1.823
  515   1HBC  HEC  69          HT41      HEC  69  -0.928   3.214  -4.145
  516   2HBC  HEC  69          HT42      HEC  69   0.465   2.485  -3.328
  517   3HBC  HEC  69          HT43      HEC  69  -1.029   2.817  -2.435
  518   1HMD  HEC  69          HM51      HEC  69   4.293   3.272   0.193
  519   2HMD  HEC  69          HM52      HEC  69   4.997   4.382   1.388
  520   3HMD  HEC  69          HM53      HEC  69   3.438   4.761   0.658
  521   1HAD  HEC  69          HP61      HEC  69   8.433   5.636   0.067
  522   2HAD  HEC  69          HP62      HEC  69   7.183   5.754   1.309
  523   1HBD  HEC  69          HP63      HEC  69   6.887   3.448   1.349
  524   2HBD  HEC  69          HP64      HEC  69   7.848   3.197  -0.138
  525    HHA  HEC  70           HCM      HEC  70  -3.603  -4.505  -6.677
  526    HHB  HEC  70           HDM      HEC  70  -0.013  -4.034  -1.356
  527    HHC  HEC  70           HAM      HEC  70  -2.481   1.714  -0.264
  528    HHD  HEC  70           HBM      HEC  70  -6.456   0.978  -5.163
  529   1HMA  HEC  70          HM81      HEC  70  -0.603  -6.893  -2.470
  530   2HMA  HEC  70          HM82      HEC  70   0.302  -6.754  -3.994
  531   3HMA  HEC  70          HM83      HEC  70   0.735  -5.732  -2.631
  532   1HAA  HEC  70          HP71      HEC  70  -1.508  -7.311  -5.281
  533   2HAA  HEC  70          HP72      HEC  70  -2.894  -6.588  -6.070
  534   1HBA  HEC  70          HP73      HEC  70  -1.325  -5.178  -7.439
  535   2HBA  HEC  70          HP74      HEC  70   0.028  -6.039  -6.693
  536   1HMB  HEC  70          HM11      HEC  70   0.182  -3.240   1.070
  537   2HMB  HEC  70          HM12      HEC  70   1.511  -2.751  -0.008
  538   3HMB  HEC  70          HM13      HEC  70   1.100  -1.762   1.398
  539    HAB  HEC  70          HT2A      HEC  70  -1.278   1.310   1.289
  540   1HBB  HEC  70          HT21      HEC  70   0.803   1.973   1.963
  541   2HBB  HEC  70          HT22      HEC  70   1.578   0.460   1.454
  542   3HBB  HEC  70          HT23      HEC  70   1.003   1.619   0.238
  543   1HMC  HEC  70          HM31      HEC  70  -4.473   4.518  -1.815
  544   2HMC  HEC  70          HM32      HEC  70  -4.848   3.577  -0.368
  545   3HMC  HEC  70          HM33      HEC  70  -3.167   3.764  -0.921
  546    HAC  HEC  70          HT4A      HEC  70  -7.340   2.296  -3.771
  547   1HBC  HEC  70          HT41      HEC  70  -6.516   4.039  -4.958
  548   2HBC  HEC  70          HT42      HEC  70  -7.532   4.778  -3.722
  549   3HBC  HEC  70          HT43      HEC  70  -5.763   4.838  -3.550
  550   1HMD  HEC  70          HM51      HEC  70  -7.687   0.038  -6.678
  551   2HMD  HEC  70          HM52      HEC  70  -6.556   0.175  -8.035
  552   3HMD  HEC  70          HM53      HEC  70  -7.621  -1.240  -7.902
  553   1HAD  HEC  70          HP61      HEC  70  -5.598  -2.317  -8.994
  554   2HAD  HEC  70          HP62      HEC  70  -4.640  -3.702  -8.524
  555   1HBD  HEC  70          HP63      HEC  70  -6.513  -4.995  -8.057
  556   2HBD  HEC  70          HP64      HEC  70  -7.491  -3.606  -7.570
  557    HHA  HEC  71           HCM      HEC  71   4.407  -3.512   9.150
  558    HHB  HEC  71           HDM      HEC  71   1.451  -8.654  11.500
  559    HHC  HEC  71           HAM      HEC  71  -2.923  -8.053   6.920
  560    HHD  HEC  71           HBM      HEC  71   0.610  -3.711   3.996
  561   1HMA  HEC  71          HM81      HEC  71   2.793  -7.814  13.075
  562   2HMA  HEC  71          HM82      HEC  71   4.397  -8.215  12.391
  563   3HMA  HEC  71          HM83      HEC  71   4.148  -6.714  13.281
  564   1HAA  HEC  71          HP71      HEC  71   5.387  -3.966  11.005
  565   2HAA  HEC  71          HP72      HEC  71   4.720  -4.656  12.481
  566   1HBA  HEC  71          HP73      HEC  71   6.177  -6.740  11.924
  567   2HBA  HEC  71          HP74      HEC  71   6.984  -5.680  10.771
  568   1HMB  HEC  71          HM11      HEC  71  -1.566 -10.916  11.107
  569   2HMB  HEC  71          HM12      HEC  71   0.184 -10.715  11.247
  570   3HMB  HEC  71          HM13      HEC  71  -0.910  -9.671  12.195
  571    HAB  HEC  71          HT2A      HEC  71  -3.837  -8.912   8.604
  572   1HBB  HEC  71          HT21      HEC  71  -3.427  -9.474  11.517
  573   2HBB  HEC  71          HT22      HEC  71  -3.756  -7.889  10.774
  574   3HBB  HEC  71          HT23      HEC  71  -4.949  -9.194  10.649
  575   1HMC  HEC  71          HM31      HEC  71  -4.219  -7.009   4.943
  576   2HMC  HEC  71          HM32      HEC  71  -3.362  -7.152   3.380
  577   3HMC  HEC  71          HM33      HEC  71  -3.071  -8.332   4.643
  578    HAC  HEC  71          HT4A      HEC  71  -1.295  -3.797   3.029
  579   1HBC  HEC  71          HT41      HEC  71  -3.554  -3.649   4.016
  580   2HBC  HEC  71          HT42      HEC  71  -3.587  -3.719   2.235
  581   3HBC  HEC  71          HT43      HEC  71  -4.037  -5.120   3.177
  582   1HMD  HEC  71          HM51      HEC  71   2.721  -2.603   3.538
  583   2HMD  HEC  71          HM52      HEC  71   1.663  -1.430   4.305
  584   3HMD  HEC  71          HM53      HEC  71   3.415  -1.248   4.423
  585   1HAD  HEC  71          HP61      HEC  71   4.820  -1.295   5.977
  586   2HAD  HEC  71          HP62      HEC  71   4.180  -1.018   7.562
  587   1HBD  HEC  71          HP63      HEC  71   5.850  -3.358   7.596
  588   2HBD  HEC  71          HP64      HEC  71   6.681  -2.073   6.749
  Start of MODEL   22
    1   1H    ALA   1          1H        ALA   1   6.653   5.219  -7.060
    2   2H    ALA   1          2H        ALA   1   6.887   6.815  -7.164
    3   3H    ALA   1          3H        ALA   1   6.010   6.035  -8.319
    4    HA   ALA   1           HA       ALA   1   8.138   6.467  -9.240
    5   1HB   ALA   1          1HB       ALA   1   9.409   6.700  -7.189
    6   2HB   ALA   1          2HB       ALA   1   9.228   4.980  -6.811
    7   3HB   ALA   1          3HB       ALA   1  10.163   5.483  -8.232
    8    H    ASP   2           H        ASP   2   8.609   3.262  -7.724
    9    HA   ASP   2           HA       ASP   2   7.580   1.640  -9.831
   10   1HB   ASP   2          1HB       ASP   2   9.732   0.790 -10.498
   11   2HB   ASP   2          2HB       ASP   2   9.732   2.533 -10.784
   12    H    VAL   3           H        VAL   3   8.314  -0.679  -9.165
   13    HA   VAL   3           HA       VAL   3   7.038  -1.036  -6.731
   14    HB   VAL   3           HB       VAL   3   6.944  -2.694  -8.466
   15   1HG1  VAL   3          1HG1      VAL   3   9.214  -2.509  -9.435
   16   2HG1  VAL   3          2HG1      VAL   3   9.892  -3.297  -7.997
   17   3HG1  VAL   3          3HG1      VAL   3   8.788  -4.181  -9.063
   18   1HG2  VAL   3          1HG2      VAL   3   7.245  -4.757  -7.237
   19   2HG2  VAL   3          2HG2      VAL   3   8.374  -3.992  -6.105
   20   3HG2  VAL   3          3HG2      VAL   3   6.667  -3.525  -6.115
   21    H    VAL   4           H        VAL   4   7.543  -1.388  -4.611
   22    HA   VAL   4           HA       VAL   4  10.411  -1.625  -3.846
   23    HB   VAL   4           HB       VAL   4   8.470   0.471  -2.841
   24   1HG1  VAL   4          1HG1      VAL   4  11.157  -0.372  -1.632
   25   2HG1  VAL   4          2HG1      VAL   4  10.294   1.125  -1.235
   26   3HG1  VAL   4          3HG1      VAL   4   9.590  -0.424  -0.814
   27   1HG2  VAL   4          1HG2      VAL   4  10.300   2.016  -3.397
   28   2HG2  VAL   4          2HG2      VAL   4  11.296   0.653  -3.953
   29   3HG2  VAL   4          3HG2      VAL   4   9.817   1.096  -4.824
   30    H    THR   5           H        THR   5  10.654  -2.412  -1.654
   31    HA   THR   5           HA       THR   5   8.205  -3.206  -0.377
   32    HB   THR   5           HB       THR   5   8.897  -5.367  -1.134
   33    HG1  THR   5           HG1      THR   5  10.299  -5.036   1.293
   34   1HG2  THR   5          1HG2      THR   5  11.216  -6.248  -0.934
   35   2HG2  THR   5          2HG2      THR   5  11.081  -4.912  -2.079
   36   3HG2  THR   5          3HG2      THR   5  11.771  -4.627  -0.465
   37    H    TYR   6           H        TYR   6   8.134  -2.955   1.681
   38    HA   TYR   6           HA       TYR   6   9.985  -1.242   3.095
   39   1HB   TYR   6          1HB       TYR   6   7.766  -3.079   4.091
   40   2HB   TYR   6          2HB       TYR   6   8.491  -1.792   5.017
   41    HD1  TYR   6           HD1      TYR   6   8.539   0.493   3.049
   42    HD2  TYR   6           HD2      TYR   6   5.517  -2.504   3.735
   43    HE1  TYR   6           HE1      TYR   6   6.910   1.823   1.816
   44    HE2  TYR   6           HE2      TYR   6   3.864  -1.093   2.573
   45    HH   TYR   6           HH       TYR   6   4.902   1.450   0.562
   46    H    GLU   7           H        GLU   7   9.330  -4.700   3.004
   47    HA   GLU   7           HA       GLU   7  10.474  -6.522   3.613
   48   1HB   GLU   7          1HB       GLU   7  12.608  -5.024   3.202
   49   2HB   GLU   7          2HB       GLU   7  12.701  -5.122   4.968
   50   1HG   GLU   7          1HG       GLU   7  12.741  -7.408   2.961
   51   2HG   GLU   7          2HG       GLU   7  14.093  -6.828   3.936
   52    H    ASN   8           H        ASN   8  10.187  -7.790   5.464
   53    HA   ASN   8           HA       ASN   8   9.975  -6.731   8.107
   54   1HB   ASN   8          1HB       ASN   8   7.381  -7.971   7.120
   55   2HB   ASN   8          2HB       ASN   8   7.708  -7.074   8.614
   56   1HD2  ASN   8          1HD2      ASN   8   7.321  -6.820   5.098
   57   2HD2  ASN   8          2HD2      ASN   8   6.811  -5.120   5.119
   58    H    LYS   9           H        LYS   9  10.037  -8.463   9.551
   59    HA   LYS   9           HA       LYS   9  11.124 -10.881   8.630
   60   1HB   LYS   9          1HB       LYS   9   9.843  -9.936  11.204
   61   2HB   LYS   9          2HB       LYS   9  10.219 -11.645  11.051
   62   1HG   LYS   9          1HG       LYS   9  12.381  -9.623  10.368
   63   2HG   LYS   9          2HG       LYS   9  11.953  -9.906  12.057
   64   1HD   LYS   9          1HD       LYS   9  13.742 -11.359  11.583
   65   2HD   LYS   9          2HD       LYS   9  12.268 -12.334  11.773
   66   1HE   LYS   9          1HE       LYS   9  12.115 -12.707   9.371
   67   2HE   LYS   9          2HE       LYS   9  13.405 -11.523   9.051
   68   1HZ   LYS   9          1HZ       LYS   9  14.933 -13.006  10.148
   69   2HZ   LYS   9          2HZ       LYS   9  13.732 -14.096  10.447
   70   3HZ   LYS   9          3HZ       LYS   9  14.179 -13.762   8.901
   71    H    LYS  10           H        LYS  10   7.840 -10.049   9.334
   72    HA   LYS  10           HA       LYS  10   6.505 -12.531   8.991
   73   1HB   LYS  10          1HB       LYS  10   4.995 -10.503   7.577
   74   2HB   LYS  10          2HB       LYS  10   4.599 -11.344   9.048
   75   1HG   LYS  10          1HG       LYS  10   6.357  -8.832   8.985
   76   2HG   LYS  10          2HG       LYS  10   4.638  -8.795   8.982
   77   1HD   LYS  10          1HD       LYS  10   5.364  -8.562  11.249
   78   2HD   LYS  10          2HD       LYS  10   4.417 -10.043  11.046
   79   1HE   LYS  10          1HE       LYS  10   6.414 -11.396  11.279
   80   2HE   LYS  10          2HE       LYS  10   7.449  -9.932  11.243
   81   1HZ   LYS  10          1HZ       LYS  10   6.553  -9.190  13.223
   82   2HZ   LYS  10          2HZ       LYS  10   5.549 -10.485  13.391
   83   3HZ   LYS  10          3HZ       LYS  10   7.190 -10.675  13.455
   84    H    GLY  11           H        GLY  11   7.304 -10.046   6.541
   85   1HA   GLY  11          1HA       GLY  11   8.465 -11.629   4.696
   86   2HA   GLY  11          2HA       GLY  11   6.754 -11.735   4.231
   87    H    ASN  12           H        ASN  12   8.638 -10.608   2.583
   88    HA   ASN  12           HA       ASN  12   8.980  -7.799   2.861
   89   1HB   ASN  12          1HB       ASN  12   8.950  -9.280   0.212
   90   2HB   ASN  12          2HB       ASN  12   9.881  -7.855   0.643
   91   1HD2  ASN  12          1HD2      ASN  12  10.912  -9.049   3.350
   92   2HD2  ASN  12          2HD2      ASN  12  12.002 -10.244   2.780
   93    H    VAL  13           H        VAL  13   7.374  -6.304   2.762
   94    HA   VAL  13           HA       VAL  13   4.751  -6.918   1.638
   95    HB   VAL  13           HB       VAL  13   6.022  -4.483   2.858
   96   1HG1  VAL  13          1HG1      VAL  13   4.459  -3.590   1.145
   97   2HG1  VAL  13          2HG1      VAL  13   3.220  -4.759   1.654
   98   3HG1  VAL  13          3HG1      VAL  13   3.755  -3.468   2.742
   99   1HG2  VAL  13          1HG2      VAL  13   4.513  -4.942   4.663
  100   2HG2  VAL  13          2HG2      VAL  13   3.537  -6.062   3.681
  101   3HG2  VAL  13          3HG2      VAL  13   5.160  -6.522   4.188
  102    H    THR  14           H        THR  14   5.030  -7.360  -0.536
  103    HA   THR  14           HA       THR  14   6.919  -5.682  -2.094
  104    HB   THR  14           HB       THR  14   5.305  -8.120  -2.895
  105    HG1  THR  14           HG1      THR  14   6.834  -8.385  -1.124
  106   1HG2  THR  14          1HG2      THR  14   7.760  -6.781  -4.133
  107   2HG2  THR  14          2HG2      THR  14   7.045  -8.320  -4.655
  108   3HG2  THR  14          3HG2      THR  14   6.128  -6.813  -4.838
  109    H    PHE  15           H        PHE  15   5.969  -3.656  -2.296
  110    HA   PHE  15           HA       PHE  15   3.167  -3.575  -3.331
  111   1HB   PHE  15          1HB       PHE  15   2.880  -1.486  -2.336
  112   2HB   PHE  15          2HB       PHE  15   3.586  -2.532  -1.135
  113    HD1  PHE  15           HD1      PHE  15   5.946  -2.247  -0.425
  114    HD2  PHE  15           HD2      PHE  15   3.944   0.559  -3.021
  115    HE1  PHE  15           HE1      PHE  15   7.573  -0.494   0.204
  116    HE2  PHE  15           HE2      PHE  15   5.497   2.350  -2.267
  117    HZ   PHE  15           HZ       PHE  15   7.326   1.788  -0.657
  118    H    ASP  16           H        ASP  16   3.148  -3.461  -5.497
  119    HA   ASP  16           HA       ASP  16   5.138  -2.009  -7.030
  120   1HB   ASP  16          1HB       ASP  16   3.646  -3.725  -8.028
  121   2HB   ASP  16          2HB       ASP  16   2.294  -2.608  -7.847
  122    H    HIS  17           H        HIS  17   4.535   0.070  -8.012
  123    HA   HIS  17           HA       HIS  17   3.449   1.986  -5.966
  124   1HB   HIS  17          1HB       HIS  17   5.933   1.344  -5.743
  125   2HB   HIS  17          2HB       HIS  17   6.160   2.076  -7.332
  126    HD1  HIS  17           HND      HIS  17   7.854   3.173  -5.084
  127    HD2  HIS  17           HD       HIS  17   3.978   4.527  -6.005
  128    HE1  HIS  17           HE       HIS  17   7.674   5.554  -4.162
  129    H    LYS  18           H        LYS  18   5.161   1.658  -9.081
  130    HA   LYS  18           HA       LYS  18   3.851   3.742 -10.521
  131   1HB   LYS  18          1HB       LYS  18   5.396   3.434 -11.916
  132   2HB   LYS  18          2HB       LYS  18   6.032   2.199 -10.933
  133   1HG   LYS  18          1HG       LYS  18   3.881   1.475 -12.863
  134   2HG   LYS  18          2HG       LYS  18   5.494   1.830 -13.396
  135   1HD   LYS  18          1HD       LYS  18   6.569   0.129 -12.339
  136   2HD   LYS  18          2HD       LYS  18   5.351  -0.067 -11.115
  137   1HE   LYS  18          1HE       LYS  18   4.924  -0.799 -14.065
  138   2HE   LYS  18          2HE       LYS  18   5.468  -1.951 -12.828
  139   1HZ   LYS  18          1HZ       LYS  18   3.441  -1.639 -11.649
  140   2HZ   LYS  18          2HZ       LYS  18   2.872  -0.541 -12.818
  141   3HZ   LYS  18          3HZ       LYS  18   3.130  -2.103 -13.182
  142    H    ALA  19           H        ALA  19   3.145   0.244 -10.243
  143    HA   ALA  19           HA       ALA  19   0.762   0.038 -11.756
  144   1HB   ALA  19          1HB       ALA  19   1.415  -1.880 -10.513
  145   2HB   ALA  19          2HB       ALA  19   1.292  -0.948  -8.970
  146   3HB   ALA  19          3HB       ALA  19  -0.154  -1.370  -9.903
  147    H    HIS  20           H        HIS  20   0.896   1.075  -8.322
  148    HA   HIS  20           HA       HIS  20  -1.883   1.725  -8.250
  149   1HB   HIS  20          1HB       HIS  20   0.423   2.585  -6.459
  150   2HB   HIS  20          2HB       HIS  20  -1.296   2.871  -6.151
  151    HD1  HIS  20           HND      HIS  20   1.244  -0.019  -6.018
  152    HD2  HIS  20           HD       HIS  20  -2.763   0.897  -5.273
  153    HE1  HIS  20           HE       HIS  20   0.303  -1.962  -4.680
  154    H    ALA  21           H        ALA  21   1.031   3.526  -9.121
  155    HA   ALA  21           HA       ALA  21  -0.193   6.126  -9.314
  156   1HB   ALA  21          1HB       ALA  21   2.288   5.703  -9.343
  157   2HB   ALA  21          2HB       ALA  21   2.126   5.129 -11.010
  158   3HB   ALA  21          3HB       ALA  21   1.682   6.778 -10.637
  159    H    GLU  22           H        GLU  22   0.279   3.629 -11.807
  160    HA   GLU  22           HA       GLU  22  -0.797   5.308 -13.906
  161   1HB   GLU  22          1HB       GLU  22  -0.294   3.488 -15.417
  162   2HB   GLU  22          2HB       GLU  22   1.057   3.799 -14.329
  163   1HG   GLU  22          1HG       GLU  22   0.118   1.827 -12.931
  164   2HG   GLU  22          2HG       GLU  22  -0.812   1.417 -14.371
  165    H    LYS  23           H        LYS  23  -1.965   2.533 -12.014
  166    HA   LYS  23           HA       LYS  23  -4.495   2.259 -13.257
  167   1HB   LYS  23          1HB       LYS  23  -3.577   1.772 -10.391
  168   2HB   LYS  23          2HB       LYS  23  -5.097   1.174 -11.056
  169   1HG   LYS  23          1HG       LYS  23  -2.425   0.501 -12.379
  170   2HG   LYS  23          2HG       LYS  23  -2.990  -0.408 -10.987
  171   1HD   LYS  23          1HD       LYS  23  -4.779   0.054 -13.381
  172   2HD   LYS  23          2HD       LYS  23  -3.491  -1.166 -13.446
  173   1HE   LYS  23          1HE       LYS  23  -4.371  -2.273 -11.409
  174   2HE   LYS  23          2HE       LYS  23  -5.681  -1.090 -11.292
  175   1HZ   LYS  23          1HZ       LYS  23  -6.564  -1.966 -13.339
  176   2HZ   LYS  23          2HZ       LYS  23  -5.305  -3.046 -13.464
  177   3HZ   LYS  23          3HZ       LYS  23  -6.341  -3.136 -12.202
  178    H    LEU  24           H        LEU  24  -3.587   4.162 -10.283
  179    HA   LEU  24           HA       LEU  24  -6.282   5.334 -10.253
  180   1HB   LEU  24          1HB       LEU  24  -3.817   5.771  -8.529
  181   2HB   LEU  24          2HB       LEU  24  -5.353   6.589  -8.335
  182    HG   LEU  24           HG       LEU  24  -4.865   4.729  -6.800
  183   1HD1  LEU  24          1HD1      LEU  24  -7.113   5.661  -7.058
  184   2HD1  LEU  24          2HD1      LEU  24  -7.455   4.529  -8.389
  185   3HD1  LEU  24          3HD1      LEU  24  -7.205   3.920  -6.742
  186   1HD2  LEU  24          1HD2      LEU  24  -3.987   2.996  -8.255
  187   2HD2  LEU  24          2HD2      LEU  24  -5.370   2.431  -7.331
  188   3HD2  LEU  24          3HD2      LEU  24  -5.581   2.829  -9.043
  189    H    GLY  25           H        GLY  25  -2.905   6.668 -10.505
  190   1HA   GLY  25          1HA       GLY  25  -3.059   8.741 -12.122
  191   2HA   GLY  25          2HA       GLY  25  -3.999   9.391 -10.760
  192    H    CYS  26           H        CYS  26  -3.006   9.416  -8.666
  193    HA   CYS  26           HA       CYS  26  -0.390   8.722  -7.940
  194   1HB   CYS  26          1HB       CYS  26   0.081  10.662  -9.805
  195   2HB   CYS  26          2HB       CYS  26  -0.332  11.698  -8.472
  196    H    ASP  27           H        ASP  27  -2.712  11.186  -7.934
  197    HA   ASP  27           HA       ASP  27  -2.874  12.623  -5.600
  198   1HB   ASP  27          1HB       ASP  27  -5.296  12.581  -6.192
  199   2HB   ASP  27          2HB       ASP  27  -4.266  12.974  -7.571
  200    H    ALA  28           H        ALA  28  -4.113   9.465  -6.441
  201    HA   ALA  28           HA       ALA  28  -5.562   8.561  -4.390
  202   1HB   ALA  28          1HB       ALA  28  -5.029   7.265  -6.321
  203   2HB   ALA  28          2HB       ALA  28  -3.319   7.118  -5.860
  204   3HB   ALA  28          3HB       ALA  28  -4.580   6.291  -4.902
  205    H    CYS  29           H        CYS  29  -2.025   8.788  -4.302
  206    HA   CYS  29           HA       CYS  29  -2.093   8.319  -1.326
  207   1HB   CYS  29          1HB       CYS  29   0.161   7.662  -3.199
  208   2HB   CYS  29          2HB       CYS  29   0.066   7.336  -1.458
  209    H    HIS  30           H        HIS  30  -0.542  10.058  -4.069
  210    HA   HIS  30           HA       HIS  30   0.806  11.897  -2.139
  211   1HB   HIS  30          1HB       HIS  30   1.218  11.363  -5.095
  212   2HB   HIS  30          2HB       HIS  30   2.103  12.548  -4.148
  213    HD1  HIS  30           HND      HIS  30   3.412  11.334  -1.922
  214    HD2  HIS  30           HD       HIS  30   2.463   9.139  -5.318
  215    HE1  HIS  30           HE       HIS  30   5.076   9.289  -2.018
  216    H    GLU  31           H        GLU  31  -1.349  12.781  -1.726
  217    HA   GLU  31           HA       GLU  31  -3.005  14.025  -3.605
  218   1HB   GLU  31          1HB       GLU  31  -2.547  15.277  -0.840
  219   2HB   GLU  31          2HB       GLU  31  -3.996  15.232  -1.846
  220   1HG   GLU  31          1HG       GLU  31  -3.900  12.715  -1.578
  221   2HG   GLU  31          2HG       GLU  31  -2.714  12.952  -0.283
  222    H    GLY  32           H        GLY  32  -0.632  15.547  -1.585
  223   1HA   GLY  32          1HA       GLY  32  -0.676  18.102  -3.032
  224   2HA   GLY  32          2HA       GLY  32   0.284  17.722  -1.598
  225    H    THR  33           H        THR  33   2.143  16.088  -2.024
  226    HA   THR  33           HA       THR  33   3.341  16.176  -4.668
  227    HB   THR  33           HB       THR  33   4.644  17.663  -2.335
  228    HG1  THR  33           HG1      THR  33   2.987  18.512  -4.375
  229   1HG2  THR  33          1HG2      THR  33   6.311  16.665  -3.885
  230   2HG2  THR  33          2HG2      THR  33   5.497  17.464  -5.256
  231   3HG2  THR  33          3HG2      THR  33   6.278  18.431  -3.996
  232    HA   PRO  34           HA       PRO  34   4.953  12.527  -2.528
  233   1HB   PRO  34          1HB       PRO  34   6.772  11.621  -4.312
  234   2HB   PRO  34          2HB       PRO  34   5.016  11.436  -4.555
  235   1HG   PRO  34          1HG       PRO  34   6.821  13.508  -5.732
  236   2HG   PRO  34          2HG       PRO  34   5.499  12.558  -6.499
  237   1HD   PRO  34          1HD       PRO  34   5.174  15.142  -5.650
  238   2HD   PRO  34          2HD       PRO  34   3.847  13.946  -5.599
  239    H    ALA  35           H        ALA  35   6.290  12.605  -0.845
  240    HA   ALA  35           HA       ALA  35   9.122  13.261  -1.211
  241   1HB   ALA  35          1HB       ALA  35   9.115  14.923   0.618
  242   2HB   ALA  35          2HB       ALA  35   8.102  15.462  -0.739
  243   3HB   ALA  35          3HB       ALA  35   7.342  14.805   0.727
  244    H    LYS  36           H        LYS  36   8.004  10.880  -0.940
  245    HA   LYS  36           HA       LYS  36   7.802   8.968   0.155
  246   1HB   LYS  36          1HB       LYS  36   9.578  10.308   2.224
  247   2HB   LYS  36          2HB       LYS  36   8.746   8.806   2.579
  248   1HG   LYS  36          1HG       LYS  36   9.729   7.805   0.471
  249   2HG   LYS  36          2HG       LYS  36  10.647   9.296   0.244
  250   1HD   LYS  36          1HD       LYS  36  11.968   7.512   1.187
  251   2HD   LYS  36          2HD       LYS  36  11.882   8.879   2.313
  252   1HE   LYS  36          1HE       LYS  36  10.836   7.638   3.932
  253   2HE   LYS  36          2HE       LYS  36   9.725   6.888   2.784
  254   1HZ   LYS  36          1HZ       LYS  36  11.221   5.333   3.851
  255   2HZ   LYS  36          2HZ       LYS  36  11.048   5.256   2.271
  256   3HZ   LYS  36          3HZ       LYS  36  12.464   5.895   2.896
  257    H    ILE  37           H        ILE  37   6.260   7.917   1.225
  258    HA   ILE  37           HA       ILE  37   4.609   9.471   3.194
  259    HB   ILE  37           HB       ILE  37   3.564   6.983   1.929
  260   1HG1  ILE  37          1HG1      ILE  37   3.691   9.601   0.457
  261   2HG1  ILE  37          2HG1      ILE  37   4.388   8.035   0.001
  262   1HG2  ILE  37          1HG2      ILE  37   2.219   9.622   2.644
  263   2HG2  ILE  37          2HG2      ILE  37   1.414   8.079   2.289
  264   3HG2  ILE  37          3HG2      ILE  37   2.362   8.252   3.760
  265   1HD1  ILE  37          1HD1      ILE  37   2.023   7.088  -0.010
  266   2HD1  ILE  37          2HD1      ILE  37   1.438   8.765   0.113
  267   3HD1  ILE  37          3HD1      ILE  37   2.377   8.255  -1.293
  268    H    ALA  38           H        ALA  38   6.498   6.644   2.635
  269    HA   ALA  38           HA       ALA  38   7.501   5.176   3.984
  270   1HB   ALA  38          1HB       ALA  38   6.187   6.463   6.393
  271   2HB   ALA  38          2HB       ALA  38   7.603   5.402   6.338
  272   3HB   ALA  38          3HB       ALA  38   7.682   7.019   5.602
  273    H    ILE  39           H        ILE  39   4.107   5.731   4.963
  274    HA   ILE  39           HA       ILE  39   2.495   4.295   5.707
  275    HB   ILE  39           HB       ILE  39   3.431   2.915   3.180
  276   1HG1  ILE  39          1HG1      ILE  39   2.852   5.222   2.858
  277   2HG1  ILE  39          2HG1      ILE  39   1.587   4.187   2.250
  278   1HG2  ILE  39          1HG2      ILE  39   0.939   2.477   4.852
  279   2HG2  ILE  39          2HG2      ILE  39   0.965   2.178   3.102
  280   3HG2  ILE  39          3HG2      ILE  39   2.050   1.275   4.148
  281   1HD1  ILE  39          1HD1      ILE  39   0.271   4.652   4.384
  282   2HD1  ILE  39          2HD1      ILE  39   1.455   5.942   4.705
  283   3HD1  ILE  39          3HD1      ILE  39   0.463   5.993   3.246
  284    H    ASP  40           H        ASP  40   3.434   3.963   7.549
  285    HA   ASP  40           HA       ASP  40   5.038   1.554   8.040
  286   1HB   ASP  40          1HB       ASP  40   5.044   2.282  10.401
  287   2HB   ASP  40          2HB       ASP  40   5.733   3.439   9.298
  288    H    LYS  41           H        LYS  41   4.357   0.086   9.621
  289    HA   LYS  41           HA       LYS  41   2.069  -1.305   9.340
  290   1HB   LYS  41          1HB       LYS  41   2.328  -1.989  11.788
  291   2HB   LYS  41          2HB       LYS  41   3.578  -2.378  10.650
  292   1HG   LYS  41          1HG       LYS  41   4.918  -0.403  11.451
  293   2HG   LYS  41          2HG       LYS  41   3.712  -0.138  12.716
  294   1HD   LYS  41          1HD       LYS  41   5.330  -2.686  12.232
  295   2HD   LYS  41          2HD       LYS  41   5.788  -1.395  13.324
  296   1HE   LYS  41          1HE       LYS  41   3.763  -1.774  14.699
  297   2HE   LYS  41          2HE       LYS  41   3.241  -3.064  13.606
  298   1HZ   LYS  41          1HZ       LYS  41   5.232  -4.307  14.213
  299   2HZ   LYS  41          2HZ       LYS  41   5.719  -3.122  15.208
  300   3HZ   LYS  41          3HZ       LYS  41   4.341  -3.960  15.533
  301    H    LYS  42           H        LYS  42   2.413   1.283  11.685
  302    HA   LYS  42           HA       LYS  42  -0.118   1.290  12.900
  303   1HB   LYS  42          1HB       LYS  42   1.841   3.501  12.221
  304   2HB   LYS  42          2HB       LYS  42   0.365   3.872  13.086
  305   1HG   LYS  42          1HG       LYS  42   2.198   1.699  14.143
  306   2HG   LYS  42          2HG       LYS  42   2.590   3.408  14.388
  307   1HD   LYS  42          1HD       LYS  42   0.399   3.828  15.407
  308   2HD   LYS  42          2HD       LYS  42  -0.075   2.133  15.167
  309   1HE   LYS  42          1HE       LYS  42   1.711   1.386  16.695
  310   2HE   LYS  42          2HE       LYS  42   2.313   3.046  16.854
  311   1HZ   LYS  42          1HZ       LYS  42  -0.340   2.120  17.744
  312   2HZ   LYS  42          2HZ       LYS  42   0.955   2.409  18.715
  313   3HZ   LYS  42          3HZ       LYS  42   0.253   3.650  17.901
  314    H    SER  43           H        SER  43   0.821   3.085   9.897
  315    HA   SER  43           HA       SER  43  -1.955   3.997   9.526
  316   1HB   SER  43          1HB       SER  43   0.607   4.251   7.918
  317   2HB   SER  43          2HB       SER  43  -0.973   4.779   7.300
  318    HG   SER  43           HG       SER  43  -1.157   6.141   9.118
  319    H    ALA  44           H        ALA  44   0.325   1.880   7.865
  320    HA   ALA  44           HA       ALA  44  -1.160   1.060   5.759
  321   1HB   ALA  44          1HB       ALA  44   1.347   0.712   6.396
  322   2HB   ALA  44          2HB       ALA  44   0.795  -0.846   7.037
  323   3HB   ALA  44          3HB       ALA  44   0.511  -0.398   5.331
  324    H    HIS  45           H        HIS  45  -0.878  -0.806   8.832
  325    HA   HIS  45           HA       HIS  45  -2.698  -2.859   7.815
  326   1HB   HIS  45          1HB       HIS  45  -0.910  -2.534  10.136
  327   2HB   HIS  45          2HB       HIS  45  -2.474  -3.175  10.604
  328    HD1  HIS  45           HND      HIS  45  -2.930  -5.681  10.027
  329    HD2  HIS  45           HD       HIS  45   0.495  -4.002   8.291
  330    HE1  HIS  45           HE       HIS  45  -1.636  -7.611   8.945
  331    H    LYS  46           H        LYS  46  -3.130   0.222   9.218
  332    HA   LYS  46           HA       LYS  46  -5.704  -0.424  10.564
  333   1HB   LYS  46          1HB       LYS  46  -4.262   1.101  11.686
  334   2HB   LYS  46          2HB       LYS  46  -4.076   2.101  10.254
  335   1HG   LYS  46          1HG       LYS  46  -6.910   1.745  10.967
  336   2HG   LYS  46          2HG       LYS  46  -5.992   2.387  12.328
  337   1HD   LYS  46          1HD       LYS  46  -5.754   3.479   9.511
  338   2HD   LYS  46          2HD       LYS  46  -7.014   4.063  10.585
  339   1HE   LYS  46          1HE       LYS  46  -4.003   4.174  11.216
  340   2HE   LYS  46          2HE       LYS  46  -4.879   5.470  10.397
  341   1HZ   LYS  46          1HZ       LYS  46  -5.481   4.482  13.099
  342   2HZ   LYS  46          2HZ       LYS  46  -4.700   5.881  12.727
  343   3HZ   LYS  46          3HZ       LYS  46  -6.280   5.692  12.315
  344    H    ASP  47           H        ASP  47  -4.638   1.964   8.146
  345    HA   ASP  47           HA       ASP  47  -6.523   1.189   6.132
  346   1HB   ASP  47          1HB       ASP  47  -7.389   3.334   8.101
  347   2HB   ASP  47          2HB       ASP  47  -7.771   3.529   6.410
  348    H    ALA  48           H        ALA  48  -4.126   1.281   5.569
  349    HA   ALA  48           HA       ALA  48  -4.206   3.675   3.801
  350   1HB   ALA  48          1HB       ALA  48  -1.961   3.954   3.571
  351   2HB   ALA  48          2HB       ALA  48  -2.057   3.605   5.308
  352   3HB   ALA  48          3HB       ALA  48  -1.521   2.363   4.157
  353    H    CYS  49           H        CYS  49  -2.456   0.510   3.816
  354    HA   CYS  49           HA       CYS  49  -3.148   0.002   1.088
  355   1HB   CYS  49          1HB       CYS  49  -2.477  -2.071   3.163
  356   2HB   CYS  49          2HB       CYS  49  -2.217  -2.180   1.432
  357    H    LYS  50           H        LYS  50  -4.365  -1.415   4.129
  358    HA   LYS  50           HA       LYS  50  -6.413  -2.915   2.949
  359   1HB   LYS  50          1HB       LYS  50  -6.172  -1.819   5.779
  360   2HB   LYS  50          2HB       LYS  50  -7.450  -2.911   5.219
  361   1HG   LYS  50          1HG       LYS  50  -5.588  -4.446   4.351
  362   2HG   LYS  50          2HG       LYS  50  -4.464  -3.488   5.337
  363   1HD   LYS  50          1HD       LYS  50  -5.748  -4.063   7.364
  364   2HD   LYS  50          2HD       LYS  50  -6.985  -4.866   6.373
  365   1HE   LYS  50          1HE       LYS  50  -5.160  -6.448   5.523
  366   2HE   LYS  50          2HE       LYS  50  -4.087  -5.758   6.754
  367   1HZ   LYS  50          1HZ       LYS  50  -5.724  -6.506   8.401
  368   2HZ   LYS  50          2HZ       LYS  50  -6.635  -7.180   7.203
  369   3HZ   LYS  50          3HZ       LYS  50  -5.133  -7.759   7.508
  370    H    THR  51           H        THR  51  -6.449   0.606   3.629
  371    HA   THR  51           HA       THR  51  -9.285   0.744   3.795
  372    HB   THR  51           HB       THR  51  -7.405   2.555   4.310
  373    HG1  THR  51           HG1      THR  51  -9.486   2.567   4.996
  374   1HG2  THR  51          1HG2      THR  51  -8.593   3.657   1.738
  375   2HG2  THR  51          2HG2      THR  51  -7.572   4.502   2.907
  376   3HG2  THR  51          3HG2      THR  51  -6.888   3.186   1.948
  377    H    CYS  52           H        CYS  52  -7.115   1.220   1.010
  378    HA   CYS  52           HA       CYS  52  -9.243   1.370  -0.966
  379   1HB   CYS  52          1HB       CYS  52  -6.290   0.769  -0.941
  380   2HB   CYS  52          2HB       CYS  52  -7.255   0.450  -2.381
  381    H    HIS  53           H        HIS  53  -7.068  -1.228   0.259
  382    HA   HIS  53           HA       HIS  53  -7.971  -3.079  -1.642
  383   1HB   HIS  53          1HB       HIS  53  -6.406  -3.298   0.894
  384   2HB   HIS  53          2HB       HIS  53  -6.996  -4.743   0.084
  385    HD1  HIS  53           HND      HIS  53  -5.034  -5.705  -1.082
  386    HD2  HIS  53           HD       HIS  53  -5.201  -1.526  -1.502
  387    HE1  HIS  53           HE       HIS  53  -3.270  -5.045  -2.792
  388    H    LYS  54           H        LYS  54  -9.433  -2.275   1.471
  389    HA   LYS  54           HA       LYS  54 -11.413  -4.304   1.721
  390   1HB   LYS  54          1HB       LYS  54 -11.403  -1.353   2.282
  391   2HB   LYS  54          2HB       LYS  54 -12.825  -2.351   2.567
  392   1HG   LYS  54          1HG       LYS  54 -11.800  -3.645   4.253
  393   2HG   LYS  54          2HG       LYS  54 -10.172  -3.116   3.810
  394   1HD   LYS  54          1HD       LYS  54 -10.831  -0.765   4.380
  395   2HD   LYS  54          2HD       LYS  54 -12.391  -1.363   4.961
  396   1HE   LYS  54          1HE       LYS  54 -11.269  -2.606   6.773
  397   2HE   LYS  54          2HE       LYS  54  -9.677  -2.236   6.081
  398   1HZ   LYS  54          1HZ       LYS  54 -10.080  -0.731   7.897
  399   2HZ   LYS  54          2HZ       LYS  54 -10.075   0.097   6.526
  400   3HZ   LYS  54          3HZ       LYS  54 -11.497  -0.218   7.245
  401    H    SER  55           H        SER  55 -11.383  -1.260  -0.172
  402    HA   SER  55           HA       SER  55 -14.012  -1.555  -1.275
  403   1HB   SER  55          1HB       SER  55 -12.607   0.579  -1.052
  404   2HB   SER  55          2HB       SER  55 -11.697   0.028  -2.473
  405    HG   SER  55           HG       SER  55 -13.435   1.390  -3.044
  406    H    ASN  56           H        ASN  56 -10.737  -2.364  -2.396
  407    HA   ASN  56           HA       ASN  56 -11.506  -3.239  -5.018
  408   1HB   ASN  56          1HB       ASN  56  -9.057  -3.922  -3.348
  409   2HB   ASN  56          2HB       ASN  56  -9.323  -4.501  -4.987
  410   1HD2  ASN  56          1HD2      ASN  56  -9.168  -1.355  -3.155
  411   2HD2  ASN  56          2HD2      ASN  56  -8.481  -0.501  -4.522
  412    H    ASN  57           H        ASN  57 -10.907  -5.162  -2.026
  413    HA   ASN  57           HA       ASN  57 -12.531  -7.395  -3.141
  414   1HB   ASN  57          1HB       ASN  57  -9.527  -7.526  -2.673
  415   2HB   ASN  57          2HB       ASN  57 -10.552  -8.961  -2.575
  416   1HD2  ASN  57          1HD2      ASN  57  -8.537  -7.421  -4.706
  417   2HD2  ASN  57          2HD2      ASN  57  -9.292  -7.979  -6.184
  418    H    GLY  58           H        GLY  58 -10.585  -6.166  -0.395
  419   1HA   GLY  58          1HA       GLY  58 -11.057  -6.439   1.891
  420   2HA   GLY  58          2HA       GLY  58 -12.386  -7.520   1.505
  421    HA   PRO  59           HA       PRO  59  -8.431 -10.305   1.461
  422   1HB   PRO  59          1HB       PRO  59  -5.981  -9.231   1.981
  423   2HB   PRO  59          2HB       PRO  59  -6.703  -9.273   0.348
  424   1HG   PRO  59          1HG       PRO  59  -6.739  -6.959   2.308
  425   2HG   PRO  59          2HG       PRO  59  -6.270  -6.938   0.582
  426   1HD   PRO  59          1HD       PRO  59  -8.777  -6.226   1.410
  427   2HD   PRO  59          2HD       PRO  59  -8.531  -7.134  -0.114
  428    H    THR  60           H        THR  60  -9.379 -11.096   3.314
  429    HA   THR  60           HA       THR  60  -8.875  -9.891   5.965
  430    HB   THR  60           HB       THR  60 -10.389 -11.826   6.634
  431    HG1  THR  60           HG1      THR  60 -11.189 -12.023   3.971
  432   1HG2  THR  60          1HG2      THR  60 -12.443 -10.769   5.763
  433   2HG2  THR  60          2HG2      THR  60 -11.280  -9.548   6.309
  434   3HG2  THR  60          3HG2      THR  60 -11.493  -9.855   4.576
  435    H    LYS  61           H        LYS  61  -8.717 -13.111   4.510
  436    HA   LYS  61           HA       LYS  61  -6.946 -14.211   6.486
  437   1HB   LYS  61          1HB       LYS  61  -7.863 -15.232   3.775
  438   2HB   LYS  61          2HB       LYS  61  -6.999 -16.218   4.950
  439   1HG   LYS  61          1HG       LYS  61  -9.678 -14.901   5.553
  440   2HG   LYS  61          2HG       LYS  61  -9.488 -16.518   4.857
  441   1HD   LYS  61          1HD       LYS  61  -8.055 -17.190   6.796
  442   2HD   LYS  61          2HD       LYS  61  -8.404 -15.651   7.584
  443   1HE   LYS  61          1HE       LYS  61 -10.453 -17.780   6.762
  444   2HE   LYS  61          2HE       LYS  61  -9.823 -17.542   8.395
  445   1HZ   LYS  61          1HZ       LYS  61 -11.402 -15.566   6.885
  446   2HZ   LYS  61          2HZ       LYS  61 -11.948 -16.504   8.118
  447   3HZ   LYS  61          3HZ       LYS  61 -10.808 -15.357   8.408
  448    H    CYS  62           H        CYS  62  -5.524 -12.069   5.697
  449    HA   CYS  62           HA       CYS  62  -3.413 -11.492   5.311
  450   1HB   CYS  62          1HB       CYS  62  -3.424 -13.695   6.727
  451   2HB   CYS  62          2HB       CYS  62  -2.609 -14.364   5.319
  452    H    GLY  63           H        GLY  63  -1.457 -13.474   3.908
  453   1HA   GLY  63          1HA       GLY  63  -0.621 -13.813   1.805
  454   2HA   GLY  63          2HA       GLY  63  -2.199 -14.618   1.632
  455    H    GLY  64           H        GLY  64  -0.719 -11.406   1.521
  456   1HA   GLY  64          1HA       GLY  64  -2.194 -10.683  -0.981
  457   2HA   GLY  64          2HA       GLY  64  -2.386  -9.719   0.506
  458    H    CYS  65           H        CYS  65  -0.244  -9.255   1.595
  459    HA   CYS  65           HA       CYS  65   1.270  -7.694  -0.407
  460   1HB   CYS  65          1HB       CYS  65   0.867  -7.197   2.516
  461   2HB   CYS  65          2HB       CYS  65   1.260  -6.012   1.262
  462    H    HIS  66           H        HIS  66   1.751  -9.418   2.705
  463    HA   HIS  66           HA       HIS  66   4.670  -9.445   2.497
  464   1HB   HIS  66          1HB       HIS  66   2.802 -11.242   4.110
  465   2HB   HIS  66          2HB       HIS  66   4.537 -11.128   4.295
  466    HD1  HIS  66           HND      HIS  66   5.401  -8.544   5.174
  467    HD2  HIS  66           HD       HIS  66   1.352  -9.637   5.542
  468    HE1  HIS  66           HE       HIS  66   4.276  -6.899   6.814
  469    H    ILE  67           H        ILE  67   5.479 -10.562   0.714
  470    HA   ILE  67           HA       ILE  67   4.029 -12.810  -0.440
  471    HB   ILE  67           HB       ILE  67   6.918 -11.964  -0.827
  472   1HG1  ILE  67          1HG1      ILE  67   5.484 -10.101  -1.374
  473   2HG1  ILE  67          2HG1      ILE  67   6.118 -10.820  -2.852
  474   1HG2  ILE  67          1HG2      ILE  67   6.569 -14.238  -1.607
  475   2HG2  ILE  67          2HG2      ILE  67   5.090 -13.776  -2.464
  476   3HG2  ILE  67          3HG2      ILE  67   6.667 -13.163  -3.007
  477   1HD1  ILE  67          1HD1      ILE  67   3.796 -10.191  -3.155
  478   2HD1  ILE  67          2HD1      ILE  67   3.893 -11.957  -3.192
  479   3HD1  ILE  67          3HD1      ILE  67   3.287 -11.117  -1.741
  480    H    LYS  68           H        LYS  68   3.575 -14.416   1.087
  481    HA   LYS  68           HA       LYS  68   5.740 -16.240   1.391
  482   1HB   LYS  68          1HB       LYS  68   5.518 -14.790   3.657
  483   2HB   LYS  68          2HB       LYS  68   4.045 -15.724   3.850
  484   1HG   LYS  68          1HG       LYS  68   5.611 -17.046   5.002
  485   2HG   LYS  68          2HG       LYS  68   5.458 -17.834   3.455
  486   1HD   LYS  68          1HD       LYS  68   7.817 -17.725   4.125
  487   2HD   LYS  68          2HD       LYS  68   7.542 -16.854   2.623
  488   1HE   LYS  68          1HE       LYS  68   9.086 -15.660   4.214
  489   2HE   LYS  68          2HE       LYS  68   7.701 -14.706   3.698
  490   1HZ   LYS  68          1HZ       LYS  68   6.608 -15.413   5.778
  491   2HZ   LYS  68          2HZ       LYS  68   8.040 -16.046   6.308
  492   3HZ   LYS  68          3HZ       LYS  68   7.835 -14.426   6.008
  493    HHA  HEC  69           HCM      HEC  69   8.410   7.470  -1.571
  494    HHB  HEC  69           HDM      HEC  69   6.979  10.235  -7.067
  495    HHC  HEC  69           HAM      HEC  69   1.511   6.920  -7.336
  496    HHD  HEC  69           HBM      HEC  69   2.638   4.833  -1.393
  497   1HMA  HEC  69          HM81      HEC  69  10.330  10.491  -5.388
  498   2HMA  HEC  69          HM82      HEC  69   9.292  10.287  -6.796
  499   3HMA  HEC  69          HM83      HEC  69   8.935  11.569  -5.607
  500   1HAA  HEC  69          HP71      HEC  69  10.235  10.426  -3.089
  501   2HAA  HEC  69          HP72      HEC  69   9.650   9.350  -1.832
  502   1HBA  HEC  69          HP73      HEC  69  11.377   8.480  -4.179
  503   2HBA  HEC  69          HP74      HEC  69  11.961   8.825  -2.543
  504   1HMB  HEC  69          HM11      HEC  69   4.703  11.123  -9.136
  505   2HMB  HEC  69          HM12      HEC  69   6.316  10.386  -9.099
  506   3HMB  HEC  69          HM13      HEC  69   5.126   9.767 -10.217
  507    HAB  HEC  69          HT2A      HEC  69   1.531   8.281  -8.963
  508   1HBB  HEC  69          HT21      HEC  69   3.162   8.664 -10.930
  509   2HBB  HEC  69          HT22      HEC  69   1.567   9.405 -10.986
  510   3HBB  HEC  69          HT23      HEC  69   2.953  10.398 -10.558
  511   1HMC  HEC  69          HM31      HEC  69  -0.692   6.635  -5.906
  512   2HMC  HEC  69          HM32      HEC  69  -0.066   5.220  -6.780
  513   3HMC  HEC  69          HM33      HEC  69  -1.013   5.009  -5.309
  514    HAC  HEC  69          HT4A      HEC  69   0.568   4.731  -1.735
  515   1HBC  HEC  69          HT41      HEC  69  -0.807   3.200  -3.945
  516   2HBC  HEC  69          HT42      HEC  69   0.714   2.670  -3.204
  517   3HBC  HEC  69          HT43      HEC  69  -0.742   2.847  -2.218
  518   1HMD  HEC  69          HM51      HEC  69   4.927   5.009   1.516
  519   2HMD  HEC  69          HM52      HEC  69   3.417   4.921   0.632
  520   3HMD  HEC  69          HM53      HEC  69   4.627   3.647   0.418
  521   1HAD  HEC  69          HP61      HEC  69   8.444   5.568  -0.409
  522   2HAD  HEC  69          HP62      HEC  69   7.776   6.444   0.961
  523   1HBD  HEC  69          HP63      HEC  69   6.951   4.418   1.898
  524   2HBD  HEC  69          HP64      HEC  69   6.970   3.613   0.327
  525    HHA  HEC  70           HCM      HEC  70  -2.984  -4.946  -6.965
  526    HHB  HEC  70           HDM      HEC  70   0.438  -4.604  -1.578
  527    HHC  HEC  70           HAM      HEC  70  -1.982   1.212  -0.517
  528    HHD  HEC  70           HBM      HEC  70  -6.060   0.375  -5.288
  529   1HMA  HEC  70          HM81      HEC  70   0.351  -7.606  -3.951
  530   2HMA  HEC  70          HM82      HEC  70   1.499  -6.358  -3.422
  531   3HMA  HEC  70          HM83      HEC  70   0.167  -6.880  -2.360
  532   1HAA  HEC  70          HP71      HEC  70  -1.287  -6.407  -7.140
  533   2HAA  HEC  70          HP72      HEC  70  -0.109  -7.234  -6.152
  534   1HBA  HEC  70          HP73      HEC  70  -1.939  -8.243  -4.805
  535   2HBA  HEC  70          HP74      HEC  70  -3.126  -7.434  -5.839
  536   1HMB  HEC  70          HM11      HEC  70   1.767  -3.541  -0.098
  537   2HMB  HEC  70          HM12      HEC  70   1.589  -2.312   1.157
  538   3HMB  HEC  70          HM13      HEC  70   0.486  -3.701   1.126
  539    HAB  HEC  70          HT2A      HEC  70  -0.629   0.851   1.000
  540   1HBB  HEC  70          HT21      HEC  70   2.005  -0.211   0.315
  541   2HBB  HEC  70          HT22      HEC  70   1.515   1.402   0.806
  542   3HBB  HEC  70          HT23      HEC  70   1.859   0.177   2.032
  543   1HMC  HEC  70          HM31      HEC  70  -3.924   2.637  -0.182
  544   2HMC  HEC  70          HM32      HEC  70  -2.877   3.423  -1.390
  545   3HMC  HEC  70          HM33      HEC  70  -4.616   3.700  -1.403
  546    HAC  HEC  70          HT4A      HEC  70  -6.767   1.993  -4.151
  547   1HBC  HEC  70          HT41      HEC  70  -4.981   4.354  -3.513
  548   2HBC  HEC  70          HT42      HEC  70  -5.118   3.477  -5.052
  549   3HBC  HEC  70          HT43      HEC  70  -6.517   4.373  -4.409
  550   1HMD  HEC  70          HM51      HEC  70  -6.667  -1.428  -8.481
  551   2HMD  HEC  70          HM52      HEC  70  -7.214  -0.600  -7.020
  552   3HMD  HEC  70          HM53      HEC  70  -5.808   0.024  -7.897
  553   1HAD  HEC  70          HP61      HEC  70  -5.006  -2.857  -9.226
  554   2HAD  HEC  70          HP62      HEC  70  -4.180  -4.294  -8.674
  555   1HBD  HEC  70          HP63      HEC  70  -6.226  -5.273  -7.861
  556   2HBD  HEC  70          HP64      HEC  70  -7.119  -3.766  -8.108
  557    HHA  HEC  71           HCM      HEC  71   4.310  -4.303   8.756
  558    HHB  HEC  71           HDM      HEC  71   1.805  -9.559  11.184
  559    HHC  HEC  71           HAM      HEC  71  -1.795 -10.170   5.967
  560    HHD  HEC  71           HBM      HEC  71   0.327  -4.643   3.782
  561   1HMA  HEC  71          HM81      HEC  71   3.938  -7.098  13.137
  562   2HMA  HEC  71          HM82      HEC  71   2.229  -7.512  13.029
  563   3HMA  HEC  71          HM83      HEC  71   3.460  -8.729  12.663
  564   1HAA  HEC  71          HP71      HEC  71   5.017  -4.389  10.665
  565   2HAA  HEC  71          HP72      HEC  71   4.418  -4.970  12.182
  566   1HBA  HEC  71          HP73      HEC  71   6.407  -6.732  10.720
  567   2HBA  HEC  71          HP74      HEC  71   6.982  -5.166  11.280
  568   1HMB  HEC  71          HM11      HEC  71   1.349 -11.721  10.886
  569   2HMB  HEC  71          HM12      HEC  71  -0.392 -11.760  11.237
  570   3HMB  HEC  71          HM13      HEC  71   0.326 -12.812   9.984
  571    HAB  HEC  71          HT2A      HEC  71  -2.678 -11.290   7.691
  572   1HBB  HEC  71          HT21      HEC  71  -3.224 -13.219   8.831
  573   2HBB  HEC  71          HT22      HEC  71  -1.550 -13.626   9.205
  574   3HBB  HEC  71          HT23      HEC  71  -2.361 -12.247  10.011
  575   1HMC  HEC  71          HM31      HEC  71  -2.033 -10.166   3.804
  576   2HMC  HEC  71          HM32      HEC  71  -3.449  -9.244   4.256
  577   3HMC  HEC  71          HM33      HEC  71  -2.670  -8.959   2.676
  578    HAC  HEC  71          HT4A      HEC  71  -1.487  -5.043   2.829
  579   1HBC  HEC  71          HT41      HEC  71  -3.716  -5.689   3.561
  580   2HBC  HEC  71          HT42      HEC  71  -3.581  -5.342   1.829
  581   3HBC  HEC  71          HT43      HEC  71  -3.713  -7.019   2.380
  582   1HMD  HEC  71          HM51      HEC  71   1.865  -2.900   3.382
  583   2HMD  HEC  71          HM52      HEC  71   0.724  -2.315   4.560
  584   3HMD  HEC  71          HM53      HEC  71   2.372  -1.616   4.508
  585   1HAD  HEC  71          HP61      HEC  71   4.471  -2.001   5.735
  586   2HAD  HEC  71          HP62      HEC  71   3.270  -1.334   6.825
  587   1HBD  HEC  71          HP63      HEC  71   4.394  -2.294   8.707
  588   2HBD  HEC  71          HP64      HEC  71   5.591  -3.082   7.628
  Start of MODEL   23
    1   1H    ALA   1          1H        ALA   1   9.243   3.337  -7.167
    2   2H    ALA   1          2H        ALA   1   9.647   4.933  -7.281
    3   3H    ALA   1          3H        ALA   1   8.159   4.409  -7.777
    4    HA   ALA   1           HA       ALA   1   9.558   4.853  -9.648
    5   1HB   ALA   1          1HB       ALA   1  11.442   3.312 -10.112
    6   2HB   ALA   1          2HB       ALA   1  11.726   4.313  -8.680
    7   3HB   ALA   1          3HB       ALA   1  11.271   2.608  -8.486
    8    H    ASP   2           H        ASP   2  10.102   1.368  -9.726
    9    HA   ASP   2           HA       ASP   2   7.610   0.952 -11.105
   10   1HB   ASP   2          1HB       ASP   2   8.538  -1.215 -11.596
   11   2HB   ASP   2          2HB       ASP   2   9.495   0.139 -12.198
   12    H    VAL   3           H        VAL   3   9.474  -0.620  -8.484
   13    HA   VAL   3           HA       VAL   3   7.053  -1.083  -6.842
   14    HB   VAL   3           HB       VAL   3   7.123  -3.033  -8.299
   15   1HG1  VAL   3          1HG1      VAL   3  10.024  -3.422  -7.439
   16   2HG1  VAL   3          2HG1      VAL   3   9.058  -4.568  -8.387
   17   3HG1  VAL   3          3HG1      VAL   3   9.454  -2.991  -9.065
   18   1HG2  VAL   3          1HG2      VAL   3   8.293  -3.877  -5.612
   19   2HG2  VAL   3          2HG2      VAL   3   6.586  -3.499  -5.911
   20   3HG2  VAL   3          3HG2      VAL   3   7.339  -4.863  -6.728
   21    H    VAL   4           H        VAL   4   7.605  -1.570  -4.583
   22    HA   VAL   4           HA       VAL   4  10.486  -1.390  -3.869
   23    HB   VAL   4           HB       VAL   4   8.300   0.415  -2.824
   24   1HG1  VAL   4          1HG1      VAL   4   9.609  -0.356  -0.844
   25   2HG1  VAL   4          2HG1      VAL   4  11.119  -0.015  -1.703
   26   3HG1  VAL   4          3HG1      VAL   4  10.034   1.303  -1.230
   27   1HG2  VAL   4          1HG2      VAL   4   9.445   1.274  -4.813
   28   2HG2  VAL   4          2HG2      VAL   4   9.914   2.203  -3.379
   29   3HG2  VAL   4          3HG2      VAL   4  11.021   0.980  -4.039
   30    H    THR   5           H        THR   5  10.838  -2.132  -1.653
   31    HA   THR   5           HA       THR   5   8.485  -3.152  -0.385
   32    HB   THR   5           HB       THR   5   9.489  -5.241  -1.313
   33    HG1  THR   5           HG1      THR   5   8.564  -4.902   0.799
   34   1HG2  THR   5          1HG2      THR   5  11.653  -6.079  -0.521
   35   2HG2  THR   5          2HG2      THR   5  11.897  -4.558  -1.399
   36   3HG2  THR   5          3HG2      THR   5  11.955  -4.585   0.377
   37    H    TYR   6           H        TYR   6   8.420  -2.977   1.723
   38    HA   TYR   6           HA       TYR   6  10.134  -1.102   3.070
   39   1HB   TYR   6          1HB       TYR   6   8.025  -3.042   4.091
   40   2HB   TYR   6          2HB       TYR   6   8.762  -1.779   5.048
   41    HD1  TYR   6           HD1      TYR   6   5.725  -2.406   3.976
   42    HD2  TYR   6           HD2      TYR   6   8.735   0.583   3.185
   43    HE1  TYR   6           HE1      TYR   6   4.055  -1.011   2.797
   44    HE2  TYR   6           HE2      TYR   6   7.099   1.879   1.952
   45    HH   TYR   6           HH       TYR   6   5.018   1.209   0.589
   46    H    GLU   7           H        GLU   7   9.816  -4.605   3.063
   47    HA   GLU   7           HA       GLU   7  10.807  -6.293   4.061
   48   1HB   GLU   7          1HB       GLU   7  12.911  -5.626   3.204
   49   2HB   GLU   7          2HB       GLU   7  13.173  -4.539   4.576
   50   1HG   GLU   7          1HG       GLU   7  13.858  -6.205   5.947
   51   2HG   GLU   7          2HG       GLU   7  12.584  -7.311   5.435
   52    H    ASN   8           H        ASN   8  10.528  -7.288   5.973
   53    HA   ASN   8           HA       ASN   8  10.521  -6.213   8.572
   54   1HB   ASN   8          1HB       ASN   8   7.965  -6.300   8.858
   55   2HB   ASN   8          2HB       ASN   8   8.644  -4.863   8.108
   56   1HD2  ASN   8          1HD2      ASN   8   7.617  -4.197   6.318
   57   2HD2  ASN   8          2HD2      ASN   8   6.765  -5.223   5.163
   58    H    LYS   9           H        LYS   9   9.234  -7.888  10.032
   59    HA   LYS   9           HA       LYS   9  10.873 -10.156   9.321
   60   1HB   LYS   9          1HB       LYS   9  10.517  -8.886  11.611
   61   2HB   LYS   9          2HB       LYS   9   9.115  -9.933  11.775
   62   1HG   LYS   9          1HG       LYS   9  10.789 -11.115  12.921
   63   2HG   LYS   9          2HG       LYS   9  10.768 -11.904  11.350
   64   1HD   LYS   9          1HD       LYS   9  13.040 -11.615  11.744
   65   2HD   LYS   9          2HD       LYS   9  12.664 -10.240  10.693
   66   1HE   LYS   9          1HE       LYS   9  12.463  -8.783  12.758
   67   2HE   LYS   9          2HE       LYS   9  12.871 -10.186  13.756
   68   1HZ   LYS   9          1HZ       LYS   9  14.620  -8.945  11.737
   69   2HZ   LYS   9          2HZ       LYS   9  14.763  -8.804  13.367
   70   3HZ   LYS   9          3HZ       LYS   9  15.006 -10.262  12.648
   71    H    LYS  10           H        LYS  10   7.599  -9.506   8.824
   72    HA   LYS  10           HA       LYS  10   6.439 -12.147   9.170
   73   1HB   LYS  10          1HB       LYS  10   5.660  -9.821   7.352
   74   2HB   LYS  10          2HB       LYS  10   4.636 -11.213   7.711
   75   1HG   LYS  10          1HG       LYS  10   5.677  -9.177   9.738
   76   2HG   LYS  10          2HG       LYS  10   4.112  -9.123   8.935
   77   1HD   LYS  10          1HD       LYS  10   3.382 -10.186  10.774
   78   2HD   LYS  10          2HD       LYS  10   3.912 -11.630   9.920
   79   1HE   LYS  10          1HE       LYS  10   6.065 -11.584  11.224
   80   2HE   LYS  10          2HE       LYS  10   5.598 -10.052  11.954
   81   1HZ   LYS  10          1HZ       LYS  10   4.164 -12.602  12.310
   82   2HZ   LYS  10          2HZ       LYS  10   5.193 -11.918  13.395
   83   3HZ   LYS  10          3HZ       LYS  10   3.778 -11.174  13.027
   84    H    GLY  11           H        GLY  11   7.308 -10.340   6.271
   85   1HA   GLY  11          1HA       GLY  11   8.803 -12.242   4.850
   86   2HA   GLY  11          2HA       GLY  11   7.089 -12.522   4.446
   87    H    ASN  12           H        ASN  12   8.901  -9.562   5.324
   88    HA   ASN  12           HA       ASN  12   9.049  -7.481   4.335
   89   1HB   ASN  12          1HB       ASN  12   8.828  -9.074   1.724
   90   2HB   ASN  12          2HB       ASN  12   9.334  -7.411   1.886
   91   1HD2  ASN  12          1HD2      ASN  12  10.740  -8.959   4.571
   92   2HD2  ASN  12          2HD2      ASN  12  12.327  -9.020   3.801
   93    H    VAL  13           H        VAL  13   7.874  -6.135   2.413
   94    HA   VAL  13           HA       VAL  13   5.068  -6.973   1.983
   95    HB   VAL  13           HB       VAL  13   6.066  -4.291   2.956
   96   1HG1  VAL  13          1HG1      VAL  13   3.338  -4.786   1.684
   97   2HG1  VAL  13          2HG1      VAL  13   3.948  -3.265   2.375
   98   3HG1  VAL  13          3HG1      VAL  13   4.632  -3.858   0.911
   99   1HG2  VAL  13          1HG2      VAL  13   5.141  -6.033   4.622
  100   2HG2  VAL  13          2HG2      VAL  13   4.422  -4.439   4.637
  101   3HG2  VAL  13          3HG2      VAL  13   3.572  -5.795   3.853
  102    H    THR  14           H        THR  14   5.367  -7.403  -0.255
  103    HA   THR  14           HA       THR  14   7.028  -5.562  -1.871
  104    HB   THR  14           HB       THR  14   5.068  -7.710  -2.776
  105    HG1  THR  14           HG1      THR  14   7.820  -7.809  -2.098
  106   1HG2  THR  14          1HG2      THR  14   5.737  -6.111  -4.552
  107   2HG2  THR  14          2HG2      THR  14   7.450  -6.359  -4.147
  108   3HG2  THR  14          3HG2      THR  14   6.488  -7.696  -4.813
  109    H    PHE  15           H        PHE  15   6.199  -3.566  -2.535
  110    HA   PHE  15           HA       PHE  15   3.265  -3.438  -3.016
  111   1HB   PHE  15          1HB       PHE  15   3.013  -1.315  -2.039
  112   2HB   PHE  15          2HB       PHE  15   3.720  -2.373  -0.840
  113    HD1  PHE  15           HD1      PHE  15   4.139   0.687  -2.776
  114    HD2  PHE  15           HD2      PHE  15   6.136  -2.179  -0.241
  115    HE1  PHE  15           HE1      PHE  15   5.789   2.420  -2.116
  116    HE2  PHE  15           HE2      PHE  15   7.784  -0.449   0.401
  117    HZ   PHE  15           HZ       PHE  15   7.594   1.843  -0.480
  118    H    ASP  16           H        ASP  16   2.920  -3.012  -5.051
  119    HA   ASP  16           HA       ASP  16   5.037  -2.123  -6.819
  120   1HB   ASP  16          1HB       ASP  16   3.169  -3.732  -7.399
  121   2HB   ASP  16          2HB       ASP  16   2.084  -2.334  -7.425
  122    H    HIS  17           H        HIS  17   4.889  -0.135  -8.028
  123    HA   HIS  17           HA       HIS  17   3.899   2.144  -6.338
  124   1HB   HIS  17          1HB       HIS  17   6.540   1.439  -6.741
  125   2HB   HIS  17          2HB       HIS  17   6.289   2.521  -8.093
  126    HD1  HIS  17           HND      HIS  17   7.721   2.773  -4.904
  127    HD2  HIS  17           HD       HIS  17   4.550   4.815  -6.766
  128    HE1  HIS  17           HE       HIS  17   7.506   4.997  -3.727
  129    H    LYS  18           H        LYS  18   5.146   1.268  -9.559
  130    HA   LYS  18           HA       LYS  18   3.770   3.299 -11.052
  131   1HB   LYS  18          1HB       LYS  18   5.109   2.796 -12.585
  132   2HB   LYS  18          2HB       LYS  18   5.813   1.630 -11.529
  133   1HG   LYS  18          1HG       LYS  18   3.474   0.978 -13.294
  134   2HG   LYS  18          2HG       LYS  18   5.144   0.962 -13.823
  135   1HD   LYS  18          1HD       LYS  18   5.806  -0.871 -12.654
  136   2HD   LYS  18          2HD       LYS  18   4.705  -0.555 -11.334
  137   1HE   LYS  18          1HE       LYS  18   2.771  -1.259 -12.858
  138   2HE   LYS  18          2HE       LYS  18   3.973  -1.750 -14.055
  139   1HZ   LYS  18          1HZ       LYS  18   4.830  -3.322 -12.417
  140   2HZ   LYS  18          2HZ       LYS  18   3.781  -2.810 -11.289
  141   3HZ   LYS  18          3HZ       LYS  18   3.212  -3.568 -12.615
  142    H    ALA  19           H        ALA  19   2.926  -0.119 -10.403
  143    HA   ALA  19           HA       ALA  19   0.560  -0.247 -11.957
  144   1HB   ALA  19          1HB       ALA  19  -0.190  -1.957 -10.421
  145   2HB   ALA  19          2HB       ALA  19   1.534  -2.176 -10.772
  146   3HB   ALA  19          3HB       ALA  19   1.014  -1.427  -9.228
  147    H    HIS  20           H        HIS  20   0.864   0.614  -8.460
  148    HA   HIS  20           HA       HIS  20  -1.890   1.331  -8.173
  149   1HB   HIS  20          1HB       HIS  20   0.605   1.992  -6.565
  150   2HB   HIS  20          2HB       HIS  20  -0.994   2.583  -6.132
  151    HD1  HIS  20           HND      HIS  20  -0.843  -0.954  -7.499
  152    HD2  HIS  20           HD       HIS  20  -1.592   1.142  -3.979
  153    HE1  HIS  20           HE       HIS  20  -1.497  -2.632  -5.833
  154    H    ALA  21           H        ALA  21   0.965   3.054  -9.334
  155    HA   ALA  21           HA       ALA  21  -0.276   5.656  -9.424
  156   1HB   ALA  21          1HB       ALA  21   1.865   4.734 -11.356
  157   2HB   ALA  21          2HB       ALA  21   1.494   6.356 -10.789
  158   3HB   ALA  21          3HB       ALA  21   2.189   5.157  -9.668
  159    H    GLU  22           H        GLU  22  -0.080   3.110 -11.950
  160    HA   GLU  22           HA       GLU  22  -1.506   4.725 -13.900
  161   1HB   GLU  22          1HB       GLU  22  -1.741   2.603 -15.214
  162   2HB   GLU  22          2HB       GLU  22  -0.085   3.144 -14.911
  163   1HG   GLU  22          1HG       GLU  22   0.314   1.421 -13.368
  164   2HG   GLU  22          2HG       GLU  22  -1.405   1.005 -13.213
  165    H    LYS  23           H        LYS  23  -2.472   2.102 -11.672
  166    HA   LYS  23           HA       LYS  23  -5.167   1.981 -12.731
  167   1HB   LYS  23          1HB       LYS  23  -4.135   1.067 -10.032
  168   2HB   LYS  23          2HB       LYS  23  -5.640   0.582 -10.811
  169   1HG   LYS  23          1HG       LYS  23  -2.810  -0.205 -11.504
  170   2HG   LYS  23          2HG       LYS  23  -4.173  -1.222 -11.075
  171   1HD   LYS  23          1HD       LYS  23  -5.236  -0.599 -13.293
  172   2HD   LYS  23          2HD       LYS  23  -3.750   0.308 -13.675
  173   1HE   LYS  23          1HE       LYS  23  -2.466  -1.878 -13.142
  174   2HE   LYS  23          2HE       LYS  23  -4.036  -2.696 -13.226
  175   1HZ   LYS  23          1HZ       LYS  23  -2.712  -1.114 -15.337
  176   2HZ   LYS  23          2HZ       LYS  23  -2.842  -2.739 -15.317
  177   3HZ   LYS  23          3HZ       LYS  23  -4.196  -1.808 -15.515
  178    H    LEU  24           H        LEU  24  -3.639   3.628  -9.901
  179    HA   LEU  24           HA       LEU  24  -6.299   4.635  -9.108
  180   1HB   LEU  24          1HB       LEU  24  -3.733   5.134  -7.634
  181   2HB   LEU  24          2HB       LEU  24  -5.393   5.099  -7.041
  182    HG   LEU  24           HG       LEU  24  -3.937   2.597  -8.024
  183   1HD1  LEU  24          1HD1      LEU  24  -3.531   2.054  -5.735
  184   2HD1  LEU  24          2HD1      LEU  24  -2.850   3.663  -6.066
  185   3HD1  LEU  24          3HD1      LEU  24  -4.349   3.525  -5.174
  186   1HD2  LEU  24          1HD2      LEU  24  -6.530   2.915  -6.495
  187   2HD2  LEU  24          2HD2      LEU  24  -6.351   2.398  -8.187
  188   3HD2  LEU  24          3HD2      LEU  24  -5.662   1.412  -6.892
  189    H    GLY  25           H        GLY  25  -2.988   6.018  -9.919
  190   1HA   GLY  25          1HA       GLY  25  -3.400   7.940 -11.529
  191   2HA   GLY  25          2HA       GLY  25  -4.179   8.725 -10.136
  192    H    CYS  26           H        CYS  26  -2.987   8.997  -8.229
  193    HA   CYS  26           HA       CYS  26  -0.281   8.305  -7.719
  194   1HB   CYS  26          1HB       CYS  26  -0.017  10.072  -9.735
  195   2HB   CYS  26          2HB       CYS  26  -0.431  11.241  -8.513
  196    H    ASP  27           H        ASP  27  -2.544  10.793  -7.665
  197    HA   ASP  27           HA       ASP  27  -2.509  12.257  -5.280
  198   1HB   ASP  27          1HB       ASP  27  -4.937  12.453  -5.832
  199   2HB   ASP  27          2HB       ASP  27  -3.897  12.779  -7.222
  200    H    ALA  28           H        ALA  28  -3.976   9.220  -6.169
  201    HA   ALA  28           HA       ALA  28  -5.481   8.408  -4.085
  202   1HB   ALA  28          1HB       ALA  28  -3.479   6.683  -5.602
  203   2HB   ALA  28          2HB       ALA  28  -4.948   6.109  -4.777
  204   3HB   ALA  28          3HB       ALA  28  -5.083   7.190  -6.184
  205    H    CYS  29           H        CYS  29  -1.942   8.452  -4.074
  206    HA   CYS  29           HA       CYS  29  -2.000   7.819  -1.127
  207   1HB   CYS  29          1HB       CYS  29   0.269   7.356  -3.062
  208   2HB   CYS  29          2HB       CYS  29   0.244   6.987  -1.327
  209    H    HIS  30           H        HIS  30  -0.361   9.613  -3.785
  210    HA   HIS  30           HA       HIS  30   1.038  11.283  -1.776
  211   1HB   HIS  30          1HB       HIS  30   1.215  11.024  -4.790
  212   2HB   HIS  30          2HB       HIS  30   2.098  12.217  -3.851
  213    HD1  HIS  30           HND      HIS  30   3.724  11.087  -1.846
  214    HD2  HIS  30           HD       HIS  30   2.485   8.763  -5.078
  215    HE1  HIS  30           HE       HIS  30   5.415   9.105  -2.075
  216    H    GLU  31           H        GLU  31  -1.083  12.046  -1.054
  217    HA   GLU  31           HA       GLU  31  -2.816  13.668  -2.407
  218   1HB   GLU  31          1HB       GLU  31  -1.795  13.743   0.424
  219   2HB   GLU  31          2HB       GLU  31  -2.842  15.061  -0.136
  220   1HG   GLU  31          1HG       GLU  31  -4.584  13.594  -0.799
  221   2HG   GLU  31          2HG       GLU  31  -3.549  12.188  -0.693
  222    H    GLY  32           H        GLY  32  -2.609  15.190  -3.679
  223   1HA   GLY  32          1HA       GLY  32  -1.992  17.198  -4.701
  224   2HA   GLY  32          2HA       GLY  32  -1.065  17.636  -3.261
  225    H    THR  33           H        THR  33   0.995  16.104  -2.978
  226    HA   THR  33           HA       THR  33   2.356  15.624  -5.552
  227    HB   THR  33           HB       THR  33   4.273  17.112  -4.735
  228    HG1  THR  33           HG1      THR  33   3.628  18.756  -3.275
  229   1HG2  THR  33          1HG2      THR  33   2.694  17.797  -6.574
  230   2HG2  THR  33          2HG2      THR  33   1.695  18.620  -5.357
  231   3HG2  THR  33          3HG2      THR  33   3.356  19.158  -5.649
  232    HA   PRO  34           HA       PRO  34   4.284  12.678  -2.872
  233   1HB   PRO  34          1HB       PRO  34   6.291  11.658  -4.352
  234   2HB   PRO  34          2HB       PRO  34   4.585  11.457  -4.841
  235   1HG   PRO  34          1HG       PRO  34   6.507  13.532  -5.784
  236   2HG   PRO  34          2HG       PRO  34   5.433  12.457  -6.752
  237   1HD   PRO  34          1HD       PRO  34   4.750  15.061  -6.125
  238   2HD   PRO  34          2HD       PRO  34   3.536  13.749  -6.242
  239    H    ALA  35           H        ALA  35   5.803  12.524  -1.276
  240    HA   ALA  35           HA       ALA  35   8.444  13.692  -1.456
  241   1HB   ALA  35          1HB       ALA  35   6.403  14.848   0.507
  242   2HB   ALA  35          2HB       ALA  35   8.149  15.186   0.508
  243   3HB   ALA  35          3HB       ALA  35   7.143  15.721  -0.850
  244    H    LYS  36           H        LYS  36   8.072  11.125  -1.346
  245    HA   LYS  36           HA       LYS  36   7.632   9.180  -0.386
  246   1HB   LYS  36          1HB       LYS  36   8.874  10.541   2.049
  247   2HB   LYS  36          2HB       LYS  36   8.456   8.839   1.971
  248   1HG   LYS  36          1HG       LYS  36   9.907   8.590  -0.056
  249   2HG   LYS  36          2HG       LYS  36  10.362  10.305   0.082
  250   1HD   LYS  36          1HD       LYS  36  12.148   9.120   1.089
  251   2HD   LYS  36          2HD       LYS  36  11.172   9.713   2.441
  252   1HE   LYS  36          1HE       LYS  36  11.497   7.509   3.038
  253   2HE   LYS  36          2HE       LYS  36   9.943   7.360   2.276
  254   1HZ   LYS  36          1HZ       LYS  36  12.516   6.529   1.133
  255   2HZ   LYS  36          2HZ       LYS  36  11.152   5.660   1.476
  256   3HZ   LYS  36          3HZ       LYS  36  11.168   6.682   0.208
  257    H    ILE  37           H        ILE  37   6.491   7.980   1.327
  258    HA   ILE  37           HA       ILE  37   4.372   9.587   2.710
  259    HB   ILE  37           HB       ILE  37   4.163   6.641   2.101
  260   1HG1  ILE  37          1HG1      ILE  37   4.191   7.861  -0.042
  261   2HG1  ILE  37          2HG1      ILE  37   2.715   6.981   0.294
  262   1HG2  ILE  37          1HG2      ILE  37   1.757   7.028   2.632
  263   2HG2  ILE  37          2HG2      ILE  37   2.847   7.351   3.992
  264   3HG2  ILE  37          3HG2      ILE  37   2.155   8.698   3.089
  265   1HD1  ILE  37          1HD1      ILE  37   3.040   9.990   0.614
  266   2HD1  ILE  37          2HD1      ILE  37   2.187   9.139  -0.695
  267   3HD1  ILE  37          3HD1      ILE  37   1.553   9.070   0.944
  268    H    ALA  38           H        ALA  38   6.304   6.691   2.765
  269    HA   ALA  38           HA       ALA  38   7.545   5.586   4.299
  270   1HB   ALA  38          1HB       ALA  38   7.104   7.869   6.240
  271   2HB   ALA  38          2HB       ALA  38   8.265   6.537   6.356
  272   3HB   ALA  38          3HB       ALA  38   8.416   7.736   5.036
  273    H    ILE  39           H        ILE  39   5.873   4.074   4.106
  274    HA   ILE  39           HA       ILE  39   3.766   4.095   6.195
  275    HB   ILE  39           HB       ILE  39   4.147   2.542   3.635
  276   1HG1  ILE  39          1HG1      ILE  39   3.289   4.762   3.280
  277   2HG1  ILE  39          2HG1      ILE  39   1.997   3.585   3.057
  278   1HG2  ILE  39          1HG2      ILE  39   1.838   1.577   4.271
  279   2HG2  ILE  39          2HG2      ILE  39   3.268   0.903   5.054
  280   3HG2  ILE  39          3HG2      ILE  39   2.244   2.064   5.927
  281   1HD1  ILE  39          1HD1      ILE  39   1.295   4.124   5.476
  282   2HD1  ILE  39          2HD1      ILE  39   2.369   5.529   5.362
  283   3HD1  ILE  39          3HD1      ILE  39   1.008   5.371   4.250
  284    H    ASP  40           H        ASP  40   4.265   3.324   7.988
  285    HA   ASP  40           HA       ASP  40   6.208   1.119   8.385
  286   1HB   ASP  40          1HB       ASP  40   4.668   2.571  10.569
  287   2HB   ASP  40          2HB       ASP  40   6.218   1.739  10.682
  288    H    LYS  41           H        LYS  41   5.430  -0.726   9.580
  289    HA   LYS  41           HA       LYS  41   3.233  -2.068   9.738
  290   1HB   LYS  41          1HB       LYS  41   3.557  -2.346  12.211
  291   2HB   LYS  41          2HB       LYS  41   4.933  -2.705  11.223
  292   1HG   LYS  41          1HG       LYS  41   4.817  -0.003  12.555
  293   2HG   LYS  41          2HG       LYS  41   5.206  -1.468  13.455
  294   1HD   LYS  41          1HD       LYS  41   7.061  -1.966  11.804
  295   2HD   LYS  41          2HD       LYS  41   6.729  -0.439  11.015
  296   1HE   LYS  41          1HE       LYS  41   8.548  -0.014  12.387
  297   2HE   LYS  41          2HE       LYS  41   7.164   0.804  13.117
  298   1HZ   LYS  41          1HZ       LYS  41   8.513  -0.373  14.727
  299   2HZ   LYS  41          2HZ       LYS  41   7.009  -1.039  14.675
  300   3HZ   LYS  41          3HZ       LYS  41   8.273  -1.805  13.950
  301    H    LYS  42           H        LYS  42   3.368   0.928  11.624
  302    HA   LYS  42           HA       LYS  42   0.763   0.681  12.726
  303   1HB   LYS  42          1HB       LYS  42   2.871   2.191  13.345
  304   2HB   LYS  42          2HB       LYS  42   2.078   3.392  12.332
  305   1HG   LYS  42          1HG       LYS  42  -0.029   2.946  13.738
  306   2HG   LYS  42          2HG       LYS  42   1.027   1.955  14.774
  307   1HD   LYS  42          1HD       LYS  42   2.537   4.045  15.002
  308   2HD   LYS  42          2HD       LYS  42   1.305   4.931  14.105
  309   1HE   LYS  42          1HE       LYS  42   0.919   5.419  16.404
  310   2HE   LYS  42          2HE       LYS  42  -0.381   4.334  15.897
  311   1HZ   LYS  42          1HZ       LYS  42   2.042   3.561  17.400
  312   2HZ   LYS  42          2HZ       LYS  42   0.532   3.720  18.025
  313   3HZ   LYS  42          3HZ       LYS  42   0.845   2.525  16.943
  314    H    SER  43           H        SER  43   1.729   3.264  10.369
  315    HA   SER  43           HA       SER  43  -0.736   4.042   9.545
  316   1HB   SER  43          1HB       SER  43   1.757   3.847   7.811
  317   2HB   SER  43          2HB       SER  43   0.464   5.063   7.740
  318    HG   SER  43           HG       SER  43   2.487   5.609   8.973
  319    H    ALA  44           H        ALA  44   1.329   1.557   8.131
  320    HA   ALA  44           HA       ALA  44   0.180   0.568   5.861
  321   1HB   ALA  44          1HB       ALA  44   2.193  -0.285   6.773
  322   2HB   ALA  44          2HB       ALA  44   1.409  -0.759   8.275
  323   3HB   ALA  44          3HB       ALA  44   0.968  -1.616   6.818
  324    H    HIS  45           H        HIS  45  -0.572  -0.623   9.108
  325    HA   HIS  45           HA       HIS  45  -2.898  -2.154   8.152
  326   1HB   HIS  45          1HB       HIS  45  -1.266  -2.011  10.685
  327   2HB   HIS  45          2HB       HIS  45  -2.920  -2.593  10.764
  328    HD1  HIS  45           HND      HIS  45  -2.826  -5.075  10.986
  329    HD2  HIS  45           HD       HIS  45  -0.056  -3.548   8.226
  330    HE1  HIS  45           HE       HIS  45  -1.589  -7.069  10.025
  331    H    LYS  46           H        LYS  46  -2.261   0.953   9.682
  332    HA   LYS  46           HA       LYS  46  -4.765   1.164  11.073
  333   1HB   LYS  46          1HB       LYS  46  -2.746   2.436  11.613
  334   2HB   LYS  46          2HB       LYS  46  -2.845   3.322  10.094
  335   1HG   LYS  46          1HG       LYS  46  -4.982   3.374  12.278
  336   2HG   LYS  46          2HG       LYS  46  -3.612   4.497  12.166
  337   1HD   LYS  46          1HD       LYS  46  -4.392   5.050   9.819
  338   2HD   LYS  46          2HD       LYS  46  -5.925   4.236  10.225
  339   1HE   LYS  46          1HE       LYS  46  -6.139   5.834  12.186
  340   2HE   LYS  46          2HE       LYS  46  -4.692   6.669  11.581
  341   1HZ   LYS  46          1HZ       LYS  46  -6.597   7.788  10.728
  342   2HZ   LYS  46          2HZ       LYS  46  -5.945   6.962   9.455
  343   3HZ   LYS  46          3HZ       LYS  46  -7.258   6.388  10.156
  344    H    ASP  47           H        ASP  47  -3.683   2.963   8.128
  345    HA   ASP  47           HA       ASP  47  -6.101   2.168   6.698
  346   1HB   ASP  47          1HB       ASP  47  -6.935   4.413   6.380
  347   2HB   ASP  47          2HB       ASP  47  -6.912   4.022   8.093
  348    H    ALA  48           H        ALA  48  -2.877   2.492   6.396
  349    HA   ALA  48           HA       ALA  48  -2.874   4.062   3.944
  350   1HB   ALA  48          1HB       ALA  48  -0.722   2.302   5.086
  351   2HB   ALA  48          2HB       ALA  48  -0.555   3.441   3.742
  352   3HB   ALA  48          3HB       ALA  48  -0.955   4.037   5.375
  353    H    CYS  49           H        CYS  49  -2.206   0.579   4.593
  354    HA   CYS  49           HA       CYS  49  -2.945  -0.083   1.810
  355   1HB   CYS  49          1HB       CYS  49  -1.837  -1.938   3.864
  356   2HB   CYS  49          2HB       CYS  49  -1.770  -2.089   2.117
  357    H    LYS  50           H        LYS  50  -3.662  -1.009   5.238
  358    HA   LYS  50           HA       LYS  50  -5.870  -2.705   4.348
  359   1HB   LYS  50          1HB       LYS  50  -4.421  -3.300   6.249
  360   2HB   LYS  50          2HB       LYS  50  -5.008  -1.881   7.114
  361   1HG   LYS  50          1HG       LYS  50  -6.071  -3.858   7.977
  362   2HG   LYS  50          2HG       LYS  50  -7.265  -2.822   7.245
  363   1HD   LYS  50          1HD       LYS  50  -7.877  -4.987   6.639
  364   2HD   LYS  50          2HD       LYS  50  -7.185  -4.314   5.162
  365   1HE   LYS  50          1HE       LYS  50  -5.039  -5.525   5.633
  366   2HE   LYS  50          2HE       LYS  50  -5.710  -6.111   7.162
  367   1HZ   LYS  50          1HZ       LYS  50  -6.719  -6.797   4.479
  368   2HZ   LYS  50          2HZ       LYS  50  -5.879  -7.775   5.499
  369   3HZ   LYS  50          3HZ       LYS  50  -7.392  -7.285   5.900
  370    H    THR  51           H        THR  51  -6.577  -0.574   3.174
  371    HA   THR  51           HA       THR  51  -9.163  -0.241   4.427
  372    HB   THR  51           HB       THR  51  -7.949   1.750   5.356
  373    HG1  THR  51           HG1      THR  51  -9.717   3.124   4.764
  374   1HG2  THR  51          1HG2      THR  51  -8.178   2.889   2.525
  375   2HG2  THR  51          2HG2      THR  51  -7.564   3.686   3.967
  376   3HG2  THR  51          3HG2      THR  51  -6.649   2.343   3.253
  377    H    CYS  52           H        CYS  52  -7.092   0.846   1.698
  378    HA   CYS  52           HA       CYS  52  -9.104   1.201  -0.203
  379   1HB   CYS  52          1HB       CYS  52  -6.189   0.433  -0.289
  380   2HB   CYS  52          2HB       CYS  52  -7.159   0.339  -1.751
  381    H    HIS  53           H        HIS  53  -7.229  -1.766   0.371
  382    HA   HIS  53           HA       HIS  53  -8.711  -3.278  -1.555
  383   1HB   HIS  53          1HB       HIS  53  -7.016  -4.654   0.492
  384   2HB   HIS  53          2HB       HIS  53  -7.232  -4.997  -1.213
  385    HD1  HIS  53           HND      HIS  53  -5.348  -2.549   1.174
  386    HD2  HIS  53           HD       HIS  53  -5.423  -3.664  -2.922
  387    HE1  HIS  53           HE       HIS  53  -3.381  -1.547   0.067
  388    H    LYS  54           H        LYS  54 -10.739  -2.416  -0.222
  389    HA   LYS  54           HA       LYS  54 -11.766  -4.583   1.555
  390   1HB   LYS  54          1HB       LYS  54 -12.206  -1.586   1.623
  391   2HB   LYS  54          2HB       LYS  54 -13.191  -2.739   2.529
  392   1HG   LYS  54          1HG       LYS  54 -10.148  -2.649   2.734
  393   2HG   LYS  54          2HG       LYS  54 -11.180  -1.647   3.715
  394   1HD   LYS  54          1HD       LYS  54 -11.981  -4.505   3.740
  395   2HD   LYS  54          2HD       LYS  54 -10.337  -4.222   4.296
  396   1HE   LYS  54          1HE       LYS  54 -11.948  -4.148   6.189
  397   2HE   LYS  54          2HE       LYS  54 -11.092  -2.613   5.982
  398   1HZ   LYS  54          1HZ       LYS  54 -13.836  -3.181   5.054
  399   2HZ   LYS  54          2HZ       LYS  54 -13.419  -2.258   6.349
  400   3HZ   LYS  54          3HZ       LYS  54 -13.036  -1.763   4.831
  401    H    SER  55           H        SER  55 -12.909  -1.818  -0.420
  402    HA   SER  55           HA       SER  55 -15.162  -3.498  -1.469
  403   1HB   SER  55          1HB       SER  55 -15.223  -0.574  -0.627
  404   2HB   SER  55          2HB       SER  55 -16.590  -1.572  -1.148
  405    HG   SER  55           HG       SER  55 -16.113  -2.938   0.690
  406    H    ASN  56           H        ASN  56 -12.777  -3.295  -2.830
  407    HA   ASN  56           HA       ASN  56 -13.608  -1.777  -5.257
  408   1HB   ASN  56          1HB       ASN  56 -11.260  -1.301  -5.730
  409   2HB   ASN  56          2HB       ASN  56 -11.822  -0.501  -4.257
  410   1HD2  ASN  56          1HD2      ASN  56  -9.106  -0.718  -4.748
  411   2HD2  ASN  56          2HD2      ASN  56  -8.406  -1.838  -3.595
  412    H    ASN  57           H        ASN  57 -11.422  -4.323  -4.017
  413    HA   ASN  57           HA       ASN  57 -11.896  -5.943  -6.491
  414   1HB   ASN  57          1HB       ASN  57  -9.560  -5.927  -4.525
  415   2HB   ASN  57          2HB       ASN  57  -9.764  -7.025  -5.898
  416   1HD2  ASN  57          1HD2      ASN  57  -7.529  -6.089  -6.384
  417   2HD2  ASN  57          2HD2      ASN  57  -7.504  -4.604  -7.314
  418    H    GLY  58           H        GLY  58 -10.968  -6.487  -3.016
  419   1HA   GLY  58          1HA       GLY  58 -13.271  -7.636  -2.080
  420   2HA   GLY  58          2HA       GLY  58 -12.393  -8.974  -2.869
  421    HA   PRO  59           HA       PRO  59 -10.515  -8.221   1.408
  422   1HB   PRO  59          1HB       PRO  59 -11.430 -10.422   2.739
  423   2HB   PRO  59          2HB       PRO  59 -12.420  -8.944   2.567
  424   1HG   PRO  59          1HG       PRO  59 -12.522 -11.438   0.843
  425   2HG   PRO  59          2HG       PRO  59 -13.891 -10.614   1.646
  426   1HD   PRO  59          1HD       PRO  59 -13.256 -10.152  -0.963
  427   2HD   PRO  59          2HD       PRO  59 -13.826  -8.823   0.087
  428    H    THR  60           H        THR  60  -8.895  -9.662   2.432
  429    HA   THR  60           HA       THR  60  -7.579 -11.463   0.439
  430    HB   THR  60           HB       THR  60  -5.481 -10.451   1.464
  431    HG1  THR  60           HG1      THR  60  -6.081  -8.227   2.234
  432   1HG2  THR  60          1HG2      THR  60  -5.600  -8.442   0.055
  433   2HG2  THR  60          2HG2      THR  60  -6.374  -9.807  -0.759
  434   3HG2  THR  60          3HG2      THR  60  -7.372  -8.551  -0.005
  435    H    LYS  61           H        LYS  61  -7.792 -10.654   3.889
  436    HA   LYS  61           HA       LYS  61  -7.861 -11.941   5.751
  437   1HB   LYS  61          1HB       LYS  61  -9.090 -13.579   3.833
  438   2HB   LYS  61          2HB       LYS  61  -7.929 -14.658   4.581
  439   1HG   LYS  61          1HG       LYS  61 -10.050 -12.957   5.954
  440   2HG   LYS  61          2HG       LYS  61 -10.144 -14.695   5.598
  441   1HD   LYS  61          1HD       LYS  61  -7.988 -14.957   7.002
  442   2HD   LYS  61          2HD       LYS  61  -8.295 -13.334   7.620
  443   1HE   LYS  61          1HE       LYS  61 -10.094 -15.801   7.847
  444   2HE   LYS  61          2HE       LYS  61  -9.184 -15.034   9.153
  445   1HZ   LYS  61          1HZ       LYS  61 -11.485 -14.429   9.218
  446   2HZ   LYS  61          2HZ       LYS  61 -10.589 -13.089   8.900
  447   3HZ   LYS  61          3HZ       LYS  61 -11.442 -13.824   7.694
  448    H    CYS  62           H        CYS  62  -5.722 -10.962   5.500
  449    HA   CYS  62           HA       CYS  62  -3.590 -10.757   5.466
  450   1HB   CYS  62          1HB       CYS  62  -3.092 -13.606   6.236
  451   2HB   CYS  62          2HB       CYS  62  -2.021 -12.199   6.414
  452    H    GLY  63           H        GLY  63  -1.469 -12.527   4.523
  453   1HA   GLY  63          1HA       GLY  63  -0.674 -13.562   2.649
  454   2HA   GLY  63          2HA       GLY  63  -2.316 -13.669   2.004
  455    H    GLY  64           H        GLY  64  -3.068 -11.076   1.848
  456   1HA   GLY  64          1HA       GLY  64  -2.650 -10.258  -0.596
  457   2HA   GLY  64          2HA       GLY  64  -2.873  -9.082   0.708
  458    H    CYS  65           H        CYS  65  -0.479  -9.130   1.996
  459    HA   CYS  65           HA       CYS  65   1.115  -7.565   0.010
  460   1HB   CYS  65          1HB       CYS  65   0.644  -7.056   2.924
  461   2HB   CYS  65          2HB       CYS  65   1.298  -5.920   1.737
  462    H    HIS  66           H        HIS  66   1.333  -9.478   3.030
  463    HA   HIS  66           HA       HIS  66   4.256  -9.377   3.033
  464   1HB   HIS  66          1HB       HIS  66   2.329 -11.108   4.634
  465   2HB   HIS  66          2HB       HIS  66   4.068 -10.991   4.878
  466    HD1  HIS  66           HND      HIS  66   4.907  -8.233   5.371
  467    HD2  HIS  66           HD       HIS  66   0.896  -9.409   6.122
  468    HE1  HIS  66           HE       HIS  66   3.901  -6.608   7.038
  469    H    ILE  67           H        ILE  67   5.523 -10.711   1.830
  470    HA   ILE  67           HA       ILE  67   4.242 -12.977   0.399
  471    HB   ILE  67           HB       ILE  67   7.047 -11.833   0.187
  472   1HG1  ILE  67          1HG1      ILE  67   5.524 -10.067  -0.446
  473   2HG1  ILE  67          2HG1      ILE  67   6.266 -10.754  -1.888
  474   1HG2  ILE  67          1HG2      ILE  67   7.028 -13.018  -2.013
  475   2HG2  ILE  67          2HG2      ILE  67   6.928 -14.123  -0.637
  476   3HG2  ILE  67          3HG2      ILE  67   5.474 -13.760  -1.579
  477   1HD1  ILE  67          1HD1      ILE  67   3.423 -11.271  -0.905
  478   2HD1  ILE  67          2HD1      ILE  67   3.921 -10.285  -2.283
  479   3HD1  ILE  67          3HD1      ILE  67   4.161 -12.038  -2.334
  480    H    LYS  68           H        LYS  68   3.780 -14.021   2.456
  481    HA   LYS  68           HA       LYS  68   6.072 -15.646   3.352
  482   1HB   LYS  68          1HB       LYS  68   5.259 -14.021   5.169
  483   2HB   LYS  68          2HB       LYS  68   3.695 -14.861   5.092
  484   1HG   LYS  68          1HG       LYS  68   4.929 -17.030   5.544
  485   2HG   LYS  68          2HG       LYS  68   6.420 -16.084   5.700
  486   1HD   LYS  68          1HD       LYS  68   5.345 -14.822   7.592
  487   2HD   LYS  68          2HD       LYS  68   3.924 -15.879   7.447
  488   1HE   LYS  68          1HE       LYS  68   5.316 -17.873   7.894
  489   2HE   LYS  68          2HE       LYS  68   6.787 -16.883   7.904
  490   1HZ   LYS  68          1HZ       LYS  68   4.600 -16.661   9.851
  491   2HZ   LYS  68          2HZ       LYS  68   6.052 -17.395  10.104
  492   3HZ   LYS  68          3HZ       LYS  68   5.996 -15.774   9.837
  493    HHA  HEC  69           HCM      HEC  69   8.643   7.296  -1.630
  494    HHB  HEC  69           HDM      HEC  69   6.923  10.185  -6.990
  495    HHC  HEC  69           HAM      HEC  69   1.675   6.549  -7.283
  496    HHD  HEC  69           HBM      HEC  69   2.878   4.565  -1.368
  497   1HMA  HEC  69          HM81      HEC  69  10.432  10.174  -5.701
  498   2HMA  HEC  69          HM82      HEC  69   9.170  10.235  -6.916
  499   3HMA  HEC  69          HM83      HEC  69   9.149  11.401  -5.568
  500   1HAA  HEC  69          HP71      HEC  69  10.661   9.988  -3.489
  501   2HAA  HEC  69          HP72      HEC  69  10.070   9.117  -2.103
  502   1HBA  HEC  69          HP73      HEC  69  11.336   7.741  -4.502
  503   2HBA  HEC  69          HP74      HEC  69  12.259   8.309  -3.103
  504   1HMB  HEC  69          HM11      HEC  69   5.133   9.647 -10.108
  505   2HMB  HEC  69          HM12      HEC  69   4.468  10.954  -9.091
  506   3HMB  HEC  69          HM13      HEC  69   6.164  10.463  -8.952
  507    HAB  HEC  69          HT2A      HEC  69   1.583   7.934  -8.864
  508   1HBB  HEC  69          HT21      HEC  69   2.925   9.978 -10.608
  509   2HBB  HEC  69          HT22      HEC  69   3.182   8.229 -10.847
  510   3HBB  HEC  69          HT23      HEC  69   1.559   8.918 -10.942
  511   1HMC  HEC  69          HM31      HEC  69  -0.786   4.697  -5.182
  512   2HMC  HEC  69          HM32      HEC  69  -0.434   6.267  -5.903
  513   3HMC  HEC  69          HM33      HEC  69   0.173   4.776  -6.669
  514    HAC  HEC  69          HT4A      HEC  69   0.816   4.461  -1.629
  515   1HBC  HEC  69          HT41      HEC  69  -0.695   2.637  -2.271
  516   2HBC  HEC  69          HT42      HEC  69  -0.252   2.892  -3.970
  517   3HBC  HEC  69          HT43      HEC  69   0.970   2.334  -2.821
  518   1HMD  HEC  69          HM51      HEC  69   5.213   4.706   1.545
  519   2HMD  HEC  69          HM52      HEC  69   3.676   4.718   0.703
  520   3HMD  HEC  69          HM53      HEC  69   4.852   3.441   0.357
  521   1HAD  HEC  69          HP61      HEC  69   8.662   5.521  -0.308
  522   2HAD  HEC  69          HP62      HEC  69   7.964   6.535   0.949
  523   1HBD  HEC  69          HP63      HEC  69   7.256   4.631   2.158
  524   2HBD  HEC  69          HP64      HEC  69   7.218   3.641   0.683
  525    HHA  HEC  70           HCM      HEC  70  -3.601  -4.981  -6.087
  526    HHB  HEC  70           HDM      HEC  70   0.419  -4.391  -1.152
  527    HHC  HEC  70           HAM      HEC  70  -1.948   1.378   0.137
  528    HHD  HEC  70           HBM      HEC  70  -6.047   0.736  -4.680
  529   1HMA  HEC  70          HM81      HEC  70   1.319  -5.827  -2.982
  530   2HMA  HEC  70          HM82      HEC  70   0.245  -6.858  -2.012
  531   3HMA  HEC  70          HM83      HEC  70   0.504  -7.204  -3.731
  532   1HAA  HEC  70          HP71      HEC  70  -1.350  -7.739  -4.864
  533   2HAA  HEC  70          HP72      HEC  70  -2.837  -7.041  -5.468
  534   1HBA  HEC  70          HP73      HEC  70  -1.372  -5.549  -6.971
  535   2HBA  HEC  70          HP74      HEC  70  -0.027  -6.598  -6.512
  536   1HMB  HEC  70          HM11      HEC  70   0.636  -3.566   1.379
  537   2HMB  HEC  70          HM12      HEC  70   1.919  -3.292   0.188
  538   3HMB  HEC  70          HM13      HEC  70   1.725  -2.185   1.554
  539    HAB  HEC  70          HT2A      HEC  70  -0.464   1.051   1.487
  540   1HBB  HEC  70          HT21      HEC  70   1.668   1.230   0.304
  541   2HBB  HEC  70          HT22      HEC  70   1.834   1.400   2.052
  542   3HBB  HEC  70          HT23      HEC  70   2.319  -0.102   1.260
  543   1HMC  HEC  70          HM31      HEC  70  -4.339   3.177   0.161
  544   2HMC  HEC  70          HM32      HEC  70  -2.702   3.437  -0.487
  545   3HMC  HEC  70          HM33      HEC  70  -4.090   4.168  -1.279
  546    HAC  HEC  70          HT4A      HEC  70  -6.936   1.980  -3.226
  547   1HBC  HEC  70          HT41      HEC  70  -6.334   3.768  -4.386
  548   2HBC  HEC  70          HT42      HEC  70  -7.035   4.541  -2.963
  549   3HBC  HEC  70          HT43      HEC  70  -5.263   4.446  -3.126
  550   1HMD  HEC  70          HM51      HEC  70  -7.696  -1.650  -6.890
  551   2HMD  HEC  70          HM52      HEC  70  -7.287  -0.071  -6.185
  552   3HMD  HEC  70          HM53      HEC  70  -6.522  -0.584  -7.697
  553   1HAD  HEC  70          HP61      HEC  70  -5.355  -4.424  -7.717
  554   2HAD  HEC  70          HP62      HEC  70  -5.874  -2.857  -8.375
  555   1HBD  HEC  70          HP63      HEC  70  -3.027  -3.848  -8.038
  556   2HBD  HEC  70          HP64      HEC  70  -3.903  -3.539  -9.535
  557    HHA  HEC  71           HCM      HEC  71   4.079  -4.438   9.606
  558    HHB  HEC  71           HDM      HEC  71   0.882  -9.608  11.408
  559    HHC  HEC  71           HAM      HEC  71  -2.658  -9.146   6.183
  560    HHD  HEC  71           HBM      HEC  71   0.614  -4.149   4.209
  561   1HMA  HEC  71          HM81      HEC  71   2.828  -7.453  13.637
  562   2HMA  HEC  71          HM82      HEC  71   2.128  -8.968  13.077
  563   3HMA  HEC  71          HM83      HEC  71   3.884  -8.677  12.926
  564   1HAA  HEC  71          HP71      HEC  71   4.653  -4.945  11.955
  565   2HAA  HEC  71          HP72      HEC  71   4.930  -6.537  12.624
  566   1HBA  HEC  71          HP73      HEC  71   5.822  -7.055  10.167
  567   2HBA  HEC  71          HP74      HEC  71   6.097  -5.316  10.158
  568   1HMB  HEC  71          HM11      HEC  71  -1.425 -10.918  11.625
  569   2HMB  HEC  71          HM12      HEC  71  -1.782 -12.126  10.366
  570   3HMB  HEC  71          HM13      HEC  71  -0.105 -11.794  10.808
  571    HAB  HEC  71          HT2A      HEC  71  -3.868  -9.958   7.735
  572   1HBB  HEC  71          HT21      HEC  71  -3.755 -10.795  10.623
  573   2HBB  HEC  71          HT22      HEC  71  -3.987  -9.136  10.034
  574   3HBB  HEC  71          HT23      HEC  71  -5.177 -10.395   9.652
  575   1HMC  HEC  71          HM31      HEC  71  -2.942  -7.781   2.800
  576   2HMC  HEC  71          HM32      HEC  71  -2.565  -9.116   3.891
  577   3HMC  HEC  71          HM33      HEC  71  -3.895  -8.006   4.288
  578    HAC  HEC  71          HT4A      HEC  71  -1.028  -4.339   2.948
  579   1HBC  HEC  71          HT41      HEC  71  -3.158  -4.212   1.887
  580   2HBC  HEC  71          HT42      HEC  71  -3.729  -5.667   2.707
  581   3HBC  HEC  71          HT43      HEC  71  -3.355  -4.209   3.652
  582   1HMD  HEC  71          HM51      HEC  71   2.610  -2.992   3.915
  583   2HMD  HEC  71          HM52      HEC  71   1.641  -1.844   4.800
  584   3HMD  HEC  71          HM53      HEC  71   3.399  -1.781   4.954
  585   1HAD  HEC  71          HP61      HEC  71   5.036  -2.696   6.219
  586   2HAD  HEC  71          HP62      HEC  71   4.290  -1.636   7.397
  587   1HBD  HEC  71          HP63      HEC  71   5.300  -2.948   9.176
  588   2HBD  HEC  71          HP64      HEC  71   5.823  -4.200   8.024
  Start of MODEL   24
    1   1H    ALA   1          1H        ALA   1  11.009   2.175  -6.220
    2   2H    ALA   1          2H        ALA   1  12.054   3.442  -6.466
    3   3H    ALA   1          3H        ALA   1  10.405   3.674  -6.470
    4    HA   ALA   1           HA       ALA   1  11.399   3.709  -8.683
    5   1HB   ALA   1          1HB       ALA   1  11.557   0.700  -8.181
    6   2HB   ALA   1          2HB       ALA   1  11.896   1.543  -9.709
    7   3HB   ALA   1          3HB       ALA   1  12.952   1.794  -8.317
    8    H    ASP   2           H        ASP   2   9.883   1.313 -10.021
    9    HA   ASP   2           HA       ASP   2   7.207   2.478  -9.777
   10   1HB   ASP   2          1HB       ASP   2   6.882   1.084 -11.792
   11   2HB   ASP   2          2HB       ASP   2   8.384   1.990 -11.967
   12    H    VAL   3           H        VAL   3   9.013  -0.109  -8.369
   13    HA   VAL   3           HA       VAL   3   6.632  -0.907  -6.885
   14    HB   VAL   3           HB       VAL   3   6.580  -2.566  -8.629
   15   1HG1  VAL   3          1HG1      VAL   3   8.498  -4.016  -9.204
   16   2HG1  VAL   3          2HG1      VAL   3   8.804  -2.331  -9.621
   17   3HG1  VAL   3          3HG1      VAL   3   9.557  -3.035  -8.173
   18   1HG2  VAL   3          1HG2      VAL   3   6.293  -3.436  -6.308
   19   2HG2  VAL   3          2HG2      VAL   3   6.925  -4.642  -7.435
   20   3HG2  VAL   3          3HG2      VAL   3   8.017  -3.866  -6.276
   21    H    VAL   4           H        VAL   4   7.253  -1.579  -4.722
   22    HA   VAL   4           HA       VAL   4  10.143  -1.761  -4.145
   23    HB   VAL   4           HB       VAL   4   8.216   0.280  -2.970
   24   1HG1  VAL   4          1HG1      VAL   4   9.239  -0.780  -0.996
   25   2HG1  VAL   4          2HG1      VAL   4  10.853  -0.622  -1.728
   26   3HG1  VAL   4          3HG1      VAL   4   9.931   0.815  -1.256
   27   1HG2  VAL   4          1HG2      VAL   4  11.009   0.440  -4.156
   28   2HG2  VAL   4          2HG2      VAL   4   9.499   1.120  -4.825
   29   3HG2  VAL   4          3HG2      VAL   4  10.199   1.790  -3.349
   30    H    THR   5           H        THR   5  10.428  -2.651  -1.921
   31    HA   THR   5           HA       THR   5   7.955  -3.525  -0.761
   32    HB   THR   5           HB       THR   5   8.787  -5.604  -1.837
   33    HG1  THR   5           HG1      THR   5   7.842  -5.352   0.329
   34   1HG2  THR   5          1HG2      THR   5  10.827  -6.711  -1.079
   35   2HG2  THR   5          2HG2      THR   5  11.249  -5.142  -1.791
   36   3HG2  THR   5          3HG2      THR   5  11.235  -5.348  -0.024
   37    H    TYR   6           H        TYR   6   7.813  -3.389   1.361
   38    HA   TYR   6           HA       TYR   6  10.172  -2.496   2.942
   39   1HB   TYR   6          1HB       TYR   6   7.378  -3.119   3.953
   40   2HB   TYR   6          2HB       TYR   6   8.677  -2.298   4.793
   41    HD1  TYR   6           HD1      TYR   6   9.614  -0.195   3.082
   42    HD2  TYR   6           HD2      TYR   6   5.597  -1.717   3.440
   43    HE1  TYR   6           HE1      TYR   6   8.720   1.942   2.232
   44    HE2  TYR   6           HE2      TYR   6   4.718   0.429   2.583
   45    HH   TYR   6           HH       TYR   6   6.839   3.187   1.856
   46    H    GLU   7           H        GLU   7  11.487  -4.222   3.249
   47    HA   GLU   7           HA       GLU   7  10.506  -6.944   3.563
   48   1HB   GLU   7          1HB       GLU   7  12.881  -7.390   4.238
   49   2HB   GLU   7          2HB       GLU   7  12.672  -6.745   2.607
   50   1HG   GLU   7          1HG       GLU   7  13.432  -4.525   3.318
   51   2HG   GLU   7          2HG       GLU   7  13.500  -5.058   5.009
   52    H    ASN   8           H        ASN   8   9.973  -7.920   5.534
   53    HA   ASN   8           HA       ASN   8  10.435  -6.420   8.042
   54   1HB   ASN   8          1HB       ASN   8   7.682  -7.544   7.700
   55   2HB   ASN   8          2HB       ASN   8   8.229  -6.134   8.611
   56   1HD2  ASN   8          1HD2      ASN   8   7.519  -7.405   5.385
   57   2HD2  ASN   8          2HD2      ASN   8   7.321  -5.816   4.641
   58    H    LYS   9           H        LYS   9   9.396  -7.794   9.845
   59    HA   LYS   9           HA       LYS   9  10.816 -10.274   9.844
   60   1HB   LYS   9          1HB       LYS   9  10.049  -8.481  11.712
   61   2HB   LYS   9          2HB       LYS   9   8.731  -9.604  11.934
   62   1HG   LYS   9          1HG       LYS   9  10.044 -11.078  13.038
   63   2HG   LYS   9          2HG       LYS   9  11.348 -11.016  11.853
   64   1HD   LYS   9          1HD       LYS   9  10.785  -8.772  13.812
   65   2HD   LYS   9          2HD       LYS   9  11.863 -10.129  14.212
   66   1HE   LYS   9          1HE       LYS   9  13.374  -9.594  12.368
   67   2HE   LYS   9          2HE       LYS   9  12.293  -8.338  11.758
   68   1HZ   LYS   9          1HZ       LYS   9  14.096  -7.409  12.978
   69   2HZ   LYS   9          2HZ       LYS   9  12.688  -7.083  13.754
   70   3HZ   LYS   9          3HZ       LYS   9  13.704  -8.244  14.338
   71    H    LYS  10           H        LYS  10   7.463  -9.360   9.445
   72    HA   LYS  10           HA       LYS  10   6.261 -11.989   9.526
   73   1HB   LYS  10          1HB       LYS  10   5.350  -9.517   7.972
   74   2HB   LYS  10          2HB       LYS  10   4.354 -10.926   8.328
   75   1HG   LYS  10          1HG       LYS  10   5.545  -9.045  10.399
   76   2HG   LYS  10          2HG       LYS  10   4.025  -8.778   9.604
   77   1HD   LYS  10          1HD       LYS  10   3.440  -9.726  11.651
   78   2HD   LYS  10          2HD       LYS  10   3.133 -10.956  10.442
   79   1HE   LYS  10          1HE       LYS  10   4.142 -11.702  12.655
   80   2HE   LYS  10          2HE       LYS  10   4.959 -12.290  11.209
   81   1HZ   LYS  10          1HZ       LYS  10   5.878  -9.894  12.688
   82   2HZ   LYS  10          2HZ       LYS  10   6.449 -11.413  12.992
   83   3HZ   LYS  10          3HZ       LYS  10   6.652 -10.681  11.530
   84    H    GLY  11           H        GLY  11   6.609  -9.978   6.609
   85   1HA   GLY  11          1HA       GLY  11   7.887 -12.030   5.026
   86   2HA   GLY  11          2HA       GLY  11   6.210 -11.643   4.563
   87    H    ASN  12           H        ASN  12   6.900 -10.437   2.613
   88    HA   ASN  12           HA       ASN  12   8.348  -7.865   3.185
   89   1HB   ASN  12          1HB       ASN  12   8.747  -9.624   0.779
   90   2HB   ASN  12          2HB       ASN  12   9.489  -8.054   1.070
   91   1HD2  ASN  12          1HD2      ASN  12   9.683  -9.179   4.152
   92   2HD2  ASN  12          2HD2      ASN  12  11.225  -9.996   4.022
   93    H    VAL  13           H        VAL  13   7.023  -6.312   2.841
   94    HA   VAL  13           HA       VAL  13   4.328  -6.704   1.816
   95    HB   VAL  13           HB       VAL  13   5.856  -4.256   2.692
   96   1HG1  VAL  13          1HG1      VAL  13   3.867  -2.963   2.484
   97   2HG1  VAL  13          2HG1      VAL  13   4.037  -3.713   0.926
   98   3HG1  VAL  13          3HG1      VAL  13   2.880  -4.388   2.069
   99   1HG2  VAL  13          1HG2      VAL  13   4.454  -4.358   4.656
  100   2HG2  VAL  13          2HG2      VAL  13   3.448  -5.649   3.962
  101   3HG2  VAL  13          3HG2      VAL  13   5.112  -5.982   4.435
  102    H    THR  14           H        THR  14   4.456  -7.279  -0.377
  103    HA   THR  14           HA       THR  14   6.348  -5.821  -2.126
  104    HB   THR  14           HB       THR  14   4.373  -8.054  -2.721
  105    HG1  THR  14           HG1      THR  14   6.102  -8.451  -1.115
  106   1HG2  THR  14          1HG2      THR  14   5.887  -8.470  -4.649
  107   2HG2  THR  14          2HG2      THR  14   5.127  -6.872  -4.770
  108   3HG2  THR  14          3HG2      THR  14   6.819  -7.017  -4.238
  109    H    PHE  15           H        PHE  15   5.623  -3.665  -2.406
  110    HA   PHE  15           HA       PHE  15   2.765  -3.338  -3.231
  111   1HB   PHE  15          1HB       PHE  15   2.728  -1.172  -2.355
  112   2HB   PHE  15          2HB       PHE  15   3.205  -2.296  -1.097
  113    HD1  PHE  15           HD1      PHE  15   5.538  -2.327  -0.238
  114    HD2  PHE  15           HD2      PHE  15   4.183   0.631  -3.073
  115    HE1  PHE  15           HE1      PHE  15   7.333  -0.797   0.494
  116    HE2  PHE  15           HE2      PHE  15   5.977   2.175  -2.297
  117    HZ   PHE  15           HZ       PHE  15   7.494   1.478  -0.474
  118    H    ASP  16           H        ASP  16   2.451  -2.886  -5.242
  119    HA   ASP  16           HA       ASP  16   4.526  -1.951  -7.055
  120   1HB   ASP  16          1HB       ASP  16   2.716  -3.490  -7.740
  121   2HB   ASP  16          2HB       ASP  16   1.517  -2.232  -7.407
  122    H    HIS  17           H        HIS  17   4.777   0.171  -7.752
  123    HA   HIS  17           HA       HIS  17   3.449   2.303  -6.126
  124   1HB   HIS  17          1HB       HIS  17   5.816   1.742  -5.501
  125   2HB   HIS  17          2HB       HIS  17   6.303   2.087  -7.148
  126    HD1  HIS  17           HND      HIS  17   7.379   4.335  -7.337
  127    HD2  HIS  17           HD       HIS  17   4.192   4.221  -4.600
  128    HE1  HIS  17           HE       HIS  17   6.983   6.747  -6.545
  129    H    LYS  18           H        LYS  18   3.212   1.028  -9.089
  130    HA   LYS  18           HA       LYS  18   3.039   3.656 -10.526
  131   1HB   LYS  18          1HB       LYS  18   4.609   3.306 -11.855
  132   2HB   LYS  18          2HB       LYS  18   5.116   1.947 -10.889
  133   1HG   LYS  18          1HG       LYS  18   3.005   1.675 -13.051
  134   2HG   LYS  18          2HG       LYS  18   4.705   1.698 -13.417
  135   1HD   LYS  18          1HD       LYS  18   5.219  -0.323 -12.453
  136   2HD   LYS  18          2HD       LYS  18   3.984  -0.167 -11.219
  137   1HE   LYS  18          1HE       LYS  18   2.216  -0.588 -13.000
  138   2HE   LYS  18          2HE       LYS  18   3.522  -0.887 -14.153
  139   1HZ   LYS  18          1HZ       LYS  18   4.263  -2.684 -12.697
  140   2HZ   LYS  18          2HZ       LYS  18   3.071  -2.366 -11.632
  141   3HZ   LYS  18          3HZ       LYS  18   2.681  -2.919 -13.125
  142    H    ALA  19           H        ALA  19   2.072   0.226 -10.521
  143    HA   ALA  19           HA       ALA  19  -0.298   0.388 -12.073
  144   1HB   ALA  19          1HB       ALA  19   0.147  -1.126  -9.498
  145   2HB   ALA  19          2HB       ALA  19  -1.110  -1.437 -10.708
  146   3HB   ALA  19          3HB       ALA  19   0.599  -1.700 -11.129
  147    H    HIS  20           H        HIS  20   0.329   0.988  -8.618
  148    HA   HIS  20           HA       HIS  20  -2.316   1.804  -7.873
  149   1HB   HIS  20          1HB       HIS  20   0.446   2.161  -6.644
  150   2HB   HIS  20          2HB       HIS  20  -1.018   2.830  -5.929
  151    HD1  HIS  20           HND      HIS  20   0.151  -0.748  -6.975
  152    HD2  HIS  20           HD       HIS  20  -2.292   1.359  -4.315
  153    HE1  HIS  20           HE       HIS  20  -0.987  -2.499  -5.487
  154    H    ALA  21           H        ALA  21   0.098   3.399  -9.742
  155    HA   ALA  21           HA       ALA  21  -0.902   6.130  -9.089
  156   1HB   ALA  21          1HB       ALA  21   1.565   5.703  -9.199
  157   2HB   ALA  21          2HB       ALA  21   1.385   5.333 -10.921
  158   3HB   ALA  21          3HB       ALA  21   0.954   6.941 -10.334
  159    H    GLU  22           H        GLU  22  -0.560   3.904 -11.840
  160    HA   GLU  22           HA       GLU  22  -1.689   5.726 -13.758
  161   1HB   GLU  22          1HB       GLU  22  -1.516   3.911 -15.352
  162   2HB   GLU  22          2HB       GLU  22  -0.054   3.979 -14.360
  163   1HG   GLU  22          1HG       GLU  22  -1.104   2.165 -12.925
  164   2HG   GLU  22          2HG       GLU  22  -2.325   1.965 -14.189
  165    H    LYS  23           H        LYS  23  -2.966   2.922 -11.925
  166    HA   LYS  23           HA       LYS  23  -5.567   2.859 -12.967
  167   1HB   LYS  23          1HB       LYS  23  -4.478   2.318 -10.176
  168   2HB   LYS  23          2HB       LYS  23  -6.095   1.835 -10.691
  169   1HG   LYS  23          1HG       LYS  23  -3.610   0.964 -12.250
  170   2HG   LYS  23          2HG       LYS  23  -4.115   0.122 -10.798
  171   1HD   LYS  23          1HD       LYS  23  -6.353   0.600 -12.660
  172   2HD   LYS  23          2HD       LYS  23  -5.009  -0.255 -13.433
  173   1HE   LYS  23          1HE       LYS  23  -4.992  -1.970 -11.650
  174   2HE   LYS  23          2HE       LYS  23  -6.203  -1.069 -10.726
  175   1HZ   LYS  23          1HZ       LYS  23  -6.671  -2.463 -13.270
  176   2HZ   LYS  23          2HZ       LYS  23  -7.176  -2.849 -11.741
  177   3HZ   LYS  23          3HZ       LYS  23  -7.786  -1.523 -12.469
  178    H    LEU  24           H        LEU  24  -4.326   4.725 -10.136
  179    HA   LEU  24           HA       LEU  24  -6.918   6.035  -9.760
  180   1HB   LEU  24          1HB       LEU  24  -4.196   6.201  -8.398
  181   2HB   LEU  24          2HB       LEU  24  -5.579   7.200  -7.967
  182    HG   LEU  24           HG       LEU  24  -5.144   5.297  -6.511
  183   1HD1  LEU  24          1HD1      LEU  24  -7.507   4.631  -6.224
  184   2HD1  LEU  24          2HD1      LEU  24  -7.369   6.361  -6.586
  185   3HD1  LEU  24          3HD1      LEU  24  -7.886   5.222  -7.850
  186   1HD2  LEU  24          1HD2      LEU  24  -4.505   3.582  -8.148
  187   2HD2  LEU  24          2HD2      LEU  24  -5.732   3.035  -7.005
  188   3HD2  LEU  24          3HD2      LEU  24  -6.213   3.454  -8.658
  189    H    GLY  25           H        GLY  25  -3.538   7.137 -10.378
  190   1HA   GLY  25          1HA       GLY  25  -3.632   9.160 -12.034
  191   2HA   GLY  25          2HA       GLY  25  -4.446   9.932 -10.654
  192    H    CYS  26           H        CYS  26  -3.335   9.885  -8.599
  193    HA   CYS  26           HA       CYS  26  -0.696   9.163  -8.022
  194   1HB   CYS  26          1HB       CYS  26  -0.211  10.927  -9.983
  195   2HB   CYS  26          2HB       CYS  26  -0.697  12.104  -8.791
  196    H    ASP  27           H        ASP  27  -2.968  11.677  -7.958
  197    HA   ASP  27           HA       ASP  27  -2.986  13.198  -5.680
  198   1HB   ASP  27          1HB       ASP  27  -5.427  13.173  -6.133
  199   2HB   ASP  27          2HB       ASP  27  -4.479  13.459  -7.593
  200    H    ALA  28           H        ALA  28  -4.283  10.007  -6.303
  201    HA   ALA  28           HA       ALA  28  -5.545   9.211  -4.086
  202   1HB   ALA  28          1HB       ALA  28  -5.264   7.787  -5.935
  203   2HB   ALA  28          2HB       ALA  28  -3.496   7.727  -5.763
  204   3HB   ALA  28          3HB       ALA  28  -4.544   6.903  -4.571
  205    H    CYS  29           H        CYS  29  -1.984   9.341  -4.323
  206    HA   CYS  29           HA       CYS  29  -1.806   8.883  -1.350
  207   1HB   CYS  29          1HB       CYS  29   0.139   8.008  -3.443
  208   2HB   CYS  29          2HB       CYS  29   0.264   7.730  -1.696
  209    H    HIS  30           H        HIS  30  -0.602  10.760  -4.184
  210    HA   HIS  30           HA       HIS  30   0.722  12.587  -2.232
  211   1HB   HIS  30          1HB       HIS  30   1.904  11.833  -4.910
  212   2HB   HIS  30          2HB       HIS  30   2.610  12.878  -3.691
  213    HD1  HIS  30           HND      HIS  30   4.070  11.614  -1.825
  214    HD2  HIS  30           HD       HIS  30   2.269   9.322  -4.820
  215    HE1  HIS  30           HE       HIS  30   5.493   9.463  -2.151
  216    H    GLU  31           H        GLU  31   0.327  14.671  -2.667
  217    HA   GLU  31           HA       GLU  31  -0.689  15.490  -5.330
  218   1HB   GLU  31          1HB       GLU  31  -2.127  17.160  -4.024
  219   2HB   GLU  31          2HB       GLU  31  -2.664  15.522  -4.360
  220   1HG   GLU  31          1HG       GLU  31  -2.986  15.079  -2.292
  221   2HG   GLU  31          2HG       GLU  31  -1.344  15.423  -1.769
  222    H    GLY  32           H        GLY  32  -0.316  17.477  -2.422
  223   1HA   GLY  32          1HA       GLY  32   0.961  19.591  -3.212
  224   2HA   GLY  32          2HA       GLY  32   1.412  18.828  -1.684
  225    H    THR  33           H        THR  33   3.066  16.868  -2.092
  226    HA   THR  33           HA       THR  33   4.723  17.019  -4.377
  227    HB   THR  33           HB       THR  33   5.623  19.056  -3.451
  228    HG1  THR  33           HG1      THR  33   7.770  18.398  -3.298
  229   1HG2  THR  33          1HG2      THR  33   5.036  18.713  -1.041
  230   2HG2  THR  33          2HG2      THR  33   6.339  17.511  -0.921
  231   3HG2  THR  33          3HG2      THR  33   6.718  19.201  -1.288
  232    HA   PRO  34           HA       PRO  34   5.593  13.062  -2.277
  233   1HB   PRO  34          1HB       PRO  34   6.792  11.726  -4.247
  234   2HB   PRO  34          2HB       PRO  34   5.070  12.171  -4.377
  235   1HG   PRO  34          1HG       PRO  34   7.422  13.575  -5.638
  236   2HG   PRO  34          2HG       PRO  34   5.847  13.142  -6.370
  237   1HD   PRO  34          1HD       PRO  34   6.456  15.649  -5.309
  238   2HD   PRO  34          2HD       PRO  34   4.799  14.977  -5.407
  239    H    ALA  35           H        ALA  35   7.286  12.593  -0.873
  240    HA   ALA  35           HA       ALA  35  10.065  12.788  -1.768
  241   1HB   ALA  35          1HB       ALA  35   9.678  15.097  -0.988
  242   2HB   ALA  35          2HB       ALA  35   9.058  14.484   0.562
  243   3HB   ALA  35          3HB       ALA  35  10.761  14.227   0.115
  244    H    LYS  36           H        LYS  36   9.045  10.559  -1.528
  245    HA   LYS  36           HA       LYS  36   8.514   8.647  -0.519
  246   1HB   LYS  36          1HB       LYS  36  10.474   9.578   1.620
  247   2HB   LYS  36          2HB       LYS  36   9.462   8.173   1.868
  248   1HG   LYS  36          1HG       LYS  36  10.447   7.505  -0.574
  249   2HG   LYS  36          2HG       LYS  36  11.784   8.471   0.043
  250   1HD   LYS  36          1HD       LYS  36  10.401   6.024   1.259
  251   2HD   LYS  36          2HD       LYS  36  11.965   6.070   0.448
  252   1HE   LYS  36          1HE       LYS  36  12.775   7.655   2.262
  253   2HE   LYS  36          2HE       LYS  36  11.253   7.400   3.124
  254   1HZ   LYS  36          1HZ       LYS  36  12.966   5.939   3.933
  255   2HZ   LYS  36          2HZ       LYS  36  11.761   5.060   3.234
  256   3HZ   LYS  36          3HZ       LYS  36  13.182   5.286   2.436
  257    H    ILE  37           H        ILE  37   7.503   7.675   1.431
  258    HA   ILE  37           HA       ILE  37   5.882   9.597   2.998
  259    HB   ILE  37           HB       ILE  37   4.911   6.828   2.116
  260   1HG1  ILE  37          1HG1      ILE  37   4.903   8.238   0.221
  261   2HG1  ILE  37          2HG1      ILE  37   3.345   7.663   0.778
  262   1HG2  ILE  37          1HG2      ILE  37   3.925   7.504   4.336
  263   2HG2  ILE  37          2HG2      ILE  37   3.563   9.096   3.687
  264   3HG2  ILE  37          3HG2      ILE  37   2.718   7.663   3.068
  265   1HD1  ILE  37          1HD1      ILE  37   3.205  10.004   0.008
  266   2HD1  ILE  37          2HD1      ILE  37   2.800   9.895   1.714
  267   3HD1  ILE  37          3HD1      ILE  37   4.400  10.498   1.223
  268    H    ALA  38           H        ALA  38   5.476   6.469   3.901
  269    HA   ALA  38           HA       ALA  38   7.635   5.319   5.140
  270   1HB   ALA  38          1HB       ALA  38   8.211   7.370   6.347
  271   2HB   ALA  38          2HB       ALA  38   6.496   7.630   6.754
  272   3HB   ALA  38          3HB       ALA  38   7.417   6.296   7.492
  273    H    ILE  39           H        ILE  39   5.569   4.069   4.130
  274    HA   ILE  39           HA       ILE  39   3.296   3.986   5.976
  275    HB   ILE  39           HB       ILE  39   3.966   2.356   3.534
  276   1HG1  ILE  39          1HG1      ILE  39   3.369   4.663   3.033
  277   2HG1  ILE  39          2HG1      ILE  39   2.099   3.546   2.541
  278   1HG2  ILE  39          1HG2      ILE  39   2.759   0.876   4.915
  279   2HG2  ILE  39          2HG2      ILE  39   1.655   2.144   5.485
  280   3HG2  ILE  39          3HG2      ILE  39   1.557   1.556   3.820
  281   1HD1  ILE  39          1HD1      ILE  39   1.034   5.456   3.469
  282   2HD1  ILE  39          2HD1      ILE  39   0.847   4.160   4.663
  283   3HD1  ILE  39          3HD1      ILE  39   2.051   5.447   4.912
  284    H    ASP  40           H        ASP  40   3.451   3.133   7.789
  285    HA   ASP  40           HA       ASP  40   5.379   0.972   8.513
  286   1HB   ASP  40          1HB       ASP  40   5.877   2.927   9.818
  287   2HB   ASP  40          2HB       ASP  40   4.157   3.350   9.946
  288    H    LYS  41           H        LYS  41   4.407  -0.194  10.418
  289    HA   LYS  41           HA       LYS  41   2.171  -1.804   9.752
  290   1HB   LYS  41          1HB       LYS  41   3.850  -2.396  11.437
  291   2HB   LYS  41          2HB       LYS  41   3.352  -1.044  12.449
  292   1HG   LYS  41          1HG       LYS  41   0.962  -2.565  11.958
  293   2HG   LYS  41          2HG       LYS  41   2.237  -3.739  12.229
  294   1HD   LYS  41          1HD       LYS  41   2.886  -2.612  14.323
  295   2HD   LYS  41          2HD       LYS  41   1.621  -1.387  14.060
  296   1HE   LYS  41          1HE       LYS  41  -0.130  -3.143  14.145
  297   2HE   LYS  41          2HE       LYS  41   1.109  -4.394  14.348
  298   1HZ   LYS  41          1HZ       LYS  41   0.568  -2.214  16.254
  299   2HZ   LYS  41          2HZ       LYS  41   0.114  -3.785  16.431
  300   3HZ   LYS  41          3HZ       LYS  41   1.710  -3.387  16.436
  301    H    LYS  42           H        LYS  42   2.365   1.216  11.760
  302    HA   LYS  42           HA       LYS  42  -0.386   1.125  12.525
  303   1HB   LYS  42          1HB       LYS  42   1.464   3.534  12.280
  304   2HB   LYS  42          2HB       LYS  42  -0.142   3.512  13.027
  305   1HG   LYS  42          1HG       LYS  42   0.779   1.558  14.502
  306   2HG   LYS  42          2HG       LYS  42   2.364   2.019  13.901
  307   1HD   LYS  42          1HD       LYS  42   2.156   3.094  15.961
  308   2HD   LYS  42          2HD       LYS  42   1.942   4.367  14.748
  309   1HE   LYS  42          1HE       LYS  42  -0.501   4.340  15.082
  310   2HE   LYS  42          2HE       LYS  42  -0.393   2.880  16.077
  311   1HZ   LYS  42          1HZ       LYS  42  -0.682   4.830  17.401
  312   2HZ   LYS  42          2HZ       LYS  42   0.781   4.155  17.726
  313   3HZ   LYS  42          3HZ       LYS  42   0.689   5.517  16.805
  314    H    SER  43           H        SER  43   1.003   3.411  10.031
  315    HA   SER  43           HA       SER  43  -1.429   4.219   9.006
  316   1HB   SER  43          1HB       SER  43   1.081   3.739   7.353
  317   2HB   SER  43          2HB       SER  43  -0.186   4.952   7.078
  318    HG   SER  43           HG       SER  43   0.455   5.944   9.017
  319    H    ALA  44           H        ALA  44   0.583   1.505   7.832
  320    HA   ALA  44           HA       ALA  44  -0.864   0.509   5.711
  321   1HB   ALA  44          1HB       ALA  44   1.325  -0.290   6.513
  322   2HB   ALA  44          2HB       ALA  44   0.549  -1.023   7.926
  323   3HB   ALA  44          3HB       ALA  44   0.133  -1.624   6.311
  324    H    HIS  45           H        HIS  45  -1.231  -0.451   9.153
  325    HA   HIS  45           HA       HIS  45  -3.770  -1.854   8.541
  326   1HB   HIS  45          1HB       HIS  45  -1.840  -1.928  10.884
  327   2HB   HIS  45          2HB       HIS  45  -3.434  -2.643  10.925
  328    HD1  HIS  45           HND      HIS  45  -3.870  -4.866   9.853
  329    HD2  HIS  45           HD       HIS  45  -0.029  -3.320   9.093
  330    HE1  HIS  45           HE       HIS  45  -2.527  -6.738   8.833
  331    H    LYS  46           H        LYS  46  -3.590   1.153   8.516
  332    HA   LYS  46           HA       LYS  46  -5.885   1.547  10.387
  333   1HB   LYS  46          1HB       LYS  46  -3.731   2.268  11.418
  334   2HB   LYS  46          2HB       LYS  46  -3.548   3.506  10.173
  335   1HG   LYS  46          1HG       LYS  46  -5.716   3.201  12.277
  336   2HG   LYS  46          2HG       LYS  46  -4.324   4.282  12.327
  337   1HD   LYS  46          1HD       LYS  46  -5.811   4.946   9.958
  338   2HD   LYS  46          2HD       LYS  46  -6.964   4.749  11.260
  339   1HE   LYS  46          1HE       LYS  46  -6.356   7.036  11.314
  340   2HE   LYS  46          2HE       LYS  46  -5.467   6.315  12.659
  341   1HZ   LYS  46          1HZ       LYS  46  -4.541   7.523  10.219
  342   2HZ   LYS  46          2HZ       LYS  46  -3.692   7.328  11.625
  343   3HZ   LYS  46          3HZ       LYS  46  -3.812   6.153  10.431
  344    H    ASP  47           H        ASP  47  -3.930   3.494   8.139
  345    HA   ASP  47           HA       ASP  47  -6.246   4.091   6.398
  346   1HB   ASP  47          1HB       ASP  47  -5.834   6.496   6.546
  347   2HB   ASP  47          2HB       ASP  47  -6.502   5.792   8.007
  348    H    ALA  48           H        ALA  48  -4.475   2.474   5.524
  349    HA   ALA  48           HA       ALA  48  -3.553   4.029   3.244
  350   1HB   ALA  48          1HB       ALA  48  -1.488   2.535   4.930
  351   2HB   ALA  48          2HB       ALA  48  -1.230   3.061   3.248
  352   3HB   ALA  48          3HB       ALA  48  -1.533   4.252   4.523
  353    H    CYS  49           H        CYS  49  -2.283   0.837   4.075
  354    HA   CYS  49           HA       CYS  49  -3.321  -0.123   1.573
  355   1HB   CYS  49          1HB       CYS  49  -2.179  -1.847   3.697
  356   2HB   CYS  49          2HB       CYS  49  -2.082  -2.085   1.967
  357    H    LYS  50           H        LYS  50  -4.022  -0.970   5.055
  358    HA   LYS  50           HA       LYS  50  -6.387  -2.510   4.221
  359   1HB   LYS  50          1HB       LYS  50  -5.329  -1.666   6.920
  360   2HB   LYS  50          2HB       LYS  50  -6.753  -2.669   6.747
  361   1HG   LYS  50          1HG       LYS  50  -4.176  -3.558   5.429
  362   2HG   LYS  50          2HG       LYS  50  -4.335  -3.694   7.156
  363   1HD   LYS  50          1HD       LYS  50  -4.874  -5.778   6.053
  364   2HD   LYS  50          2HD       LYS  50  -6.186  -5.197   7.062
  365   1HE   LYS  50          1HE       LYS  50  -6.143  -4.791   4.024
  366   2HE   LYS  50          2HE       LYS  50  -6.737  -6.270   4.773
  367   1HZ   LYS  50          1HZ       LYS  50  -8.511  -4.747   4.325
  368   2HZ   LYS  50          2HZ       LYS  50  -8.387  -5.040   5.936
  369   3HZ   LYS  50          3HZ       LYS  50  -7.861  -3.613   5.321
  370    H    THR  51           H        THR  51  -6.774  -0.237   2.996
  371    HA   THR  51           HA       THR  51  -9.195   0.754   4.307
  372    HB   THR  51           HB       THR  51  -6.880   2.621   3.631
  373    HG1  THR  51           HG1      THR  51  -7.757   1.462   5.848
  374   1HG2  THR  51          1HG2      THR  51  -8.443   4.450   4.269
  375   2HG2  THR  51          2HG2      THR  51  -8.908   3.679   2.747
  376   3HG2  THR  51          3HG2      THR  51  -9.791   3.296   4.246
  377    H    CYS  52           H        CYS  52  -7.020   1.567   1.501
  378    HA   CYS  52           HA       CYS  52  -9.105   2.109  -0.288
  379   1HB   CYS  52          1HB       CYS  52  -6.278   1.194  -0.545
  380   2HB   CYS  52          2HB       CYS  52  -7.338   1.024  -1.947
  381    H    HIS  53           H        HIS  53  -7.549  -1.086   0.276
  382    HA   HIS  53           HA       HIS  53  -9.159  -2.315  -1.778
  383   1HB   HIS  53          1HB       HIS  53  -7.723  -3.880   0.351
  384   2HB   HIS  53          2HB       HIS  53  -7.985  -4.324  -1.306
  385    HD1  HIS  53           HND      HIS  53  -5.629  -2.501   1.000
  386    HD2  HIS  53           HD       HIS  53  -6.139  -2.923  -3.163
  387    HE1  HIS  53           HE       HIS  53  -3.476  -1.894  -0.076
  388    H    LYS  54           H        LYS  54 -11.102  -1.160  -0.356
  389    HA   LYS  54           HA       LYS  54 -12.188  -2.554   1.883
  390   1HB   LYS  54          1HB       LYS  54 -13.554  -0.905  -0.297
  391   2HB   LYS  54          2HB       LYS  54 -14.387  -1.585   1.096
  392   1HG   LYS  54          1HG       LYS  54 -13.965   0.306   2.193
  393   2HG   LYS  54          2HG       LYS  54 -12.326  -0.294   2.355
  394   1HD   LYS  54          1HD       LYS  54 -12.079   1.918   1.542
  395   2HD   LYS  54          2HD       LYS  54 -11.733   0.856   0.203
  396   1HE   LYS  54          1HE       LYS  54 -13.034   2.620  -0.701
  397   2HE   LYS  54          2HE       LYS  54 -14.117   1.230  -0.651
  398   1HZ   LYS  54          1HZ       LYS  54 -15.179   3.205   0.152
  399   2HZ   LYS  54          2HZ       LYS  54 -15.042   2.138   1.394
  400   3HZ   LYS  54          3HZ       LYS  54 -14.031   3.436   1.305
  401    H    SER  55           H        SER  55 -13.042  -2.797  -1.582
  402    HA   SER  55           HA       SER  55 -14.117  -5.557  -1.125
  403   1HB   SER  55          1HB       SER  55 -15.295  -3.435  -2.963
  404   2HB   SER  55          2HB       SER  55 -15.953  -5.036  -2.585
  405    HG   SER  55           HG       SER  55 -16.980  -3.439  -1.326
  406    H    ASN  56           H        ASN  56 -11.490  -5.093  -1.850
  407    HA   ASN  56           HA       ASN  56 -11.411  -5.708  -4.786
  408   1HB   ASN  56          1HB       ASN  56  -9.234  -4.456  -3.074
  409   2HB   ASN  56          2HB       ASN  56  -9.106  -4.908  -4.772
  410   1HD2  ASN  56          1HD2      ASN  56  -8.457  -2.709  -5.316
  411   2HD2  ASN  56          2HD2      ASN  56  -9.672  -1.445  -5.322
  412    H    ASN  57           H        ASN  57 -10.376  -7.612  -5.249
  413    HA   ASN  57           HA       ASN  57  -9.377  -9.608  -5.007
  414   1HB   ASN  57          1HB       ASN  57  -7.725  -8.000  -3.659
  415   2HB   ASN  57          2HB       ASN  57  -8.238  -8.980  -2.279
  416   1HD2  ASN  57          1HD2      ASN  57  -5.629  -8.678  -3.676
  417   2HD2  ASN  57          2HD2      ASN  57  -5.135 -10.216  -4.307
  418    H    GLY  58           H        GLY  58  -9.126 -11.552  -3.276
  419   1HA   GLY  58          1HA       GLY  58 -11.894 -12.090  -2.392
  420   2HA   GLY  58          2HA       GLY  58 -10.564 -13.237  -2.612
  421    HA   PRO  59           HA       PRO  59 -11.079 -12.301   2.001
  422   1HB   PRO  59          1HB       PRO  59 -11.722 -14.862   2.786
  423   2HB   PRO  59          2HB       PRO  59 -12.940 -13.634   2.324
  424   1HG   PRO  59          1HG       PRO  59 -11.755 -15.808   0.580
  425   2HG   PRO  59          2HG       PRO  59 -13.483 -15.400   0.794
  426   1HD   PRO  59          1HD       PRO  59 -12.065 -14.478  -1.317
  427   2HD   PRO  59          2HD       PRO  59 -13.249 -13.412  -0.508
  428    H    THR  60           H        THR  60  -9.178 -12.500   3.118
  429    HA   THR  60           HA       THR  60  -7.016 -14.341   2.334
  430    HB   THR  60           HB       THR  60  -5.746 -12.023   2.018
  431    HG1  THR  60           HG1      THR  60  -8.254 -11.232   0.988
  432   1HG2  THR  60          1HG2      THR  60  -6.131 -12.007  -0.399
  433   2HG2  THR  60          2HG2      THR  60  -5.915 -13.659   0.210
  434   3HG2  THR  60          3HG2      THR  60  -7.534 -13.073  -0.215
  435    H    LYS  61           H        LYS  61  -7.636 -11.165   3.696
  436    HA   LYS  61           HA       LYS  61  -7.605 -10.247   5.778
  437   1HB   LYS  61          1HB       LYS  61  -7.436 -13.095   6.850
  438   2HB   LYS  61          2HB       LYS  61  -7.508 -11.653   7.848
  439   1HG   LYS  61          1HG       LYS  61  -9.689 -11.171   7.330
  440   2HG   LYS  61          2HG       LYS  61  -9.588 -11.845   5.700
  441   1HD   LYS  61          1HD       LYS  61  -9.579 -14.137   6.604
  442   2HD   LYS  61          2HD       LYS  61  -9.734 -13.492   8.255
  443   1HE   LYS  61          1HE       LYS  61 -11.896 -12.424   7.655
  444   2HE   LYS  61          2HE       LYS  61 -11.718 -12.954   5.975
  445   1HZ   LYS  61          1HZ       LYS  61 -12.045 -14.740   8.293
  446   2HZ   LYS  61          2HZ       LYS  61 -13.193 -14.371   7.177
  447   3HZ   LYS  61          3HZ       LYS  61 -11.864 -15.226   6.729
  448    H    CYS  62           H        CYS  62  -5.280 -12.933   5.725
  449    HA   CYS  62           HA       CYS  62  -3.117 -10.916   5.745
  450   1HB   CYS  62          1HB       CYS  62  -2.484 -13.598   6.804
  451   2HB   CYS  62          2HB       CYS  62  -1.619 -12.053   6.947
  452    H    GLY  63           H        GLY  63  -1.003 -12.380   5.076
  453   1HA   GLY  63          1HA       GLY  63   0.001 -13.560   3.350
  454   2HA   GLY  63          2HA       GLY  63  -1.582 -13.940   2.652
  455    H    GLY  64           H        GLY  64  -2.790 -11.798   2.116
  456   1HA   GLY  64          1HA       GLY  64  -2.508 -10.883  -0.233
  457   2HA   GLY  64          2HA       GLY  64  -2.869  -9.701   1.033
  458    H    CYS  65           H        CYS  65  -0.748  -8.937   2.194
  459    HA   CYS  65           HA       CYS  65   0.839  -7.669   0.034
  460   1HB   CYS  65          1HB       CYS  65   0.530  -6.944   2.932
  461   2HB   CYS  65          2HB       CYS  65   1.138  -5.904   1.630
  462    H    HIS  66           H        HIS  66   1.257  -9.337   3.150
  463    HA   HIS  66           HA       HIS  66   4.098  -8.919   3.296
  464   1HB   HIS  66          1HB       HIS  66   2.251 -10.856   4.770
  465   2HB   HIS  66          2HB       HIS  66   3.965 -10.701   5.087
  466    HD1  HIS  66           HND      HIS  66   4.749  -8.014   5.724
  467    HD2  HIS  66           HD       HIS  66   0.703  -9.120   6.177
  468    HE1  HIS  66           HE       HIS  66   3.668  -6.357   7.303
  469    H    ILE  67           H        ILE  67   2.095 -11.540   2.101
  470    HA   ILE  67           HA       ILE  67   2.498 -13.458   0.973
  471    HB   ILE  67           HB       ILE  67   4.773 -11.807  -0.171
  472   1HG1  ILE  67          1HG1      ILE  67   2.518 -10.711  -0.343
  473   2HG1  ILE  67          2HG1      ILE  67   3.286 -11.077  -1.878
  474   1HG2  ILE  67          1HG2      ILE  67   3.423 -14.331  -1.205
  475   2HG2  ILE  67          2HG2      ILE  67   4.403 -13.245  -2.216
  476   3HG2  ILE  67          3HG2      ILE  67   5.140 -14.087  -0.853
  477   1HD1  ILE  67          1HD1      ILE  67   0.882 -11.552  -1.922
  478   2HD1  ILE  67          2HD1      ILE  67   1.807 -13.025  -2.197
  479   3HD1  ILE  67          3HD1      ILE  67   1.051 -12.729  -0.614
  480    H    LYS  68           H        LYS  68   2.895 -14.703   2.884
  481    HA   LYS  68           HA       LYS  68   5.470 -15.908   2.841
  482   1HB   LYS  68          1HB       LYS  68   5.538 -13.937   4.601
  483   2HB   LYS  68          2HB       LYS  68   4.387 -14.910   5.516
  484   1HG   LYS  68          1HG       LYS  68   6.618 -15.297   6.343
  485   2HG   LYS  68          2HG       LYS  68   6.052 -16.783   5.575
  486   1HD   LYS  68          1HD       LYS  68   7.468 -14.887   3.752
  487   2HD   LYS  68          2HD       LYS  68   8.475 -15.469   5.080
  488   1HE   LYS  68          1HE       LYS  68   8.262 -17.751   4.447
  489   2HE   LYS  68          2HE       LYS  68   6.881 -17.457   3.398
  490   1HZ   LYS  68          1HZ       LYS  68   8.855 -17.770   2.127
  491   2HZ   LYS  68          2HZ       LYS  68   8.300 -16.237   1.916
  492   3HZ   LYS  68          3HZ       LYS  68   9.615 -16.513   2.870
  493    HHA  HEC  69           HCM      HEC  69   8.441   6.959  -1.922
  494    HHB  HEC  69           HDM      HEC  69   6.803  10.567  -6.953
  495    HHC  HEC  69           HAM      HEC  69   1.289   7.304  -7.312
  496    HHD  HEC  69           HBM      HEC  69   2.431   5.027  -1.491
  497   1HMA  HEC  69          HM81      HEC  69   8.919  11.572  -5.627
  498   2HMA  HEC  69          HM82      HEC  69  10.286  10.450  -5.527
  499   3HMA  HEC  69          HM83      HEC  69   9.171  10.335  -6.886
  500   1HAA  HEC  69          HP71      HEC  69  10.428   9.965  -3.307
  501   2HAA  HEC  69          HP72      HEC  69  10.024   8.624  -2.269
  502   1HBA  HEC  69          HP73      HEC  69  10.985   7.026  -3.784
  503   2HBA  HEC  69          HP74      HEC  69  11.188   8.261  -5.034
  504   1HMB  HEC  69          HM11      HEC  69   5.348  10.539  -9.707
  505   2HMB  HEC  69          HM12      HEC  69   3.987  11.548  -9.152
  506   3HMB  HEC  69          HM13      HEC  69   5.512  11.638  -8.319
  507    HAB  HEC  69          HT2A      HEC  69   1.271   8.732  -8.821
  508   1HBB  HEC  69          HT21      HEC  69   2.874  10.474 -10.682
  509   2HBB  HEC  69          HT22      HEC  69   2.889   8.702 -10.730
  510   3HBB  HEC  69          HT23      HEC  69   1.380   9.586 -10.971
  511   1HMC  HEC  69          HM31      HEC  69  -0.885   6.961  -5.894
  512   2HMC  HEC  69          HM32      HEC  69  -0.249   5.613  -6.859
  513   3HMC  HEC  69          HM33      HEC  69  -1.210   5.295  -5.419
  514    HAC  HEC  69          HT4A      HEC  69   0.339   4.937  -1.805
  515   1HBC  HEC  69          HT41      HEC  69  -1.025   3.187  -2.280
  516   2HBC  HEC  69          HT42      HEC  69  -1.434   3.753  -3.895
  517   3HBC  HEC  69          HT43      HEC  69   0.162   3.027  -3.580
  518   1HMD  HEC  69          HM51      HEC  69   4.250   3.572  -0.039
  519   2HMD  HEC  69          HM52      HEC  69   5.003   4.588   1.201
  520   3HMD  HEC  69          HM53      HEC  69   3.395   5.001   0.605
  521   1HAD  HEC  69          HP61      HEC  69   8.160   6.367   0.075
  522   2HAD  HEC  69          HP62      HEC  69   6.929   5.762   1.142
  523   1HBD  HEC  69          HP63      HEC  69   8.541   4.055   1.000
  524   2HBD  HEC  69          HP64      HEC  69   7.196   3.535  -0.034
  525    HHA  HEC  70           HCM      HEC  70  -4.060  -4.830  -6.286
  526    HHB  HEC  70           HDM      HEC  70  -0.121  -4.465  -1.247
  527    HHC  HEC  70           HAM      HEC  70  -2.081   1.467  -0.120
  528    HHD  HEC  70           HBM      HEC  70  -6.299   0.938  -4.885
  529   1HMA  HEC  70          HM81      HEC  70   0.634  -6.145  -2.828
  530   2HMA  HEC  70          HM82      HEC  70  -0.685  -6.969  -1.956
  531   3HMA  HEC  70          HM83      HEC  70  -0.298  -7.414  -3.625
  532   1HAA  HEC  70          HP71      HEC  70  -2.846  -6.621  -6.295
  533   2HAA  HEC  70          HP72      HEC  70  -1.311  -7.173  -5.679
  534   1HBA  HEC  70          HP73      HEC  70  -2.492  -8.286  -3.778
  535   2HBA  HEC  70          HP74      HEC  70  -4.024  -7.715  -4.450
  536   1HMB  HEC  70          HM11      HEC  70   1.401  -2.239   1.340
  537   2HMB  HEC  70          HM12      HEC  70   0.227  -3.561   1.284
  538   3HMB  HEC  70          HM13      HEC  70   1.480  -3.427   0.034
  539    HAB  HEC  70          HT2A      HEC  70  -0.654   1.075   1.256
  540   1HBB  HEC  70          HT21      HEC  70   2.070  -0.161   1.457
  541   2HBB  HEC  70          HT22      HEC  70   1.595   0.775   0.029
  542   3HBB  HEC  70          HT23      HEC  70   1.545   1.516   1.622
  543   1HMC  HEC  70          HM31      HEC  70  -4.175   3.106   0.141
  544   2HMC  HEC  70          HM32      HEC  70  -2.772   3.648  -0.812
  545   3HMC  HEC  70          HM33      HEC  70  -4.381   4.248  -1.188
  546    HAC  HEC  70          HT4A      HEC  70  -6.885   2.552  -3.661
  547   1HBC  HEC  70          HT41      HEC  70  -6.638   4.928  -3.920
  548   2HBC  HEC  70          HT42      HEC  70  -5.009   4.882  -3.209
  549   3HBC  HEC  70          HT43      HEC  70  -5.342   4.011  -4.722
  550   1HMD  HEC  70          HM51      HEC  70  -6.451   0.544  -7.246
  551   2HMD  HEC  70          HM52      HEC  70  -7.209  -0.889  -7.979
  552   3HMD  HEC  70          HM53      HEC  70  -7.827  -0.238  -6.446
  553   1HAD  HEC  70          HP61      HEC  70  -5.716  -2.557  -8.688
  554   2HAD  HEC  70          HP62      HEC  70  -5.122  -4.072  -8.061
  555   1HBD  HEC  70          HP63      HEC  70  -7.296  -4.694  -7.229
  556   2HBD  HEC  70          HP64      HEC  70  -7.956  -3.090  -7.564
  557    HHA  HEC  71           HCM      HEC  71   3.907  -3.841   9.335
  558    HHB  HEC  71           HDM      HEC  71   0.828  -8.945  11.711
  559    HHC  HEC  71           HAM      HEC  71  -2.769  -9.101   6.461
  560    HHD  HEC  71           HBM      HEC  71   0.292  -4.114   4.087
  561   1HMA  HEC  71          HM81      HEC  71   2.972  -6.534  13.721
  562   2HMA  HEC  71          HM82      HEC  71   1.647  -7.661  13.431
  563   3HMA  HEC  71          HM83      HEC  71   3.337  -8.162  13.181
  564   1HAA  HEC  71          HP71      HEC  71   4.865  -4.367  11.163
  565   2HAA  HEC  71          HP72      HEC  71   4.384  -4.951  12.741
  566   1HBA  HEC  71          HP73      HEC  71   5.883  -6.651  10.717
  567   2HBA  HEC  71          HP74      HEC  71   6.701  -5.519  11.796
  568   1HMB  HEC  71          HM11      HEC  71   0.005 -11.205  11.306
  569   2HMB  HEC  71          HM12      HEC  71  -1.412 -10.395  12.022
  570   3HMB  HEC  71          HM13      HEC  71  -1.620 -11.733  10.867
  571    HAB  HEC  71          HT2A      HEC  71  -3.813 -10.087   8.003
  572   1HBB  HEC  71          HT21      HEC  71  -5.143 -10.535   9.893
  573   2HBB  HEC  71          HT22      HEC  71  -3.734 -10.620  10.961
  574   3HBB  HEC  71          HT23      HEC  71  -4.175  -9.079  10.190
  575   1HMC  HEC  71          HM31      HEC  71  -2.628  -9.280   4.197
  576   2HMC  HEC  71          HM32      HEC  71  -4.002  -8.172   4.373
  577   3HMC  HEC  71          HM33      HEC  71  -2.963  -8.099   2.922
  578    HAC  HEC  71          HT4A      HEC  71  -1.448  -4.394   2.951
  579   1HBC  HEC  71          HT41      HEC  71  -3.811  -4.693   3.580
  580   2HBC  HEC  71          HT42      HEC  71  -3.524  -4.526   1.840
  581   3HBC  HEC  71          HT43      HEC  71  -3.894  -6.112   2.517
  582   1HMD  HEC  71          HM51      HEC  71   3.373  -2.014   4.483
  583   2HMD  HEC  71          HM52      HEC  71   2.040  -2.868   3.686
  584   3HMD  HEC  71          HM53      HEC  71   1.714  -1.433   4.645
  585   1HAD  HEC  71          HP61      HEC  71   4.051  -1.302   6.556
  586   2HAD  HEC  71          HP62      HEC  71   4.005  -1.857   8.212
  587   1HBD  HEC  71          HP63      HEC  71   5.326  -3.943   7.051
  588   2HBD  HEC  71          HP64      HEC  71   5.906  -2.572   6.095
  Start of MODEL   25
    1   1H    ALA   1          1H        ALA   1  10.766   1.036  -6.346
    2   2H    ALA   1          2H        ALA   1  11.975   2.144  -6.072
    3   3H    ALA   1          3H        ALA   1  10.381   2.623  -6.188
    4    HA   ALA   1           HA       ALA   1  11.631   3.149  -8.179
    5   1HB   ALA   1          1HB       ALA   1  13.057   1.102  -8.138
    6   2HB   ALA   1          2HB       ALA   1  11.633   0.107  -8.487
    7   3HB   ALA   1          3HB       ALA   1  12.215   1.291  -9.678
    8    H    ASP   2           H        ASP   2  10.232   1.046 -10.158
    9    HA   ASP   2           HA       ASP   2   7.541   1.955 -10.139
   10   1HB   ASP   2          1HB       ASP   2   7.423   0.079 -11.858
   11   2HB   ASP   2          2HB       ASP   2   8.779   1.170 -12.197
   12    H    VAL   3           H        VAL   3   9.417  -0.619  -8.668
   13    HA   VAL   3           HA       VAL   3   7.022  -1.300  -7.008
   14    HB   VAL   3           HB       VAL   3   7.562  -3.168  -8.457
   15   1HG1  VAL   3          1HG1      VAL   3  10.392  -3.063  -7.322
   16   2HG1  VAL   3          2HG1      VAL   3   9.727  -4.354  -8.337
   17   3HG1  VAL   3          3HG1      VAL   3   9.914  -2.731  -9.002
   18   1HG2  VAL   3          1HG2      VAL   3   7.836  -4.922  -6.839
   19   2HG2  VAL   3          2HG2      VAL   3   8.583  -3.826  -5.668
   20   3HG2  VAL   3          3HG2      VAL   3   6.867  -3.637  -6.103
   21    H    VAL   4           H        VAL   4   7.497  -1.623  -4.734
   22    HA   VAL   4           HA       VAL   4  10.301  -1.261  -3.850
   23    HB   VAL   4           HB       VAL   4   7.867   0.140  -2.709
   24   1HG1  VAL   4          1HG1      VAL   4   9.136  -0.691  -0.756
   25   2HG1  VAL   4          2HG1      VAL   4  10.660  -0.153  -1.489
   26   3HG1  VAL   4          3HG1      VAL   4   9.462   1.025  -0.935
   27   1HG2  VAL   4          1HG2      VAL   4   8.941   1.396  -4.496
   28   2HG2  VAL   4          2HG2      VAL   4   9.234   2.174  -2.933
   29   3HG2  VAL   4          3HG2      VAL   4  10.524   1.210  -3.685
   30    H    THR   5           H        THR   5  10.485  -2.268  -1.614
   31    HA   THR   5           HA       THR   5   8.084  -3.535  -0.771
   32    HB   THR   5           HB       THR   5   9.218  -5.396  -2.049
   33    HG1  THR   5           HG1      THR   5   8.264  -5.451   0.261
   34   1HG2  THR   5          1HG2      THR   5  11.587  -4.697  -1.798
   35   2HG2  THR   5          2HG2      THR   5  11.519  -5.108  -0.070
   36   3HG2  THR   5          3HG2      THR   5  11.319  -6.375  -1.288
   37    H    TYR   6           H        TYR   6   7.847  -3.691   1.370
   38    HA   TYR   6           HA       TYR   6   9.958  -2.503   3.119
   39   1HB   TYR   6          1HB       TYR   6   7.152  -3.397   3.823
   40   2HB   TYR   6          2HB       TYR   6   8.280  -2.530   4.852
   41    HD1  TYR   6           HD1      TYR   6   5.486  -2.206   2.726
   42    HD2  TYR   6           HD2      TYR   6   9.147  -0.188   3.759
   43    HE1  TYR   6           HE1      TYR   6   4.500  -0.066   2.020
   44    HE2  TYR   6           HE2      TYR   6   8.185   1.944   2.931
   45    HH   TYR   6           HH       TYR   6   4.916   2.101   1.586
   46    H    GLU   7           H        GLU   7  11.485  -4.205   3.188
   47    HA   GLU   7           HA       GLU   7  10.718  -6.912   3.841
   48   1HB   GLU   7          1HB       GLU   7  13.310  -5.503   4.341
   49   2HB   GLU   7          2HB       GLU   7  13.040  -7.243   4.423
   50   1HG   GLU   7          1HG       GLU   7  12.364  -7.167   1.967
   51   2HG   GLU   7          2HG       GLU   7  12.912  -5.479   1.934
   52    H    ASN   8           H        ASN   8  10.341  -7.770   5.843
   53    HA   ASN   8           HA       ASN   8  10.698  -6.290   8.350
   54   1HB   ASN   8          1HB       ASN   8   8.279  -6.340   8.824
   55   2HB   ASN   8          2HB       ASN   8   8.566  -5.403   7.352
   56   1HD2  ASN   8          1HD2      ASN   8   7.972  -6.335   5.286
   57   2HD2  ASN   8          2HD2      ASN   8   6.946  -7.759   5.210
   58    H    LYS   9           H        LYS   9   9.730  -7.784  10.157
   59    HA   LYS   9           HA       LYS   9  11.115 -10.256   9.827
   60   1HB   LYS   9          1HB       LYS   9  10.941  -9.025  11.967
   61   2HB   LYS   9          2HB       LYS   9   9.207  -9.318  11.996
   62   1HG   LYS   9          1HG       LYS   9  10.231 -10.852  13.514
   63   2HG   LYS   9          2HG       LYS   9   9.593 -11.766  12.162
   64   1HD   LYS   9          1HD       LYS   9  11.704 -12.684  12.775
   65   2HD   LYS   9          2HD       LYS   9  11.899 -11.934  11.189
   66   1HE   LYS   9          1HE       LYS   9  13.028  -9.991  12.188
   67   2HE   LYS   9          2HE       LYS   9  12.621 -10.539  13.824
   68   1HZ   LYS   9          1HZ       LYS   9  14.060 -12.423  13.493
   69   2HZ   LYS   9          2HZ       LYS   9  14.443 -11.922  11.971
   70   3HZ   LYS   9          3HZ       LYS   9  14.881 -11.019  13.272
   71    H    LYS  10           H        LYS  10   7.632  -9.443   9.679
   72    HA   LYS  10           HA       LYS  10   6.828 -12.210  10.026
   73   1HB   LYS  10          1HB       LYS  10   4.810 -11.471  10.402
   74   2HB   LYS  10          2HB       LYS  10   5.635  -9.956  10.614
   75   1HG   LYS  10          1HG       LYS  10   3.737  -9.457   9.394
   76   2HG   LYS  10          2HG       LYS  10   5.038  -9.315   8.249
   77   1HD   LYS  10          1HD       LYS  10   2.796 -10.430   7.601
   78   2HD   LYS  10          2HD       LYS  10   4.281 -11.171   7.003
   79   1HE   LYS  10          1HE       LYS  10   4.130 -12.952   8.665
   80   2HE   LYS  10          2HE       LYS  10   2.799 -12.146   9.485
   81   1HZ   LYS  10          1HZ       LYS  10   1.453 -12.554   7.516
   82   2HZ   LYS  10          2HZ       LYS  10   2.737 -13.122   6.685
   83   3HZ   LYS  10          3HZ       LYS  10   2.169 -13.989   7.915
   84    H    GLY  11           H        GLY  11   7.284 -10.085   7.217
   85   1HA   GLY  11          1HA       GLY  11   8.024 -12.040   5.402
   86   2HA   GLY  11          2HA       GLY  11   6.248 -11.983   5.292
   87    H    ASN  12           H        ASN  12   8.951 -10.710   3.933
   88    HA   ASN  12           HA       ASN  12   8.920  -8.037   3.562
   89   1HB   ASN  12          1HB       ASN  12   8.932  -9.964   1.220
   90   2HB   ASN  12          2HB       ASN  12   9.615  -8.341   1.274
   91   1HD2  ASN  12          1HD2      ASN  12  10.684  -9.076   4.179
   92   2HD2  ASN  12          2HD2      ASN  12  12.164  -9.898   3.724
   93    H    VAL  13           H        VAL  13   7.354  -6.516   3.072
   94    HA   VAL  13           HA       VAL  13   4.845  -7.390   1.701
   95    HB   VAL  13           HB       VAL  13   5.553  -4.745   3.032
   96   1HG1  VAL  13          1HG1      VAL  13   2.955  -4.522   2.645
   97   2HG1  VAL  13          2HG1      VAL  13   4.039  -4.170   1.290
   98   3HG1  VAL  13          3HG1      VAL  13   3.207  -5.731   1.383
   99   1HG2  VAL  13          1HG2      VAL  13   3.574  -6.917   3.770
  100   2HG2  VAL  13          2HG2      VAL  13   5.147  -6.641   4.577
  101   3HG2  VAL  13          3HG2      VAL  13   3.886  -5.416   4.668
  102    H    THR  14           H        THR  14   5.345  -7.597  -0.441
  103    HA   THR  14           HA       THR  14   6.958  -5.607  -1.857
  104    HB   THR  14           HB       THR  14   5.088  -7.744  -2.959
  105    HG1  THR  14           HG1      THR  14   7.656  -7.851  -1.848
  106   1HG2  THR  14          1HG2      THR  14   7.533  -6.328  -4.132
  107   2HG2  THR  14          2HG2      THR  14   6.644  -7.663  -4.893
  108   3HG2  THR  14          3HG2      THR  14   5.844  -6.104  -4.645
  109    H    PHE  15           H        PHE  15   6.153  -3.795  -2.954
  110    HA   PHE  15           HA       PHE  15   3.300  -3.799  -3.581
  111   1HB   PHE  15          1HB       PHE  15   2.811  -1.619  -2.745
  112   2HB   PHE  15          2HB       PHE  15   3.260  -2.713  -1.441
  113    HD1  PHE  15           HD1      PHE  15   5.613  -2.567  -0.453
  114    HD2  PHE  15           HD2      PHE  15   3.959   0.442  -3.069
  115    HE1  PHE  15           HE1      PHE  15   7.211  -0.901   0.435
  116    HE2  PHE  15           HE2      PHE  15   5.520   2.118  -2.120
  117    HZ   PHE  15           HZ       PHE  15   7.078   1.454  -0.291
  118    H    ASP  16           H        ASP  16   3.405  -3.727  -5.676
  119    HA   ASP  16           HA       ASP  16   4.435  -2.192  -7.602
  120   1HB   ASP  16          1HB       ASP  16   1.636  -2.464  -6.450
  121   2HB   ASP  16          2HB       ASP  16   1.958  -1.701  -8.008
  122    H    HIS  17           H        HIS  17   5.062  -0.132  -7.773
  123    HA   HIS  17           HA       HIS  17   3.777   2.004  -6.123
  124   1HB   HIS  17          1HB       HIS  17   6.241   1.704  -5.782
  125   2HB   HIS  17          2HB       HIS  17   6.503   1.963  -7.490
  126    HD1  HIS  17           HND      HIS  17   7.421   4.305  -7.814
  127    HD2  HIS  17           HD       HIS  17   4.411   4.018  -4.892
  128    HE1  HIS  17           HE       HIS  17   6.835   6.723  -7.066
  129    H    LYS  18           H        LYS  18   5.448   1.614  -9.259
  130    HA   LYS  18           HA       LYS  18   4.177   3.751 -10.611
  131   1HB   LYS  18          1HB       LYS  18   6.183   2.968 -11.489
  132   2HB   LYS  18          2HB       LYS  18   5.637   1.266 -11.478
  133   1HG   LYS  18          1HG       LYS  18   4.244   1.576 -13.338
  134   2HG   LYS  18          2HG       LYS  18   4.386   3.355 -13.242
  135   1HD   LYS  18          1HD       LYS  18   6.725   3.234 -13.923
  136   2HD   LYS  18          2HD       LYS  18   6.720   1.472 -13.749
  137   1HE   LYS  18          1HE       LYS  18   6.595   2.234 -16.150
  138   2HE   LYS  18          2HE       LYS  18   5.295   1.145 -15.642
  139   1HZ   LYS  18          1HZ       LYS  18   3.837   2.973 -15.416
  140   2HZ   LYS  18          2HZ       LYS  18   4.990   4.072 -15.828
  141   3HZ   LYS  18          3HZ       LYS  18   4.430   2.961 -16.919
  142    H    ALA  19           H        ALA  19   3.458   0.235 -10.732
  143    HA   ALA  19           HA       ALA  19   1.252   0.303 -12.442
  144   1HB   ALA  19          1HB       ALA  19   2.234  -1.769 -11.657
  145   2HB   ALA  19          2HB       ALA  19   1.739  -1.354 -10.006
  146   3HB   ALA  19          3HB       ALA  19   0.502  -1.741 -11.216
  147    H    HIS  20           H        HIS  20   1.104   0.536  -8.811
  148    HA   HIS  20           HA       HIS  20  -1.692   1.132  -8.627
  149   1HB   HIS  20          1HB       HIS  20   0.708   1.707  -6.863
  150   2HB   HIS  20          2HB       HIS  20  -0.841   2.450  -6.529
  151    HD1  HIS  20           HND      HIS  20   0.098  -1.215  -7.369
  152    HD2  HIS  20           HD       HIS  20  -2.094   1.092  -4.620
  153    HE1  HIS  20           HE       HIS  20  -0.919  -2.819  -5.733
  154    H    ALA  21           H        ALA  21   1.181   3.068  -9.296
  155    HA   ALA  21           HA       ALA  21  -0.008   5.632  -8.983
  156   1HB   ALA  21          1HB       ALA  21   2.483   5.101  -9.145
  157   2HB   ALA  21          2HB       ALA  21   2.267   5.130 -10.919
  158   3HB   ALA  21          3HB       ALA  21   1.884   6.528  -9.970
  159    H    GLU  22           H        GLU  22   0.305   3.673 -11.899
  160    HA   GLU  22           HA       GLU  22  -1.065   5.679 -13.541
  161   1HB   GLU  22          1HB       GLU  22  -0.841   4.069 -15.380
  162   2HB   GLU  22          2HB       GLU  22   0.677   4.503 -14.579
  163   1HG   GLU  22          1HG       GLU  22   0.416   2.261 -13.306
  164   2HG   GLU  22          2HG       GLU  22  -0.803   1.859 -14.519
  165    H    LYS  23           H        LYS  23  -1.904   2.431 -12.213
  166    HA   LYS  23           HA       LYS  23  -4.521   2.200 -13.100
  167   1HB   LYS  23          1HB       LYS  23  -3.162   1.575 -10.451
  168   2HB   LYS  23          2HB       LYS  23  -4.770   0.985 -10.841
  169   1HG   LYS  23          1HG       LYS  23  -2.372   0.426 -12.682
  170   2HG   LYS  23          2HG       LYS  23  -2.733  -0.546 -11.227
  171   1HD   LYS  23          1HD       LYS  23  -5.053  -0.826 -12.093
  172   2HD   LYS  23          2HD       LYS  23  -4.535  -0.051 -13.615
  173   1HE   LYS  23          1HE       LYS  23  -3.097  -1.894 -14.166
  174   2HE   LYS  23          2HE       LYS  23  -3.020  -2.441 -12.480
  175   1HZ   LYS  23          1HZ       LYS  23  -4.397  -3.893 -13.735
  176   2HZ   LYS  23          2HZ       LYS  23  -5.224  -3.146 -12.549
  177   3HZ   LYS  23          3HZ       LYS  23  -5.447  -2.665 -14.111
  178    H    LEU  24           H        LEU  24  -3.312   4.049 -10.251
  179    HA   LEU  24           HA       LEU  24  -6.117   4.790  -9.611
  180   1HB   LEU  24          1HB       LEU  24  -3.636   4.929  -7.888
  181   2HB   LEU  24          2HB       LEU  24  -5.318   5.053  -7.374
  182    HG   LEU  24           HG       LEU  24  -4.125   2.523  -8.621
  183   1HD1  LEU  24          1HD1      LEU  24  -4.091   1.654  -6.314
  184   2HD1  LEU  24          2HD1      LEU  24  -2.949   2.970  -6.622
  185   3HD1  LEU  24          3HD1      LEU  24  -4.407   3.305  -5.717
  186   1HD2  LEU  24          1HD2      LEU  24  -6.484   2.539  -8.951
  187   2HD2  LEU  24          2HD2      LEU  24  -6.144   1.470  -7.585
  188   3HD2  LEU  24          3HD2      LEU  24  -6.795   3.103  -7.304
  189    H    GLY  25           H        GLY  25  -2.811   6.322  -9.955
  190   1HA   GLY  25          1HA       GLY  25  -2.856   8.661 -10.826
  191   2HA   GLY  25          2HA       GLY  25  -3.999   8.975  -9.491
  192    H    CYS  26           H        CYS  26  -1.831  10.306  -9.105
  193    HA   CYS  26           HA       CYS  26   0.037   8.801  -7.324
  194   1HB   CYS  26          1HB       CYS  26  -0.108  11.783  -7.736
  195   2HB   CYS  26          2HB       CYS  26   1.203  10.835  -7.019
  196    H    ASP  27           H        ASP  27  -2.645  10.988  -7.450
  197    HA   ASP  27           HA       ASP  27  -2.557  12.183  -4.918
  198   1HB   ASP  27          1HB       ASP  27  -5.104  11.654  -6.503
  199   2HB   ASP  27          2HB       ASP  27  -4.687  13.055  -5.513
  200    H    ALA  28           H        ALA  28  -4.083   9.415  -6.167
  201    HA   ALA  28           HA       ALA  28  -5.582   7.945  -4.524
  202   1HB   ALA  28          1HB       ALA  28  -4.546   7.228  -6.625
  203   2HB   ALA  28          2HB       ALA  28  -2.947   7.268  -5.902
  204   3HB   ALA  28          3HB       ALA  28  -4.128   6.047  -5.350
  205    H    CYS  29           H        CYS  29  -2.088   8.479  -4.014
  206    HA   CYS  29           HA       CYS  29  -2.383   7.664  -1.131
  207   1HB   CYS  29          1HB       CYS  29   0.048   7.311  -2.882
  208   2HB   CYS  29          2HB       CYS  29  -0.207   6.709  -1.229
  209    H    HIS  30           H        HIS  30  -0.634   9.690  -3.506
  210    HA   HIS  30           HA       HIS  30   0.821  11.119  -1.388
  211   1HB   HIS  30          1HB       HIS  30   0.842  11.202  -4.419
  212   2HB   HIS  30          2HB       HIS  30   1.795  12.270  -3.405
  213    HD1  HIS  30           HND      HIS  30   3.578  11.003  -1.723
  214    HD2  HIS  30           HD       HIS  30   2.001   8.901  -4.979
  215    HE1  HIS  30           HE       HIS  30   5.276   9.114  -2.355
  216    H    GLU  31           H        GLU  31  -1.195  11.877  -0.501
  217    HA   GLU  31           HA       GLU  31  -2.985  13.595  -1.734
  218   1HB   GLU  31          1HB       GLU  31  -2.114  13.298   1.128
  219   2HB   GLU  31          2HB       GLU  31  -3.237  14.603   0.686
  220   1HG   GLU  31          1HG       GLU  31  -4.807  13.120  -0.294
  221   2HG   GLU  31          2HG       GLU  31  -3.654  11.805  -0.348
  222    H    GLY  32           H        GLY  32  -2.387  14.988  -3.030
  223   1HA   GLY  32          1HA       GLY  32  -1.868  17.096  -3.864
  224   2HA   GLY  32          2HA       GLY  32  -1.790  17.652  -2.185
  225    H    THR  33           H        THR  33   0.181  15.324  -4.023
  226    HA   THR  33           HA       THR  33   2.069  15.868  -5.279
  227    HB   THR  33           HB       THR  33   3.025  17.779  -3.118
  228    HG1  THR  33           HG1      THR  33   1.356  18.765  -4.083
  229   1HG2  THR  33          1HG2      THR  33   4.000  17.358  -5.968
  230   2HG2  THR  33          2HG2      THR  33   4.594  18.553  -4.808
  231   3HG2  THR  33          3HG2      THR  33   4.860  16.835  -4.493
  232    HA   PRO  34           HA       PRO  34   3.969  12.725  -2.722
  233   1HB   PRO  34          1HB       PRO  34   5.873  11.717  -4.363
  234   2HB   PRO  34          2HB       PRO  34   4.141  11.497  -4.728
  235   1HG   PRO  34          1HG       PRO  34   5.947  13.606  -5.812
  236   2HG   PRO  34          2HG       PRO  34   4.832  12.499  -6.691
  237   1HD   PRO  34          1HD       PRO  34   4.105  15.042  -6.078
  238   2HD   PRO  34          2HD       PRO  34   2.926  13.701  -5.991
  239    H    ALA  35           H        ALA  35   5.711  12.434  -1.357
  240    HA   ALA  35           HA       ALA  35   8.272  13.720  -1.773
  241   1HB   ALA  35          1HB       ALA  35   7.016  15.640  -0.843
  242   2HB   ALA  35          2HB       ALA  35   6.467  14.638   0.517
  243   3HB   ALA  35          3HB       ALA  35   8.191  15.032   0.338
  244    H    LYS  36           H        LYS  36   7.824  11.187  -1.867
  245    HA   LYS  36           HA       LYS  36   7.949   9.102  -1.024
  246   1HB   LYS  36          1HB       LYS  36   8.785  10.205   1.699
  247   2HB   LYS  36          2HB       LYS  36   8.907   8.568   1.110
  248   1HG   LYS  36          1HG       LYS  36  10.342   9.803  -0.856
  249   2HG   LYS  36          2HG       LYS  36  10.540  11.008   0.405
  250   1HD   LYS  36          1HD       LYS  36  12.399   9.413   0.319
  251   2HD   LYS  36          2HD       LYS  36  11.559   9.309   1.881
  252   1HE   LYS  36          1HE       LYS  36  11.003   7.117   1.538
  253   2HE   LYS  36          2HE       LYS  36  10.367   7.467  -0.079
  254   1HZ   LYS  36          1HZ       LYS  36  12.024   5.954  -0.295
  255   2HZ   LYS  36          2HZ       LYS  36  12.499   7.363  -0.986
  256   3HZ   LYS  36          3HZ       LYS  36  13.169   6.889   0.462
  257    H    ILE  37           H        ILE  37   6.914   7.811   1.037
  258    HA   ILE  37           HA       ILE  37   4.903   9.420   2.399
  259    HB   ILE  37           HB       ILE  37   3.994   6.668   1.546
  260   1HG1  ILE  37          1HG1      ILE  37   3.454   9.250   0.061
  261   2HG1  ILE  37          2HG1      ILE  37   4.303   7.797  -0.535
  262   1HG2  ILE  37          1HG2      ILE  37   1.811   7.543   2.227
  263   2HG2  ILE  37          2HG2      ILE  37   2.968   7.873   3.519
  264   3HG2  ILE  37          3HG2      ILE  37   2.481   9.172   2.417
  265   1HD1  ILE  37          1HD1      ILE  37   2.118   7.766  -1.468
  266   2HD1  ILE  37          2HD1      ILE  37   2.116   6.539  -0.184
  267   3HD1  ILE  37          3HD1      ILE  37   1.349   8.124   0.082
  268    H    ALA  38           H        ALA  38   6.267   6.232   2.032
  269    HA   ALA  38           HA       ALA  38   7.320   4.763   3.394
  270   1HB   ALA  38          1HB       ALA  38   8.700   6.655   4.079
  271   2HB   ALA  38          2HB       ALA  38   7.586   7.014   5.419
  272   3HB   ALA  38          3HB       ALA  38   8.463   5.474   5.388
  273    H    ILE  39           H        ILE  39   5.425   3.543   3.415
  274    HA   ILE  39           HA       ILE  39   3.467   4.023   5.593
  275    HB   ILE  39           HB       ILE  39   3.334   2.462   3.018
  276   1HG1  ILE  39          1HG1      ILE  39   3.111   4.861   2.710
  277   2HG1  ILE  39          2HG1      ILE  39   1.552   4.069   2.555
  278   1HG2  ILE  39          1HG2      ILE  39   0.873   2.207   3.711
  279   2HG2  ILE  39          2HG2      ILE  39   2.059   1.126   4.425
  280   3HG2  ILE  39          3HG2      ILE  39   1.441   2.506   5.366
  281   1HD1  ILE  39          1HD1      ILE  39   1.077   6.013   3.778
  282   2HD1  ILE  39          2HD1      ILE  39   1.116   4.756   5.013
  283   3HD1  ILE  39          3HD1      ILE  39   2.504   5.845   4.807
  284    H    ASP  40           H        ASP  40   4.305   3.359   7.279
  285    HA   ASP  40           HA       ASP  40   5.626   0.719   7.642
  286   1HB   ASP  40          1HB       ASP  40   5.047   2.939   9.662
  287   2HB   ASP  40          2HB       ASP  40   6.038   1.503   9.945
  288    H    LYS  41           H        LYS  41   4.817  -0.568   9.551
  289    HA   LYS  41           HA       LYS  41   2.313  -1.536   9.289
  290   1HB   LYS  41          1HB       LYS  41   2.518  -2.247  11.712
  291   2HB   LYS  41          2HB       LYS  41   3.680  -2.797  10.545
  292   1HG   LYS  41          1HG       LYS  41   5.417  -2.070  11.630
  293   2HG   LYS  41          2HG       LYS  41   4.777  -0.437  11.837
  294   1HD   LYS  41          1HD       LYS  41   3.574  -1.015  13.802
  295   2HD   LYS  41          2HD       LYS  41   3.782  -2.753  13.559
  296   1HE   LYS  41          1HE       LYS  41   6.198  -0.935  13.926
  297   2HE   LYS  41          2HE       LYS  41   5.278  -1.523  15.317
  298   1HZ   LYS  41          1HZ       LYS  41   6.520  -3.388  13.336
  299   2HZ   LYS  41          2HZ       LYS  41   7.166  -2.955  14.760
  300   3HZ   LYS  41          3HZ       LYS  41   5.753  -3.768  14.683
  301    H    LYS  42           H        LYS  42   3.200   0.986  11.576
  302    HA   LYS  42           HA       LYS  42   0.823   1.537  12.885
  303   1HB   LYS  42          1HB       LYS  42   2.930   3.450  11.762
  304   2HB   LYS  42          2HB       LYS  42   1.579   3.982  12.754
  305   1HG   LYS  42          1HG       LYS  42   2.411   2.369  14.582
  306   2HG   LYS  42          2HG       LYS  42   3.846   2.126  13.567
  307   1HD   LYS  42          1HD       LYS  42   4.492   3.855  15.053
  308   2HD   LYS  42          2HD       LYS  42   4.105   4.670  13.534
  309   1HE   LYS  42          1HE       LYS  42   1.658   4.885  14.705
  310   2HE   LYS  42          2HE       LYS  42   2.589   4.617  16.173
  311   1HZ   LYS  42          1HZ       LYS  42   3.025   6.764  14.194
  312   2HZ   LYS  42          2HZ       LYS  42   2.318   6.936  15.666
  313   3HZ   LYS  42          3HZ       LYS  42   3.915   6.555  15.565
  314    H    SER  43           H        SER  43   1.752   2.820   9.649
  315    HA   SER  43           HA       SER  43  -0.825   4.234   9.425
  316   1HB   SER  43          1HB       SER  43   1.461   3.962   7.428
  317   2HB   SER  43          2HB       SER  43   0.126   5.134   7.401
  318    HG   SER  43           HG       SER  43   2.107   5.961   8.322
  319    H    ALA  44           H        ALA  44   1.036   1.737   7.761
  320    HA   ALA  44           HA       ALA  44  -0.469   0.890   5.658
  321   1HB   ALA  44          1HB       ALA  44   0.682  -1.192   5.898
  322   2HB   ALA  44          2HB       ALA  44   1.807   0.127   6.368
  323   3HB   ALA  44          3HB       ALA  44   1.046  -0.877   7.600
  324    H    HIS  45           H        HIS  45  -0.684  -0.472   8.982
  325    HA   HIS  45           HA       HIS  45  -2.929  -2.142   8.151
  326   1HB   HIS  45          1HB       HIS  45  -1.180  -1.937  10.571
  327   2HB   HIS  45          2HB       HIS  45  -2.811  -2.538  10.799
  328    HD1  HIS  45           HND      HIS  45  -3.012  -5.029  10.598
  329    HD2  HIS  45           HD       HIS  45   0.098  -3.411   8.272
  330    HE1  HIS  45           HE       HIS  45  -1.883  -6.972   9.455
  331    H    LYS  46           H        LYS  46  -2.685   1.089   9.247
  332    HA   LYS  46           HA       LYS  46  -5.253   0.999  10.735
  333   1HB   LYS  46          1HB       LYS  46  -3.254   1.976  11.749
  334   2HB   LYS  46          2HB       LYS  46  -3.119   3.159  10.450
  335   1HG   LYS  46          1HG       LYS  46  -5.451   2.936  12.412
  336   2HG   LYS  46          2HG       LYS  46  -4.044   4.001  12.584
  337   1HD   LYS  46          1HD       LYS  46  -4.629   4.994  10.311
  338   2HD   LYS  46          2HD       LYS  46  -6.161   4.099  10.424
  339   1HE   LYS  46          1HE       LYS  46  -6.701   5.278  12.533
  340   2HE   LYS  46          2HE       LYS  46  -5.206   6.228  12.388
  341   1HZ   LYS  46          1HZ       LYS  46  -7.196   7.364  11.496
  342   2HZ   LYS  46          2HZ       LYS  46  -6.058   7.119  10.322
  343   3HZ   LYS  46          3HZ       LYS  46  -7.360   6.161  10.377
  344    H    ASP  47           H        ASP  47  -3.686   3.247   8.420
  345    HA   ASP  47           HA       ASP  47  -5.906   3.138   6.555
  346   1HB   ASP  47          1HB       ASP  47  -5.439   5.647   8.219
  347   2HB   ASP  47          2HB       ASP  47  -6.080   5.714   6.586
  348    H    ALA  48           H        ALA  48  -4.164   2.310   5.326
  349    HA   ALA  48           HA       ALA  48  -3.255   4.472   3.684
  350   1HB   ALA  48          1HB       ALA  48  -1.077   2.818   4.971
  351   2HB   ALA  48          2HB       ALA  48  -0.856   3.889   3.568
  352   3HB   ALA  48          3HB       ALA  48  -1.337   4.558   5.134
  353    H    CYS  49           H        CYS  49  -2.640   0.947   4.206
  354    HA   CYS  49           HA       CYS  49  -3.224   0.430   1.371
  355   1HB   CYS  49          1HB       CYS  49  -2.400  -1.518   3.508
  356   2HB   CYS  49          2HB       CYS  49  -2.262  -1.696   1.758
  357    H    LYS  50           H        LYS  50  -4.206  -1.185   4.415
  358    HA   LYS  50           HA       LYS  50  -6.258  -2.675   3.251
  359   1HB   LYS  50          1HB       LYS  50  -5.609  -1.801   6.057
  360   2HB   LYS  50          2HB       LYS  50  -7.156  -2.627   5.751
  361   1HG   LYS  50          1HG       LYS  50  -6.176  -4.623   5.081
  362   2HG   LYS  50          2HG       LYS  50  -4.703  -3.834   4.550
  363   1HD   LYS  50          1HD       LYS  50  -4.190  -5.202   6.410
  364   2HD   LYS  50          2HD       LYS  50  -3.904  -3.524   6.808
  365   1HE   LYS  50          1HE       LYS  50  -6.392  -5.137   7.602
  366   2HE   LYS  50          2HE       LYS  50  -4.968  -4.940   8.630
  367   1HZ   LYS  50          1HZ       LYS  50  -6.709  -3.400   9.214
  368   2HZ   LYS  50          2HZ       LYS  50  -5.393  -2.575   8.739
  369   3HZ   LYS  50          3HZ       LYS  50  -6.669  -2.709   7.728
  370    H    THR  51           H        THR  51  -6.485   0.603   4.575
  371    HA   THR  51           HA       THR  51  -9.321   0.791   4.642
  372    HB   THR  51           HB       THR  51  -7.708   2.301   5.704
  373    HG1  THR  51           HG1      THR  51  -9.027   3.881   5.703
  374   1HG2  THR  51          1HG2      THR  51  -7.422   3.638   2.964
  375   2HG2  THR  51          2HG2      THR  51  -6.732   4.193   4.487
  376   3HG2  THR  51          3HG2      THR  51  -6.141   2.691   3.749
  377    H    CYS  52           H        CYS  52  -6.985   1.026   1.996
  378    HA   CYS  52           HA       CYS  52  -8.922   2.089   0.071
  379   1HB   CYS  52          1HB       CYS  52  -6.122   1.994   0.334
  380   2HB   CYS  52          2HB       CYS  52  -6.473   0.831  -0.939
  381    H    HIS  53           H        HIS  53  -7.023  -0.917   0.588
  382    HA   HIS  53           HA       HIS  53  -8.215  -2.345  -1.532
  383   1HB   HIS  53          1HB       HIS  53  -7.006  -3.371   1.053
  384   2HB   HIS  53          2HB       HIS  53  -7.515  -4.388  -0.300
  385    HD1  HIS  53           HND      HIS  53  -4.784  -5.030   0.079
  386    HD2  HIS  53           HD       HIS  53  -5.857  -1.549  -2.053
  387    HE1  HIS  53           HE       HIS  53  -2.817  -4.375  -1.368
  388    H    LYS  54           H        LYS  54  -9.462  -1.906   1.786
  389    HA   LYS  54           HA       LYS  54 -11.500  -3.953   1.593
  390   1HB   LYS  54          1HB       LYS  54 -11.107  -1.639   3.461
  391   2HB   LYS  54          2HB       LYS  54 -12.485  -2.756   3.534
  392   1HG   LYS  54          1HG       LYS  54 -11.016  -4.699   3.787
  393   2HG   LYS  54          2HG       LYS  54  -9.595  -3.696   3.542
  394   1HD   LYS  54          1HD       LYS  54  -9.858  -4.121   5.899
  395   2HD   LYS  54          2HD       LYS  54 -10.024  -2.402   5.507
  396   1HE   LYS  54          1HE       LYS  54 -11.657  -3.140   7.244
  397   2HE   LYS  54          2HE       LYS  54 -12.432  -2.457   5.818
  398   1HZ   LYS  54          1HZ       LYS  54 -12.883  -4.682   5.056
  399   2HZ   LYS  54          2HZ       LYS  54 -12.136  -5.342   6.369
  400   3HZ   LYS  54          3HZ       LYS  54 -13.512  -4.462   6.557
  401    H    SER  55           H        SER  55 -11.998  -3.131  -0.720
  402    HA   SER  55           HA       SER  55 -14.625  -1.900  -0.657
  403   1HB   SER  55          1HB       SER  55 -14.050  -0.121  -2.317
  404   2HB   SER  55          2HB       SER  55 -13.316   0.182  -0.732
  405    HG   SER  55           HG       SER  55 -11.344  -0.324  -1.534
  406    H    ASN  56           H        ASN  56 -11.934  -2.266  -2.890
  407    HA   ASN  56           HA       ASN  56 -13.204  -3.855  -4.894
  408   1HB   ASN  56          1HB       ASN  56 -10.279  -3.926  -4.018
  409   2HB   ASN  56          2HB       ASN  56 -10.920  -4.570  -5.532
  410   1HD2  ASN  56          1HD2      ASN  56  -9.843  -1.712  -3.890
  411   2HD2  ASN  56          2HD2      ASN  56 -10.146  -0.598  -5.210
  412    H    ASN  57           H        ASN  57 -12.578  -6.112  -5.341
  413    HA   ASN  57           HA       ASN  57 -13.024  -7.863  -2.977
  414   1HB   ASN  57          1HB       ASN  57 -14.271  -8.016  -5.277
  415   2HB   ASN  57          2HB       ASN  57 -12.805  -8.825  -5.842
  416   1HD2  ASN  57          1HD2      ASN  57 -15.824  -9.565  -4.970
  417   2HD2  ASN  57          2HD2      ASN  57 -15.550 -11.042  -4.065
  418    H    GLY  58           H        GLY  58 -11.572  -9.954  -3.101
  419   1HA   GLY  58          1HA       GLY  58  -9.505 -10.866  -3.924
  420   2HA   GLY  58          2HA       GLY  58  -8.736  -9.289  -3.851
  421    HA   PRO  59           HA       PRO  59  -7.329 -10.634   0.035
  422   1HB   PRO  59          1HB       PRO  59  -6.603  -8.315   1.369
  423   2HB   PRO  59          2HB       PRO  59  -5.788  -8.838  -0.136
  424   1HG   PRO  59          1HG       PRO  59  -8.084  -6.869   0.123
  425   2HG   PRO  59          2HG       PRO  59  -6.538  -6.639  -0.759
  426   1HD   PRO  59          1HD       PRO  59  -8.808  -7.433  -2.033
  427   2HD   PRO  59          2HD       PRO  59  -7.214  -8.104  -2.491
  428    H    THR  60           H        THR  60  -7.508 -10.656   2.313
  429    HA   THR  60           HA       THR  60 -10.433 -10.819   2.808
  430    HB   THR  60           HB       THR  60  -9.252 -12.418   1.087
  431    HG1  THR  60           HG1      THR  60 -11.211 -12.691   1.507
  432   1HG2  THR  60          1HG2      THR  60  -8.469 -14.513   1.936
  433   2HG2  THR  60          2HG2      THR  60  -7.385 -13.223   2.470
  434   3HG2  THR  60          3HG2      THR  60  -8.560 -13.943   3.605
  435    H    LYS  61           H        LYS  61  -7.204 -11.787   3.998
  436    HA   LYS  61           HA       LYS  61  -7.765 -10.392   6.440
  437   1HB   LYS  61          1HB       LYS  61  -6.735 -12.333   7.831
  438   2HB   LYS  61          2HB       LYS  61  -8.463 -12.239   7.563
  439   1HG   LYS  61          1HG       LYS  61  -7.021 -13.923   5.553
  440   2HG   LYS  61          2HG       LYS  61  -6.951 -14.488   7.226
  441   1HD   LYS  61          1HD       LYS  61  -9.389 -14.405   7.423
  442   2HD   LYS  61          2HD       LYS  61  -9.529 -13.763   5.779
  443   1HE   LYS  61          1HE       LYS  61  -8.391 -15.884   4.933
  444   2HE   LYS  61          2HE       LYS  61  -8.417 -16.503   6.590
  445   1HZ   LYS  61          1HZ       LYS  61 -10.788 -15.788   4.984
  446   2HZ   LYS  61          2HZ       LYS  61 -10.255 -17.311   5.295
  447   3HZ   LYS  61          3HZ       LYS  61 -10.820 -16.378   6.523
  448    H    CYS  62           H        CYS  62  -5.306 -12.889   5.700
  449    HA   CYS  62           HA       CYS  62  -3.376 -10.705   5.134
  450   1HB   CYS  62          1HB       CYS  62  -2.449 -13.418   5.906
  451   2HB   CYS  62          2HB       CYS  62  -1.670 -11.830   6.088
  452    H    GLY  63           H        GLY  63  -1.405 -12.126   3.986
  453   1HA   GLY  63          1HA       GLY  63  -0.810 -13.511   2.189
  454   2HA   GLY  63          2HA       GLY  63  -2.515 -13.801   1.815
  455    H    GLY  64           H        GLY  64  -3.313 -11.062   1.775
  456   1HA   GLY  64          1HA       GLY  64  -3.209 -10.269  -0.809
  457   2HA   GLY  64          2HA       GLY  64  -3.349  -9.142   0.558
  458    H    CYS  65           H        CYS  65  -0.714  -9.513   1.608
  459    HA   CYS  65           HA       CYS  65   0.793  -7.849  -0.378
  460   1HB   CYS  65          1HB       CYS  65   0.401  -7.218   2.529
  461   2HB   CYS  65          2HB       CYS  65   1.015  -6.154   1.257
  462    H    HIS  66           H        HIS  66   1.069  -9.354   2.884
  463    HA   HIS  66           HA       HIS  66   3.968  -9.565   2.703
  464   1HB   HIS  66          1HB       HIS  66   2.009 -11.091   4.472
  465   2HB   HIS  66          2HB       HIS  66   3.748 -11.026   4.643
  466    HD1  HIS  66           HND      HIS  66   4.801  -8.676   5.571
  467    HD2  HIS  66           HD       HIS  66   0.596  -9.032   5.553
  468    HE1  HIS  66           HE       HIS  66   3.855  -6.881   7.137
  469    H    ILE  67           H        ILE  67   4.971 -11.078   1.354
  470    HA   ILE  67           HA       ILE  67   3.403 -13.393   0.417
  471    HB   ILE  67           HB       ILE  67   6.311 -12.825  -0.178
  472   1HG1  ILE  67          1HG1      ILE  67   5.143 -10.775  -0.773
  473   2HG1  ILE  67          2HG1      ILE  67   5.587 -11.670  -2.214
  474   1HG2  ILE  67          1HG2      ILE  67   5.667 -14.038  -2.310
  475   2HG2  ILE  67          2HG2      ILE  67   5.584 -15.047  -0.867
  476   3HG2  ILE  67          3HG2      ILE  67   4.096 -14.406  -1.561
  477   1HD1  ILE  67          1HD1      ILE  67   2.786 -11.602  -0.994
  478   2HD1  ILE  67          2HD1      ILE  67   3.343 -10.711  -2.415
  479   3HD1  ILE  67          3HD1      ILE  67   3.255 -12.476  -2.472
  480    H    LYS  68           H        LYS  68   3.410 -13.553   3.054
  481    HA   LYS  68           HA       LYS  68   4.127 -16.088   3.712
  482   1HB   LYS  68          1HB       LYS  68   6.549 -15.104   3.751
  483   2HB   LYS  68          2HB       LYS  68   6.042 -14.170   5.145
  484   1HG   LYS  68          1HG       LYS  68   5.648 -17.169   5.050
  485   2HG   LYS  68          2HG       LYS  68   7.256 -16.515   5.314
  486   1HD   LYS  68          1HD       LYS  68   6.893 -15.844   7.418
  487   2HD   LYS  68          2HD       LYS  68   5.272 -15.256   7.119
  488   1HE   LYS  68          1HE       LYS  68   5.946 -18.230   7.253
  489   2HE   LYS  68          2HE       LYS  68   5.458 -17.294   8.672
  490   1HZ   LYS  68          1HZ       LYS  68   3.691 -16.906   6.479
  491   2HZ   LYS  68          2HZ       LYS  68   3.735 -18.495   6.971
  492   3HZ   LYS  68          3HZ       LYS  68   3.357 -17.270   8.010
  493    HHA  HEC  69           HCM      HEC  69   8.404   6.933  -2.272
  494    HHB  HEC  69           HDM      HEC  69   6.464  10.619  -7.112
  495    HHC  HEC  69           HAM      HEC  69   1.193   6.939  -7.593
  496    HHD  HEC  69           HBM      HEC  69   2.593   4.548  -1.844
  497   1HMA  HEC  69          HM81      HEC  69   8.364  11.732  -5.793
  498   2HMA  HEC  69          HM82      HEC  69   9.886  10.862  -5.521
  499   3HMA  HEC  69          HM83      HEC  69   8.956  10.553  -6.991
  500   1HAA  HEC  69          HP71      HEC  69  10.158  10.023  -3.382
  501   2HAA  HEC  69          HP72      HEC  69   9.852   8.502  -2.565
  502   1HBA  HEC  69          HP73      HEC  69  10.800   7.249  -4.446
  503   2HBA  HEC  69          HP74      HEC  69  11.140   8.771  -5.287
  504   1HMB  HEC  69          HM11      HEC  69   5.205  10.225  -9.974
  505   2HMB  HEC  69          HM12      HEC  69   3.809  11.263  -9.622
  506   3HMB  HEC  69          HM13      HEC  69   5.285  11.465  -8.713
  507    HAB  HEC  69          HT2A      HEC  69   1.158   8.376  -9.260
  508   1HBB  HEC  69          HT21      HEC  69   1.687   8.676 -11.518
  509   2HBB  HEC  69          HT22      HEC  69   3.050   9.746 -11.186
  510   3HBB  HEC  69          HT23      HEC  69   3.206   8.019 -10.866
  511   1HMC  HEC  69          HM31      HEC  69  -0.288   4.897  -6.969
  512   2HMC  HEC  69          HM32      HEC  69  -1.210   4.894  -5.472
  513   3HMC  HEC  69          HM33      HEC  69  -0.831   6.431  -6.238
  514    HAC  HEC  69          HT4A      HEC  69   0.550   4.350  -2.075
  515   1HBC  HEC  69          HT41      HEC  69  -0.796   2.501  -2.690
  516   2HBC  HEC  69          HT42      HEC  69  -0.833   3.001  -4.381
  517   3HBC  HEC  69          HT43      HEC  69   0.680   2.407  -3.670
  518   1HMD  HEC  69          HM51      HEC  69   3.559   4.648   0.248
  519   2HMD  HEC  69          HM52      HEC  69   4.513   3.254  -0.284
  520   3HMD  HEC  69          HM53      HEC  69   5.183   4.414   0.886
  521   1HAD  HEC  69          HP61      HEC  69   8.021   6.381  -0.176
  522   2HAD  HEC  69          HP62      HEC  69   7.268   5.031   0.600
  523   1HBD  HEC  69          HP63      HEC  69   8.340   3.432  -0.770
  524   2HBD  HEC  69          HP64      HEC  69   8.862   4.663  -1.929
  525    HHA  HEC  70           HCM      HEC  70  -3.592  -5.260  -6.261
  526    HHB  HEC  70           HDM      HEC  70   0.589  -4.259  -1.526
  527    HHC  HEC  70           HAM      HEC  70  -2.211   1.394  -0.300
  528    HHD  HEC  70           HBM      HEC  70  -6.364   0.382  -5.019
  529   1HMA  HEC  70          HM81      HEC  70   1.480  -5.808  -3.144
  530   2HMA  HEC  70          HM82      HEC  70   0.346  -6.945  -2.368
  531   3HMA  HEC  70          HM83      HEC  70   0.759  -7.119  -4.083
  532   1HAA  HEC  70          HP71      HEC  70  -1.387  -7.905  -4.688
  533   2HAA  HEC  70          HP72      HEC  70  -2.782  -7.256  -5.526
  534   1HBA  HEC  70          HP73      HEC  70  -1.299  -6.351  -7.293
  535   2HBA  HEC  70          HP74      HEC  70   0.105  -7.016  -6.445
  536   1HMB  HEC  70          HM11      HEC  70   0.855  -2.391   1.681
  537   2HMB  HEC  70          HM12      HEC  70   0.941  -3.739   0.568
  538   3HMB  HEC  70          HM13      HEC  70   2.070  -2.373   0.395
  539    HAB  HEC  70          HT2A      HEC  70  -0.579   1.219   0.959
  540   1HBB  HEC  70          HT21      HEC  70   1.625   1.468   1.653
  541   2HBB  HEC  70          HT22      HEC  70   2.007  -0.245   1.445
  542   3HBB  HEC  70          HT23      HEC  70   1.732   0.787   0.027
  543   1HMC  HEC  70          HM31      HEC  70  -4.337   3.220  -0.369
  544   2HMC  HEC  70          HM32      HEC  70  -2.845   3.448  -1.296
  545   3HMC  HEC  70          HM33      HEC  70  -4.376   4.070  -1.918
  546    HAC  HEC  70          HT4A      HEC  70  -7.260   1.654  -3.382
  547   1HBC  HEC  70          HT41      HEC  70  -7.473   4.067  -4.043
  548   2HBC  HEC  70          HT42      HEC  70  -5.709   4.216  -3.940
  549   3HBC  HEC  70          HT43      HEC  70  -6.464   3.107  -5.119
  550   1HMD  HEC  70          HM51      HEC  70  -7.846  -2.202  -7.223
  551   2HMD  HEC  70          HM52      HEC  70  -7.599  -0.626  -6.487
  552   3HMD  HEC  70          HM53      HEC  70  -6.728  -1.048  -7.979
  553   1HAD  HEC  70          HP61      HEC  70  -5.679  -5.170  -7.252
  554   2HAD  HEC  70          HP62      HEC  70  -6.679  -3.963  -8.036
  555   1HBD  HEC  70          HP63      HEC  70  -3.693  -3.917  -8.497
  556   2HBD  HEC  70          HP64      HEC  70  -4.702  -5.114  -9.305
  557    HHA  HEC  71           HCM      HEC  71   4.168  -4.271   9.088
  558    HHB  HEC  71           HDM      HEC  71   1.052  -9.443  11.068
  559    HHC  HEC  71           HAM      HEC  71  -2.804  -8.968   5.995
  560    HHD  HEC  71           HBM      HEC  71   0.569  -4.050   3.844
  561   1HMA  HEC  71          HM81      HEC  71   2.203  -8.310  12.980
  562   2HMA  HEC  71          HM82      HEC  71   3.407  -9.251  12.063
  563   3HMA  HEC  71          HM83      HEC  71   3.899  -7.805  12.954
  564   1HAA  HEC  71          HP71      HEC  71   4.866  -4.678  11.082
  565   2HAA  HEC  71          HP72      HEC  71   4.467  -5.627  12.499
  566   1HBA  HEC  71          HP73      HEC  71   5.831  -7.502  11.575
  567   2HBA  HEC  71          HP74      HEC  71   6.199  -6.512  10.157
  568   1HMB  HEC  71          HM11      HEC  71   0.080 -11.555  10.597
  569   2HMB  HEC  71          HM12      HEC  71  -1.303 -10.758  11.379
  570   3HMB  HEC  71          HM13      HEC  71  -1.562 -12.019  10.153
  571    HAB  HEC  71          HT2A      HEC  71  -3.800 -10.101   7.510
  572   1HBB  HEC  71          HT21      HEC  71  -4.112  -9.336   9.805
  573   2HBB  HEC  71          HT22      HEC  71  -5.068 -10.771   9.393
  574   3HBB  HEC  71          HT23      HEC  71  -3.625 -10.936  10.400
  575   1HMC  HEC  71          HM31      HEC  71  -4.072  -7.803   4.267
  576   2HMC  HEC  71          HM32      HEC  71  -3.353  -7.459   2.681
  577   3HMC  HEC  71          HM33      HEC  71  -2.813  -8.870   3.611
  578    HAC  HEC  71          HT4A      HEC  71  -0.837  -4.462   2.409
  579   1HBC  HEC  71          HT41      HEC  71  -3.763  -5.190   2.539
  580   2HBC  HEC  71          HT42      HEC  71  -2.973  -3.749   3.227
  581   3HBC  HEC  71          HT43      HEC  71  -2.974  -3.993   1.480
  582   1HMD  HEC  71          HM51      HEC  71   2.164  -2.635   3.550
  583   2HMD  HEC  71          HM52      HEC  71   2.545  -1.340   4.684
  584   3HMD  HEC  71          HM53      HEC  71   3.796  -2.462   4.187
  585   1HAD  HEC  71          HP61      HEC  71   4.198  -1.415   6.575
  586   2HAD  HEC  71          HP62      HEC  71   4.461  -2.248   8.116
  587   1HBD  HEC  71          HP63      HEC  71   5.623  -3.185   5.496
  588   2HBD  HEC  71          HP64      HEC  71   6.475  -2.176   6.682
  Start of MODEL   26
    1   1H    ALA   1          1H        ALA   1   8.868   4.009  -5.970
    2   2H    ALA   1          2H        ALA   1   9.970   5.178  -6.419
    3   3H    ALA   1          3H        ALA   1   8.539   5.062  -7.179
    4    HA   ALA   1           HA       ALA   1  10.172   4.115  -8.590
    5   1HB   ALA   1          1HB       ALA   1  11.457   2.136  -7.832
    6   2HB   ALA   1          2HB       ALA   1  11.815   3.556  -6.828
    7   3HB   ALA   1          3HB       ALA   1  10.739   2.279  -6.215
    8    H    ASP   2           H        ASP   2   9.547   2.212  -9.971
    9    HA   ASP   2           HA       ASP   2   6.786   1.513  -9.567
   10   1HB   ASP   2          1HB       ASP   2   7.131   0.351 -11.746
   11   2HB   ASP   2          2HB       ASP   2   7.456   2.095 -11.746
   12    H    VAL   3           H        VAL   3   7.140   0.546  -7.567
   13    HA   VAL   3           HA       VAL   3   6.374  -1.381  -6.545
   14    HB   VAL   3           HB       VAL   3   8.255  -3.043  -8.269
   15   1HG1  VAL   3          1HG1      VAL   3   6.245  -3.838  -6.127
   16   2HG1  VAL   3          2HG1      VAL   3   7.084  -4.956  -7.215
   17   3HG1  VAL   3          3HG1      VAL   3   8.011  -4.017  -6.043
   18   1HG2  VAL   3          1HG2      VAL   3   5.200  -3.036  -8.236
   19   2HG2  VAL   3          2HG2      VAL   3   6.140  -2.228  -9.496
   20   3HG2  VAL   3          3HG2      VAL   3   6.262  -3.976  -9.289
   21    H    VAL   4           H        VAL   4   7.185  -1.782  -4.520
   22    HA   VAL   4           HA       VAL   4  10.129  -1.568  -4.015
   23    HB   VAL   4           HB       VAL   4   7.934  -0.010  -2.674
   24   1HG1  VAL   4          1HG1      VAL   4  10.853  -0.372  -1.815
   25   2HG1  VAL   4          2HG1      VAL   4   9.773   0.876  -1.169
   26   3HG1  VAL   4          3HG1      VAL   4   9.423  -0.820  -0.868
   27   1HG2  VAL   4          1HG2      VAL   4  10.480   0.848  -4.077
   28   2HG2  VAL   4          2HG2      VAL   4   8.815   1.077  -4.669
   29   3HG2  VAL   4          3HG2      VAL   4   9.361   1.931  -3.220
   30    H    THR   5           H        THR   5  10.634  -2.480  -1.824
   31    HA   THR   5           HA       THR   5   8.355  -3.736  -0.621
   32    HB   THR   5           HB       THR   5   9.523  -5.697  -1.583
   33    HG1  THR   5           HG1      THR   5   8.639  -5.502   0.589
   34   1HG2  THR   5          1HG2      THR   5  11.779  -6.348  -0.848
   35   2HG2  THR   5          2HG2      THR   5  11.842  -4.817  -1.741
   36   3HG2  THR   5          3HG2      THR   5  11.969  -4.825   0.032
   37    H    TYR   6           H        TYR   6   8.199  -3.615   1.506
   38    HA   TYR   6           HA       TYR   6   9.945  -1.787   2.937
   39   1HB   TYR   6          1HB       TYR   6   7.733  -3.616   3.903
   40   2HB   TYR   6          2HB       TYR   6   8.588  -2.470   4.924
   41    HD1  TYR   6           HD1      TYR   6   8.765   0.031   3.786
   42    HD2  TYR   6           HD2      TYR   6   5.691  -2.879   3.046
   43    HE1  TYR   6           HE1      TYR   6   7.399   1.725   2.617
   44    HE2  TYR   6           HE2      TYR   6   4.296  -1.135   2.001
   45    HH   TYR   6           HH       TYR   6   4.548   0.921   0.965
   46    H    GLU   7           H        GLU   7  10.012  -5.211   2.264
   47    HA   GLU   7           HA       GLU   7  11.084  -6.963   3.141
   48   1HB   GLU   7          1HB       GLU   7  12.839  -5.284   2.357
   49   2HB   GLU   7          2HB       GLU   7  13.166  -5.085   4.097
   50   1HG   GLU   7          1HG       GLU   7  13.634  -7.577   4.198
   51   2HG   GLU   7          2HG       GLU   7  13.370  -7.657   2.446
   52    H    ASN   8           H        ASN   8   9.311  -5.582   4.955
   53    HA   ASN   8           HA       ASN   8  10.192  -5.468   7.626
   54   1HB   ASN   8          1HB       ASN   8   7.893  -5.647   8.319
   55   2HB   ASN   8          2HB       ASN   8   7.974  -4.641   6.863
   56   1HD2  ASN   8          1HD2      ASN   8   6.867  -5.393   4.985
   57   2HD2  ASN   8          2HD2      ASN   8   6.183  -7.025   4.866
   58    H    LYS   9           H        LYS   9   9.998  -6.971   9.342
   59    HA   LYS   9           HA       LYS   9  11.260  -9.344   8.441
   60   1HB   LYS   9          1HB       LYS   9  10.500  -8.732  11.334
   61   2HB   LYS   9          2HB       LYS   9  11.816  -9.747  10.734
   62   1HG   LYS   9          1HG       LYS   9  12.604  -7.477   9.549
   63   2HG   LYS   9          2HG       LYS   9  11.525  -6.729  10.732
   64   1HD   LYS   9          1HD       LYS   9  13.610  -6.645  11.760
   65   2HD   LYS   9          2HD       LYS   9  12.805  -8.019  12.543
   66   1HE   LYS   9          1HE       LYS   9  14.058  -9.582  11.009
   67   2HE   LYS   9          2HE       LYS   9  14.799  -8.189  10.208
   68   1HZ   LYS   9          1HZ       LYS   9  15.871  -7.643  12.282
   69   2HZ   LYS   9          2HZ       LYS   9  15.187  -8.945  13.027
   70   3HZ   LYS   9          3HZ       LYS   9  16.260  -9.164  11.801
   71    H    LYS  10           H        LYS  10   8.114  -8.653   9.816
   72    HA   LYS  10           HA       LYS  10   6.999 -11.175  10.306
   73   1HB   LYS  10          1HB       LYS  10   5.681  -9.343  10.845
   74   2HB   LYS  10          2HB       LYS  10   6.054  -8.500   9.354
   75   1HG   LYS  10          1HG       LYS  10   3.885  -8.876   9.142
   76   2HG   LYS  10          2HG       LYS  10   4.521 -10.116   8.108
   77   1HD   LYS  10          1HD       LYS  10   3.536 -10.452  10.994
   78   2HD   LYS  10          2HD       LYS  10   2.564 -10.763   9.557
   79   1HE   LYS  10          1HE       LYS  10   5.030 -12.352  10.408
   80   2HE   LYS  10          2HE       LYS  10   3.349 -12.830  10.601
   81   1HZ   LYS  10          1HZ       LYS  10   4.119 -13.870   8.694
   82   2HZ   LYS  10          2HZ       LYS  10   3.197 -12.627   8.107
   83   3HZ   LYS  10          3HZ       LYS  10   4.855 -12.542   8.120
   84    H    GLY  11           H        GLY  11   7.378  -9.437   7.160
   85   1HA   GLY  11          1HA       GLY  11   7.977 -11.680   5.627
   86   2HA   GLY  11          2HA       GLY  11   6.205 -11.546   5.582
   87    H    ASN  12           H        ASN  12   9.027 -10.491   4.183
   88    HA   ASN  12           HA       ASN  12   9.009  -7.836   3.565
   89   1HB   ASN  12          1HB       ASN  12   9.386 -10.042   1.558
   90   2HB   ASN  12          2HB       ASN  12  10.002  -8.402   1.433
   91   1HD2  ASN  12          1HD2      ASN  12  10.519  -8.942   4.722
   92   2HD2  ASN  12          2HD2      ASN  12  12.135  -9.569   4.528
   93    H    VAL  13           H        VAL  13   7.300  -6.646   3.134
   94    HA   VAL  13           HA       VAL  13   4.987  -7.550   1.516
   95    HB   VAL  13           HB       VAL  13   5.648  -5.070   3.118
   96   1HG1  VAL  13          1HG1      VAL  13   3.573  -5.329   0.906
   97   2HG1  VAL  13          2HG1      VAL  13   3.334  -4.230   2.269
   98   3HG1  VAL  13          3HG1      VAL  13   4.724  -4.002   1.207
   99   1HG2  VAL  13          1HG2      VAL  13   3.066  -6.653   3.086
  100   2HG2  VAL  13          2HG2      VAL  13   4.478  -7.223   3.967
  101   3HG2  VAL  13          3HG2      VAL  13   3.757  -5.654   4.383
  102    H    THR  14           H        THR  14   5.327  -7.561  -0.623
  103    HA   THR  14           HA       THR  14   7.094  -5.509  -1.843
  104    HB   THR  14           HB       THR  14   7.540  -7.758  -2.638
  105    HG1  THR  14           HG1      THR  14   7.592  -5.853  -4.012
  106   1HG2  THR  14          1HG2      THR  14   5.969  -9.020  -3.987
  107   2HG2  THR  14          2HG2      THR  14   5.277  -8.794  -2.371
  108   3HG2  THR  14          3HG2      THR  14   4.695  -7.817  -3.736
  109    H    PHE  15           H        PHE  15   6.043  -3.739  -2.664
  110    HA   PHE  15           HA       PHE  15   3.072  -3.868  -2.855
  111   1HB   PHE  15          1HB       PHE  15   2.856  -1.715  -1.853
  112   2HB   PHE  15          2HB       PHE  15   3.588  -2.861  -0.730
  113    HD1  PHE  15           HD1      PHE  15   4.008   0.340  -2.400
  114    HD2  PHE  15           HD2      PHE  15   6.051  -2.797  -0.260
  115    HE1  PHE  15           HE1      PHE  15   5.724   1.968  -1.638
  116    HE2  PHE  15           HE2      PHE  15   7.679  -1.139   0.596
  117    HZ   PHE  15           HZ       PHE  15   7.495   1.222  -0.040
  118    H    ASP  16           H        ASP  16   2.462  -3.416  -4.789
  119    HA   ASP  16           HA       ASP  16   3.682  -2.164  -6.894
  120   1HB   ASP  16          1HB       ASP  16   0.868  -2.003  -5.799
  121   2HB   ASP  16          2HB       ASP  16   1.308  -1.564  -7.460
  122    H    HIS  17           H        HIS  17   3.375  -0.055  -7.731
  123    HA   HIS  17           HA       HIS  17   2.822   2.186  -5.894
  124   1HB   HIS  17          1HB       HIS  17   5.171   1.587  -5.416
  125   2HB   HIS  17          2HB       HIS  17   5.549   1.653  -7.133
  126    HD1  HIS  17           HND      HIS  17   5.919   4.133  -8.136
  127    HD2  HIS  17           HD       HIS  17   4.369   3.938  -4.246
  128    HE1  HIS  17           HE       HIS  17   5.757   6.551  -7.268
  129    H    LYS  18           H        LYS  18   4.675   1.780  -8.935
  130    HA   LYS  18           HA       LYS  18   3.433   3.842 -10.368
  131   1HB   LYS  18          1HB       LYS  18   5.455   2.959 -11.160
  132   2HB   LYS  18          2HB       LYS  18   4.834   1.292 -11.250
  133   1HG   LYS  18          1HG       LYS  18   3.409   1.814 -13.109
  134   2HG   LYS  18          2HG       LYS  18   3.663   3.553 -12.907
  135   1HD   LYS  18          1HD       LYS  18   6.020   3.303 -13.565
  136   2HD   LYS  18          2HD       LYS  18   5.824   1.534 -13.665
  137   1HE   LYS  18          1HE       LYS  18   4.135   1.771 -15.442
  138   2HE   LYS  18          2HE       LYS  18   4.178   3.532 -15.307
  139   1HZ   LYS  18          1HZ       LYS  18   5.456   2.732 -17.147
  140   2HZ   LYS  18          2HZ       LYS  18   6.449   3.477 -16.063
  141   3HZ   LYS  18          3HZ       LYS  18   6.424   1.830 -16.162
  142    H    ALA  19           H        ALA  19   2.693   0.329 -10.528
  143    HA   ALA  19           HA       ALA  19   0.486   0.264 -12.158
  144   1HB   ALA  19          1HB       ALA  19   1.478  -1.705 -11.056
  145   2HB   ALA  19          2HB       ALA  19   0.860  -1.101  -9.499
  146   3HB   ALA  19          3HB       ALA  19  -0.280  -1.637 -10.752
  147    H    HIS  20           H        HIS  20   0.357   0.844  -8.595
  148    HA   HIS  20           HA       HIS  20  -2.463   1.352  -8.478
  149   1HB   HIS  20          1HB       HIS  20  -0.157   2.158  -6.649
  150   2HB   HIS  20          2HB       HIS  20  -1.857   2.502  -6.329
  151    HD1  HIS  20           HND      HIS  20  -0.990  -0.963  -7.718
  152    HD2  HIS  20           HD       HIS  20  -2.088   1.004  -4.179
  153    HE1  HIS  20           HE       HIS  20  -1.775  -2.742  -6.112
  154    H    ALA  21           H        ALA  21   0.399   3.338  -9.110
  155    HA   ALA  21           HA       ALA  21  -0.916   5.894  -8.899
  156   1HB   ALA  21          1HB       ALA  21   1.507   5.334 -10.649
  157   2HB   ALA  21          2HB       ALA  21   0.974   6.851  -9.952
  158   3HB   ALA  21          3HB       ALA  21   1.590   5.556  -8.892
  159    H    GLU  22           H        GLU  22  -0.288   3.839 -11.724
  160    HA   GLU  22           HA       GLU  22  -1.506   5.759 -13.542
  161   1HB   GLU  22          1HB       GLU  22  -1.167   4.101 -15.303
  162   2HB   GLU  22          2HB       GLU  22   0.291   4.482 -14.380
  163   1HG   GLU  22          1HG       GLU  22  -0.095   2.313 -13.096
  164   2HG   GLU  22          2HG       GLU  22  -1.355   1.930 -14.271
  165    H    LYS  23           H        LYS  23  -2.580   2.715 -11.984
  166    HA   LYS  23           HA       LYS  23  -5.139   2.718 -13.228
  167   1HB   LYS  23          1HB       LYS  23  -4.184   1.641 -10.537
  168   2HB   LYS  23          2HB       LYS  23  -5.769   1.281 -11.218
  169   1HG   LYS  23          1HG       LYS  23  -3.145   0.679 -12.670
  170   2HG   LYS  23          2HG       LYS  23  -3.913  -0.483 -11.594
  171   1HD   LYS  23          1HD       LYS  23  -5.361   0.791 -13.945
  172   2HD   LYS  23          2HD       LYS  23  -4.334  -0.611 -14.166
  173   1HE   LYS  23          1HE       LYS  23  -6.530  -0.669 -12.059
  174   2HE   LYS  23          2HE       LYS  23  -6.949  -0.934 -13.756
  175   1HZ   LYS  23          1HZ       LYS  23  -4.812  -2.481 -12.452
  176   2HZ   LYS  23          2HZ       LYS  23  -6.289  -2.903 -12.199
  177   3HZ   LYS  23          3HZ       LYS  23  -5.713  -2.914 -13.767
  178    H    LEU  24           H        LEU  24  -4.197   4.123 -10.027
  179    HA   LEU  24           HA       LEU  24  -6.832   5.349  -9.781
  180   1HB   LEU  24          1HB       LEU  24  -4.242   5.559  -8.199
  181   2HB   LEU  24          2HB       LEU  24  -5.675   6.502  -7.849
  182    HG   LEU  24           HG       LEU  24  -5.342   4.588  -6.451
  183   1HD1  LEU  24          1HD1      LEU  24  -7.959   4.501  -8.028
  184   2HD1  LEU  24          2HD1      LEU  24  -7.730   3.900  -6.384
  185   3HD1  LEU  24          3HD1      LEU  24  -7.573   5.635  -6.713
  186   1HD2  LEU  24          1HD2      LEU  24  -6.018   2.327  -7.063
  187   2HD2  LEU  24          2HD2      LEU  24  -6.086   2.788  -8.770
  188   3HD2  LEU  24          3HD2      LEU  24  -4.543   2.833  -7.869
  189    H    GLY  25           H        GLY  25  -3.482   6.751 -10.102
  190   1HA   GLY  25          1HA       GLY  25  -3.727   8.757 -11.759
  191   2HA   GLY  25          2HA       GLY  25  -4.638   9.450 -10.396
  192    H    CYS  26           H        CYS  26  -3.569   9.561  -8.327
  193    HA   CYS  26           HA       CYS  26  -0.884   9.021  -7.716
  194   1HB   CYS  26          1HB       CYS  26  -0.576  10.876  -9.672
  195   2HB   CYS  26          2HB       CYS  26  -1.070  11.973  -8.412
  196    H    ASP  27           H        ASP  27  -3.322  11.352  -7.644
  197    HA   ASP  27           HA       ASP  27  -3.405  12.837  -5.315
  198   1HB   ASP  27          1HB       ASP  27  -5.851  12.719  -5.805
  199   2HB   ASP  27          2HB       ASP  27  -4.896  13.099  -7.239
  200    H    ALA  28           H        ALA  28  -4.545   9.617  -6.065
  201    HA   ALA  28           HA       ALA  28  -5.856   8.760  -3.864
  202   1HB   ALA  28          1HB       ALA  28  -5.032   6.470  -4.494
  203   2HB   ALA  28          2HB       ALA  28  -5.550   7.474  -5.871
  204   3HB   ALA  28          3HB       ALA  28  -3.818   7.251  -5.547
  205    H    CYS  29           H        CYS  29  -2.315   9.043  -4.088
  206    HA   CYS  29           HA       CYS  29  -2.108   8.347  -1.167
  207   1HB   CYS  29          1HB       CYS  29  -0.152   7.669  -3.331
  208   2HB   CYS  29          2HB       CYS  29  -0.011   7.274  -1.608
  209    H    HIS  30           H        HIS  30  -0.911  10.421  -3.854
  210    HA   HIS  30           HA       HIS  30   0.528  12.089  -1.809
  211   1HB   HIS  30          1HB       HIS  30   1.477  11.516  -4.605
  212   2HB   HIS  30          2HB       HIS  30   2.265  12.517  -3.400
  213    HD1  HIS  30           HND      HIS  30   3.620  11.120  -1.450
  214    HD2  HIS  30           HD       HIS  30   2.017   9.062  -4.707
  215    HE1  HIS  30           HE       HIS  30   5.133   9.033  -1.896
  216    H    GLU  31           H        GLU  31  -0.408  14.037  -1.807
  217    HA   GLU  31           HA       GLU  31  -2.162  14.881  -4.016
  218   1HB   GLU  31          1HB       GLU  31  -1.421  16.570  -1.556
  219   2HB   GLU  31          2HB       GLU  31  -2.803  16.689  -2.647
  220   1HG   GLU  31          1HG       GLU  31  -3.373  14.340  -1.909
  221   2HG   GLU  31          2HG       GLU  31  -2.191  14.513  -0.604
  222    H    GLY  32           H        GLY  32   0.427  16.393  -2.280
  223   1HA   GLY  32          1HA       GLY  32   1.336  17.977  -4.679
  224   2HA   GLY  32          2HA       GLY  32   1.555  18.437  -2.984
  225    H    THR  33           H        THR  33   3.726  18.319  -2.504
  226    HA   THR  33           HA       THR  33   5.668  16.866  -3.788
  227    HB   THR  33           HB       THR  33   5.597  17.517  -0.813
  228    HG1  THR  33           HG1      THR  33   6.108  19.240  -3.008
  229   1HG2  THR  33          1HG2      THR  33   7.868  17.575  -2.862
  230   2HG2  THR  33          2HG2      THR  33   7.988  17.976  -1.135
  231   3HG2  THR  33          3HG2      THR  33   7.617  16.317  -1.634
  232    HA   PRO  34           HA       PRO  34   4.533  12.782  -2.128
  233   1HB   PRO  34          1HB       PRO  34   6.467  11.243  -3.333
  234   2HB   PRO  34          2HB       PRO  34   4.925  11.741  -4.073
  235   1HG   PRO  34          1HG       PRO  34   7.629  12.913  -4.516
  236   2HG   PRO  34          2HG       PRO  34   6.257  12.706  -5.653
  237   1HD   PRO  34          1HD       PRO  34   6.946  15.101  -4.396
  238   2HD   PRO  34          2HD       PRO  34   5.315  14.718  -5.027
  239    H    ALA  35           H        ALA  35   8.091  13.188  -2.519
  240    HA   ALA  35           HA       ALA  35   9.833  12.842  -1.101
  241   1HB   ALA  35          1HB       ALA  35   8.026  14.339   0.838
  242   2HB   ALA  35          2HB       ALA  35   9.781  14.118   0.997
  243   3HB   ALA  35          3HB       ALA  35   9.135  15.059  -0.355
  244    H    LYS  36           H        LYS  36   8.648  10.595  -1.403
  245    HA   LYS  36           HA       LYS  36   7.934   8.631  -0.726
  246   1HB   LYS  36          1HB       LYS  36   9.301   7.458   0.803
  247   2HB   LYS  36          2HB       LYS  36  10.320   8.587  -0.067
  248   1HG   LYS  36          1HG       LYS  36  10.755   9.887   1.770
  249   2HG   LYS  36          2HG       LYS  36   9.229   9.515   2.568
  250   1HD   LYS  36          1HD       LYS  36  10.983   8.404   3.815
  251   2HD   LYS  36          2HD       LYS  36   9.893   7.249   3.065
  252   1HE   LYS  36          1HE       LYS  36  11.814   7.373   1.098
  253   2HE   LYS  36          2HE       LYS  36  12.794   7.804   2.501
  254   1HZ   LYS  36          1HZ       LYS  36  11.900   5.682   3.493
  255   2HZ   LYS  36          2HZ       LYS  36  11.160   5.386   2.050
  256   3HZ   LYS  36          3HZ       LYS  36  12.770   5.442   2.103
  257    H    ILE  37           H        ILE  37   7.542   7.399   1.808
  258    HA   ILE  37           HA       ILE  37   5.611   9.124   3.207
  259    HB   ILE  37           HB       ILE  37   4.587   6.424   2.297
  260   1HG1  ILE  37          1HG1      ILE  37   4.184   9.053   0.855
  261   2HG1  ILE  37          2HG1      ILE  37   4.914   7.541   0.259
  262   1HG2  ILE  37          1HG2      ILE  37   3.199   8.948   3.313
  263   2HG2  ILE  37          2HG2      ILE  37   2.425   7.386   3.000
  264   3HG2  ILE  37          3HG2      ILE  37   3.587   7.535   4.312
  265   1HD1  ILE  37          1HD1      ILE  37   2.596   6.481   0.623
  266   2HD1  ILE  37          2HD1      ILE  37   1.990   8.126   0.900
  267   3HD1  ILE  37          3HD1      ILE  37   2.693   7.701  -0.659
  268    H    ALA  38           H        ALA  38   6.866   5.892   2.872
  269    HA   ALA  38           HA       ALA  38   7.526   4.273   4.310
  270   1HB   ALA  38          1HB       ALA  38   7.676   6.378   6.499
  271   2HB   ALA  38          2HB       ALA  38   8.395   4.760   6.490
  272   3HB   ALA  38          3HB       ALA  38   8.953   5.985   5.323
  273    H    ILE  39           H        ILE  39   5.390   3.521   3.786
  274    HA   ILE  39           HA       ILE  39   3.290   3.858   5.828
  275    HB   ILE  39           HB       ILE  39   3.389   2.437   3.181
  276   1HG1  ILE  39          1HG1      ILE  39   3.131   4.870   3.095
  277   2HG1  ILE  39          2HG1      ILE  39   1.681   4.000   2.618
  278   1HG2  ILE  39          1HG2      ILE  39   1.322   2.264   5.358
  279   2HG2  ILE  39          2HG2      ILE  39   0.878   2.095   3.648
  280   3HG2  ILE  39          3HG2      ILE  39   2.029   0.968   4.357
  281   1HD1  ILE  39          1HD1      ILE  39   0.719   4.440   4.916
  282   2HD1  ILE  39          2HD1      ILE  39   2.077   5.558   5.184
  283   3HD1  ILE  39          3HD1      ILE  39   0.924   5.847   3.877
  284    H    ASP  40           H        ASP  40   4.184   3.199   7.498
  285    HA   ASP  40           HA       ASP  40   5.287   0.467   7.921
  286   1HB   ASP  40          1HB       ASP  40   4.816   2.700   9.943
  287   2HB   ASP  40          2HB       ASP  40   5.702   1.197  10.212
  288    H    LYS  41           H        LYS  41   4.294  -0.791   9.778
  289    HA   LYS  41           HA       LYS  41   1.783  -1.562   9.455
  290   1HB   LYS  41          1HB       LYS  41   1.789  -2.473  11.665
  291   2HB   LYS  41          2HB       LYS  41   3.331  -2.670  10.856
  292   1HG   LYS  41          1HG       LYS  41   4.192  -0.674  12.226
  293   2HG   LYS  41          2HG       LYS  41   2.687  -0.839  13.190
  294   1HD   LYS  41          1HD       LYS  41   3.267  -3.304  13.417
  295   2HD   LYS  41          2HD       LYS  41   4.840  -2.903  12.662
  296   1HE   LYS  41          1HE       LYS  41   5.443  -1.494  14.538
  297   2HE   LYS  41          2HE       LYS  41   3.870  -1.789  15.317
  298   1HZ   LYS  41          1HZ       LYS  41   5.689  -3.248  16.144
  299   2HZ   LYS  41          2HZ       LYS  41   4.451  -4.113  15.497
  300   3HZ   LYS  41          3HZ       LYS  41   5.803  -3.957  14.669
  301    H    LYS  42           H        LYS  42   2.660   1.016  11.648
  302    HA   LYS  42           HA       LYS  42   0.298   1.841  12.805
  303   1HB   LYS  42          1HB       LYS  42   2.760   3.269  11.733
  304   2HB   LYS  42          2HB       LYS  42   1.357   4.275  12.062
  305   1HG   LYS  42          1HG       LYS  42   2.721   4.361  13.924
  306   2HG   LYS  42          2HG       LYS  42   1.227   3.509  14.354
  307   1HD   LYS  42          1HD       LYS  42   2.338   1.359  14.323
  308   2HD   LYS  42          2HD       LYS  42   3.829   2.047  13.659
  309   1HE   LYS  42          1HE       LYS  42   2.636   2.757  16.393
  310   2HE   LYS  42          2HE       LYS  42   3.897   1.544  16.144
  311   1HZ   LYS  42          1HZ       LYS  42   4.837   3.633  16.787
  312   2HZ   LYS  42          2HZ       LYS  42   5.318   3.271  15.258
  313   3HZ   LYS  42          3HZ       LYS  42   4.161   4.411  15.512
  314    H    SER  43           H        SER  43   1.383   2.904   9.568
  315    HA   SER  43           HA       SER  43  -1.217   4.210   9.096
  316   1HB   SER  43          1HB       SER  43   1.206   3.904   7.282
  317   2HB   SER  43          2HB       SER  43  -0.180   4.999   7.068
  318    HG   SER  43           HG       SER  43   1.692   5.988   8.072
  319    H    ALA  44           H        ALA  44   0.807   1.662   7.709
  320    HA   ALA  44           HA       ALA  44  -0.558   0.741   5.542
  321   1HB   ALA  44          1HB       ALA  44   0.862  -1.000   7.566
  322   2HB   ALA  44          2HB       ALA  44   0.643  -1.288   5.833
  323   3HB   ALA  44          3HB       ALA  44   1.699   0.038   6.407
  324    H    HIS  45           H        HIS  45  -1.010  -0.437   8.922
  325    HA   HIS  45           HA       HIS  45  -3.159  -2.248   8.006
  326   1HB   HIS  45          1HB       HIS  45  -1.535  -1.912  10.526
  327   2HB   HIS  45          2HB       HIS  45  -3.123  -2.633  10.617
  328    HD1  HIS  45           HND      HIS  45  -3.110  -5.089  10.524
  329    HD2  HIS  45           HD       HIS  45   0.008  -3.360   8.279
  330    HE1  HIS  45           HE       HIS  45  -1.775  -6.990   9.570
  331    H    LYS  46           H        LYS  46  -2.962   1.015   9.065
  332    HA   LYS  46           HA       LYS  46  -5.532   0.940  10.563
  333   1HB   LYS  46          1HB       LYS  46  -3.692   2.115  11.523
  334   2HB   LYS  46          2HB       LYS  46  -3.425   3.063  10.063
  335   1HG   LYS  46          1HG       LYS  46  -5.907   3.319  11.816
  336   2HG   LYS  46          2HG       LYS  46  -4.408   4.254  12.032
  337   1HD   LYS  46          1HD       LYS  46  -4.581   4.914   9.608
  338   2HD   LYS  46          2HD       LYS  46  -6.235   4.204   9.705
  339   1HE   LYS  46          1HE       LYS  46  -7.021   5.932  11.118
  340   2HE   LYS  46          2HE       LYS  46  -5.391   6.598  11.316
  341   1HZ   LYS  46          1HZ       LYS  46  -5.387   7.214   9.004
  342   2HZ   LYS  46          2HZ       LYS  46  -6.837   6.593   8.672
  343   3HZ   LYS  46          3HZ       LYS  46  -6.717   7.847   9.707
  344    H    ASP  47           H        ASP  47  -4.029   2.813   7.927
  345    HA   ASP  47           HA       ASP  47  -6.361   2.763   6.158
  346   1HB   ASP  47          1HB       ASP  47  -7.202   4.207   7.914
  347   2HB   ASP  47          2HB       ASP  47  -5.638   5.144   7.804
  348    H    ALA  48           H        ALA  48  -4.424   1.937   5.063
  349    HA   ALA  48           HA       ALA  48  -3.571   3.991   3.266
  350   1HB   ALA  48          1HB       ALA  48  -1.121   3.491   3.363
  351   2HB   ALA  48          2HB       ALA  48  -1.739   4.362   4.778
  352   3HB   ALA  48          3HB       ALA  48  -1.396   2.632   4.896
  353    H    CYS  49           H        CYS  49  -2.392   0.691   4.205
  354    HA   CYS  49           HA       CYS  49  -3.019  -0.250   1.473
  355   1HB   CYS  49          1HB       CYS  49  -1.858  -1.838   3.717
  356   2HB   CYS  49          2HB       CYS  49  -1.807  -2.182   1.991
  357    H    LYS  50           H        LYS  50  -3.765  -1.172   4.891
  358    HA   LYS  50           HA       LYS  50  -5.798  -3.026   3.947
  359   1HB   LYS  50          1HB       LYS  50  -4.212  -3.277   5.943
  360   2HB   LYS  50          2HB       LYS  50  -5.269  -2.155   6.791
  361   1HG   LYS  50          1HG       LYS  50  -7.158  -3.952   5.923
  362   2HG   LYS  50          2HG       LYS  50  -5.730  -4.969   5.780
  363   1HD   LYS  50          1HD       LYS  50  -6.334  -5.493   7.919
  364   2HD   LYS  50          2HD       LYS  50  -5.245  -4.153   8.274
  365   1HE   LYS  50          1HE       LYS  50  -8.310  -4.111   8.113
  366   2HE   LYS  50          2HE       LYS  50  -7.329  -3.968   9.578
  367   1HZ   LYS  50          1HZ       LYS  50  -8.139  -1.828   8.855
  368   2HZ   LYS  50          2HZ       LYS  50  -6.506  -1.864   8.755
  369   3HZ   LYS  50          3HZ       LYS  50  -7.415  -1.973   7.392
  370    H    THR  51           H        THR  51  -6.660  -0.798   2.864
  371    HA   THR  51           HA       THR  51  -9.189  -0.229   4.265
  372    HB   THR  51           HB       THR  51  -7.752   1.482   5.127
  373    HG1  THR  51           HG1      THR  51  -8.970   3.289   4.410
  374   1HG2  THR  51          1HG2      THR  51  -6.710   3.218   3.795
  375   2HG2  THR  51          2HG2      THR  51  -6.118   1.665   3.187
  376   3HG2  THR  51          3HG2      THR  51  -7.364   2.580   2.300
  377    H    CYS  52           H        CYS  52  -7.242   0.693   1.356
  378    HA   CYS  52           HA       CYS  52  -9.416   1.096  -0.378
  379   1HB   CYS  52          1HB       CYS  52  -6.515   0.393  -0.665
  380   2HB   CYS  52          2HB       CYS  52  -7.559   0.176  -2.061
  381    H    HIS  53           H        HIS  53  -7.534  -1.891   0.151
  382    HA   HIS  53           HA       HIS  53  -9.083  -3.375  -1.745
  383   1HB   HIS  53          1HB       HIS  53  -7.382  -4.772   0.296
  384   2HB   HIS  53          2HB       HIS  53  -7.618  -5.135  -1.394
  385    HD1  HIS  53           HND      HIS  53  -5.566  -2.802   0.952
  386    HD2  HIS  53           HD       HIS  53  -5.835  -3.788  -3.160
  387    HE1  HIS  53           HE       HIS  53  -3.545  -1.944  -0.165
  388    H    LYS  54           H        LYS  54 -10.992  -2.356  -0.112
  389    HA   LYS  54           HA       LYS  54 -12.005  -4.569   1.633
  390   1HB   LYS  54          1HB       LYS  54 -12.603  -1.619   1.503
  391   2HB   LYS  54          2HB       LYS  54 -13.716  -2.814   2.226
  392   1HG   LYS  54          1HG       LYS  54 -12.017  -3.612   3.756
  393   2HG   LYS  54          2HG       LYS  54 -10.786  -2.614   2.979
  394   1HD   LYS  54          1HD       LYS  54 -11.497  -1.710   5.093
  395   2HD   LYS  54          2HD       LYS  54 -11.801  -0.579   3.776
  396   1HE   LYS  54          1HE       LYS  54 -14.002  -2.400   4.852
  397   2HE   LYS  54          2HE       LYS  54 -13.598  -0.875   5.652
  398   1HZ   LYS  54          1HZ       LYS  54 -14.068   0.302   3.644
  399   2HZ   LYS  54          2HZ       LYS  54 -14.444  -1.083   2.846
  400   3HZ   LYS  54          3HZ       LYS  54 -15.377  -0.581   4.100
  401    H    SER  55           H        SER  55 -13.116  -2.154  -0.801
  402    HA   SER  55           HA       SER  55 -15.523  -3.670  -1.417
  403   1HB   SER  55          1HB       SER  55 -14.279  -1.382  -3.002
  404   2HB   SER  55          2HB       SER  55 -15.945  -1.977  -3.064
  405    HG   SER  55           HG       SER  55 -14.644  -0.602  -0.956
  406    H    ASN  56           H        ASN  56 -12.278  -3.306  -2.770
  407    HA   ASN  56           HA       ASN  56 -12.777  -4.640  -5.258
  408   1HB   ASN  56          1HB       ASN  56 -10.181  -4.352  -3.690
  409   2HB   ASN  56          2HB       ASN  56 -10.322  -4.851  -5.382
  410   1HD2  ASN  56          1HD2      ASN  56  -8.691  -2.892  -5.224
  411   2HD2  ASN  56          2HD2      ASN  56  -9.426  -1.321  -5.547
  412    H    ASN  57           H        ASN  57 -12.240  -6.784  -5.848
  413    HA   ASN  57           HA       ASN  57 -12.819  -8.730  -3.720
  414   1HB   ASN  57          1HB       ASN  57 -13.868  -8.817  -5.983
  415   2HB   ASN  57          2HB       ASN  57 -12.292  -9.236  -6.672
  416   1HD2  ASN  57          1HD2      ASN  57 -15.082 -10.687  -6.037
  417   2HD2  ASN  57          2HD2      ASN  57 -14.521 -12.222  -5.400
  418    H    GLY  58           H        GLY  58 -11.074  -9.212  -2.393
  419   1HA   GLY  58          1HA       GLY  58  -8.798 -10.568  -3.462
  420   2HA   GLY  58          2HA       GLY  58  -8.382  -8.914  -2.937
  421    HA   PRO  59           HA       PRO  59  -8.638 -11.887   0.754
  422   1HB   PRO  59          1HB       PRO  59  -6.012 -11.886   1.546
  423   2HB   PRO  59          2HB       PRO  59  -6.640 -12.989   0.286
  424   1HG   PRO  59          1HG       PRO  59  -5.274 -10.315  -0.123
  425   2HG   PRO  59          2HG       PRO  59  -4.857 -11.876  -0.899
  426   1HD   PRO  59          1HD       PRO  59  -6.414 -10.038  -2.145
  427   2HD   PRO  59          2HD       PRO  59  -6.809 -11.777  -2.275
  428    H    THR  60           H        THR  60  -8.753 -11.150   2.883
  429    HA   THR  60           HA       THR  60  -8.545  -8.193   3.212
  430    HB   THR  60           HB       THR  60 -10.551  -8.691   4.725
  431    HG1  THR  60           HG1      THR  60 -11.555 -10.756   4.005
  432   1HG2  THR  60          1HG2      THR  60 -10.760  -7.742   2.420
  433   2HG2  THR  60          2HG2      THR  60 -10.842  -9.386   1.760
  434   3HG2  THR  60          3HG2      THR  60 -12.123  -8.795   2.837
  435    H    LYS  61           H        LYS  61  -8.231 -11.348   4.838
  436    HA   LYS  61           HA       LYS  61  -7.097 -10.179   7.265
  437   1HB   LYS  61          1HB       LYS  61  -7.130 -13.065   6.274
  438   2HB   LYS  61          2HB       LYS  61  -6.499 -12.496   7.827
  439   1HG   LYS  61          1HG       LYS  61  -8.906 -11.442   8.132
  440   2HG   LYS  61          2HG       LYS  61  -9.351 -12.498   6.790
  441   1HD   LYS  61          1HD       LYS  61  -9.871 -13.779   8.686
  442   2HD   LYS  61          2HD       LYS  61  -8.305 -14.426   8.168
  443   1HE   LYS  61          1HE       LYS  61  -7.207 -12.873   9.901
  444   2HE   LYS  61          2HE       LYS  61  -8.831 -12.396  10.413
  445   1HZ   LYS  61          1HZ       LYS  61  -7.927 -14.085  11.814
  446   2HZ   LYS  61          2HZ       LYS  61  -9.225 -14.701  11.019
  447   3HZ   LYS  61          3HZ       LYS  61  -7.698 -15.112  10.556
  448    H    CYS  62           H        CYS  62  -5.262 -12.694   5.552
  449    HA   CYS  62           HA       CYS  62  -3.022 -10.760   5.317
  450   1HB   CYS  62          1HB       CYS  62  -2.396 -13.514   6.167
  451   2HB   CYS  62          2HB       CYS  62  -1.486 -12.003   6.354
  452    H    GLY  63           H        GLY  63  -1.090 -12.109   4.264
  453   1HA   GLY  63          1HA       GLY  63  -0.367 -13.415   2.458
  454   2HA   GLY  63          2HA       GLY  63  -2.042 -13.784   2.022
  455    H    GLY  64           H        GLY  64  -3.083 -11.211   1.900
  456   1HA   GLY  64          1HA       GLY  64  -2.928 -10.271  -0.598
  457   2HA   GLY  64          2HA       GLY  64  -3.134  -9.192   0.803
  458    H    CYS  65           H        CYS  65  -0.711  -9.143   1.946
  459    HA   CYS  65           HA       CYS  65   0.905  -7.662  -0.097
  460   1HB   CYS  65          1HB       CYS  65   0.528  -7.031   2.802
  461   2HB   CYS  65          2HB       CYS  65   1.184  -5.965   1.550
  462    H    HIS  66           H        HIS  66   1.169  -9.270   3.122
  463    HA   HIS  66           HA       HIS  66   4.069  -9.497   2.927
  464   1HB   HIS  66          1HB       HIS  66   2.123 -11.040   4.686
  465   2HB   HIS  66          2HB       HIS  66   3.874 -11.000   4.835
  466    HD1  HIS  66           HND      HIS  66   4.942  -8.634   5.790
  467    HD2  HIS  66           HD       HIS  66   0.739  -9.012   5.774
  468    HE1  HIS  66           HE       HIS  66   3.966  -6.806   7.317
  469    H    ILE  67           H        ILE  67   4.892 -10.781   1.289
  470    HA   ILE  67           HA       ILE  67   3.578 -13.286   0.496
  471    HB   ILE  67           HB       ILE  67   6.406 -12.303  -0.042
  472   1HG1  ILE  67          1HG1      ILE  67   4.868 -10.653  -0.926
  473   2HG1  ILE  67          2HG1      ILE  67   5.629 -11.562  -2.226
  474   1HG2  ILE  67          1HG2      ILE  67   6.269 -13.890  -1.970
  475   2HG2  ILE  67          2HG2      ILE  67   6.208 -14.693  -0.396
  476   3HG2  ILE  67          3HG2      ILE  67   4.722 -14.490  -1.336
  477   1HD1  ILE  67          1HD1      ILE  67   3.548 -12.900  -2.518
  478   2HD1  ILE  67          2HD1      ILE  67   2.777 -11.967  -1.209
  479   3HD1  ILE  67          3HD1      ILE  67   3.271 -11.163  -2.704
  480    H    LYS  68           H        LYS  68   3.476 -14.934   2.065
  481    HA   LYS  68           HA       LYS  68   5.942 -15.952   3.091
  482   1HB   LYS  68          1HB       LYS  68   5.171 -14.148   4.772
  483   2HB   LYS  68          2HB       LYS  68   3.731 -15.129   5.047
  484   1HG   LYS  68          1HG       LYS  68   6.240 -16.700   5.254
  485   2HG   LYS  68          2HG       LYS  68   6.266 -15.285   6.298
  486   1HD   LYS  68          1HD       LYS  68   5.416 -17.006   7.637
  487   2HD   LYS  68          2HD       LYS  68   3.996 -16.021   7.209
  488   1HE   LYS  68          1HE       LYS  68   3.303 -17.655   5.528
  489   2HE   LYS  68          2HE       LYS  68   4.817 -18.565   5.726
  490   1HZ   LYS  68          1HZ       LYS  68   3.019 -19.604   6.807
  491   2HZ   LYS  68          2HZ       LYS  68   4.120 -19.128   7.931
  492   3HZ   LYS  68          3HZ       LYS  68   2.705 -18.292   7.745
  493    HHA  HEC  69           HCM      HEC  69   8.165   6.567  -1.905
  494    HHB  HEC  69           HDM      HEC  69   6.492  10.464  -6.684
  495    HHC  HEC  69           HAM      HEC  69   0.999   7.185  -7.248
  496    HHD  HEC  69           HBM      HEC  69   2.226   4.581  -1.549
  497   1HMA  HEC  69          HM81      HEC  69   8.486  11.189  -5.874
  498   2HMA  HEC  69          HM82      HEC  69   9.908  10.496  -5.093
  499   3HMA  HEC  69          HM83      HEC  69   9.309   9.782  -6.583
  500   1HAA  HEC  69          HP71      HEC  69  10.382   9.328  -3.326
  501   2HAA  HEC  69          HP72      HEC  69   9.744   8.175  -2.172
  502   1HBA  HEC  69          HP73      HEC  69  11.704   7.284  -3.283
  503   2HBA  HEC  69          HP74      HEC  69  10.272   6.318  -3.665
  504   1HMB  HEC  69          HM11      HEC  69   3.642  11.585  -8.802
  505   2HMB  HEC  69          HM12      HEC  69   5.092  11.692  -7.847
  506   3HMB  HEC  69          HM13      HEC  69   5.101  10.713  -9.337
  507    HAB  HEC  69          HT2A      HEC  69   0.992   8.711  -8.687
  508   1HBB  HEC  69          HT21      HEC  69   2.596   8.795 -10.589
  509   2HBB  HEC  69          HT22      HEC  69   1.108   9.726 -10.777
  510   3HBB  HEC  69          HT23      HEC  69   2.622  10.560 -10.423
  511   1HMC  HEC  69          HM31      HEC  69  -0.486   5.006  -6.770
  512   2HMC  HEC  69          HM32      HEC  69  -1.503   5.129  -5.337
  513   3HMC  HEC  69          HM33      HEC  69  -1.030   6.598  -6.178
  514    HAC  HEC  69          HT4A      HEC  69   0.133   4.609  -1.836
  515   1HBC  HEC  69          HT41      HEC  69  -1.305   3.292  -4.153
  516   2HBC  HEC  69          HT42      HEC  69   0.064   2.589  -3.276
  517   3HBC  HEC  69          HT43      HEC  69  -1.456   2.927  -2.430
  518   1HMD  HEC  69          HM51      HEC  69   4.988   3.632   0.830
  519   2HMD  HEC  69          HM52      HEC  69   3.399   4.391   0.675
  520   3HMD  HEC  69          HM53      HEC  69   3.836   3.030  -0.374
  521   1HAD  HEC  69          HP61      HEC  69   7.484   6.314   0.147
  522   2HAD  HEC  69          HP62      HEC  69   6.642   5.091   1.033
  523   1HBD  HEC  69          HP63      HEC  69   7.997   3.347   0.029
  524   2HBD  HEC  69          HP64      HEC  69   8.753   4.514  -1.070
  525    HHA  HEC  70           HCM      HEC  70  -3.844  -5.317  -6.273
  526    HHB  HEC  70           HDM      HEC  70   0.287  -4.496  -1.453
  527    HHC  HEC  70           HAM      HEC  70  -2.324   1.190  -0.211
  528    HHD  HEC  70           HBM      HEC  70  -6.381   0.391  -5.044
  529   1HMA  HEC  70          HM81      HEC  70  -0.038  -7.651  -3.506
  530   2HMA  HEC  70          HM82      HEC  70   1.115  -6.303  -3.669
  531   3HMA  HEC  70          HM83      HEC  70   0.332  -6.656  -2.106
  532   1HAA  HEC  70          HP71      HEC  70  -2.094  -6.671  -6.559
  533   2HAA  HEC  70          HP72      HEC  70  -0.833  -7.466  -5.654
  534   1HBA  HEC  70          HP73      HEC  70  -2.444  -8.634  -4.267
  535   2HBA  HEC  70          HP74      HEC  70  -3.778  -7.686  -4.939
  536   1HMB  HEC  70          HM11      HEC  70   1.602  -3.495  -0.025
  537   2HMB  HEC  70          HM12      HEC  70   1.604  -2.170   1.143
  538   3HMB  HEC  70          HM13      HEC  70   0.403  -3.463   1.267
  539    HAB  HEC  70          HT2A      HEC  70  -0.721   1.008   1.058
  540   1HBB  HEC  70          HT21      HEC  70   1.579   1.471   1.506
  541   2HBB  HEC  70          HT22      HEC  70   2.095  -0.058   0.786
  542   3HBB  HEC  70          HT23      HEC  70   1.353   1.188  -0.226
  543   1HMC  HEC  70          HM31      HEC  70  -4.239   3.926  -1.754
  544   2HMC  HEC  70          HM32      HEC  70  -4.903   3.101  -0.331
  545   3HMC  HEC  70          HM33      HEC  70  -3.162   3.126  -0.639
  546    HAC  HEC  70          HT4A      HEC  70  -7.225   1.783  -3.712
  547   1HBC  HEC  70          HT41      HEC  70  -7.358   4.115  -3.990
  548   2HBC  HEC  70          HT42      HEC  70  -5.811   4.394  -3.175
  549   3HBC  HEC  70          HT43      HEC  70  -5.858   3.486  -4.708
  550   1HMD  HEC  70          HM51      HEC  70  -6.456  -0.020  -7.254
  551   2HMD  HEC  70          HM52      HEC  70  -6.698  -1.413  -8.306
  552   3HMD  HEC  70          HM53      HEC  70  -7.841  -1.098  -6.984
  553   1HAD  HEC  70          HP61      HEC  70  -5.656  -4.997  -7.677
  554   2HAD  HEC  70          HP62      HEC  70  -6.584  -3.657  -8.315
  555   1HBD  HEC  70          HP63      HEC  70  -3.995  -2.694  -8.553
  556   2HBD  HEC  70          HP64      HEC  70  -3.728  -4.423  -8.774
  557    HHA  HEC  71           HCM      HEC  71   4.140  -3.980   9.188
  558    HHB  HEC  71           HDM      HEC  71   1.208  -9.246  11.339
  559    HHC  HEC  71           HAM      HEC  71  -2.634  -9.021   6.252
  560    HHD  HEC  71           HBM      HEC  71   0.616  -4.159   3.905
  561   1HMA  HEC  71          HM81      HEC  71   4.077  -8.520  12.522
  562   2HMA  HEC  71          HM82      HEC  71   3.504  -7.104  13.399
  563   3HMA  HEC  71          HM83      HEC  71   2.369  -8.390  13.021
  564   1HAA  HEC  71          HP71      HEC  71   5.057  -4.456  11.016
  565   2HAA  HEC  71          HP72      HEC  71   4.328  -5.034  12.514
  566   1HBA  HEC  71          HP73      HEC  71   5.942  -7.110  11.270
  567   2HBA  HEC  71          HP74      HEC  71   6.865  -5.623  11.455
  568   1HMB  HEC  71          HM11      HEC  71  -1.055 -10.715  11.630
  569   2HMB  HEC  71          HM12      HEC  71  -1.252 -11.989  10.400
  570   3HMB  HEC  71          HM13      HEC  71   0.368 -11.459  10.864
  571    HAB  HEC  71          HT2A      HEC  71  -3.573 -10.079   7.818
  572   1HBB  HEC  71          HT21      HEC  71  -4.815 -10.705   9.693
  573   2HBB  HEC  71          HT22      HEC  71  -3.361 -10.950  10.676
  574   3HBB  HEC  71          HT23      HEC  71  -3.786  -9.322  10.098
  575   1HMC  HEC  71          HM31      HEC  71  -2.700  -9.017   3.973
  576   2HMC  HEC  71          HM32      HEC  71  -3.985  -7.858   4.374
  577   3HMC  HEC  71          HM33      HEC  71  -3.080  -7.722   2.842
  578    HAC  HEC  71          HT4A      HEC  71  -1.150  -4.287   2.827
  579   1HBC  HEC  71          HT41      HEC  71  -3.455  -4.195   3.592
  580   2HBC  HEC  71          HT42      HEC  71  -3.310  -4.211   1.821
  581   3HBC  HEC  71          HT43      HEC  71  -3.837  -5.660   2.672
  582   1HMD  HEC  71          HM51      HEC  71   3.499  -2.698   3.835
  583   2HMD  HEC  71          HM52      HEC  71   1.767  -2.332   3.828
  584   3HMD  HEC  71          HM53      HEC  71   2.872  -1.349   4.780
  585   1HAD  HEC  71          HP61      HEC  71   4.684  -1.808   6.020
  586   2HAD  HEC  71          HP62      HEC  71   4.158  -1.564   7.653
  587   1HBD  HEC  71          HP63      HEC  71   5.772  -4.017   7.194
  588   2HBD  HEC  71          HP64      HEC  71   6.601  -2.525   6.753
  Start of MODEL   27
    1   1H    ALA   1          1H        ALA   1  11.913   0.512  -8.458
    2   2H    ALA   1          2H        ALA   1  12.634   1.368  -7.244
    3   3H    ALA   1          3H        ALA   1  11.064   0.859  -7.100
    4    HA   ALA   1           HA       ALA   1  11.298   3.240  -7.604
    5   1HB   ALA   1          1HB       ALA   1  12.341   2.161 -10.265
    6   2HB   ALA   1          2HB       ALA   1  11.851   3.836  -9.948
    7   3HB   ALA   1          3HB       ALA   1  13.233   3.139  -9.085
    8    H    ASP   2           H        ASP   2  10.421   1.375 -10.623
    9    HA   ASP   2           HA       ASP   2   7.784   1.955 -10.637
   10   1HB   ASP   2          1HB       ASP   2   9.198  -0.645 -11.449
   11   2HB   ASP   2          2HB       ASP   2   7.643  -0.106 -12.075
   12    H    VAL   3           H        VAL   3   9.436  -0.429  -8.704
   13    HA   VAL   3           HA       VAL   3   6.967  -1.028  -7.190
   14    HB   VAL   3           HB       VAL   3   7.551  -2.966  -8.607
   15   1HG1  VAL   3          1HG1      VAL   3   9.656  -4.199  -8.320
   16   2HG1  VAL   3          2HG1      VAL   3   9.969  -2.575  -8.935
   17   3HG1  VAL   3          3HG1      VAL   3  10.271  -2.952  -7.223
   18   1HG2  VAL   3          1HG2      VAL   3   6.635  -3.429  -6.360
   19   2HG2  VAL   3          2HG2      VAL   3   7.710  -4.705  -6.934
   20   3HG2  VAL   3          3HG2      VAL   3   8.290  -3.559  -5.718
   21    H    VAL   4           H        VAL   4   7.388  -1.324  -4.877
   22    HA   VAL   4           HA       VAL   4  10.173  -0.843  -3.991
   23    HB   VAL   4           HB       VAL   4   7.635   0.432  -2.883
   24   1HG1  VAL   4          1HG1      VAL   4   8.909  -0.398  -0.930
   25   2HG1  VAL   4          2HG1      VAL   4  10.407   0.269  -1.603
   26   3HG1  VAL   4          3HG1      VAL   4   9.111   1.348  -1.059
   27   1HG2  VAL   4          1HG2      VAL   4   8.913   2.527  -3.131
   28   2HG2  VAL   4          2HG2      VAL   4  10.278   1.619  -3.814
   29   3HG2  VAL   4          3HG2      VAL   4   8.728   1.707  -4.686
   30    H    THR   5           H        THR   5  10.483  -1.883  -1.849
   31    HA   THR   5           HA       THR   5   8.208  -3.347  -0.942
   32    HB   THR   5           HB       THR   5   9.476  -5.004  -2.398
   33    HG1  THR   5           HG1      THR   5   8.630  -5.265   0.054
   34   1HG2  THR   5          1HG2      THR   5  11.600  -5.925  -1.699
   35   2HG2  THR   5          2HG2      THR   5  11.795  -4.182  -1.968
   36   3HG2  THR   5          3HG2      THR   5  11.691  -4.827  -0.313
   37    H    TYR   6           H        TYR   6   8.023  -3.399   1.198
   38    HA   TYR   6           HA       TYR   6  10.192  -2.203   2.864
   39   1HB   TYR   6          1HB       TYR   6   7.450  -3.132   3.769
   40   2HB   TYR   6          2HB       TYR   6   8.635  -2.209   4.667
   41    HD1  TYR   6           HD1      TYR   6   9.337   0.112   3.449
   42    HD2  TYR   6           HD2      TYR   6   5.668  -2.033   2.793
   43    HE1  TYR   6           HE1      TYR   6   8.208   2.230   2.770
   44    HE2  TYR   6           HE2      TYR   6   4.576   0.050   2.048
   45    HH   TYR   6           HH       TYR   6   4.782   2.282   1.805
   46    H    GLU   7           H        GLU   7  11.721  -3.855   2.908
   47    HA   GLU   7           HA       GLU   7  11.013  -6.610   3.416
   48   1HB   GLU   7          1HB       GLU   7  13.281  -5.692   2.587
   49   2HB   GLU   7          2HB       GLU   7  13.547  -5.307   4.305
   50   1HG   GLU   7          1HG       GLU   7  12.960  -7.773   4.768
   51   2HG   GLU   7          2HG       GLU   7  13.092  -7.992   2.999
   52    H    ASN   8           H        ASN   8  10.665  -7.557   5.454
   53    HA   ASN   8           HA       ASN   8  10.914  -6.156   7.954
   54   1HB   ASN   8          1HB       ASN   8   8.538  -6.160   8.492
   55   2HB   ASN   8          2HB       ASN   8   8.782  -5.152   7.072
   56   1HD2  ASN   8          1HD2      ASN   8   8.172  -6.000   4.941
   57   2HD2  ASN   8          2HD2      ASN   8   7.090  -7.395   4.844
   58    H    LYS   9           H        LYS   9   9.617  -7.906   9.606
   59    HA   LYS   9           HA       LYS   9  11.416 -10.169   8.984
   60   1HB   LYS   9          1HB       LYS   9  11.671  -8.803  11.037
   61   2HB   LYS   9          2HB       LYS   9  10.104  -9.371  11.613
   62   1HG   LYS   9          1HG       LYS   9  10.832 -11.582  11.883
   63   2HG   LYS   9          2HG       LYS   9  12.184 -11.421  10.762
   64   1HD   LYS   9          1HD       LYS   9  12.061  -9.945  13.422
   65   2HD   LYS   9          2HD       LYS   9  12.776 -11.558  13.232
   66   1HE   LYS   9          1HE       LYS   9  14.364 -10.684  11.523
   67   2HE   LYS   9          2HE       LYS   9  13.702  -9.057  11.713
   68   1HZ   LYS   9          1HZ       LYS   9  15.060 -10.593  13.822
   69   2HZ   LYS   9          2HZ       LYS   9  15.690  -9.339  12.965
   70   3HZ   LYS   9          3HZ       LYS   9  14.432  -9.078  13.989
   71    H    LYS  10           H        LYS  10   8.031  -9.409   9.848
   72    HA   LYS  10           HA       LYS  10   7.106 -12.125   9.946
   73   1HB   LYS  10          1HB       LYS  10   5.136 -11.255  10.376
   74   2HB   LYS  10          2HB       LYS  10   5.961  -9.729  10.417
   75   1HG   LYS  10          1HG       LYS  10   4.020  -9.409   9.169
   76   2HG   LYS  10          2HG       LYS  10   5.336  -9.303   8.038
   77   1HD   LYS  10          1HD       LYS  10   3.119 -10.581   7.458
   78   2HD   LYS  10          2HD       LYS  10   4.637 -11.245   6.886
   79   1HE   LYS  10          1HE       LYS  10   4.627 -12.872   8.824
   80   2HE   LYS  10          2HE       LYS  10   3.097 -12.173   9.338
   81   1HZ   LYS  10          1HZ       LYS  10   2.424 -12.873   6.892
   82   2HZ   LYS  10          2HZ       LYS  10   3.712 -13.809   6.949
   83   3HZ   LYS  10          3HZ       LYS  10   2.563 -14.055   8.043
   84    H    GLY  11           H        GLY  11   7.442  -9.825   7.195
   85   1HA   GLY  11          1HA       GLY  11   8.085 -11.818   5.300
   86   2HA   GLY  11          2HA       GLY  11   6.316 -11.609   5.295
   87    H    ASN  12           H        ASN  12   9.209 -10.430   4.115
   88    HA   ASN  12           HA       ASN  12   9.289  -7.929   3.294
   89   1HB   ASN  12          1HB       ASN  12   9.084 -10.038   1.131
   90   2HB   ASN  12          2HB       ASN  12  10.091  -8.593   1.179
   91   1HD2  ASN  12          1HD2      ASN  12  11.109  -8.911   3.875
   92   2HD2  ASN  12          2HD2      ASN  12  12.197 -10.271   3.849
   93    H    VAL  13           H        VAL  13   7.729  -6.425   2.831
   94    HA   VAL  13           HA       VAL  13   5.118  -7.208   1.588
   95    HB   VAL  13           HB       VAL  13   6.137  -4.789   3.107
   96   1HG1  VAL  13          1HG1      VAL  13   3.391  -5.015   1.803
   97   2HG1  VAL  13          2HG1      VAL  13   4.083  -3.709   2.799
   98   3HG1  VAL  13          3HG1      VAL  13   4.687  -3.966   1.186
   99   1HG2  VAL  13          1HG2      VAL  13   5.310  -6.728   4.407
  100   2HG2  VAL  13          2HG2      VAL  13   4.321  -5.290   4.642
  101   3HG2  VAL  13          3HG2      VAL  13   3.740  -6.605   3.593
  102    H    THR  14           H        THR  14   5.416  -7.255  -0.611
  103    HA   THR  14           HA       THR  14   7.029  -5.086  -1.890
  104    HB   THR  14           HB       THR  14   5.976  -7.688  -3.042
  105    HG1  THR  14           HG1      THR  14   8.317  -6.946  -1.685
  106   1HG2  THR  14          1HG2      THR  14   7.602  -7.194  -4.855
  107   2HG2  THR  14          2HG2      THR  14   6.327  -5.968  -4.772
  108   3HG2  THR  14          3HG2      THR  14   7.943  -5.613  -4.126
  109    H    PHE  15           H        PHE  15   6.021  -3.516  -3.100
  110    HA   PHE  15           HA       PHE  15   3.192  -3.877  -3.833
  111   1HB   PHE  15          1HB       PHE  15   2.503  -1.791  -2.800
  112   2HB   PHE  15          2HB       PHE  15   3.092  -2.917  -1.582
  113    HD1  PHE  15           HD1      PHE  15   5.496  -2.636  -0.704
  114    HD2  PHE  15           HD2      PHE  15   3.363   0.410  -2.908
  115    HE1  PHE  15           HE1      PHE  15   7.000  -0.909   0.211
  116    HE2  PHE  15           HE2      PHE  15   4.761   2.150  -1.840
  117    HZ   PHE  15           HZ       PHE  15   6.661   1.458  -0.361
  118    H    ASP  16           H        ASP  16   2.741  -2.874  -5.777
  119    HA   ASP  16           HA       ASP  16   4.967  -1.891  -7.253
  120   1HB   ASP  16          1HB       ASP  16   2.290  -1.072  -8.154
  121   2HB   ASP  16          2HB       ASP  16   3.610  -1.832  -9.045
  122    H    HIS  17           H        HIS  17   5.092   0.216  -8.142
  123    HA   HIS  17           HA       HIS  17   3.885   2.424  -6.547
  124   1HB   HIS  17          1HB       HIS  17   6.424   1.987  -6.323
  125   2HB   HIS  17          2HB       HIS  17   6.558   2.421  -8.020
  126    HD1  HIS  17           HND      HIS  17   7.762   4.703  -7.817
  127    HD2  HIS  17           HD       HIS  17   4.440   4.219  -5.299
  128    HE1  HIS  17           HE       HIS  17   7.225   7.028  -6.806
  129    H    LYS  18           H        LYS  18   5.515   1.777  -9.648
  130    HA   LYS  18           HA       LYS  18   4.118   3.628 -11.271
  131   1HB   LYS  18          1HB       LYS  18   6.020   3.005 -12.217
  132   2HB   LYS  18          2HB       LYS  18   5.934   1.351 -11.656
  133   1HG   LYS  18          1HG       LYS  18   3.890   2.051 -13.722
  134   2HG   LYS  18          2HG       LYS  18   5.570   2.144 -14.207
  135   1HD   LYS  18          1HD       LYS  18   6.080  -0.022 -13.955
  136   2HD   LYS  18          2HD       LYS  18   4.946  -0.270 -12.634
  137   1HE   LYS  18          1HE       LYS  18   4.292  -1.532 -14.710
  138   2HE   LYS  18          2HE       LYS  18   3.058  -0.473 -14.024
  139   1HZ   LYS  18          1HZ       LYS  18   2.936  -0.115 -16.216
  140   2HZ   LYS  18          2HZ       LYS  18   3.606   1.185 -15.676
  141   3HZ   LYS  18          3HZ       LYS  18   4.589   0.094 -16.478
  142    H    ALA  19           H        ALA  19   3.578   0.099 -11.087
  143    HA   ALA  19           HA       ALA  19   1.281  -0.022 -12.615
  144   1HB   ALA  19          1HB       ALA  19   1.449  -1.579 -10.085
  145   2HB   ALA  19          2HB       ALA  19   0.729  -2.068 -11.615
  146   3HB   ALA  19          3HB       ALA  19   2.506  -1.957 -11.473
  147    H    HIS  20           H        HIS  20   1.225   0.433  -9.017
  148    HA   HIS  20           HA       HIS  20  -1.604   0.820  -8.787
  149   1HB   HIS  20          1HB       HIS  20   0.797   1.589  -7.103
  150   2HB   HIS  20          2HB       HIS  20  -0.771   2.286  -6.756
  151    HD1  HIS  20           HND      HIS  20   0.723  -1.300  -7.003
  152    HD2  HIS  20           HD       HIS  20  -2.344   0.920  -5.146
  153    HE1  HIS  20           HE       HIS  20  -0.398  -2.832  -5.382
  154    H    ALA  21           H        ALA  21   1.108   2.917  -9.659
  155    HA   ALA  21           HA       ALA  21  -0.383   5.384  -9.444
  156   1HB   ALA  21          1HB       ALA  21   1.430   6.400 -10.642
  157   2HB   ALA  21          2HB       ALA  21   2.053   5.313  -9.373
  158   3HB   ALA  21          3HB       ALA  21   2.115   4.844 -11.079
  159    H    GLU  22           H        GLU  22   0.341   3.348 -12.293
  160    HA   GLU  22           HA       GLU  22  -1.156   5.103 -14.067
  161   1HB   GLU  22          1HB       GLU  22  -0.878   3.393 -15.791
  162   2HB   GLU  22          2HB       GLU  22   0.622   3.918 -15.014
  163   1HG   GLU  22          1HG       GLU  22   0.360   1.761 -13.583
  164   2HG   GLU  22          2HG       GLU  22  -0.806   1.247 -14.804
  165    H    LYS  23           H        LYS  23  -1.937   2.092 -12.304
  166    HA   LYS  23           HA       LYS  23  -4.580   1.842 -13.375
  167   1HB   LYS  23          1HB       LYS  23  -3.333   0.964 -10.741
  168   2HB   LYS  23          2HB       LYS  23  -4.935   0.462 -11.284
  169   1HG   LYS  23          1HG       LYS  23  -2.351  -0.066 -12.852
  170   2HG   LYS  23          2HG       LYS  23  -3.116  -1.198 -11.716
  171   1HD   LYS  23          1HD       LYS  23  -5.240  -0.906 -13.192
  172   2HD   LYS  23          2HD       LYS  23  -4.172  -0.123 -14.362
  173   1HE   LYS  23          1HE       LYS  23  -4.283  -2.348 -15.100
  174   2HE   LYS  23          2HE       LYS  23  -2.709  -2.230 -14.295
  175   1HZ   LYS  23          1HZ       LYS  23  -5.166  -3.304 -12.997
  176   2HZ   LYS  23          2HZ       LYS  23  -3.990  -4.250 -13.673
  177   3HZ   LYS  23          3HZ       LYS  23  -3.748  -3.308 -12.344
  178    H    LEU  24           H        LEU  24  -3.314   3.704 -10.590
  179    HA   LEU  24           HA       LEU  24  -6.096   4.532  -9.929
  180   1HB   LEU  24          1HB       LEU  24  -3.619   4.701  -8.209
  181   2HB   LEU  24          2HB       LEU  24  -5.307   4.868  -7.728
  182    HG   LEU  24           HG       LEU  24  -4.191   2.252  -8.871
  183   1HD1  LEU  24          1HD1      LEU  24  -4.380   3.160  -5.993
  184   2HD1  LEU  24          2HD1      LEU  24  -4.140   1.482  -6.536
  185   3HD1  LEU  24          3HD1      LEU  24  -2.943   2.735  -6.903
  186   1HD2  LEU  24          1HD2      LEU  24  -6.201   1.343  -7.695
  187   2HD2  LEU  24          2HD2      LEU  24  -6.778   3.012  -7.490
  188   3HD2  LEU  24          3HD2      LEU  24  -6.553   2.340  -9.115
  189    H    GLY  25           H        GLY  25  -2.784   6.000 -10.257
  190   1HA   GLY  25          1HA       GLY  25  -3.065   8.067 -11.676
  191   2HA   GLY  25          2HA       GLY  25  -3.946   8.739 -10.291
  192    H    CYS  26           H        CYS  26  -2.927   8.787  -8.382
  193    HA   CYS  26           HA       CYS  26  -0.287   8.372  -7.490
  194   1HB   CYS  26          1HB       CYS  26  -0.858  11.295  -8.084
  195   2HB   CYS  26          2HB       CYS  26   0.498  10.651  -7.163
  196    H    ASP  27           H        ASP  27  -3.125  10.443  -7.504
  197    HA   ASP  27           HA       ASP  27  -3.298  11.669  -5.114
  198   1HB   ASP  27          1HB       ASP  27  -5.700  10.356  -6.445
  199   2HB   ASP  27          2HB       ASP  27  -5.607  11.896  -5.587
  200    H    ALA  28           H        ALA  28  -4.238   8.473  -6.006
  201    HA   ALA  28           HA       ALA  28  -5.449   7.126  -4.095
  202   1HB   ALA  28          1HB       ALA  28  -2.837   6.431  -5.506
  203   2HB   ALA  28          2HB       ALA  28  -3.779   5.241  -4.602
  204   3HB   ALA  28          3HB       ALA  28  -4.489   6.045  -6.023
  205    H    CYS  29           H        CYS  29  -2.031   8.062  -3.921
  206    HA   CYS  29           HA       CYS  29  -1.916   7.296  -1.020
  207   1HB   CYS  29          1HB       CYS  29   0.309   7.108  -3.033
  208   2HB   CYS  29          2HB       CYS  29   0.227   6.414  -1.395
  209    H    HIS  30           H        HIS  30  -0.863   9.608  -3.557
  210    HA   HIS  30           HA       HIS  30   0.521  11.277  -1.465
  211   1HB   HIS  30          1HB       HIS  30   0.862  11.072  -4.444
  212   2HB   HIS  30          2HB       HIS  30   1.658  12.232  -3.420
  213    HD1  HIS  30           HND      HIS  30   3.618  10.977  -1.603
  214    HD2  HIS  30           HD       HIS  30   2.033   8.884  -4.915
  215    HE1  HIS  30           HE       HIS  30   5.275   9.189  -2.275
  216    H    GLU  31           H        GLU  31  -0.843  12.908  -0.847
  217    HA   GLU  31           HA       GLU  31  -2.683  14.184  -2.760
  218   1HB   GLU  31          1HB       GLU  31  -2.016  14.797   0.158
  219   2HB   GLU  31          2HB       GLU  31  -3.274  15.603  -0.819
  220   1HG   GLU  31          1HG       GLU  31  -4.373  13.433  -1.157
  221   2HG   GLU  31          2HG       GLU  31  -3.190  12.677  -0.068
  222    H    GLY  32           H        GLY  32  -1.440  16.479  -0.749
  223   1HA   GLY  32          1HA       GLY  32  -1.024  18.343  -2.639
  224   2HA   GLY  32          2HA       GLY  32  -0.248  18.422  -1.053
  225    H    THR  33           H        THR  33   1.627  16.236  -1.406
  226    HA   THR  33           HA       THR  33   3.179  16.744  -3.777
  227    HB   THR  33           HB       THR  33   3.876  18.690  -2.499
  228    HG1  THR  33           HG1      THR  33   6.078  18.221  -2.424
  229   1HG2  THR  33          1HG2      THR  33   4.685  16.786  -0.250
  230   2HG2  THR  33          2HG2      THR  33   4.982  18.532  -0.313
  231   3HG2  THR  33          3HG2      THR  33   3.325  17.927  -0.191
  232    HA   PRO  34           HA       PRO  34   3.577  12.669  -2.680
  233   1HB   PRO  34          1HB       PRO  34   5.647  11.623  -4.161
  234   2HB   PRO  34          2HB       PRO  34   4.061  12.108  -4.819
  235   1HG   PRO  34          1HG       PRO  34   6.607  13.707  -4.738
  236   2HG   PRO  34          2HG       PRO  34   5.465  13.506  -6.105
  237   1HD   PRO  34          1HD       PRO  34   5.419  15.731  -4.521
  238   2HD   PRO  34          2HD       PRO  34   3.910  14.998  -5.138
  239    H    ALA  35           H        ALA  35   6.837  13.950  -2.686
  240    HA   ALA  35           HA       ALA  35   8.740  13.275  -1.509
  241   1HB   ALA  35          1HB       ALA  35   8.743  14.874   0.332
  242   2HB   ALA  35          2HB       ALA  35   7.872  15.534  -1.063
  243   3HB   ALA  35          3HB       ALA  35   6.964  14.909   0.332
  244    H    LYS  36           H        LYS  36   7.638  10.868  -1.284
  245    HA   LYS  36           HA       LYS  36   7.662   8.961  -0.157
  246   1HB   LYS  36          1HB       LYS  36   9.273  10.475   1.945
  247   2HB   LYS  36          2HB       LYS  36   8.895   8.767   2.007
  248   1HG   LYS  36          1HG       LYS  36   9.978   8.628  -0.393
  249   2HG   LYS  36          2HG       LYS  36  10.528  10.269  -0.055
  250   1HD   LYS  36          1HD       LYS  36  12.291   8.707   0.427
  251   2HD   LYS  36          2HD       LYS  36  11.755   9.477   1.924
  252   1HE   LYS  36          1HE       LYS  36  11.345   7.437   2.848
  253   2HE   LYS  36          2HE       LYS  36  10.144   7.103   1.608
  254   1HZ   LYS  36          1HZ       LYS  36  12.963   6.348   1.340
  255   2HZ   LYS  36          2HZ       LYS  36  11.573   5.412   1.515
  256   3HZ   LYS  36          3HZ       LYS  36  11.753   6.206   0.183
  257    H    ILE  37           H        ILE  37   6.342   7.752   1.087
  258    HA   ILE  37           HA       ILE  37   4.877   9.138   3.303
  259    HB   ILE  37           HB       ILE  37   2.767   7.925   2.396
  260   1HG1  ILE  37          1HG1      ILE  37   4.342   8.199  -0.198
  261   2HG1  ILE  37          2HG1      ILE  37   3.867   6.698   0.610
  262   1HG2  ILE  37          1HG2      ILE  37   3.186  10.422   2.602
  263   2HG2  ILE  37          2HG2      ILE  37   3.757  10.398   0.922
  264   3HG2  ILE  37          3HG2      ILE  37   2.082   9.966   1.316
  265   1HD1  ILE  37          1HD1      ILE  37   1.485   7.319   0.344
  266   2HD1  ILE  37          2HD1      ILE  37   1.978   8.782  -0.542
  267   3HD1  ILE  37          3HD1      ILE  37   2.351   7.200  -1.209
  268    H    ALA  38           H        ALA  38   6.815   6.654   2.748
  269    HA   ALA  38           HA       ALA  38   7.266   4.740   4.009
  270   1HB   ALA  38          1HB       ALA  38   7.835   5.551   6.265
  271   2HB   ALA  38          2HB       ALA  38   8.320   6.717   5.010
  272   3HB   ALA  38          3HB       ALA  38   6.862   7.008   5.993
  273    H    ILE  39           H        ILE  39   5.176   3.576   3.564
  274    HA   ILE  39           HA       ILE  39   3.093   3.914   5.584
  275    HB   ILE  39           HB       ILE  39   3.148   1.963   3.272
  276   1HG1  ILE  39          1HG1      ILE  39   2.526   4.925   3.497
  277   2HG1  ILE  39          2HG1      ILE  39   3.445   4.077   2.261
  278   1HG2  ILE  39          1HG2      ILE  39   1.534   1.549   5.133
  279   2HG2  ILE  39          2HG2      ILE  39   0.888   3.184   4.913
  280   3HG2  ILE  39          3HG2      ILE  39   0.730   1.965   3.622
  281   1HD1  ILE  39          1HD1      ILE  39   1.369   4.838   1.330
  282   2HD1  ILE  39          2HD1      ILE  39   1.256   3.070   1.473
  283   3HD1  ILE  39          3HD1      ILE  39   0.456   4.128   2.669
  284    H    ASP  40           H        ASP  40   3.221   2.989   7.433
  285    HA   ASP  40           HA       ASP  40   4.839   0.531   7.908
  286   1HB   ASP  40          1HB       ASP  40   4.517   1.352  10.363
  287   2HB   ASP  40          2HB       ASP  40   5.722   2.072   9.320
  288    H    LYS  41           H        LYS  41   3.990  -1.019   9.383
  289    HA   LYS  41           HA       LYS  41   1.632  -2.204   8.990
  290   1HB   LYS  41          1HB       LYS  41   3.368  -3.009  10.559
  291   2HB   LYS  41          2HB       LYS  41   2.823  -1.838  11.752
  292   1HG   LYS  41          1HG       LYS  41   0.472  -3.031  11.516
  293   2HG   LYS  41          2HG       LYS  41   1.346  -4.234  10.582
  294   1HD   LYS  41          1HD       LYS  41   1.278  -5.104  12.769
  295   2HD   LYS  41          2HD       LYS  41   2.923  -4.460  12.605
  296   1HE   LYS  41          1HE       LYS  41   2.170  -2.349  13.784
  297   2HE   LYS  41          2HE       LYS  41   0.548  -3.035  13.935
  298   1HZ   LYS  41          1HZ       LYS  41   3.004  -4.122  15.144
  299   2HZ   LYS  41          2HZ       LYS  41   1.829  -3.283  15.927
  300   3HZ   LYS  41          3HZ       LYS  41   1.496  -4.768  15.308
  301    H    LYS  42           H        LYS  42   2.064   0.357  11.415
  302    HA   LYS  42           HA       LYS  42  -0.286   0.830  12.612
  303   1HB   LYS  42          1HB       LYS  42   1.947   2.048  12.676
  304   2HB   LYS  42          2HB       LYS  42   1.462   2.862  11.188
  305   1HG   LYS  42          1HG       LYS  42  -0.674   3.464  12.764
  306   2HG   LYS  42          2HG       LYS  42   0.585   3.281  13.993
  307   1HD   LYS  42          1HD       LYS  42   0.547   5.123  11.560
  308   2HD   LYS  42          2HD       LYS  42   0.448   5.633  13.244
  309   1HE   LYS  42          1HE       LYS  42   2.723   5.718  13.444
  310   2HE   LYS  42          2HE       LYS  42   2.911   4.088  12.821
  311   1HZ   LYS  42          1HZ       LYS  42   2.668   4.983  10.566
  312   2HZ   LYS  42          2HZ       LYS  42   2.832   6.532  11.186
  313   3HZ   LYS  42          3HZ       LYS  42   3.992   5.338  11.300
  314    H    SER  43           H        SER  43   0.514   2.032   9.302
  315    HA   SER  43           HA       SER  43  -2.247   3.125   9.006
  316   1HB   SER  43          1HB       SER  43  -1.028   4.316   7.090
  317   2HB   SER  43          2HB       SER  43  -0.548   4.793   8.728
  318    HG   SER  43           HG       SER  43   1.396   3.683   8.479
  319    H    ALA  44           H        ALA  44   0.225   1.221   7.379
  320    HA   ALA  44           HA       ALA  44  -0.973   0.190   5.138
  321   1HB   ALA  44          1HB       ALA  44   0.182  -1.919   5.787
  322   2HB   ALA  44          2HB       ALA  44   1.251  -0.479   6.003
  323   3HB   ALA  44          3HB       ALA  44   0.481  -1.249   7.388
  324    H    HIS  45           H        HIS  45  -1.459  -0.912   8.499
  325    HA   HIS  45           HA       HIS  45  -3.500  -2.860   7.706
  326   1HB   HIS  45          1HB       HIS  45  -2.336  -2.133  10.431
  327   2HB   HIS  45          2HB       HIS  45  -3.543  -3.353  10.138
  328    HD1  HIS  45           HND      HIS  45  -2.204  -5.167  11.175
  329    HD2  HIS  45           HD       HIS  45  -0.593  -3.566   7.616
  330    HE1  HIS  45           HE       HIS  45  -0.694  -6.929  10.202
  331    H    LYS  46           H        LYS  46  -4.226  -0.255   7.095
  332    HA   LYS  46           HA       LYS  46  -6.529   0.245   6.871
  333   1HB   LYS  46          1HB       LYS  46  -7.279  -1.135   8.781
  334   2HB   LYS  46          2HB       LYS  46  -6.796   0.159   9.894
  335   1HG   LYS  46          1HG       LYS  46  -8.833   0.449   7.648
  336   2HG   LYS  46          2HG       LYS  46  -9.244  -0.028   9.288
  337   1HD   LYS  46          1HD       LYS  46  -8.118   2.689   8.466
  338   2HD   LYS  46          2HD       LYS  46  -9.754   2.292   8.917
  339   1HE   LYS  46          1HE       LYS  46  -9.280   2.853  11.014
  340   2HE   LYS  46          2HE       LYS  46  -8.308   1.385  11.151
  341   1HZ   LYS  46          1HZ       LYS  46  -7.330   4.044  10.270
  342   2HZ   LYS  46          2HZ       LYS  46  -7.053   3.404  11.756
  343   3HZ   LYS  46          3HZ       LYS  46  -6.393   2.749  10.401
  344    H    ASP  47           H        ASP  47  -5.911   2.083   6.092
  345    HA   ASP  47           HA       ASP  47  -6.641   4.326   6.597
  346   1HB   ASP  47          1HB       ASP  47  -3.965   4.279   8.054
  347   2HB   ASP  47          2HB       ASP  47  -4.674   5.729   7.338
  348    H    ALA  48           H        ALA  48  -3.674   2.776   5.769
  349    HA   ALA  48           HA       ALA  48  -3.809   4.074   3.055
  350   1HB   ALA  48          1HB       ALA  48  -1.557   3.028   2.773
  351   2HB   ALA  48          2HB       ALA  48  -1.643   4.280   4.033
  352   3HB   ALA  48          3HB       ALA  48  -1.596   2.576   4.502
  353    H    CYS  49           H        CYS  49  -2.473   0.964   3.746
  354    HA   CYS  49           HA       CYS  49  -3.348   0.187   1.176
  355   1HB   CYS  49          1HB       CYS  49  -2.347  -1.761   3.234
  356   2HB   CYS  49          2HB       CYS  49  -2.226  -1.898   1.496
  357    H    LYS  50           H        LYS  50  -4.215  -1.380   4.318
  358    HA   LYS  50           HA       LYS  50  -6.182  -3.047   3.129
  359   1HB   LYS  50          1HB       LYS  50  -5.932  -2.103   6.008
  360   2HB   LYS  50          2HB       LYS  50  -7.120  -3.280   5.432
  361   1HG   LYS  50          1HG       LYS  50  -5.215  -4.666   4.517
  362   2HG   LYS  50          2HG       LYS  50  -4.102  -3.575   5.373
  363   1HD   LYS  50          1HD       LYS  50  -5.347  -4.196   7.528
  364   2HD   LYS  50          2HD       LYS  50  -6.348  -5.276   6.572
  365   1HE   LYS  50          1HE       LYS  50  -4.667  -6.604   7.669
  366   2HE   LYS  50          2HE       LYS  50  -4.367  -6.628   5.928
  367   1HZ   LYS  50          1HZ       LYS  50  -2.582  -5.037   6.284
  368   2HZ   LYS  50          2HZ       LYS  50  -2.966  -4.920   7.873
  369   3HZ   LYS  50          3HZ       LYS  50  -2.318  -6.283   7.283
  370    H    THR  51           H        THR  51  -6.434   0.357   4.143
  371    HA   THR  51           HA       THR  51  -9.348   0.336   4.222
  372    HB   THR  51           HB       THR  51  -7.400   2.669   3.913
  373    HG1  THR  51           HG1      THR  51  -8.040   2.835   6.175
  374   1HG2  THR  51          1HG2      THR  51 -10.359   2.606   4.671
  375   2HG2  THR  51          2HG2      THR  51  -9.296   4.029   4.749
  376   3HG2  THR  51          3HG2      THR  51  -9.681   3.306   3.186
  377    H    CYS  52           H        CYS  52  -6.870   1.491   1.899
  378    HA   CYS  52           HA       CYS  52  -8.729   2.419  -0.030
  379   1HB   CYS  52          1HB       CYS  52  -6.214   2.820   0.396
  380   2HB   CYS  52          2HB       CYS  52  -5.957   1.408  -0.631
  381    H    HIS  53           H        HIS  53  -7.022  -0.713   0.357
  382    HA   HIS  53           HA       HIS  53  -8.246  -2.023  -1.877
  383   1HB   HIS  53          1HB       HIS  53  -7.207  -3.069   0.772
  384   2HB   HIS  53          2HB       HIS  53  -7.813  -4.086  -0.548
  385    HD1  HIS  53           HND      HIS  53  -5.166  -5.022  -0.245
  386    HD2  HIS  53           HD       HIS  53  -5.878  -1.396  -2.248
  387    HE1  HIS  53           HE       HIS  53  -3.123  -4.517  -1.668
  388    H    LYS  54           H        LYS  54  -9.342  -1.860   1.596
  389    HA   LYS  54           HA       LYS  54 -11.828  -3.259   1.106
  390   1HB   LYS  54          1HB       LYS  54 -10.859  -1.542   3.397
  391   2HB   LYS  54          2HB       LYS  54 -12.430  -2.342   3.362
  392   1HG   LYS  54          1HG       LYS  54 -11.490  -4.523   3.226
  393   2HG   LYS  54          2HG       LYS  54  -9.839  -3.895   3.044
  394   1HD   LYS  54          1HD       LYS  54  -9.926  -2.818   5.223
  395   2HD   LYS  54          2HD       LYS  54 -11.607  -3.287   5.462
  396   1HE   LYS  54          1HE       LYS  54  -9.247  -5.227   5.205
  397   2HE   LYS  54          2HE       LYS  54  -9.960  -4.695   6.735
  398   1HZ   LYS  54          1HZ       LYS  54 -11.354  -6.231   4.643
  399   2HZ   LYS  54          2HZ       LYS  54 -10.841  -6.799   6.096
  400   3HZ   LYS  54          3HZ       LYS  54 -12.045  -5.682   6.034
  401    H    SER  55           H        SER  55 -12.260  -1.991  -0.800
  402    HA   SER  55           HA       SER  55 -14.442  -0.207  -0.662
  403   1HB   SER  55          1HB       SER  55 -12.679   1.458   0.089
  404   2HB   SER  55          2HB       SER  55 -11.808   1.169  -1.423
  405    HG   SER  55           HG       SER  55 -13.789   1.873  -2.490
  406    H    ASN  56           H        ASN  56 -11.452  -1.144  -2.379
  407    HA   ASN  56           HA       ASN  56 -12.814  -1.456  -4.986
  408   1HB   ASN  56          1HB       ASN  56  -9.957  -1.986  -4.020
  409   2HB   ASN  56          2HB       ASN  56 -10.554  -2.291  -5.655
  410   1HD2  ASN  56          1HD2      ASN  56  -9.745   0.325  -3.276
  411   2HD2  ASN  56          2HD2      ASN  56  -9.765   1.567  -4.504
  412    H    ASN  57           H        ASN  57 -10.859  -3.507  -2.803
  413    HA   ASN  57           HA       ASN  57 -12.643  -5.486  -2.156
  414   1HB   ASN  57          1HB       ASN  57 -12.622  -6.206  -4.564
  415   2HB   ASN  57          2HB       ASN  57 -10.859  -6.335  -4.500
  416   1HD2  ASN  57          1HD2      ASN  57  -9.944  -8.225  -3.502
  417   2HD2  ASN  57          2HD2      ASN  57 -10.964  -9.507  -2.870
  418    H    GLY  58           H        GLY  58 -11.413  -6.995  -0.652
  419   1HA   GLY  58          1HA       GLY  58  -8.515  -6.584  -0.549
  420   2HA   GLY  58          2HA       GLY  58  -9.430  -5.926   0.819
  421    HA   PRO  59           HA       PRO  59  -8.940 -10.708   1.110
  422   1HB   PRO  59          1HB       PRO  59  -6.400 -11.195   1.970
  423   2HB   PRO  59          2HB       PRO  59  -6.762 -10.937   0.240
  424   1HG   PRO  59          1HG       PRO  59  -5.773  -8.873   2.236
  425   2HG   PRO  59          2HG       PRO  59  -5.085  -9.260   0.629
  426   1HD   PRO  59          1HD       PRO  59  -6.820  -7.197   0.981
  427   2HD   PRO  59          2HD       PRO  59  -6.859  -8.207  -0.497
  428    H    THR  60           H        THR  60  -8.822 -11.917   3.109
  429    HA   THR  60           HA       THR  60  -8.795 -10.327   5.632
  430    HB   THR  60           HB       THR  60 -11.024 -11.490   6.095
  431    HG1  THR  60           HG1      THR  60 -10.886 -13.062   4.454
  432   1HG2  THR  60          1HG2      THR  60 -10.888  -9.099   5.358
  433   2HG2  THR  60          2HG2      THR  60 -11.101  -9.640   3.675
  434   3HG2  THR  60          3HG2      THR  60 -12.379  -9.930   4.862
  435    H    LYS  61           H        LYS  61  -6.837 -12.278   4.572
  436    HA   LYS  61           HA       LYS  61  -6.843 -14.061   6.869
  437   1HB   LYS  61          1HB       LYS  61  -7.930 -14.900   4.328
  438   2HB   LYS  61          2HB       LYS  61  -6.397 -15.725   4.483
  439   1HG   LYS  61          1HG       LYS  61  -8.678 -15.738   6.505
  440   2HG   LYS  61          2HG       LYS  61  -8.260 -17.019   5.358
  441   1HD   LYS  61          1HD       LYS  61  -5.888 -16.983   6.508
  442   2HD   LYS  61          2HD       LYS  61  -6.665 -16.035   7.768
  443   1HE   LYS  61          1HE       LYS  61  -6.705 -18.268   8.556
  444   2HE   LYS  61          2HE       LYS  61  -8.365 -17.884   8.082
  445   1HZ   LYS  61          1HZ       LYS  61  -7.960 -19.088   6.021
  446   2HZ   LYS  61          2HZ       LYS  61  -6.412 -19.414   6.477
  447   3HZ   LYS  61          3HZ       LYS  61  -7.670 -20.052   7.319
  448    H    CYS  62           H        CYS  62  -5.251 -11.879   6.013
  449    HA   CYS  62           HA       CYS  62  -3.267 -11.140   5.435
  450   1HB   CYS  62          1HB       CYS  62  -1.992 -13.701   6.351
  451   2HB   CYS  62          2HB       CYS  62  -1.345 -12.045   6.396
  452    H    GLY  63           H        GLY  63  -0.913 -12.531   4.505
  453   1HA   GLY  63          1HA       GLY  63   0.061 -13.477   2.681
  454   2HA   GLY  63          2HA       GLY  63  -1.442 -14.376   2.444
  455    H    GLY  64           H        GLY  64  -1.917 -10.995   2.358
  456   1HA   GLY  64          1HA       GLY  64  -2.493 -11.063  -0.519
  457   2HA   GLY  64          2HA       GLY  64  -2.872  -9.798   0.656
  458    H    CYS  65           H        CYS  65  -0.151  -9.586   1.659
  459    HA   CYS  65           HA       CYS  65   0.945  -7.814  -0.501
  460   1HB   CYS  65          1HB       CYS  65   0.584  -7.136   2.418
  461   2HB   CYS  65          2HB       CYS  65   1.030  -6.046   1.105
  462    H    HIS  66           H        HIS  66   1.532  -8.999   2.826
  463    HA   HIS  66           HA       HIS  66   4.368  -9.232   2.708
  464   1HB   HIS  66          1HB       HIS  66   2.298 -10.978   4.134
  465   2HB   HIS  66          2HB       HIS  66   4.016 -10.934   4.454
  466    HD1  HIS  66           HND      HIS  66   4.996  -8.586   5.478
  467    HD2  HIS  66           HD       HIS  66   0.814  -9.087   5.422
  468    HE1  HIS  66           HE       HIS  66   3.993  -6.839   7.037
  469    H    ILE  67           H        ILE  67   5.510 -10.552   1.276
  470    HA   ILE  67           HA       ILE  67   4.142 -12.865   0.028
  471    HB   ILE  67           HB       ILE  67   7.069 -12.106  -0.179
  472   1HG1  ILE  67          1HG1      ILE  67   5.887 -10.099  -0.823
  473   2HG1  ILE  67          2HG1      ILE  67   6.529 -10.899  -2.247
  474   1HG2  ILE  67          1HG2      ILE  67   5.172 -13.712  -1.954
  475   2HG2  ILE  67          2HG2      ILE  67   6.834 -13.261  -2.393
  476   3HG2  ILE  67          3HG2      ILE  67   6.536 -14.343  -1.030
  477   1HD1  ILE  67          1HD1      ILE  67   4.281 -10.021  -2.651
  478   2HD1  ILE  67          2HD1      ILE  67   4.271 -11.784  -2.791
  479   3HD1  ILE  67          3HD1      ILE  67   3.615 -10.996  -1.336
  480    H    LYS  68           H        LYS  68   3.780 -13.308   2.577
  481    HA   LYS  68           HA       LYS  68   4.966 -15.631   3.514
  482   1HB   LYS  68          1HB       LYS  68   6.681 -13.240   3.865
  483   2HB   LYS  68          2HB       LYS  68   6.249 -13.985   5.400
  484   1HG   LYS  68          1HG       LYS  68   7.221 -16.072   4.821
  485   2HG   LYS  68          2HG       LYS  68   7.511 -15.562   3.143
  486   1HD   LYS  68          1HD       LYS  68   8.936 -13.703   3.932
  487   2HD   LYS  68          2HD       LYS  68   8.660 -14.192   5.623
  488   1HE   LYS  68          1HE       LYS  68   9.822 -16.327   5.208
  489   2HE   LYS  68          2HE       LYS  68  10.013 -15.918   3.491
  490   1HZ   LYS  68          1HZ       LYS  68  11.379 -14.060   4.132
  491   2HZ   LYS  68          2HZ       LYS  68  11.193 -14.405   5.732
  492   3HZ   LYS  68          3HZ       LYS  68  12.003 -15.449   4.750
  493    HHA  HEC  69           HCM      HEC  69   8.431   7.507  -2.184
  494    HHB  HEC  69           HDM      HEC  69   6.225  10.933  -7.116
  495    HHC  HEC  69           HAM      HEC  69   1.352   6.815  -7.661
  496    HHD  HEC  69           HBM      HEC  69   2.842   4.471  -1.943
  497   1HMA  HEC  69          HM81      HEC  69   8.319  12.114  -5.780
  498   2HMA  HEC  69          HM82      HEC  69   9.794  11.131  -5.857
  499   3HMA  HEC  69          HM83      HEC  69   8.594  10.997  -7.141
  500   1HAA  HEC  69          HP71      HEC  69  10.158   8.553  -3.085
  501   2HAA  HEC  69          HP72      HEC  69  10.631   9.314  -4.583
  502   1HBA  HEC  69          HP73      HEC  69  10.023  11.547  -3.635
  503   2HBA  HEC  69          HP74      HEC  69   9.591  10.747  -2.131
  504   1HMB  HEC  69          HM11      HEC  69   3.419  11.367  -9.582
  505   2HMB  HEC  69          HM12      HEC  69   4.461  11.965  -8.299
  506   3HMB  HEC  69          HM13      HEC  69   5.133  10.906  -9.568
  507    HAB  HEC  69          HT2A      HEC  69   1.239   8.161  -9.250
  508   1HBB  HEC  69          HT21      HEC  69   3.104   9.672 -11.080
  509   2HBB  HEC  69          HT22      HEC  69   3.175   7.924 -10.785
  510   3HBB  HEC  69          HT23      HEC  69   1.716   8.656 -11.499
  511   1HMC  HEC  69          HM31      HEC  69  -0.584   6.100  -6.604
  512   2HMC  HEC  69          HM32      HEC  69   0.087   4.537  -7.126
  513   3HMC  HEC  69          HM33      HEC  69  -0.953   4.652  -5.694
  514    HAC  HEC  69          HT4A      HEC  69   0.862   3.941  -2.314
  515   1HBC  HEC  69          HT41      HEC  69  -0.876   2.862  -4.515
  516   2HBC  HEC  69          HT42      HEC  69   0.779   2.238  -4.286
  517   3HBC  HEC  69          HT43      HEC  69  -0.421   2.150  -2.984
  518   1HMD  HEC  69          HM51      HEC  69   5.506   3.443  -0.135
  519   2HMD  HEC  69          HM52      HEC  69   5.166   4.826   0.896
  520   3HMD  HEC  69          HM53      HEC  69   3.860   4.119  -0.071
  521   1HAD  HEC  69          HP61      HEC  69   8.374   6.565  -0.351
  522   2HAD  HEC  69          HP62      HEC  69   7.307   5.745   0.729
  523   1HBD  HEC  69          HP63      HEC  69   8.021   3.619   0.058
  524   2HBD  HEC  69          HP64      HEC  69   8.516   4.197  -1.544
  525    HHA  HEC  70           HCM      HEC  70  -3.747  -5.178  -6.614
  526    HHB  HEC  70           HDM      HEC  70   0.279  -4.552  -1.674
  527    HHC  HEC  70           HAM      HEC  70  -2.036   1.316  -0.621
  528    HHD  HEC  70           HBM      HEC  70  -6.449   0.406  -5.081
  529   1HMA  HEC  70          HM81      HEC  70   0.456  -7.292  -4.377
  530   2HMA  HEC  70          HM82      HEC  70   1.131  -6.123  -3.239
  531   3HMA  HEC  70          HM83      HEC  70  -0.108  -7.284  -2.692
  532   1HAA  HEC  70          HP71      HEC  70  -1.671  -7.982  -5.117
  533   2HAA  HEC  70          HP72      HEC  70  -3.157  -7.266  -5.711
  534   1HBA  HEC  70          HP73      HEC  70  -1.856  -6.254  -7.612
  535   2HBA  HEC  70          HP74      HEC  70  -0.428  -7.126  -7.031
  536   1HMB  HEC  70          HM11      HEC  70   0.809  -2.539   1.458
  537   2HMB  HEC  70          HM12      HEC  70   0.237  -3.981   0.629
  538   3HMB  HEC  70          HM13      HEC  70   1.743  -3.200   0.102
  539    HAB  HEC  70          HT2A      HEC  70  -0.443   1.043   0.672
  540   1HBB  HEC  70          HT21      HEC  70   2.024  -0.704   0.879
  541   2HBB  HEC  70          HT22      HEC  70   1.789   0.725  -0.131
  542   3HBB  HEC  70          HT23      HEC  70   1.804   0.871   1.636
  543   1HMC  HEC  70          HM31      HEC  70  -2.632   3.361  -1.558
  544   2HMC  HEC  70          HM32      HEC  70  -4.155   4.062  -2.100
  545   3HMC  HEC  70          HM33      HEC  70  -4.073   3.189  -0.552
  546    HAC  HEC  70          HT4A      HEC  70  -7.219   1.685  -3.359
  547   1HBC  HEC  70          HT41      HEC  70  -5.644   4.083  -4.325
  548   2HBC  HEC  70          HT42      HEC  70  -6.423   2.833  -5.328
  549   3HBC  HEC  70          HT43      HEC  70  -7.414   3.952  -4.383
  550   1HMD  HEC  70          HM51      HEC  70  -8.018  -2.255  -7.245
  551   2HMD  HEC  70          HM52      HEC  70  -7.958  -0.897  -6.121
  552   3HMD  HEC  70          HM53      HEC  70  -7.236  -0.739  -7.736
  553   1HAD  HEC  70          HP61      HEC  70  -4.687  -4.217  -8.416
  554   2HAD  HEC  70          HP62      HEC  70  -6.387  -4.523  -8.046
  555   1HBD  HEC  70          HP63      HEC  70  -7.087  -2.705  -9.354
  556   2HBD  HEC  70          HP64      HEC  70  -5.589  -1.798  -9.076
  557    HHA  HEC  71           HCM      HEC  71   4.292  -4.055   8.720
  558    HHB  HEC  71           HDM      HEC  71   1.565  -9.374  10.969
  559    HHC  HEC  71           HAM      HEC  71  -2.522  -9.289   6.081
  560    HHD  HEC  71           HBM      HEC  71   0.406  -4.207   3.676
  561   1HMA  HEC  71          HM81      HEC  71   4.187  -8.879  11.902
  562   2HMA  HEC  71          HM82      HEC  71   4.203  -7.383  12.824
  563   3HMA  HEC  71          HM83      HEC  71   2.700  -8.303  12.699
  564   1HAA  HEC  71          HP71      HEC  71   5.102  -4.416  10.745
  565   2HAA  HEC  71          HP72      HEC  71   5.223  -5.609  12.009
  566   1HBA  HEC  71          HP73      HEC  71   6.241  -6.176   9.216
  567   2HBA  HEC  71          HP74      HEC  71   7.177  -5.203  10.359
  568   1HMB  HEC  71          HM11      HEC  71  -1.096 -12.015  10.328
  569   2HMB  HEC  71          HM12      HEC  71   0.583 -11.549  10.602
  570   3HMB  HEC  71          HM13      HEC  71  -0.719 -10.722  11.486
  571    HAB  HEC  71          HT2A      HEC  71  -3.495 -10.291   7.674
  572   1HBB  HEC  71          HT21      HEC  71  -3.745  -9.342   9.901
  573   2HBB  HEC  71          HT22      HEC  71  -4.666 -10.838   9.661
  574   3HBB  HEC  71          HT23      HEC  71  -3.176 -10.866  10.614
  575   1HMC  HEC  71          HM31      HEC  71  -3.086  -8.064   2.626
  576   2HMC  HEC  71          HM32      HEC  71  -2.611  -9.323   3.772
  577   3HMC  HEC  71          HM33      HEC  71  -3.939  -8.221   4.177
  578    HAC  HEC  71          HT4A      HEC  71  -1.149  -4.634   2.393
  579   1HBC  HEC  71          HT41      HEC  71  -3.323  -4.596   1.404
  580   2HBC  HEC  71          HT42      HEC  71  -3.892  -5.877   2.494
  581   3HBC  HEC  71          HT43      HEC  71  -3.384  -4.293   3.137
  582   1HMD  HEC  71          HM51      HEC  71   3.239  -1.829   3.932
  583   2HMD  HEC  71          HM52      HEC  71   2.167  -2.987   3.156
  584   3HMD  HEC  71          HM53      HEC  71   1.505  -1.690   4.108
  585   1HAD  HEC  71          HP61      HEC  71   4.608  -1.865   5.495
  586   2HAD  HEC  71          HP62      HEC  71   4.104  -1.510   7.105
  587   1HBD  HEC  71          HP63      HEC  71   5.734  -3.993   6.836
  588   2HBD  HEC  71          HP64      HEC  71   6.506  -2.554   6.186
  Start of MODEL   28
    1   1H    ALA   1          1H        ALA   1  10.410   3.956 -10.909
    2   2H    ALA   1          2H        ALA   1  11.472   5.158 -10.440
    3   3H    ALA   1          3H        ALA   1  11.541   3.616  -9.833
    4    HA   ALA   1           HA       ALA   1  10.491   4.660  -8.096
    5   1HB   ALA   1          1HB       ALA   1  10.297   6.849  -9.189
    6   2HB   ALA   1          2HB       ALA   1   8.959   6.254 -10.196
    7   3HB   ALA   1          3HB       ALA   1   8.763   6.386  -8.434
    8    H    ASP   2           H        ASP   2  10.106   2.169  -8.613
    9    HA   ASP   2           HA       ASP   2   7.319   1.650  -9.384
   10   1HB   ASP   2          1HB       ASP   2   9.858   0.259 -10.320
   11   2HB   ASP   2          2HB       ASP   2   8.214  -0.140 -10.832
   12    H    VAL   3           H        VAL   3   8.455  -1.297  -9.210
   13    HA   VAL   3           HA       VAL   3   7.080  -1.778  -6.794
   14    HB   VAL   3           HB       VAL   3   7.915  -4.076  -6.943
   15   1HG1  VAL   3          1HG1      VAL   3   5.985  -3.397  -8.257
   16   2HG1  VAL   3          2HG1      VAL   3   7.021  -2.922  -9.621
   17   3HG1  VAL   3          3HG1      VAL   3   6.915  -4.621  -9.123
   18   1HG2  VAL   3          1HG2      VAL   3  10.211  -3.780  -7.726
   19   2HG2  VAL   3          2HG2      VAL   3   9.315  -4.782  -8.867
   20   3HG2  VAL   3          3HG2      VAL   3   9.642  -3.086  -9.260
   21    H    VAL   4           H        VAL   4   7.629  -1.794  -4.635
   22    HA   VAL   4           HA       VAL   4  10.509  -1.860  -3.915
   23    HB   VAL   4           HB       VAL   4   8.450   0.120  -2.900
   24   1HG1  VAL   4          1HG1      VAL   4   9.676  -0.768  -0.937
   25   2HG1  VAL   4          2HG1      VAL   4  11.214  -0.595  -1.789
   26   3HG1  VAL   4          3HG1      VAL   4  10.281   0.840  -1.320
   27   1HG2  VAL   4          1HG2      VAL   4  10.192   1.776  -3.511
   28   2HG2  VAL   4          2HG2      VAL   4  11.214   0.465  -4.140
   29   3HG2  VAL   4          3HG2      VAL   4   9.667   0.850  -4.923
   30    H    THR   5           H        THR   5  10.819  -2.850  -1.903
   31    HA   THR   5           HA       THR   5   8.441  -3.227  -0.397
   32    HB   THR   5           HB       THR   5   8.730  -5.534  -1.199
   33    HG1  THR   5           HG1      THR   5  10.081  -5.285   1.275
   34   1HG2  THR   5          1HG2      THR   5  10.988  -5.473  -2.102
   35   2HG2  THR   5          2HG2      THR   5  11.679  -5.294  -0.473
   36   3HG2  THR   5          3HG2      THR   5  10.856  -6.795  -0.937
   37    H    TYR   6           H        TYR   6   8.706  -3.298   1.672
   38    HA   TYR   6           HA       TYR   6  10.840  -1.619   2.754
   39   1HB   TYR   6          1HB       TYR   6   8.403  -2.964   3.889
   40   2HB   TYR   6          2HB       TYR   6   9.401  -1.861   4.828
   41    HD1  TYR   6           HD1      TYR   6   9.917   0.442   3.202
   42    HD2  TYR   6           HD2      TYR   6   6.369  -1.999   3.250
   43    HE1  TYR   6           HE1      TYR   6   8.591   2.326   2.301
   44    HE2  TYR   6           HE2      TYR   6   5.042  -0.093   2.438
   45    HH   TYR   6           HH       TYR   6   5.073   2.069   1.826
   46    H    GLU   7           H        GLU   7   9.623  -4.906   3.219
   47    HA   GLU   7           HA       GLU   7  10.770  -6.868   3.651
   48   1HB   GLU   7          1HB       GLU   7  12.930  -5.594   3.240
   49   2HB   GLU   7          2HB       GLU   7  12.962  -5.401   5.015
   50   1HG   GLU   7          1HG       GLU   7  13.109  -8.003   3.459
   51   2HG   GLU   7          2HG       GLU   7  14.464  -7.145   4.171
   52    H    ASN   8           H        ASN   8  10.636  -8.115   5.661
   53    HA   ASN   8           HA       ASN   8   9.796  -6.857   8.112
   54   1HB   ASN   8          1HB       ASN   8   7.615  -7.902   6.247
   55   2HB   ASN   8          2HB       ASN   8   7.402  -7.712   7.986
   56   1HD2  ASN   8          1HD2      ASN   8   7.530  -6.057   4.939
   57   2HD2  ASN   8          2HD2      ASN   8   7.296  -4.426   5.587
   58    H    LYS   9           H        LYS   9   9.224  -8.420   9.697
   59    HA   LYS   9           HA       LYS   9  10.303 -11.139   9.045
   60   1HB   LYS   9          1HB       LYS   9  10.065  -9.460  11.547
   61   2HB   LYS   9          2HB       LYS   9  10.248 -11.214  11.645
   62   1HG   LYS   9          1HG       LYS   9  12.438 -10.453  11.820
   63   2HG   LYS   9          2HG       LYS   9  12.267 -11.083  10.180
   64   1HD   LYS   9          1HD       LYS   9  11.717  -8.380   9.792
   65   2HD   LYS   9          2HD       LYS   9  12.805  -8.289  11.151
   66   1HE   LYS   9          1HE       LYS   9  13.299  -9.636   8.432
   67   2HE   LYS   9          2HE       LYS   9  13.947  -8.085   8.965
   68   1HZ   LYS   9          1HZ       LYS   9  15.540  -9.819   9.152
   69   2HZ   LYS   9          2HZ       LYS   9  15.205  -9.204  10.641
   70   3HZ   LYS   9          3HZ       LYS   9  14.596 -10.672  10.198
   71    H    LYS  10           H        LYS  10   7.631 -10.071   8.380
   72    HA   LYS  10           HA       LYS  10   6.328 -12.635   9.159
   73   1HB   LYS  10          1HB       LYS  10   4.637 -10.544   7.777
   74   2HB   LYS  10          2HB       LYS  10   4.180 -11.894   8.769
   75   1HG   LYS  10          1HG       LYS  10   5.201  -9.159   9.483
   76   2HG   LYS  10          2HG       LYS  10   3.644  -9.854   9.878
   77   1HD   LYS  10          1HD       LYS  10   6.322 -10.259  11.211
   78   2HD   LYS  10          2HD       LYS  10   4.832  -9.779  11.941
   79   1HE   LYS  10          1HE       LYS  10   4.074 -11.910  12.289
   80   2HE   LYS  10          2HE       LYS  10   4.763 -12.551  10.805
   81   1HZ   LYS  10          1HZ       LYS  10   6.932 -12.465  11.782
   82   2HZ   LYS  10          2HZ       LYS  10   6.317 -11.937  13.214
   83   3HZ   LYS  10          3HZ       LYS  10   5.922 -13.435  12.647
   84    H    GLY  11           H        GLY  11   6.001 -10.343   6.446
   85   1HA   GLY  11          1HA       GLY  11   7.606 -11.963   4.644
   86   2HA   GLY  11          2HA       GLY  11   5.869 -11.855   4.260
   87    H    ASN  12           H        ASN  12   8.432 -10.610   3.184
   88    HA   ASN  12           HA       ASN  12   8.725  -7.785   3.474
   89   1HB   ASN  12          1HB       ASN  12   9.037  -9.737   1.133
   90   2HB   ASN  12          2HB       ASN  12   9.506  -8.049   1.050
   91   1HD2  ASN  12          1HD2      ASN  12   9.928  -9.616   4.193
   92   2HD2  ASN  12          2HD2      ASN  12  11.641  -9.541   4.167
   93    H    VAL  13           H        VAL  13   7.531  -6.136   2.737
   94    HA   VAL  13           HA       VAL  13   4.783  -6.618   1.773
   95    HB   VAL  13           HB       VAL  13   6.360  -4.313   2.965
   96   1HG1  VAL  13          1HG1      VAL  13   4.961  -3.191   1.275
   97   2HG1  VAL  13          2HG1      VAL  13   3.553  -4.139   1.790
   98   3HG1  VAL  13          3HG1      VAL  13   4.332  -2.944   2.873
   99   1HG2  VAL  13          1HG2      VAL  13   3.722  -5.587   3.814
  100   2HG2  VAL  13          2HG2      VAL  13   5.293  -6.174   4.375
  101   3HG2  VAL  13          3HG2      VAL  13   4.792  -4.523   4.756
  102    H    THR  14           H        THR  14   5.085  -7.209  -0.416
  103    HA   THR  14           HA       THR  14   6.691  -5.444  -2.148
  104    HB   THR  14           HB       THR  14   6.641  -7.819  -2.566
  105    HG1  THR  14           HG1      THR  14   5.421  -6.415  -4.689
  106   1HG2  THR  14          1HG2      THR  14   4.791  -8.987  -3.535
  107   2HG2  THR  14          2HG2      THR  14   4.250  -8.331  -1.978
  108   3HG2  THR  14          3HG2      THR  14   3.752  -7.557  -3.495
  109    H    PHE  15           H        PHE  15   5.953  -3.454  -2.671
  110    HA   PHE  15           HA       PHE  15   3.042  -3.145  -3.244
  111   1HB   PHE  15          1HB       PHE  15   2.969  -1.029  -2.215
  112   2HB   PHE  15          2HB       PHE  15   3.614  -2.165  -1.055
  113    HD1  PHE  15           HD1      PHE  15   4.240   0.923  -2.901
  114    HD2  PHE  15           HD2      PHE  15   6.070  -2.163  -0.507
  115    HE1  PHE  15           HE1      PHE  15   5.961   2.533  -2.122
  116    HE2  PHE  15           HE2      PHE  15   7.740  -0.538   0.311
  117    HZ   PHE  15           HZ       PHE  15   7.619   1.826  -0.395
  118    H    ASP  16           H        ASP  16   2.614  -2.332  -5.182
  119    HA   ASP  16           HA       ASP  16   4.914  -1.716  -6.941
  120   1HB   ASP  16          1HB       ASP  16   3.416  -3.599  -7.500
  121   2HB   ASP  16          2HB       ASP  16   2.094  -2.448  -7.730
  122    H    HIS  17           H        HIS  17   5.324   0.339  -6.449
  123    HA   HIS  17           HA       HIS  17   3.629   2.483  -5.980
  124   1HB   HIS  17          1HB       HIS  17   6.106   2.313  -5.613
  125   2HB   HIS  17          2HB       HIS  17   6.356   2.469  -7.354
  126    HD1  HIS  17           HND      HIS  17   6.496   4.881  -8.292
  127    HD2  HIS  17           HD       HIS  17   4.855   4.522  -4.442
  128    HE1  HIS  17           HE       HIS  17   6.112   7.268  -7.412
  129    H    LYS  18           H        LYS  18   5.374   1.940  -9.039
  130    HA   LYS  18           HA       LYS  18   4.033   3.822 -10.645
  131   1HB   LYS  18          1HB       LYS  18   5.727   3.410 -11.889
  132   2HB   LYS  18          2HB       LYS  18   6.175   2.072 -10.953
  133   1HG   LYS  18          1HG       LYS  18   4.067   1.689 -13.038
  134   2HG   LYS  18          2HG       LYS  18   5.789   1.764 -13.387
  135   1HD   LYS  18          1HD       LYS  18   6.391  -0.146 -12.382
  136   2HD   LYS  18          2HD       LYS  18   5.223   0.034 -11.095
  137   1HE   LYS  18          1HE       LYS  18   3.394  -0.594 -12.809
  138   2HE   LYS  18          2HE       LYS  18   4.704  -1.000 -13.921
  139   1HZ   LYS  18          1HZ       LYS  18   4.251  -2.209 -11.240
  140   2HZ   LYS  18          2HZ       LYS  18   3.902  -2.917 -12.653
  141   3HZ   LYS  18          3HZ       LYS  18   5.468  -2.612 -12.249
  142    H    ALA  19           H        ALA  19   3.299   0.280 -10.331
  143    HA   ALA  19           HA       ALA  19   1.081   0.281 -12.074
  144   1HB   ALA  19          1HB       ALA  19   0.177  -1.546 -10.738
  145   2HB   ALA  19          2HB       ALA  19   1.911  -1.762 -11.054
  146   3HB   ALA  19          3HB       ALA  19   1.335  -1.146  -9.456
  147    H    HIS  20           H        HIS  20   1.095   0.906  -8.494
  148    HA   HIS  20           HA       HIS  20  -1.729   1.387  -8.322
  149   1HB   HIS  20          1HB       HIS  20   0.658   2.176  -6.613
  150   2HB   HIS  20          2HB       HIS  20  -0.959   2.783  -6.295
  151    HD1  HIS  20           HND      HIS  20   0.544  -0.754  -6.803
  152    HD2  HIS  20           HD       HIS  20  -2.317   1.388  -4.613
  153    HE1  HIS  20           HE       HIS  20  -0.714  -2.466  -5.312
  154    H    ALA  21           H        ALA  21   1.045   3.371  -9.204
  155    HA   ALA  21           HA       ALA  21  -0.352   5.904  -9.128
  156   1HB   ALA  21          1HB       ALA  21   2.144   5.660  -9.172
  157   2HB   ALA  21          2HB       ALA  21   2.038   5.254 -10.891
  158   3HB   ALA  21          3HB       ALA  21   1.470   6.833 -10.335
  159    H    GLU  22           H        GLU  22   0.340   3.741 -11.869
  160    HA   GLU  22           HA       GLU  22  -1.084   5.432 -13.743
  161   1HB   GLU  22          1HB       GLU  22  -0.631   3.752 -15.422
  162   2HB   GLU  22          2HB       GLU  22   0.811   4.086 -14.460
  163   1HG   GLU  22          1HG       GLU  22   0.242   2.012 -13.105
  164   2HG   GLU  22          2HG       GLU  22  -0.969   1.626 -14.340
  165    H    LYS  23           H        LYS  23  -1.897   2.403 -12.041
  166    HA   LYS  23           HA       LYS  23  -4.453   2.049 -13.239
  167   1HB   LYS  23          1HB       LYS  23  -3.386   1.184 -10.514
  168   2HB   LYS  23          2HB       LYS  23  -4.867   0.568 -11.241
  169   1HG   LYS  23          1HG       LYS  23  -2.167   0.353 -12.645
  170   2HG   LYS  23          2HG       LYS  23  -2.675  -0.854 -11.489
  171   1HD   LYS  23          1HD       LYS  23  -4.627  -0.116 -13.667
  172   2HD   LYS  23          2HD       LYS  23  -3.137  -0.893 -14.174
  173   1HE   LYS  23          1HE       LYS  23  -4.915  -2.574 -13.816
  174   2HE   LYS  23          2HE       LYS  23  -3.527  -2.832 -12.752
  175   1HZ   LYS  23          1HZ       LYS  23  -4.770  -1.763 -10.986
  176   2HZ   LYS  23          2HZ       LYS  23  -6.069  -1.558 -11.974
  177   3HZ   LYS  23          3HZ       LYS  23  -5.578  -3.074 -11.560
  178    H    LEU  24           H        LEU  24  -3.449   3.794 -10.271
  179    HA   LEU  24           HA       LEU  24  -6.284   4.482  -9.727
  180   1HB   LEU  24          1HB       LEU  24  -3.878   5.128  -8.025
  181   2HB   LEU  24          2HB       LEU  24  -5.580   5.124  -7.572
  182    HG   LEU  24           HG       LEU  24  -4.127   2.574  -8.433
  183   1HD1  LEU  24          1HD1      LEU  24  -3.852   2.037  -6.126
  184   2HD1  LEU  24          2HD1      LEU  24  -3.025   3.573  -6.461
  185   3HD1  LEU  24          3HD1      LEU  24  -4.565   3.575  -5.610
  186   1HD2  LEU  24          1HD2      LEU  24  -6.565   2.440  -8.594
  187   2HD2  LEU  24          2HD2      LEU  24  -5.935   1.488  -7.240
  188   3HD2  LEU  24          3HD2      LEU  24  -6.727   3.048  -6.928
  189    H    GLY  25           H        GLY  25  -3.085   6.255 -10.060
  190   1HA   GLY  25          1HA       GLY  25  -3.551   8.154 -11.698
  191   2HA   GLY  25          2HA       GLY  25  -4.534   8.818 -10.370
  192    H    CYS  26           H        CYS  26  -3.502   9.129  -8.320
  193    HA   CYS  26           HA       CYS  26  -0.737   8.918  -7.746
  194   1HB   CYS  26          1HB       CYS  26  -0.796  10.767  -9.746
  195   2HB   CYS  26          2HB       CYS  26  -1.329  11.808  -8.453
  196    H    ASP  27           H        ASP  27  -3.430  10.949  -7.667
  197    HA   ASP  27           HA       ASP  27  -3.682  12.322  -5.255
  198   1HB   ASP  27          1HB       ASP  27  -6.091  11.982  -5.738
  199   2HB   ASP  27          2HB       ASP  27  -5.199  12.534  -7.158
  200    H    ALA  28           H        ALA  28  -4.435   9.048  -6.169
  201    HA   ALA  28           HA       ALA  28  -5.585   7.739  -4.149
  202   1HB   ALA  28          1HB       ALA  28  -4.757   6.682  -6.170
  203   2HB   ALA  28          2HB       ALA  28  -3.072   6.897  -5.658
  204   3HB   ALA  28          3HB       ALA  28  -4.123   5.780  -4.773
  205    H    CYS  29           H        CYS  29  -2.175   8.722  -4.111
  206    HA   CYS  29           HA       CYS  29  -2.028   8.111  -1.170
  207   1HB   CYS  29          1HB       CYS  29   0.148   7.669  -3.184
  208   2HB   CYS  29          2HB       CYS  29   0.166   7.238  -1.462
  209    H    HIS  30           H        HIS  30  -0.918  10.203  -3.879
  210    HA   HIS  30           HA       HIS  30   0.337  12.047  -1.860
  211   1HB   HIS  30          1HB       HIS  30   1.090  11.648  -4.742
  212   2HB   HIS  30          2HB       HIS  30   1.799  12.787  -3.617
  213    HD1  HIS  30           HND      HIS  30   3.414  11.564  -1.636
  214    HD2  HIS  30           HD       HIS  30   2.081   9.359  -4.931
  215    HE1  HIS  30           HE       HIS  30   5.151   9.669  -2.087
  216    H    GLU  31           H        GLU  31  -1.236  13.470  -1.559
  217    HA   GLU  31           HA       GLU  31  -3.171  14.267  -3.578
  218   1HB   GLU  31          1HB       GLU  31  -2.483  15.824  -1.018
  219   2HB   GLU  31          2HB       GLU  31  -3.974  15.832  -1.967
  220   1HG   GLU  31          1HG       GLU  31  -4.070  13.336  -1.505
  221   2HG   GLU  31          2HG       GLU  31  -2.860  13.583  -0.238
  222    H    GLY  32           H        GLY  32  -0.544  15.837  -1.978
  223   1HA   GLY  32          1HA       GLY  32  -0.018  17.716  -4.283
  224   2HA   GLY  32          2HA       GLY  32   0.222  18.133  -2.578
  225    H    THR  33           H        THR  33   2.426  18.485  -2.648
  226    HA   THR  33           HA       THR  33   4.416  17.364  -4.008
  227    HB   THR  33           HB       THR  33   4.620  18.047  -1.050
  228    HG1  THR  33           HG1      THR  33   4.581  20.211  -1.781
  229   1HG2  THR  33          1HG2      THR  33   6.425  18.666  -3.442
  230   2HG2  THR  33          2HG2      THR  33   6.736  19.102  -1.749
  231   3HG2  THR  33          3HG2      THR  33   6.730  17.397  -2.234
  232    HA   PRO  34           HA       PRO  34   3.826  13.246  -2.633
  233   1HB   PRO  34          1HB       PRO  34   5.829  11.841  -3.939
  234   2HB   PRO  34          2HB       PRO  34   4.288  12.381  -4.659
  235   1HG   PRO  34          1HG       PRO  34   6.960  13.739  -4.760
  236   2HG   PRO  34          2HG       PRO  34   5.773  13.500  -6.086
  237   1HD   PRO  34          1HD       PRO  34   5.982  15.875  -4.764
  238   2HD   PRO  34          2HD       PRO  34   4.382  15.239  -5.263
  239    H    ALA  35           H        ALA  35   7.250  14.151  -2.667
  240    HA   ALA  35           HA       ALA  35   8.993  13.912  -1.249
  241   1HB   ALA  35          1HB       ALA  35   8.580  15.142   0.817
  242   2HB   ALA  35          2HB       ALA  35   7.687  15.875  -0.524
  243   3HB   ALA  35          3HB       ALA  35   6.831  14.863   0.661
  244    H    LYS  36           H        LYS  36   7.567  11.383  -1.406
  245    HA   LYS  36           HA       LYS  36   7.200   9.444  -0.591
  246   1HB   LYS  36          1HB       LYS  36   8.851   8.326   0.681
  247   2HB   LYS  36          2HB       LYS  36   9.547   9.197  -0.666
  248   1HG   LYS  36          1HG       LYS  36  10.598  10.767   0.699
  249   2HG   LYS  36          2HG       LYS  36   9.602  10.411   2.126
  250   1HD   LYS  36          1HD       LYS  36  11.400   8.342   0.808
  251   2HD   LYS  36          2HD       LYS  36  12.002   9.412   2.081
  252   1HE   LYS  36          1HE       LYS  36  10.559   8.544   3.733
  253   2HE   LYS  36          2HE       LYS  36   9.421   7.874   2.609
  254   1HZ   LYS  36          1HZ       LYS  36  11.912   6.586   3.361
  255   2HZ   LYS  36          2HZ       LYS  36  10.343   6.013   3.134
  256   3HZ   LYS  36          3HZ       LYS  36  11.203   6.299   1.876
  257    H    ILE  37           H        ILE  37   6.366   8.070   0.941
  258    HA   ILE  37           HA       ILE  37   4.803   9.700   2.880
  259    HB   ILE  37           HB       ILE  37   4.074   6.943   1.938
  260   1HG1  ILE  37          1HG1      ILE  37   3.766   9.546   0.420
  261   2HG1  ILE  37          2HG1      ILE  37   4.548   8.031  -0.086
  262   1HG2  ILE  37          1HG2      ILE  37   1.795   7.759   2.403
  263   2HG2  ILE  37          2HG2      ILE  37   2.807   8.048   3.817
  264   3HG2  ILE  37          3HG2      ILE  37   2.416   9.389   2.723
  265   1HD1  ILE  37          1HD1      ILE  37   2.441   8.149  -1.219
  266   2HD1  ILE  37          2HD1      ILE  37   2.278   6.909   0.039
  267   3HD1  ILE  37          3HD1      ILE  37   1.569   8.528   0.268
  268    H    ALA  38           H        ALA  38   6.585   6.737   2.666
  269    HA   ALA  38           HA       ALA  38   7.309   5.158   4.156
  270   1HB   ALA  38          1HB       ALA  38   8.408   7.041   5.278
  271   2HB   ALA  38          2HB       ALA  38   6.985   7.270   6.321
  272   3HB   ALA  38          3HB       ALA  38   7.912   5.762   6.406
  273    H    ILE  39           H        ILE  39   5.355   4.128   3.439
  274    HA   ILE  39           HA       ILE  39   3.108   4.109   5.377
  275    HB   ILE  39           HB       ILE  39   3.395   2.777   2.697
  276   1HG1  ILE  39          1HG1      ILE  39   2.933   5.165   2.547
  277   2HG1  ILE  39          2HG1      ILE  39   1.518   4.201   2.159
  278   1HG2  ILE  39          1HG2      ILE  39   2.126   1.231   3.909
  279   2HG2  ILE  39          2HG2      ILE  39   1.397   2.475   4.947
  280   3HG2  ILE  39          3HG2      ILE  39   0.874   2.305   3.267
  281   1HD1  ILE  39          1HD1      ILE  39   0.704   4.636   4.550
  282   2HD1  ILE  39          2HD1      ILE  39   1.977   5.870   4.645
  283   3HD1  ILE  39          3HD1      ILE  39   0.690   6.004   3.437
  284    H    ASP  40           H        ASP  40   4.030   3.431   7.034
  285    HA   ASP  40           HA       ASP  40   5.664   0.923   7.151
  286   1HB   ASP  40          1HB       ASP  40   5.075   2.936   9.350
  287   2HB   ASP  40          2HB       ASP  40   6.316   1.669   9.367
  288    H    LYS  41           H        LYS  41   5.022  -0.502   9.117
  289    HA   LYS  41           HA       LYS  41   2.512  -1.472   9.178
  290   1HB   LYS  41          1HB       LYS  41   2.948  -2.139  11.538
  291   2HB   LYS  41          2HB       LYS  41   4.165  -2.575  10.382
  292   1HG   LYS  41          1HG       LYS  41   5.755  -1.711  11.577
  293   2HG   LYS  41          2HG       LYS  41   5.088  -0.093  11.435
  294   1HD   LYS  41          1HD       LYS  41   3.624  -0.530  13.412
  295   2HD   LYS  41          2HD       LYS  41   4.277  -2.183  13.506
  296   1HE   LYS  41          1HE       LYS  41   6.579  -1.241  13.820
  297   2HE   LYS  41          2HE       LYS  41   5.900   0.395  13.816
  298   1HZ   LYS  41          1HZ       LYS  41   6.251  -0.426  16.031
  299   2HZ   LYS  41          2HZ       LYS  41   4.639  -0.210  15.782
  300   3HZ   LYS  41          3HZ       LYS  41   5.284  -1.728  15.768
  301    H    LYS  42           H        LYS  42   3.556   1.217  11.236
  302    HA   LYS  42           HA       LYS  42   1.193   1.667  12.650
  303   1HB   LYS  42          1HB       LYS  42   1.981   4.024  12.910
  304   2HB   LYS  42          2HB       LYS  42   3.093   2.760  13.433
  305   1HG   LYS  42          1HG       LYS  42   4.567   3.110  11.615
  306   2HG   LYS  42          2HG       LYS  42   3.387   4.094  10.711
  307   1HD   LYS  42          1HD       LYS  42   3.583   5.929  12.219
  308   2HD   LYS  42          2HD       LYS  42   4.287   4.926  13.482
  309   1HE   LYS  42          1HE       LYS  42   5.974   6.403  12.616
  310   2HE   LYS  42          2HE       LYS  42   6.408   4.726  12.273
  311   1HZ   LYS  42          1HZ       LYS  42   5.165   6.488  10.237
  312   2HZ   LYS  42          2HZ       LYS  42   6.787   6.274  10.432
  313   3HZ   LYS  42          3HZ       LYS  42   5.929   5.032  10.010
  314    H    SER  43           H        SER  43   1.908   2.772   9.302
  315    HA   SER  43           HA       SER  43  -0.625   4.333   9.270
  316   1HB   SER  43          1HB       SER  43   0.467   4.725   6.865
  317   2HB   SER  43          2HB       SER  43   0.881   5.655   8.311
  318    HG   SER  43           HG       SER  43   2.790   5.003   7.319
  319    H    ALA  44           H        ALA  44   1.145   1.939   7.389
  320    HA   ALA  44           HA       ALA  44  -0.459   0.956   5.464
  321   1HB   ALA  44          1HB       ALA  44   0.523  -1.261   6.030
  322   2HB   ALA  44          2HB       ALA  44   1.739   0.052   5.942
  323   3HB   ALA  44          3HB       ALA  44   1.184  -0.576   7.506
  324    H    HIS  45           H        HIS  45  -0.636  -0.084   8.860
  325    HA   HIS  45           HA       HIS  45  -2.925  -1.872   8.225
  326   1HB   HIS  45          1HB       HIS  45  -0.902  -1.692  10.409
  327   2HB   HIS  45          2HB       HIS  45  -2.510  -2.183  10.888
  328    HD1  HIS  45           HND      HIS  45  -2.519  -4.656  11.138
  329    HD2  HIS  45           HD       HIS  45  -0.191  -3.324   7.911
  330    HE1  HIS  45           HE       HIS  45  -1.535  -6.723  10.059
  331    H    LYS  46           H        LYS  46  -2.572   1.362   9.200
  332    HA   LYS  46           HA       LYS  46  -4.976   1.353  10.950
  333   1HB   LYS  46          1HB       LYS  46  -2.922   2.442  11.724
  334   2HB   LYS  46          2HB       LYS  46  -2.915   3.523  10.337
  335   1HG   LYS  46          1HG       LYS  46  -5.087   3.383  12.481
  336   2HG   LYS  46          2HG       LYS  46  -3.731   4.528  12.437
  337   1HD   LYS  46          1HD       LYS  46  -4.565   5.330  10.192
  338   2HD   LYS  46          2HD       LYS  46  -6.031   4.352  10.463
  339   1HE   LYS  46          1HE       LYS  46  -6.516   5.599  12.524
  340   2HE   LYS  46          2HE       LYS  46  -5.137   6.672  12.196
  341   1HZ   LYS  46          1HZ       LYS  46  -7.307   7.517  11.368
  342   2HZ   LYS  46          2HZ       LYS  46  -6.212   7.315  10.147
  343   3HZ   LYS  46          3HZ       LYS  46  -7.393   6.228  10.336
  344    H    ASP  47           H        ASP  47  -3.614   3.369   8.323
  345    HA   ASP  47           HA       ASP  47  -5.980   3.143   6.689
  346   1HB   ASP  47          1HB       ASP  47  -5.520   5.744   8.178
  347   2HB   ASP  47          2HB       ASP  47  -6.153   5.749   6.545
  348    H    ALA  48           H        ALA  48  -4.354   2.249   5.414
  349    HA   ALA  48           HA       ALA  48  -3.710   4.211   3.455
  350   1HB   ALA  48          1HB       ALA  48  -1.272   3.610   3.179
  351   2HB   ALA  48          2HB       ALA  48  -1.646   4.606   4.594
  352   3HB   ALA  48          3HB       ALA  48  -1.324   2.883   4.805
  353    H    CYS  49           H        CYS  49  -2.111   1.040   4.025
  354    HA   CYS  49           HA       CYS  49  -3.146   0.120   1.472
  355   1HB   CYS  49          1HB       CYS  49  -1.853  -1.596   3.525
  356   2HB   CYS  49          2HB       CYS  49  -1.842  -1.817   1.790
  357    H    LYS  50           H        LYS  50  -3.585  -0.956   4.937
  358    HA   LYS  50           HA       LYS  50  -6.115  -2.305   4.227
  359   1HB   LYS  50          1HB       LYS  50  -4.799  -1.799   6.917
  360   2HB   LYS  50          2HB       LYS  50  -6.331  -2.638   6.641
  361   1HG   LYS  50          1HG       LYS  50  -4.770  -4.003   4.904
  362   2HG   LYS  50          2HG       LYS  50  -3.554  -3.624   6.127
  363   1HD   LYS  50          1HD       LYS  50  -6.284  -4.950   6.555
  364   2HD   LYS  50          2HD       LYS  50  -4.732  -5.805   6.521
  365   1HE   LYS  50          1HE       LYS  50  -3.968  -4.736   8.523
  366   2HE   LYS  50          2HE       LYS  50  -5.297  -3.571   8.543
  367   1HZ   LYS  50          1HZ       LYS  50  -6.822  -5.350   8.939
  368   2HZ   LYS  50          2HZ       LYS  50  -5.606  -6.465   8.941
  369   3HZ   LYS  50          3HZ       LYS  50  -5.672  -5.302  10.107
  370    H    THR  51           H        THR  51  -6.616  -0.093   3.208
  371    HA   THR  51           HA       THR  51  -8.998   0.411   4.679
  372    HB   THR  51           HB       THR  51  -7.607   2.124   5.773
  373    HG1  THR  51           HG1      THR  51  -9.133   3.537   5.836
  374   1HG2  THR  51          1HG2      THR  51  -6.258   2.876   3.789
  375   2HG2  THR  51          2HG2      THR  51  -7.721   3.618   3.105
  376   3HG2  THR  51          3HG2      THR  51  -7.058   4.212   4.632
  377    H    CYS  52           H        CYS  52  -6.942   1.447   1.910
  378    HA   CYS  52           HA       CYS  52  -9.028   2.049   0.127
  379   1HB   CYS  52          1HB       CYS  52  -6.200   1.096  -0.121
  380   2HB   CYS  52          2HB       CYS  52  -7.269   0.853  -1.502
  381    H    HIS  53           H        HIS  53  -7.470  -1.164   0.540
  382    HA   HIS  53           HA       HIS  53  -9.017  -2.117  -1.594
  383   1HB   HIS  53          1HB       HIS  53  -7.533  -3.991   0.243
  384   2HB   HIS  53          2HB       HIS  53  -7.851  -4.149  -1.472
  385    HD1  HIS  53           HND      HIS  53  -5.565  -2.171   0.968
  386    HD2  HIS  53           HD       HIS  53  -5.985  -3.008  -3.158
  387    HE1  HIS  53           HE       HIS  53  -3.463  -1.470  -0.170
  388    H    LYS  54           H        LYS  54 -10.925  -1.361   0.382
  389    HA   LYS  54           HA       LYS  54 -11.890  -3.510   1.980
  390   1HB   LYS  54          1HB       LYS  54 -13.143  -0.981   0.913
  391   2HB   LYS  54          2HB       LYS  54 -14.045  -2.113   1.940
  392   1HG   LYS  54          1HG       LYS  54 -12.661  -1.790   3.811
  393   2HG   LYS  54          2HG       LYS  54 -11.301  -1.239   2.833
  394   1HD   LYS  54          1HD       LYS  54 -12.119   0.640   3.988
  395   2HD   LYS  54          2HD       LYS  54 -12.460   0.821   2.259
  396   1HE   LYS  54          1HE       LYS  54 -14.832   0.178   2.639
  397   2HE   LYS  54          2HE       LYS  54 -14.499  -0.063   4.364
  398   1HZ   LYS  54          1HZ       LYS  54 -15.476   2.081   3.936
  399   2HZ   LYS  54          2HZ       LYS  54 -13.947   2.272   4.515
  400   3HZ   LYS  54          3HZ       LYS  54 -14.253   2.492   2.916
  401    H    SER  55           H        SER  55 -13.049  -2.309  -1.201
  402    HA   SER  55           HA       SER  55 -14.369  -4.943  -1.695
  403   1HB   SER  55          1HB       SER  55 -15.957  -3.185  -0.718
  404   2HB   SER  55          2HB       SER  55 -15.742  -2.287  -2.233
  405    HG   SER  55           HG       SER  55 -16.692  -4.961  -1.929
  406    H    ASN  56           H        ASN  56 -12.323  -5.120  -2.866
  407    HA   ASN  56           HA       ASN  56 -12.856  -4.700  -5.658
  408   1HB   ASN  56          1HB       ASN  56 -10.731  -3.521  -6.218
  409   2HB   ASN  56          2HB       ASN  56 -11.964  -2.529  -5.445
  410   1HD2  ASN  56          1HD2      ASN  56  -9.860  -1.177  -5.283
  411   2HD2  ASN  56          2HD2      ASN  56  -8.958  -1.377  -3.792
  412    H    ASN  57           H        ASN  57  -9.977  -5.282  -3.576
  413    HA   ASN  57           HA       ASN  57  -9.066  -7.451  -5.265
  414   1HB   ASN  57          1HB       ASN  57  -7.518  -5.952  -4.077
  415   2HB   ASN  57          2HB       ASN  57  -8.182  -6.470  -2.520
  416   1HD2  ASN  57          1HD2      ASN  57  -6.612  -7.738  -5.514
  417   2HD2  ASN  57          2HD2      ASN  57  -5.693  -9.011  -4.675
  418    H    GLY  58           H        GLY  58 -10.541  -7.196  -2.017
  419   1HA   GLY  58          1HA       GLY  58 -12.058  -8.719  -1.051
  420   2HA   GLY  58          2HA       GLY  58 -11.664  -9.909  -2.278
  421    HA   PRO  59           HA       PRO  59  -8.058 -10.254   0.969
  422   1HB   PRO  59          1HB       PRO  59  -8.351  -8.943   3.361
  423   2HB   PRO  59          2HB       PRO  59  -7.585  -8.192   1.928
  424   1HG   PRO  59          1HG       PRO  59 -10.470  -7.915   2.831
  425   2HG   PRO  59          2HG       PRO  59  -9.332  -6.601   2.407
  426   1HD   PRO  59          1HD       PRO  59 -11.117  -7.529   0.617
  427   2HD   PRO  59          2HD       PRO  59  -9.453  -7.143   0.090
  428    H    THR  60           H        THR  60  -8.130 -12.127   2.094
  429    HA   THR  60           HA       THR  60 -10.766 -13.121   3.019
  430    HB   THR  60           HB       THR  60  -9.484 -15.310   2.637
  431    HG1  THR  60           HG1      THR  60  -7.624 -14.743   1.100
  432   1HG2  THR  60          1HG2      THR  60  -9.694 -13.437   0.229
  433   2HG2  THR  60          2HG2      THR  60  -9.681 -15.210   0.190
  434   3HG2  THR  60          3HG2      THR  60 -11.041 -14.351   0.935
  435    H    LYS  61           H        LYS  61  -7.356 -13.672   3.715
  436    HA   LYS  61           HA       LYS  61  -7.600 -13.198   6.598
  437   1HB   LYS  61          1HB       LYS  61  -6.985 -15.471   7.276
  438   2HB   LYS  61          2HB       LYS  61  -8.595 -15.354   6.582
  439   1HG   LYS  61          1HG       LYS  61  -8.132 -16.980   5.131
  440   2HG   LYS  61          2HG       LYS  61  -6.858 -15.998   4.397
  441   1HD   LYS  61          1HD       LYS  61  -5.269 -16.792   6.167
  442   2HD   LYS  61          2HD       LYS  61  -6.549 -17.842   6.810
  443   1HE   LYS  61          1HE       LYS  61  -6.663 -19.052   4.646
  444   2HE   LYS  61          2HE       LYS  61  -5.460 -17.952   3.948
  445   1HZ   LYS  61          1HZ       LYS  61  -3.864 -18.768   5.526
  446   2HZ   LYS  61          2HZ       LYS  61  -4.968 -19.793   6.194
  447   3HZ   LYS  61          3HZ       LYS  61  -4.475 -20.010   4.640
  448    H    CYS  62           H        CYS  62  -6.049 -11.703   6.193
  449    HA   CYS  62           HA       CYS  62  -4.122 -10.753   5.809
  450   1HB   CYS  62          1HB       CYS  62  -2.804 -13.396   6.492
  451   2HB   CYS  62          2HB       CYS  62  -2.050 -11.795   6.569
  452    H    GLY  63           H        GLY  63  -1.740 -12.529   4.699
  453   1HA   GLY  63          1HA       GLY  63  -1.100 -13.583   2.767
  454   2HA   GLY  63          2HA       GLY  63  -2.775 -13.568   2.208
  455    H    GLY  64           H        GLY  64  -3.437 -11.014   1.975
  456   1HA   GLY  64          1HA       GLY  64  -2.957 -10.268  -0.492
  457   2HA   GLY  64          2HA       GLY  64  -3.168  -9.042   0.766
  458    H    CYS  65           H        CYS  65  -0.950  -8.789   2.066
  459    HA   CYS  65           HA       CYS  65   0.836  -7.630  -0.005
  460   1HB   CYS  65          1HB       CYS  65   0.417  -6.920   2.875
  461   2HB   CYS  65          2HB       CYS  65   1.222  -5.921   1.651
  462    H    HIS  66           H        HIS  66   0.958  -9.415   3.083
  463    HA   HIS  66           HA       HIS  66   3.872  -9.698   3.048
  464   1HB   HIS  66          1HB       HIS  66   1.759 -11.171   4.661
  465   2HB   HIS  66          2HB       HIS  66   3.494 -11.226   4.923
  466    HD1  HIS  66           HND      HIS  66   4.543  -8.496   5.260
  467    HD2  HIS  66           HD       HIS  66   0.478  -9.332   6.077
  468    HE1  HIS  66           HE       HIS  66   3.613  -6.600   6.720
  469    H    ILE  67           H        ILE  67   4.612 -10.857   1.292
  470    HA   ILE  67           HA       ILE  67   3.206 -13.126   0.172
  471    HB   ILE  67           HB       ILE  67   6.102 -12.281  -0.192
  472   1HG1  ILE  67          1HG1      ILE  67   4.734 -10.370  -0.735
  473   2HG1  ILE  67          2HG1      ILE  67   5.328 -11.105  -2.215
  474   1HG2  ILE  67          1HG2      ILE  67   5.835 -13.403  -2.419
  475   2HG2  ILE  67          2HG2      ILE  67   5.749 -14.527  -1.067
  476   3HG2  ILE  67          3HG2      ILE  67   4.262 -14.032  -1.884
  477   1HD1  ILE  67          1HD1      ILE  67   3.084 -12.202  -2.541
  478   2HD1  ILE  67          2HD1      ILE  67   2.501 -11.358  -1.086
  479   3HD1  ILE  67          3HD1      ILE  67   3.008 -10.439  -2.503
  480    H    LYS  68           H        LYS  68   2.816 -14.100   2.277
  481    HA   LYS  68           HA       LYS  68   3.097 -15.505   3.974
  482   1HB   LYS  68          1HB       LYS  68   3.095 -17.004   2.024
  483   2HB   LYS  68          2HB       LYS  68   4.842 -16.892   1.934
  484   1HG   LYS  68          1HG       LYS  68   4.641 -17.801   4.518
  485   2HG   LYS  68          2HG       LYS  68   3.034 -18.245   3.955
  486   1HD   LYS  68          1HD       LYS  68   4.191 -20.158   3.372
  487   2HD   LYS  68          2HD       LYS  68   4.325 -19.220   1.876
  488   1HE   LYS  68          1HE       LYS  68   6.411 -19.641   4.083
  489   2HE   LYS  68          2HE       LYS  68   6.523 -20.162   2.397
  490   1HZ   LYS  68          1HZ       LYS  68   6.567 -17.355   3.355
  491   2HZ   LYS  68          2HZ       LYS  68   7.871 -18.201   2.860
  492   3HZ   LYS  68          3HZ       LYS  68   6.682 -17.798   1.796
  493    HHA  HEC  69           HCM      HEC  69   8.517   7.611  -2.218
  494    HHB  HEC  69           HDM      HEC  69   6.363  11.162  -7.000
  495    HHC  HEC  69           HAM      HEC  69   1.232   7.327  -7.421
  496    HHD  HEC  69           HBM      HEC  69   2.774   4.901  -1.727
  497   1HMA  HEC  69          HM81      HEC  69   8.678  11.077  -7.124
  498   2HMA  HEC  69          HM82      HEC  69   8.611  12.200  -5.741
  499   3HMA  HEC  69          HM83      HEC  69   9.961  11.064  -5.918
  500   1HAA  HEC  69          HP71      HEC  69  10.211   8.661  -2.990
  501   2HAA  HEC  69          HP72      HEC  69  10.721   9.318  -4.522
  502   1HBA  HEC  69          HP73      HEC  69  10.328  11.604  -3.731
  503   2HBA  HEC  69          HP74      HEC  69   9.631  10.988  -2.242
  504   1HMB  HEC  69          HM11      HEC  69   4.670  11.004  -9.879
  505   2HMB  HEC  69          HM12      HEC  69   3.458  11.988  -9.019
  506   3HMB  HEC  69          HM13      HEC  69   5.124  12.017  -8.498
  507    HAB  HEC  69          HT2A      HEC  69   1.053   8.792  -8.926
  508   1HBB  HEC  69          HT21      HEC  69   2.618   9.150 -10.857
  509   2HBB  HEC  69          HT22      HEC  69   0.998   9.843 -10.984
  510   3HBB  HEC  69          HT23      HEC  69   2.366  10.896 -10.633
  511   1HMC  HEC  69          HM31      HEC  69  -1.058   5.162  -5.402
  512   2HMC  HEC  69          HM32      HEC  69  -0.716   6.674  -6.239
  513   3HMC  HEC  69          HM33      HEC  69  -0.073   5.139  -6.873
  514    HAC  HEC  69          HT4A      HEC  69   0.732   4.631  -1.981
  515   1HBC  HEC  69          HT41      HEC  69  -0.847   3.326  -4.178
  516   2HBC  HEC  69          HT42      HEC  69   0.756   2.721  -3.702
  517   3HBC  HEC  69          HT43      HEC  69  -0.577   2.782  -2.531
  518   1HMD  HEC  69          HM51      HEC  69   4.740   3.606  -0.293
  519   2HMD  HEC  69          HM52      HEC  69   5.472   4.679   0.916
  520   3HMD  HEC  69          HM53      HEC  69   3.810   4.959   0.382
  521   1HAD  HEC  69          HP61      HEC  69   8.481   6.614  -0.433
  522   2HAD  HEC  69          HP62      HEC  69   7.277   6.323   0.809
  523   1HBD  HEC  69          HP63      HEC  69   7.617   3.928   0.532
  524   2HBD  HEC  69          HP64      HEC  69   8.769   4.246  -0.788
  525    HHA  HEC  70           HCM      HEC  70  -4.307  -4.816  -6.124
  526    HHB  HEC  70           HDM      HEC  70   0.091  -4.243  -1.499
  527    HHC  HEC  70           HAM      HEC  70  -1.986   1.654  -0.300
  528    HHD  HEC  70           HBM      HEC  70  -6.404   1.064  -4.803
  529   1HMA  HEC  70          HM81      HEC  70  -0.138  -7.155  -3.902
  530   2HMA  HEC  70          HM82      HEC  70   0.727  -5.900  -3.014
  531   3HMA  HEC  70          HM83      HEC  70  -0.502  -6.891  -2.186
  532   1HAA  HEC  70          HP71      HEC  70  -3.429  -6.758  -5.845
  533   2HAA  HEC  70          HP72      HEC  70  -1.719  -7.146  -5.751
  534   1HBA  HEC  70          HP73      HEC  70  -2.120  -8.228  -3.538
  535   2HBA  HEC  70          HP74      HEC  70  -3.815  -7.760  -3.640
  536   1HMB  HEC  70          HM11      HEC  70   1.705  -3.131  -0.185
  537   2HMB  HEC  70          HM12      HEC  70   1.467  -2.064   1.210
  538   3HMB  HEC  70          HM13      HEC  70   0.386  -3.436   0.960
  539    HAB  HEC  70          HT2A      HEC  70  -0.391   1.352   0.915
  540   1HBB  HEC  70          HT21      HEC  70   1.768   1.026  -0.317
  541   2HBB  HEC  70          HT22      HEC  70   1.873   1.622   1.335
  542   3HBB  HEC  70          HT23      HEC  70   2.270  -0.061   0.987
  543   1HMC  HEC  70          HM31      HEC  70  -2.727   3.807  -1.043
  544   2HMC  HEC  70          HM32      HEC  70  -4.350   4.409  -1.381
  545   3HMC  HEC  70          HM33      HEC  70  -4.089   3.349   0.012
  546    HAC  HEC  70          HT4A      HEC  70  -7.184   2.303  -3.223
  547   1HBC  HEC  70          HT41      HEC  70  -6.418   4.002  -4.615
  548   2HBC  HEC  70          HT42      HEC  70  -7.314   4.792  -3.319
  549   3HBC  HEC  70          HT43      HEC  70  -5.540   4.830  -3.289
  550   1HMD  HEC  70          HM51      HEC  70  -7.784   0.203  -6.195
  551   2HMD  HEC  70          HM52      HEC  70  -7.159  -0.327  -7.771
  552   3HMD  HEC  70          HM53      HEC  70  -8.212  -1.396  -6.838
  553   1HAD  HEC  70          HP61      HEC  70  -6.642  -2.842  -8.349
  554   2HAD  HEC  70          HP62      HEC  70  -5.394  -4.002  -7.938
  555   1HBD  HEC  70          HP63      HEC  70  -7.290  -4.442  -5.948
  556   2HBD  HEC  70          HP64      HEC  70  -8.292  -4.028  -7.343
  557    HHA  HEC  71           HCM      HEC  71   4.031  -4.152   8.917
  558    HHB  HEC  71           HDM      HEC  71   0.928  -9.167  11.298
  559    HHC  HEC  71           HAM      HEC  71  -2.954  -9.092   6.243
  560    HHD  HEC  71           HBM      HEC  71   0.190  -4.192   3.838
  561   1HMA  HEC  71          HM81      HEC  71   3.970  -7.551  12.895
  562   2HMA  HEC  71          HM82      HEC  71   2.244  -7.319  13.216
  563   3HMA  HEC  71          HM83      HEC  71   2.818  -8.841  12.511
  564   1HAA  HEC  71          HP71      HEC  71   5.237  -4.833  10.559
  565   2HAA  HEC  71          HP72      HEC  71   4.933  -5.599  12.106
  566   1HBA  HEC  71          HP73      HEC  71   5.579  -7.767  11.136
  567   2HBA  HEC  71          HP74      HEC  71   5.878  -6.981   9.574
  568   1HMB  HEC  71          HM11      HEC  71  -1.391 -10.477  11.747
  569   2HMB  HEC  71          HM12      HEC  71  -1.745 -11.778  10.583
  570   3HMB  HEC  71          HM13      HEC  71  -0.071 -11.344  10.924
  571    HAB  HEC  71          HT2A      HEC  71  -4.035  -9.916   7.908
  572   1HBB  HEC  71          HT21      HEC  71  -3.787 -10.612  10.825
  573   2HBB  HEC  71          HT22      HEC  71  -4.188  -9.011  10.163
  574   3HBB  HEC  71          HT23      HEC  71  -5.255 -10.398   9.858
  575   1HMC  HEC  71          HM31      HEC  71  -3.167  -9.061   3.941
  576   2HMC  HEC  71          HM32      HEC  71  -4.373  -7.847   4.420
  577   3HMC  HEC  71          HM33      HEC  71  -3.548  -7.745   2.843
  578    HAC  HEC  71          HT4A      HEC  71  -1.660  -4.285   2.873
  579   1HBC  HEC  71          HT41      HEC  71  -3.651  -4.158   1.927
  580   2HBC  HEC  71          HT42      HEC  71  -3.813  -5.891   1.658
  581   3HBC  HEC  71          HT43      HEC  71  -4.118  -5.219   3.267
  582   1HMD  HEC  71          HM51      HEC  71   1.108  -2.008   4.127
  583   2HMD  HEC  71          HM52      HEC  71   2.835  -1.664   4.267
  584   3HMD  HEC  71          HM53      HEC  71   2.240  -3.067   3.332
  585   1HAD  HEC  71          HP61      HEC  71   4.539  -2.283   5.531
  586   2HAD  HEC  71          HP62      HEC  71   3.842  -1.374   6.850
  587   1HBD  HEC  71          HP63      HEC  71   5.229  -2.532   8.417
  588   2HBD  HEC  71          HP64      HEC  71   5.423  -3.908   7.284
  Start of MODEL   29
    1   1H    ALA   1          1H        ALA   1   7.875   5.136  -6.917
    2   2H    ALA   1          2H        ALA   1   8.801   6.456  -7.266
    3   3H    ALA   1          3H        ALA   1   8.099   5.588  -8.483
    4    HA   ALA   1           HA       ALA   1  10.386   5.065  -8.437
    5   1HB   ALA   1          1HB       ALA   1  10.863   5.604  -6.100
    6   2HB   ALA   1          2HB       ALA   1   9.874   4.234  -5.548
    7   3HB   ALA   1          3HB       ALA   1  11.361   3.943  -6.471
    8    H    ASP   2           H        ASP   2   9.683   3.738 -10.023
    9    HA   ASP   2           HA       ASP   2   7.549   2.270 -10.075
   10   1HB   ASP   2          1HB       ASP   2  10.040   1.994 -11.788
   11   2HB   ASP   2          2HB       ASP   2   8.426   1.459 -12.254
   12    H    VAL   3           H        VAL   3   7.784   1.083  -8.055
   13    HA   VAL   3           HA       VAL   3   7.117  -0.880  -7.248
   14    HB   VAL   3           HB       VAL   3   8.526  -2.392  -9.474
   15   1HG1  VAL   3          1HG1      VAL   3   6.637  -3.326  -7.273
   16   2HG1  VAL   3          2HG1      VAL   3   7.202  -4.304  -8.639
   17   3HG1  VAL   3          3HG1      VAL   3   8.359  -3.741  -7.428
   18   1HG2  VAL   3          1HG2      VAL   3   6.183  -2.830 -10.233
   19   2HG2  VAL   3          2HG2      VAL   3   5.579  -1.719  -8.988
   20   3HG2  VAL   3          3HG2      VAL   3   6.584  -1.114 -10.323
   21    H    VAL   4           H        VAL   4   8.014  -1.743  -5.405
   22    HA   VAL   4           HA       VAL   4  10.831  -2.239  -5.161
   23    HB   VAL   4           HB       VAL   4  10.725   0.278  -5.004
   24   1HG1  VAL   4          1HG1      VAL   4   9.736   1.316  -2.984
   25   2HG1  VAL   4          2HG1      VAL   4   8.505   0.568  -4.008
   26   3HG1  VAL   4          3HG1      VAL   4   9.039  -0.243  -2.507
   27   1HG2  VAL   4          1HG2      VAL   4  12.424  -1.142  -3.706
   28   2HG2  VAL   4          2HG2      VAL   4  12.165   0.532  -3.183
   29   3HG2  VAL   4          3HG2      VAL   4  11.443  -0.784  -2.259
   30    H    THR   5           H        THR   5  11.125  -2.698  -2.576
   31    HA   THR   5           HA       THR   5   8.651  -2.972  -1.178
   32    HB   THR   5           HB       THR   5   8.772  -5.201  -2.413
   33    HG1  THR   5           HG1      THR   5   8.236  -5.007  -0.183
   34   1HG2  THR   5          1HG2      THR   5  11.519  -5.585  -1.154
   35   2HG2  THR   5          2HG2      THR   5  10.604  -6.794  -2.071
   36   3HG2  THR   5          3HG2      THR   5  11.196  -5.338  -2.885
   37    H    TYR   6           H        TYR   6   8.817  -3.406   0.880
   38    HA   TYR   6           HA       TYR   6  11.370  -2.546   2.159
   39   1HB   TYR   6          1HB       TYR   6   8.451  -2.157   2.815
   40   2HB   TYR   6          2HB       TYR   6   9.744  -1.946   3.999
   41    HD1  TYR   6           HD1      TYR   6   9.599  -0.839   0.338
   42    HD2  TYR   6           HD2      TYR   6   9.443   0.361   4.462
   43    HE1  TYR   6           HE1      TYR   6  10.001   1.420  -0.349
   44    HE2  TYR   6           HE2      TYR   6   9.667   2.729   3.718
   45    HH   TYR   6           HH       TYR   6  10.562   3.564   0.338
   46    H    GLU   7           H        GLU   7  12.305  -4.514   2.337
   47    HA   GLU   7           HA       GLU   7  11.017  -6.882   3.107
   48   1HB   GLU   7          1HB       GLU   7  13.133  -7.855   3.390
   49   2HB   GLU   7          2HB       GLU   7  13.275  -6.688   2.089
   50   1HG   GLU   7          1HG       GLU   7  15.186  -6.176   3.231
   51   2HG   GLU   7          2HG       GLU   7  14.101  -5.070   4.083
   52    H    ASN   8           H        ASN   8  10.850  -7.924   5.129
   53    HA   ASN   8           HA       ASN   8  10.938  -6.498   7.618
   54   1HB   ASN   8          1HB       ASN   8   8.487  -6.389   7.940
   55   2HB   ASN   8          2HB       ASN   8   8.980  -5.341   6.614
   56   1HD2  ASN   8          1HD2      ASN   8   8.332  -5.831   4.490
   57   2HD2  ASN   8          2HD2      ASN   8   7.152  -7.092   4.142
   58    H    LYS   9           H        LYS   9   9.303  -8.062   9.169
   59    HA   LYS   9           HA       LYS   9  10.850 -10.491   8.797
   60   1HB   LYS   9          1HB       LYS   9  10.007  -8.900  11.026
   61   2HB   LYS   9          2HB       LYS   9   9.286 -10.486  11.239
   62   1HG   LYS   9          1HG       LYS   9  12.259 -10.032  10.703
   63   2HG   LYS   9          2HG       LYS   9  11.513 -10.103  12.295
   64   1HD   LYS   9          1HD       LYS   9  12.230 -12.250  12.113
   65   2HD   LYS   9          2HD       LYS   9  10.547 -12.409  11.584
   66   1HE   LYS   9          1HE       LYS   9  11.292 -12.493   9.214
   67   2HE   LYS   9          2HE       LYS   9  12.958 -12.153   9.706
   68   1HZ   LYS   9          1HZ       LYS   9  11.363 -14.541  10.366
   69   2HZ   LYS   9          2HZ       LYS   9  12.572 -14.457   9.257
   70   3HZ   LYS   9          3HZ       LYS   9  12.919 -14.283  10.856
   71    H    LYS  10           H        LYS  10   7.658  -9.391   8.161
   72    HA   LYS  10           HA       LYS  10   6.385 -12.061   8.340
   73   1HB   LYS  10          1HB       LYS  10   5.372  -9.736   6.700
   74   2HB   LYS  10          2HB       LYS  10   4.472 -11.094   7.349
   75   1HG   LYS  10          1HG       LYS  10   5.680  -8.783   8.923
   76   2HG   LYS  10          2HG       LYS  10   4.032  -8.914   8.375
   77   1HD   LYS  10          1HD       LYS  10   3.886  -9.515  10.603
   78   2HD   LYS  10          2HD       LYS  10   3.710 -11.009   9.705
   79   1HE   LYS  10          1HE       LYS  10   5.051 -11.238  11.783
   80   2HE   LYS  10          2HE       LYS  10   5.961 -11.724  10.366
   81   1HZ   LYS  10          1HZ       LYS  10   7.051  -9.477  10.452
   82   2HZ   LYS  10          2HZ       LYS  10   6.260  -9.110  11.757
   83   3HZ   LYS  10          3HZ       LYS  10   7.300 -10.368  11.813
   84    H    GLY  11           H        GLY  11   7.150  -9.872   5.608
   85   1HA   GLY  11          1HA       GLY  11   8.568 -11.554   3.949
   86   2HA   GLY  11          2HA       GLY  11   6.926 -12.178   3.773
   87    H    ASN  12           H        ASN  12   8.493  -9.035   3.935
   88    HA   ASN  12           HA       ASN  12   8.920  -7.424   2.405
   89   1HB   ASN  12          1HB       ASN  12   8.472  -9.562   0.369
   90   2HB   ASN  12          2HB       ASN  12   9.551  -8.180   0.251
   91   1HD2  ASN  12          1HD2      ASN  12  10.360  -8.824   3.264
   92   2HD2  ASN  12          2HD2      ASN  12  11.535 -10.099   3.036
   93    H    VAL  13           H        VAL  13   7.457  -5.880   2.376
   94    HA   VAL  13           HA       VAL  13   4.748  -6.192   1.329
   95    HB   VAL  13           HB       VAL  13   6.321  -3.679   2.049
   96   1HG1  VAL  13          1HG1      VAL  13   3.310  -4.035   1.789
   97   2HG1  VAL  13          2HG1      VAL  13   4.236  -2.529   2.045
   98   3HG1  VAL  13          3HG1      VAL  13   4.296  -3.343   0.496
   99   1HG2  VAL  13          1HG2      VAL  13   6.097  -4.998   4.024
  100   2HG2  VAL  13          2HG2      VAL  13   4.877  -3.739   4.087
  101   3HG2  VAL  13          3HG2      VAL  13   4.394  -5.397   3.667
  102    H    THR  14           H        THR  14   4.819  -6.750  -0.942
  103    HA   THR  14           HA       THR  14   6.399  -5.318  -2.826
  104    HB   THR  14           HB       THR  14   3.632  -6.538  -3.213
  105    HG1  THR  14           HG1      THR  14   6.254  -7.573  -3.125
  106   1HG2  THR  14          1HG2      THR  14   4.320  -5.131  -5.132
  107   2HG2  THR  14          2HG2      THR  14   5.890  -5.965  -5.198
  108   3HG2  THR  14          3HG2      THR  14   4.386  -6.846  -5.548
  109    H    PHE  15           H        PHE  15   6.461  -3.140  -2.986
  110    HA   PHE  15           HA       PHE  15   4.011  -1.465  -2.741
  111   1HB   PHE  15          1HB       PHE  15   6.914  -0.887  -3.384
  112   2HB   PHE  15          2HB       PHE  15   5.626   0.279  -3.633
  113    HD1  PHE  15           HD1      PHE  15   6.573   1.956  -2.283
  114    HD2  PHE  15           HD2      PHE  15   5.749  -1.950  -0.628
  115    HE1  PHE  15           HE1      PHE  15   7.329   2.710  -0.059
  116    HE2  PHE  15           HE2      PHE  15   6.411  -1.139   1.611
  117    HZ   PHE  15           HZ       PHE  15   7.326   1.129   1.834
  118    H    ASP  16           H        ASP  16   2.769  -2.253  -4.468
  119    HA   ASP  16           HA       ASP  16   3.648  -2.302  -7.216
  120   1HB   ASP  16          1HB       ASP  16   1.031  -2.159  -5.694
  121   2HB   ASP  16          2HB       ASP  16   1.044  -2.012  -7.447
  122    H    HIS  17           H        HIS  17   5.015  -0.227  -6.726
  123    HA   HIS  17           HA       HIS  17   3.724   2.239  -6.298
  124   1HB   HIS  17          1HB       HIS  17   6.353   1.362  -6.386
  125   2HB   HIS  17          2HB       HIS  17   6.295   2.437  -7.782
  126    HD1  HIS  17           HND      HIS  17   7.875   2.878  -4.971
  127    HD2  HIS  17           HD       HIS  17   4.302   4.653  -6.284
  128    HE1  HIS  17           HE       HIS  17   7.561   5.028  -3.600
  129    H    LYS  18           H        LYS  18   5.394   1.347  -9.349
  130    HA   LYS  18           HA       LYS  18   4.249   3.285 -11.038
  131   1HB   LYS  18          1HB       LYS  18   6.143   2.148 -11.797
  132   2HB   LYS  18          2HB       LYS  18   5.455   0.539 -11.507
  133   1HG   LYS  18          1HG       LYS  18   3.965   0.756 -13.383
  134   2HG   LYS  18          2HG       LYS  18   4.366   2.481 -13.554
  135   1HD   LYS  18          1HD       LYS  18   6.601   1.980 -14.296
  136   2HD   LYS  18          2HD       LYS  18   6.490   0.303 -13.760
  137   1HE   LYS  18          1HE       LYS  18   6.332   0.505 -16.232
  138   2HE   LYS  18          2HE       LYS  18   4.906  -0.259 -15.508
  139   1HZ   LYS  18          1HZ       LYS  18   3.725   1.761 -15.691
  140   2HZ   LYS  18          2HZ       LYS  18   5.020   2.578 -16.301
  141   3HZ   LYS  18          3HZ       LYS  18   4.287   1.361 -17.154
  142    H    ALA  19           H        ALA  19   3.319  -0.090 -10.499
  143    HA   ALA  19           HA       ALA  19   1.008  -0.392 -11.964
  144   1HB   ALA  19          1HB       ALA  19   1.835  -1.274  -9.228
  145   2HB   ALA  19          2HB       ALA  19   0.344  -1.904  -9.983
  146   3HB   ALA  19          3HB       ALA  19   1.936  -2.208 -10.729
  147    H    HIS  20           H        HIS  20   0.927   0.700  -8.461
  148    HA   HIS  20           HA       HIS  20  -1.870   1.348  -8.635
  149   1HB   HIS  20          1HB       HIS  20   0.253   2.103  -6.603
  150   2HB   HIS  20          2HB       HIS  20  -1.419   2.625  -6.513
  151    HD1  HIS  20           HND      HIS  20  -0.657  -0.930  -7.613
  152    HD2  HIS  20           HD       HIS  20  -2.117   1.221  -4.320
  153    HE1  HIS  20           HE       HIS  20  -1.630  -2.627  -6.004
  154    H    ALA  21           H        ALA  21   1.121   3.123  -9.337
  155    HA   ALA  21           HA       ALA  21  -0.109   5.716  -9.470
  156   1HB   ALA  21          1HB       ALA  21   2.306   4.760 -11.046
  157   2HB   ALA  21          2HB       ALA  21   1.809   6.427 -10.731
  158   3HB   ALA  21          3HB       ALA  21   2.327   5.381  -9.390
  159    H    GLU  22           H        GLU  22   0.386   3.261 -12.071
  160    HA   GLU  22           HA       GLU  22  -0.962   4.958 -14.013
  161   1HB   GLU  22          1HB       GLU  22  -0.697   3.142 -15.590
  162   2HB   GLU  22          2HB       GLU  22   0.800   3.561 -14.750
  163   1HG   GLU  22          1HG       GLU  22   0.361   1.527 -13.247
  164   2HG   GLU  22          2HG       GLU  22  -0.916   1.075 -14.383
  165    H    LYS  23           H        LYS  23  -1.918   2.036 -12.167
  166    HA   LYS  23           HA       LYS  23  -4.534   1.751 -13.143
  167   1HB   LYS  23          1HB       LYS  23  -3.349   1.325 -10.379
  168   2HB   LYS  23          2HB       LYS  23  -4.914   0.699 -10.871
  169   1HG   LYS  23          1HG       LYS  23  -2.343  -0.026 -12.394
  170   2HG   LYS  23          2HG       LYS  23  -2.886  -0.861 -10.925
  171   1HD   LYS  23          1HD       LYS  23  -5.103  -1.185 -12.107
  172   2HD   LYS  23          2HD       LYS  23  -4.317  -0.607 -13.596
  173   1HE   LYS  23          1HE       LYS  23  -2.956  -2.562 -13.767
  174   2HE   LYS  23          2HE       LYS  23  -2.945  -2.793 -12.017
  175   1HZ   LYS  23          1HZ       LYS  23  -4.995  -3.768 -13.823
  176   2HZ   LYS  23          2HZ       LYS  23  -4.286  -4.399 -12.423
  177   3HZ   LYS  23          3HZ       LYS  23  -5.374  -3.308 -12.257
  178    H    LEU  24           H        LEU  24  -3.360   3.743 -10.362
  179    HA   LEU  24           HA       LEU  24  -6.126   4.721  -9.937
  180   1HB   LEU  24          1HB       LEU  24  -3.733   5.201  -8.164
  181   2HB   LEU  24          2HB       LEU  24  -5.444   5.315  -7.776
  182    HG   LEU  24           HG       LEU  24  -3.994   2.690  -8.395
  183   1HD1  LEU  24          1HD1      LEU  24  -4.087   2.327  -5.977
  184   2HD1  LEU  24          2HD1      LEU  24  -3.207   3.833  -6.332
  185   3HD1  LEU  24          3HD1      LEU  24  -4.863   3.912  -5.765
  186   1HD2  LEU  24          1HD2      LEU  24  -6.785   3.253  -7.325
  187   2HD2  LEU  24          2HD2      LEU  24  -6.382   2.542  -8.906
  188   3HD2  LEU  24          3HD2      LEU  24  -6.003   1.658  -7.417
  189    H    GLY  25           H        GLY  25  -2.766   6.035 -10.398
  190   1HA   GLY  25          1HA       GLY  25  -2.931   8.127 -11.846
  191   2HA   GLY  25          2HA       GLY  25  -3.825   8.815 -10.484
  192    H    CYS  26           H        CYS  26  -2.834   8.668  -8.416
  193    HA   CYS  26           HA       CYS  26  -0.226   8.277  -7.580
  194   1HB   CYS  26          1HB       CYS  26   0.147  10.181  -9.498
  195   2HB   CYS  26          2HB       CYS  26  -0.461  11.219  -8.237
  196    H    ASP  27           H        ASP  27  -2.827  10.555  -7.847
  197    HA   ASP  27           HA       ASP  27  -2.903  12.102  -5.613
  198   1HB   ASP  27          1HB       ASP  27  -5.393  10.868  -6.875
  199   2HB   ASP  27          2HB       ASP  27  -5.182  12.486  -6.207
  200    H    ALA  28           H        ALA  28  -4.197   8.960  -6.209
  201    HA   ALA  28           HA       ALA  28  -5.701   8.219  -4.110
  202   1HB   ALA  28          1HB       ALA  28  -4.906   5.914  -4.606
  203   2HB   ALA  28          2HB       ALA  28  -5.245   6.858  -6.075
  204   3HB   ALA  28          3HB       ALA  28  -3.564   6.595  -5.555
  205    H    CYS  29           H        CYS  29  -2.136   8.374  -4.093
  206    HA   CYS  29           HA       CYS  29  -2.138   7.678  -1.160
  207   1HB   CYS  29          1HB       CYS  29   0.047   7.240  -3.183
  208   2HB   CYS  29          2HB       CYS  29   0.075   6.827  -1.457
  209    H    HIS  30           H        HIS  30  -0.735   9.747  -3.750
  210    HA   HIS  30           HA       HIS  30   0.478  11.480  -1.610
  211   1HB   HIS  30          1HB       HIS  30   1.439  10.956  -4.431
  212   2HB   HIS  30          2HB       HIS  30   2.151  12.067  -3.278
  213    HD1  HIS  30           HND      HIS  30   3.604  10.905  -1.285
  214    HD2  HIS  30           HD       HIS  30   2.354   8.607  -4.520
  215    HE1  HIS  30           HE       HIS  30   5.270   8.913  -1.520
  216    H    GLU  31           H        GLU  31  -0.710  13.303  -1.503
  217    HA   GLU  31           HA       GLU  31  -2.096  14.392  -3.867
  218   1HB   GLU  31          1HB       GLU  31  -1.836  15.488  -1.021
  219   2HB   GLU  31          2HB       GLU  31  -2.891  16.111  -2.322
  220   1HG   GLU  31          1HG       GLU  31  -4.046  13.939  -2.379
  221   2HG   GLU  31          2HG       GLU  31  -3.077  13.409  -0.985
  222    H    GLY  32           H        GLY  32  -1.075  16.963  -2.156
  223   1HA   GLY  32          1HA       GLY  32   0.473  18.067  -4.271
  224   2HA   GLY  32          2HA       GLY  32   0.236  18.758  -2.663
  225    H    THR  33           H        THR  33   2.109  16.363  -4.441
  226    HA   THR  33           HA       THR  33   4.352  16.431  -4.799
  227    HB   THR  33           HB       THR  33   4.812  17.962  -2.225
  228    HG1  THR  33           HG1      THR  33   4.725  19.733  -3.533
  229   1HG2  THR  33          1HG2      THR  33   6.822  16.805  -3.057
  230   2HG2  THR  33          2HG2      THR  33   6.561  17.502  -4.674
  231   3HG2  THR  33          3HG2      THR  33   6.936  18.556  -3.295
  232    HA   PRO  34           HA       PRO  34   4.486  12.717  -2.154
  233   1HB   PRO  34          1HB       PRO  34   5.944  11.088  -3.710
  234   2HB   PRO  34          2HB       PRO  34   4.265  11.507  -4.136
  235   1HG   PRO  34          1HG       PRO  34   6.750  12.763  -5.229
  236   2HG   PRO  34          2HG       PRO  34   5.309  12.151  -6.093
  237   1HD   PRO  34          1HD       PRO  34   5.644  14.791  -5.477
  238   2HD   PRO  34          2HD       PRO  34   4.019  14.032  -5.485
  239    H    ALA  35           H        ALA  35   5.810  12.801  -0.396
  240    HA   ALA  35           HA       ALA  35   8.756  12.779  -0.769
  241   1HB   ALA  35          1HB       ALA  35   8.116  15.121  -0.436
  242   2HB   ALA  35          2HB       ALA  35   7.221  14.691   1.038
  243   3HB   ALA  35          3HB       ALA  35   8.992  14.493   0.981
  244    H    LYS  36           H        LYS  36   7.781  10.595  -0.515
  245    HA   LYS  36           HA       LYS  36   7.096   8.754   0.387
  246   1HB   LYS  36          1HB       LYS  36   8.254   7.937   2.332
  247   2HB   LYS  36          2HB       LYS  36   9.338   8.645   1.171
  248   1HG   LYS  36          1HG       LYS  36   9.843  10.495   2.502
  249   2HG   LYS  36          2HG       LYS  36   8.408  10.312   3.536
  250   1HD   LYS  36          1HD       LYS  36  10.570   8.194   3.351
  251   2HD   LYS  36          2HD       LYS  36  10.649   9.513   4.537
  252   1HE   LYS  36          1HE       LYS  36   8.828   8.767   5.756
  253   2HE   LYS  36          2HE       LYS  36   8.014   8.060   4.403
  254   1HZ   LYS  36          1HZ       LYS  36   9.714   6.340   4.300
  255   2HZ   LYS  36          2HZ       LYS  36  10.143   6.699   5.878
  256   3HZ   LYS  36          3HZ       LYS  36   8.606   6.195   5.376
  257    H    ILE  37           H        ILE  37   5.993   7.531   2.233
  258    HA   ILE  37           HA       ILE  37   3.804   9.403   3.163
  259    HB   ILE  37           HB       ILE  37   3.625   6.413   2.916
  260   1HG1  ILE  37          1HG1      ILE  37   3.353   8.641   0.915
  261   2HG1  ILE  37          2HG1      ILE  37   4.207   7.093   0.817
  262   1HG2  ILE  37          1HG2      ILE  37   1.941   7.548   4.378
  263   2HG2  ILE  37          2HG2      ILE  37   1.513   8.615   3.025
  264   3HG2  ILE  37          3HG2      ILE  37   1.205   6.867   2.935
  265   1HD1  ILE  37          1HD1      ILE  37   1.947   5.955   0.689
  266   2HD1  ILE  37          2HD1      ILE  37   1.182   7.564   0.707
  267   3HD1  ILE  37          3HD1      ILE  37   2.236   7.116  -0.634
  268    H    ALA  38           H        ALA  38   5.755   6.769   4.211
  269    HA   ALA  38           HA       ALA  38   6.844   6.480   6.322
  270   1HB   ALA  38          1HB       ALA  38   4.691   8.026   7.666
  271   2HB   ALA  38          2HB       ALA  38   6.269   7.487   8.280
  272   3HB   ALA  38          3HB       ALA  38   6.199   8.707   6.973
  273    H    ILE  39           H        ILE  39   5.558   4.650   4.870
  274    HA   ILE  39           HA       ILE  39   3.301   3.541   6.377
  275    HB   ILE  39           HB       ILE  39   4.954   2.367   4.136
  276   1HG1  ILE  39          1HG1      ILE  39   3.674   4.359   3.505
  277   2HG1  ILE  39          2HG1      ILE  39   3.104   2.865   2.772
  278   1HG2  ILE  39          1HG2      ILE  39   3.969   0.550   5.355
  279   2HG2  ILE  39          2HG2      ILE  39   2.412   1.370   5.499
  280   3HG2  ILE  39          3HG2      ILE  39   2.991   0.820   3.905
  281   1HD1  ILE  39          1HD1      ILE  39   1.221   4.300   3.369
  282   2HD1  ILE  39          2HD1      ILE  39   1.171   2.804   4.307
  283   3HD1  ILE  39          3HD1      ILE  39   1.715   4.321   5.064
  284    H    ASP  40           H        ASP  40   3.549   2.723   8.231
  285    HA   ASP  40           HA       ASP  40   5.504   0.527   8.615
  286   1HB   ASP  40          1HB       ASP  40   5.789   0.944  10.874
  287   2HB   ASP  40          2HB       ASP  40   5.810   2.575  10.237
  288    H    LYS  41           H        LYS  41   4.420  -0.724  10.552
  289    HA   LYS  41           HA       LYS  41   2.085  -2.033   9.731
  290   1HB   LYS  41          1HB       LYS  41   1.995  -2.849  12.113
  291   2HB   LYS  41          2HB       LYS  41   3.472  -3.102  11.208
  292   1HG   LYS  41          1HG       LYS  41   4.395  -2.623  13.166
  293   2HG   LYS  41          2HG       LYS  41   4.356  -1.003  12.500
  294   1HD   LYS  41          1HD       LYS  41   2.122  -0.718  13.841
  295   2HD   LYS  41          2HD       LYS  41   2.462  -2.290  14.532
  296   1HE   LYS  41          1HE       LYS  41   3.135  -0.326  15.945
  297   2HE   LYS  41          2HE       LYS  41   4.446  -1.475  15.642
  298   1HZ   LYS  41          1HZ       LYS  41   4.987   0.965  15.368
  299   2HZ   LYS  41          2HZ       LYS  41   5.414  -0.005  14.117
  300   3HZ   LYS  41          3HZ       LYS  41   4.118   0.935  13.960
  301    H    LYS  42           H        LYS  42   2.437   0.621  12.081
  302    HA   LYS  42           HA       LYS  42  -0.238   0.737  12.907
  303   1HB   LYS  42          1HB       LYS  42   1.964   1.909  13.764
  304   2HB   LYS  42          2HB       LYS  42   1.466   3.240  12.708
  305   1HG   LYS  42          1HG       LYS  42  -0.720   3.278  13.937
  306   2HG   LYS  42          2HG       LYS  42  -0.112   1.943  14.949
  307   1HD   LYS  42          1HD       LYS  42   1.859   3.396  15.583
  308   2HD   LYS  42          2HD       LYS  42   1.113   4.733  14.689
  309   1HE   LYS  42          1HE       LYS  42  -0.864   4.639  16.212
  310   2HE   LYS  42          2HE       LYS  42  -0.139   3.272  17.077
  311   1HZ   LYS  42          1HZ       LYS  42   0.994   5.989  16.931
  312   2HZ   LYS  42          2HZ       LYS  42   0.231   5.327  18.227
  313   3HZ   LYS  42          3HZ       LYS  42   1.670   4.717  17.726
  314    H    SER  43           H        SER  43   1.399   2.844  10.420
  315    HA   SER  43           HA       SER  43  -1.050   4.002   9.516
  316   1HB   SER  43          1HB       SER  43   1.579   3.569   8.055
  317   2HB   SER  43          2HB       SER  43   0.264   4.615   7.487
  318    HG   SER  43           HG       SER  43   0.494   5.816   9.425
  319    H    ALA  44           H        ALA  44   0.833   1.347   8.027
  320    HA   ALA  44           HA       ALA  44  -0.504   0.619   5.823
  321   1HB   ALA  44          1HB       ALA  44   0.173  -1.686   6.253
  322   2HB   ALA  44          2HB       ALA  44   1.474  -0.529   6.600
  323   3HB   ALA  44          3HB       ALA  44   0.572  -1.280   7.931
  324    H    HIS  45           H        HIS  45  -1.327  -0.789   9.041
  325    HA   HIS  45           HA       HIS  45  -3.741  -1.908   7.814
  326   1HB   HIS  45          1HB       HIS  45  -3.062  -2.351  10.670
  327   2HB   HIS  45          2HB       HIS  45  -3.902  -3.407   9.539
  328    HD1  HIS  45           HND      HIS  45  -0.566  -2.591  10.935
  329    HD2  HIS  45           HD       HIS  45  -2.085  -4.699   7.640
  330    HE1  HIS  45           HE       HIS  45   1.249  -4.201  10.209
  331    H    LYS  46           H        LYS  46  -3.068   1.027   9.382
  332    HA   LYS  46           HA       LYS  46  -5.673   1.245  10.774
  333   1HB   LYS  46          1HB       LYS  46  -3.809   2.270  11.813
  334   2HB   LYS  46          2HB       LYS  46  -3.405   3.182  10.353
  335   1HG   LYS  46          1HG       LYS  46  -6.183   3.659  11.208
  336   2HG   LYS  46          2HG       LYS  46  -5.030   3.985  12.521
  337   1HD   LYS  46          1HD       LYS  46  -3.657   5.381  11.018
  338   2HD   LYS  46          2HD       LYS  46  -4.772   5.063   9.695
  339   1HE   LYS  46          1HE       LYS  46  -5.356   6.642  12.244
  340   2HE   LYS  46          2HE       LYS  46  -5.151   7.288  10.610
  341   1HZ   LYS  46          1HZ       LYS  46  -7.455   7.151  11.040
  342   2HZ   LYS  46          2HZ       LYS  46  -7.158   5.931   9.985
  343   3HZ   LYS  46          3HZ       LYS  46  -7.373   5.589  11.542
  344    H    ASP  47           H        ASP  47  -4.061   3.213   8.230
  345    HA   ASP  47           HA       ASP  47  -6.272   2.967   6.428
  346   1HB   ASP  47          1HB       ASP  47  -5.998   5.608   7.918
  347   2HB   ASP  47          2HB       ASP  47  -6.740   5.436   6.344
  348    H    ALA  48           H        ALA  48  -4.210   2.123   5.629
  349    HA   ALA  48           HA       ALA  48  -3.408   4.153   3.660
  350   1HB   ALA  48          1HB       ALA  48  -1.468   4.263   5.049
  351   2HB   ALA  48          2HB       ALA  48  -1.380   2.513   5.241
  352   3HB   ALA  48          3HB       ALA  48  -1.050   3.253   3.651
  353    H    CYS  49           H        CYS  49  -2.124   0.873   4.123
  354    HA   CYS  49           HA       CYS  49  -3.127   0.133   1.511
  355   1HB   CYS  49          1HB       CYS  49  -1.854  -1.671   3.524
  356   2HB   CYS  49          2HB       CYS  49  -1.830  -1.824   1.773
  357    H    LYS  50           H        LYS  50  -3.692  -1.078   4.900
  358    HA   LYS  50           HA       LYS  50  -5.771  -2.827   3.816
  359   1HB   LYS  50          1HB       LYS  50  -3.920  -3.098   5.833
  360   2HB   LYS  50          2HB       LYS  50  -5.372  -2.767   6.757
  361   1HG   LYS  50          1HG       LYS  50  -5.954  -4.769   4.686
  362   2HG   LYS  50          2HG       LYS  50  -4.478  -5.195   5.538
  363   1HD   LYS  50          1HD       LYS  50  -6.434  -6.210   6.527
  364   2HD   LYS  50          2HD       LYS  50  -5.614  -5.151   7.687
  365   1HE   LYS  50          1HE       LYS  50  -7.332  -3.506   7.581
  366   2HE   LYS  50          2HE       LYS  50  -7.916  -4.088   6.003
  367   1HZ   LYS  50          1HZ       LYS  50  -9.384  -4.644   7.783
  368   2HZ   LYS  50          2HZ       LYS  50  -8.794  -5.983   7.030
  369   3HZ   LYS  50          3HZ       LYS  50  -8.214  -5.543   8.524
  370    H    THR  51           H        THR  51  -6.601  -0.436   3.246
  371    HA   THR  51           HA       THR  51  -9.115  -0.422   4.625
  372    HB   THR  51           HB       THR  51  -7.585   1.340   5.771
  373    HG1  THR  51           HG1      THR  51  -9.322   2.604   6.194
  374   1HG2  THR  51          1HG2      THR  51  -6.824   2.518   3.716
  375   2HG2  THR  51          2HG2      THR  51  -8.510   2.968   3.348
  376   3HG2  THR  51          3HG2      THR  51  -7.724   3.607   4.782
  377    H    CYS  52           H        CYS  52  -7.069   1.034   1.991
  378    HA   CYS  52           HA       CYS  52  -9.162   1.455   0.169
  379   1HB   CYS  52          1HB       CYS  52  -6.247   1.002   0.035
  380   2HB   CYS  52          2HB       CYS  52  -7.134   0.356  -1.346
  381    H    HIS  53           H        HIS  53  -7.286  -1.586   0.630
  382    HA   HIS  53           HA       HIS  53  -8.924  -2.891  -1.327
  383   1HB   HIS  53          1HB       HIS  53  -7.172  -4.498   0.505
  384   2HB   HIS  53          2HB       HIS  53  -7.559  -4.750  -1.179
  385    HD1  HIS  53           HND      HIS  53  -5.359  -2.486   1.073
  386    HD2  HIS  53           HD       HIS  53  -5.791  -3.534  -2.990
  387    HE1  HIS  53           HE       HIS  53  -3.328  -1.703  -0.123
  388    H    LYS  54           H        LYS  54 -10.726  -1.980   0.438
  389    HA   LYS  54           HA       LYS  54 -11.749  -4.172   2.161
  390   1HB   LYS  54          1HB       LYS  54 -12.555  -1.329   1.548
  391   2HB   LYS  54          2HB       LYS  54 -13.709  -2.471   2.255
  392   1HG   LYS  54          1HG       LYS  54 -12.442  -2.773   4.215
  393   2HG   LYS  54          2HG       LYS  54 -10.997  -1.995   3.530
  394   1HD   LYS  54          1HD       LYS  54 -11.989   0.175   3.567
  395   2HD   LYS  54          2HD       LYS  54 -13.612  -0.499   3.664
  396   1HE   LYS  54          1HE       LYS  54 -13.253   0.503   5.741
  397   2HE   LYS  54          2HE       LYS  54 -13.100  -1.231   6.036
  398   1HZ   LYS  54          1HZ       LYS  54 -11.390   0.054   7.135
  399   2HZ   LYS  54          2HZ       LYS  54 -10.687  -0.905   6.007
  400   3HZ   LYS  54          3HZ       LYS  54 -10.838   0.710   5.745
  401    H    SER  55           H        SER  55 -13.249  -2.110  -0.368
  402    HA   SER  55           HA       SER  55 -14.952  -4.384  -1.173
  403   1HB   SER  55          1HB       SER  55 -14.977  -1.474  -2.054
  404   2HB   SER  55          2HB       SER  55 -16.212  -2.695  -2.398
  405    HG   SER  55           HG       SER  55 -15.420  -2.057   0.253
  406    H    ASN  56           H        ASN  56 -12.515  -5.182  -1.896
  407    HA   ASN  56           HA       ASN  56 -12.850  -5.561  -4.667
  408   1HB   ASN  56          1HB       ASN  56 -10.844  -4.651  -5.609
  409   2HB   ASN  56          2HB       ASN  56 -11.718  -3.330  -4.850
  410   1HD2  ASN  56          1HD2      ASN  56  -9.661  -2.153  -4.949
  411   2HD2  ASN  56          2HD2      ASN  56  -8.430  -2.475  -3.743
  412    H    ASN  57           H        ASN  57 -10.828  -6.930  -5.458
  413    HA   ASN  57           HA       ASN  57  -9.533  -8.758  -5.199
  414   1HB   ASN  57          1HB       ASN  57  -8.386  -6.955  -3.707
  415   2HB   ASN  57          2HB       ASN  57  -8.955  -7.908  -2.329
  416   1HD2  ASN  57          1HD2      ASN  57  -6.223  -7.335  -2.940
  417   2HD2  ASN  57          2HD2      ASN  57  -5.419  -8.790  -3.456
  418    H    GLY  58           H        GLY  58  -9.084 -10.598  -3.176
  419   1HA   GLY  58          1HA       GLY  58 -11.773 -11.629  -2.424
  420   2HA   GLY  58          2HA       GLY  58 -10.246 -12.498  -2.356
  421    HA   PRO  59           HA       PRO  59 -10.076 -11.460   1.827
  422   1HB   PRO  59          1HB       PRO  59  -7.429 -11.604   2.532
  423   2HB   PRO  59          2HB       PRO  59  -8.266 -12.993   1.775
  424   1HG   PRO  59          1HG       PRO  59  -6.575 -10.883   0.394
  425   2HG   PRO  59          2HG       PRO  59  -6.412 -12.658   0.270
  426   1HD   PRO  59          1HD       PRO  59  -7.804 -11.196  -1.564
  427   2HD   PRO  59          2HD       PRO  59  -8.347 -12.826  -1.074
  428    H    THR  60           H        THR  60  -9.505 -10.258   3.588
  429    HA   THR  60           HA       THR  60  -8.852  -7.413   3.078
  430    HB   THR  60           HB       THR  60 -11.430  -8.620   2.947
  431    HG1  THR  60           HG1      THR  60 -10.686  -6.886   1.836
  432   1HG2  THR  60          1HG2      THR  60 -11.430  -6.762   5.334
  433   2HG2  THR  60          2HG2      THR  60 -12.795  -7.549   4.535
  434   3HG2  THR  60          3HG2      THR  60 -11.623  -8.538   5.423
  435    H    LYS  61           H        LYS  61  -7.977  -9.891   4.811
  436    HA   LYS  61           HA       LYS  61  -7.551  -8.342   7.336
  437   1HB   LYS  61          1HB       LYS  61  -7.908 -11.333   6.904
  438   2HB   LYS  61          2HB       LYS  61  -7.129 -10.656   8.333
  439   1HG   LYS  61          1HG       LYS  61  -9.988 -10.033   7.468
  440   2HG   LYS  61          2HG       LYS  61  -9.505 -11.262   8.641
  441   1HD   LYS  61          1HD       LYS  61  -8.277  -9.270   9.883
  442   2HD   LYS  61          2HD       LYS  61  -9.273  -8.241   8.850
  443   1HE   LYS  61          1HE       LYS  61 -10.425  -8.426  10.919
  444   2HE   LYS  61          2HE       LYS  61 -11.335  -9.388   9.747
  445   1HZ   LYS  61          1HZ       LYS  61 -10.298 -11.359  10.691
  446   2HZ   LYS  61          2HZ       LYS  61  -9.429 -10.445  11.748
  447   3HZ   LYS  61          3HZ       LYS  61 -11.064 -10.501  11.861
  448    H    CYS  62           H        CYS  62  -6.182 -11.143   5.564
  449    HA   CYS  62           HA       CYS  62  -3.521  -9.898   5.621
  450   1HB   CYS  62          1HB       CYS  62  -4.437 -11.869   7.284
  451   2HB   CYS  62          2HB       CYS  62  -3.585 -12.746   6.002
  452    H    GLY  63           H        GLY  63  -2.016 -11.761   4.523
  453   1HA   GLY  63          1HA       GLY  63  -1.519 -13.022   2.655
  454   2HA   GLY  63          2HA       GLY  63  -3.204 -12.920   2.115
  455    H    GLY  64           H        GLY  64  -3.726 -10.370   1.861
  456   1HA   GLY  64          1HA       GLY  64  -3.293  -9.267  -0.422
  457   2HA   GLY  64          2HA       GLY  64  -3.157  -8.276   1.044
  458    H    CYS  65           H        CYS  65  -0.891  -8.457   2.078
  459    HA   CYS  65           HA       CYS  65   0.879  -7.331  -0.038
  460   1HB   CYS  65          1HB       CYS  65   0.595  -6.517   2.816
  461   2HB   CYS  65          2HB       CYS  65   1.242  -5.551   1.481
  462    H    HIS  66           H        HIS  66   0.879  -9.387   2.815
  463    HA   HIS  66           HA       HIS  66   3.857  -9.511   2.862
  464   1HB   HIS  66          1HB       HIS  66   1.767 -10.764   4.688
  465   2HB   HIS  66          2HB       HIS  66   3.506 -10.885   4.873
  466    HD1  HIS  66           HND      HIS  66   4.653  -8.137   4.946
  467    HD2  HIS  66           HD       HIS  66   0.712  -8.890   6.213
  468    HE1  HIS  66           HE       HIS  66   3.936  -6.190   6.436
  469    H    ILE  67           H        ILE  67   4.658 -10.998   1.412
  470    HA   ILE  67           HA       ILE  67   2.866 -13.150   0.431
  471    HB   ILE  67           HB       ILE  67   5.691 -12.397  -0.435
  472   1HG1  ILE  67          1HG1      ILE  67   4.136 -11.726  -2.535
  473   2HG1  ILE  67          2HG1      ILE  67   2.929 -11.475  -1.277
  474   1HG2  ILE  67          1HG2      ILE  67   5.163 -13.756  -2.412
  475   2HG2  ILE  67          2HG2      ILE  67   5.046 -14.764  -0.971
  476   3HG2  ILE  67          3HG2      ILE  67   3.567 -14.157  -1.742
  477   1HD1  ILE  67          1HD1      ILE  67   4.081  -9.412  -1.841
  478   2HD1  ILE  67          2HD1      ILE  67   4.535  -9.831  -0.195
  479   3HD1  ILE  67          3HD1      ILE  67   5.669 -10.143  -1.522
  480    H    LYS  68           H        LYS  68   2.776 -13.912   2.785
  481    HA   LYS  68           HA       LYS  68   4.421 -16.193   3.114
  482   1HB   LYS  68          1HB       LYS  68   5.364 -13.671   4.290
  483   2HB   LYS  68          2HB       LYS  68   4.922 -14.774   5.579
  484   1HG   LYS  68          1HG       LYS  68   6.707 -15.618   3.263
  485   2HG   LYS  68          2HG       LYS  68   7.342 -14.912   4.752
  486   1HD   LYS  68          1HD       LYS  68   6.369 -16.658   6.117
  487   2HD   LYS  68          2HD       LYS  68   5.519 -17.359   4.732
  488   1HE   LYS  68          1HE       LYS  68   7.698 -17.849   3.625
  489   2HE   LYS  68          2HE       LYS  68   8.562 -17.166   5.014
  490   1HZ   LYS  68          1HZ       LYS  68   6.765 -19.501   5.095
  491   2HZ   LYS  68          2HZ       LYS  68   8.411 -19.560   5.121
  492   3HZ   LYS  68          3HZ       LYS  68   7.589 -18.884   6.378
  493    HHA  HEC  69           HCM      HEC  69   8.301   6.960  -0.861
  494    HHB  HEC  69           HDM      HEC  69   7.046  10.130  -6.221
  495    HHC  HEC  69           HAM      HEC  69   1.703   6.668  -7.013
  496    HHD  HEC  69           HBM      HEC  69   2.619   4.353  -1.074
  497   1HMA  HEC  69          HM81      HEC  69   8.825  11.375  -4.537
  498   2HMA  HEC  69          HM82      HEC  69  10.295  10.408  -4.353
  499   3HMA  HEC  69          HM83      HEC  69   9.349  10.267  -5.834
  500   1HAA  HEC  69          HP71      HEC  69  10.220   7.842  -1.578
  501   2HAA  HEC  69          HP72      HEC  69  10.887   8.573  -3.020
  502   1HBA  HEC  69          HP73      HEC  69  10.009  10.834  -2.106
  503   2HBA  HEC  69          HP74      HEC  69   9.750   9.952  -0.605
  504   1HMB  HEC  69          HM11      HEC  69   5.407   9.908  -9.395
  505   2HMB  HEC  69          HM12      HEC  69   4.554  11.113  -8.396
  506   3HMB  HEC  69          HM13      HEC  69   6.246  10.726  -8.089
  507    HAB  HEC  69          HT2A      HEC  69   1.782   8.040  -8.594
  508   1HBB  HEC  69          HT21      HEC  69   3.197  10.250 -10.050
  509   2HBB  HEC  69          HT22      HEC  69   3.535   8.529 -10.376
  510   3HBB  HEC  69          HT23      HEC  69   1.906   9.178 -10.583
  511   1HMC  HEC  69          HM31      HEC  69  -0.461   6.207  -5.883
  512   2HMC  HEC  69          HM32      HEC  69   0.212   4.754  -6.663
  513   3HMC  HEC  69          HM33      HEC  69  -0.870   4.611  -5.272
  514    HAC  HEC  69          HT4A      HEC  69   0.481   4.208  -1.617
  515   1HBC  HEC  69          HT41      HEC  69  -0.441   2.794  -4.141
  516   2HBC  HEC  69          HT42      HEC  69   0.511   2.113  -2.817
  517   3HBC  HEC  69          HT43      HEC  69  -1.190   2.577  -2.561
  518   1HMD  HEC  69          HM51      HEC  69   3.992   2.922   0.020
  519   2HMD  HEC  69          HM52      HEC  69   5.090   3.282   1.319
  520   3HMD  HEC  69          HM53      HEC  69   3.601   4.243   1.150
  521   1HAD  HEC  69          HP61      HEC  69   8.222   4.837   0.536
  522   2HAD  HEC  69          HP62      HEC  69   7.542   6.335   1.123
  523   1HBD  HEC  69          HP63      HEC  69   5.930   4.975   2.516
  524   2HBD  HEC  69          HP64      HEC  69   7.004   3.577   2.173
  525    HHA  HEC  70           HCM      HEC  70  -3.806  -5.223  -6.055
  526    HHB  HEC  70           HDM      HEC  70   0.626  -3.930  -1.577
  527    HHC  HEC  70           HAM      HEC  70  -2.339   1.533  -0.268
  528    HHD  HEC  70           HBM      HEC  70  -6.561   0.424  -4.863
  529   1HMA  HEC  70          HM81      HEC  70   0.481  -7.127  -3.650
  530   2HMA  HEC  70          HM82      HEC  70   1.404  -5.624  -3.458
  531   3HMA  HEC  70          HM83      HEC  70   0.525  -6.329  -2.072
  532   1HAA  HEC  70          HP71      HEC  70  -2.069  -6.503  -6.396
  533   2HAA  HEC  70          HP72      HEC  70  -0.461  -6.802  -5.788
  534   1HBA  HEC  70          HP73      HEC  70  -1.637  -8.862  -5.715
  535   2HBA  HEC  70          HP74      HEC  70  -1.451  -8.334  -4.041
  536   1HMB  HEC  70          HM11      HEC  70   1.791  -1.517   1.035
  537   2HMB  HEC  70          HM12      HEC  70   1.038  -3.097   0.765
  538   3HMB  HEC  70          HM13      HEC  70   2.166  -2.413  -0.442
  539    HAB  HEC  70          HT2A      HEC  70  -0.856   1.348   1.102
  540   1HBB  HEC  70          HT21      HEC  70   1.229   1.819  -0.113
  541   2HBB  HEC  70          HT22      HEC  70   1.299   2.069   1.638
  542   3HBB  HEC  70          HT23      HEC  70   2.075   0.650   0.914
  543   1HMC  HEC  70          HM31      HEC  70  -3.202   3.588  -1.133
  544   2HMC  HEC  70          HM32      HEC  70  -4.879   4.023  -1.453
  545   3HMC  HEC  70          HM33      HEC  70  -4.493   3.025  -0.043
  546    HAC  HEC  70          HT4A      HEC  70  -7.463   1.691  -3.332
  547   1HBC  HEC  70          HT41      HEC  70  -7.546   4.259  -3.548
  548   2HBC  HEC  70          HT42      HEC  70  -5.760   4.163  -3.547
  549   3HBC  HEC  70          HT43      HEC  70  -6.713   3.318  -4.799
  550   1HMD  HEC  70          HM51      HEC  70  -7.828  -0.614  -6.275
  551   2HMD  HEC  70          HM52      HEC  70  -6.918  -0.892  -7.773
  552   3HMD  HEC  70          HM53      HEC  70  -8.005  -2.145  -7.136
  553   1HAD  HEC  70          HP61      HEC  70  -5.756  -5.032  -7.405
  554   2HAD  HEC  70          HP62      HEC  70  -6.643  -3.688  -8.129
  555   1HBD  HEC  70          HP63      HEC  70  -4.301  -2.676  -8.629
  556   2HBD  HEC  70          HP64      HEC  70  -3.698  -4.314  -8.365
  557    HHA  HEC  71           HCM      HEC  71   4.692  -3.717   8.725
  558    HHB  HEC  71           HDM      HEC  71   1.548  -8.568  11.392
  559    HHC  HEC  71           HAM      HEC  71  -2.571  -8.409   6.528
  560    HHD  HEC  71           HBM      HEC  71   0.648  -3.719   3.824
  561   1HMA  HEC  71          HM81      HEC  71   4.526  -6.794  12.972
  562   2HMA  HEC  71          HM82      HEC  71   2.772  -6.954  13.106
  563   3HMA  HEC  71          HM83      HEC  71   3.752  -8.299  12.489
  564   1HAA  HEC  71          HP71      HEC  71   5.530  -4.042  10.715
  565   2HAA  HEC  71          HP72      HEC  71   5.661  -5.221  11.989
  566   1HBA  HEC  71          HP73      HEC  71   6.498  -5.794   9.116
  567   2HBA  HEC  71          HP74      HEC  71   7.589  -5.091  10.328
  568   1HMB  HEC  71          HM11      HEC  71  -0.586 -11.413  10.343
  569   2HMB  HEC  71          HM12      HEC  71   0.529 -10.487  11.319
  570   3HMB  HEC  71          HM13      HEC  71  -1.213 -10.336  11.625
  571    HAB  HEC  71          HT2A      HEC  71  -3.475  -9.595   8.063
  572   1HBB  HEC  71          HT21      HEC  71  -2.753 -11.694  10.080
  573   2HBB  HEC  71          HT22      HEC  71  -3.469 -10.120  10.529
  574   3HBB  HEC  71          HT23      HEC  71  -4.322 -11.216   9.438
  575   1HMC  HEC  71          HM31      HEC  71  -3.859  -7.656   4.706
  576   2HMC  HEC  71          HM32      HEC  71  -3.154  -7.399   3.089
  577   3HMC  HEC  71          HM33      HEC  71  -2.522  -8.655   4.173
  578    HAC  HEC  71          HT4A      HEC  71  -1.179  -3.869   2.862
  579   1HBC  HEC  71          HT41      HEC  71  -3.276  -3.858   1.813
  580   2HBC  HEC  71          HT42      HEC  71  -3.794  -5.345   2.610
  581   3HBC  HEC  71          HT43      HEC  71  -3.494  -3.880   3.574
  582   1HMD  HEC  71          HM51      HEC  71   3.675  -1.544   4.065
  583   2HMD  HEC  71          HM52      HEC  71   2.388  -2.492   3.330
  584   3HMD  HEC  71          HM53      HEC  71   1.966  -1.157   4.395
  585   1HAD  HEC  71          HP61      HEC  71   4.862  -1.331   5.859
  586   2HAD  HEC  71          HP62      HEC  71   4.773  -1.546   7.586
  587   1HBD  HEC  71          HP63      HEC  71   6.503  -2.982   7.600
  588   2HBD  HEC  71          HP64      HEC  71   5.853  -3.940   6.271
  Start of MODEL   30
    1   1H    ALA   1          1H        ALA   1   6.708   4.913  -6.846
    2   2H    ALA   1          2H        ALA   1   6.915   6.514  -6.800
    3   3H    ALA   1          3H        ALA   1   5.924   5.846  -7.931
    4    HA   ALA   1           HA       ALA   1   7.966   6.396  -9.012
    5   1HB   ALA   1          1HB       ALA   1  10.046   5.216  -8.348
    6   2HB   ALA   1          2HB       ALA   1   9.450   6.318  -7.098
    7   3HB   ALA   1          3HB       ALA   1   9.218   4.572  -6.913
    8    H    ASP   2           H        ASP   2   8.941   3.131  -8.335
    9    HA   ASP   2           HA       ASP   2   7.675   2.004 -10.703
   10   1HB   ASP   2          1HB       ASP   2   9.839   0.776 -10.781
   11   2HB   ASP   2          2HB       ASP   2   9.829   2.489 -11.212
   12    H    VAL   3           H        VAL   3   9.539   0.734  -7.938
   13    HA   VAL   3           HA       VAL   3   7.317  -0.773  -6.866
   14    HB   VAL   3           HB       VAL   3   7.630  -2.205  -8.758
   15   1HG1  VAL   3          1HG1      VAL   3   9.678  -3.426  -9.227
   16   2HG1  VAL   3          2HG1      VAL   3   9.983  -1.688  -9.356
   17   3HG1  VAL   3          3HG1      VAL   3  10.538  -2.588  -7.927
   18   1HG2  VAL   3          1HG2      VAL   3   7.101  -3.195  -6.534
   19   2HG2  VAL   3          2HG2      VAL   3   7.952  -4.310  -7.615
   20   3HG2  VAL   3          3HG2      VAL   3   8.829  -3.524  -6.290
   21    H    VAL   4           H        VAL   4   7.738  -1.099  -4.720
   22    HA   VAL   4           HA       VAL   4  10.548  -1.255  -3.806
   23    HB   VAL   4           HB       VAL   4   8.486   0.673  -2.711
   24   1HG1  VAL   4          1HG1      VAL   4  11.204  -0.151  -1.546
   25   2HG1  VAL   4          2HG1      VAL   4  10.281   1.268  -1.015
   26   3HG1  VAL   4          3HG1      VAL   4   9.645  -0.342  -0.740
   27   1HG2  VAL   4          1HG2      VAL   4  11.292   1.104  -3.745
   28   2HG2  VAL   4          2HG2      VAL   4   9.794   1.549  -4.598
   29   3HG2  VAL   4          3HG2      VAL   4  10.216   2.351  -3.072
   30    H    THR   5           H        THR   5  10.631  -2.212  -1.662
   31    HA   THR   5           HA       THR   5   8.119  -3.251  -0.746
   32    HB   THR   5           HB       THR   5   9.031  -5.284  -1.674
   33    HG1  THR   5           HG1      THR   5  10.267  -5.140   0.866
   34   1HG2  THR   5          1HG2      THR   5  11.800  -4.377  -0.798
   35   2HG2  THR   5          2HG2      THR   5  11.419  -5.981  -1.445
   36   3HG2  THR   5          3HG2      THR   5  11.193  -4.556  -2.460
   37    H    TYR   6           H        TYR   6   7.814  -3.220   1.319
   38    HA   TYR   6           HA       TYR   6   9.867  -2.094   3.142
   39   1HB   TYR   6          1HB       TYR   6   7.295  -3.281   4.100
   40   2HB   TYR   6          2HB       TYR   6   8.285  -2.028   4.823
   41    HD1  TYR   6           HD1      TYR   6   5.529  -2.814   2.689
   42    HD2  TYR   6           HD2      TYR   6   8.317   0.322   3.588
   43    HE1  TYR   6           HE1      TYR   6   4.092  -1.223   1.482
   44    HE2  TYR   6           HE2      TYR   6   6.887   1.919   2.350
   45    HH   TYR   6           HH       TYR   6   4.523   0.924   0.271
   46    H    GLU   7           H        GLU   7  11.533  -3.626   3.183
   47    HA   GLU   7           HA       GLU   7  11.007  -6.459   3.218
   48   1HB   GLU   7          1HB       GLU   7  13.546  -5.027   3.787
   49   2HB   GLU   7          2HB       GLU   7  13.319  -6.754   3.477
   50   1HG   GLU   7          1HG       GLU   7  12.431  -6.221   1.197
   51   2HG   GLU   7          2HG       GLU   7  12.719  -4.492   1.492
   52    H    ASN   8           H        ASN   8   9.602  -6.448   4.903
   53    HA   ASN   8           HA       ASN   8  10.322  -6.061   7.710
   54   1HB   ASN   8          1HB       ASN   8   8.032  -6.868   8.098
   55   2HB   ASN   8          2HB       ASN   8   8.105  -5.642   6.836
   56   1HD2  ASN   8          1HD2      ASN   8   6.405  -6.195   5.483
   57   2HD2  ASN   8          2HD2      ASN   8   6.497  -7.635   4.460
   58    H    LYS   9           H        LYS   9   9.311  -8.237   9.102
   59    HA   LYS   9           HA       LYS   9  11.349 -10.244   8.430
   60   1HB   LYS   9          1HB       LYS   9  11.029  -9.082  10.771
   61   2HB   LYS   9          2HB       LYS   9   9.677 -10.191  10.963
   62   1HG   LYS   9          1HG       LYS   9  11.947 -11.737  10.025
   63   2HG   LYS   9          2HG       LYS   9  12.550 -10.603  11.226
   64   1HD   LYS   9          1HD       LYS   9  12.026 -12.563  12.406
   65   2HD   LYS   9          2HD       LYS   9  10.735 -11.418  12.809
   66   1HE   LYS   9          1HE       LYS   9   9.219 -12.528  11.190
   67   2HE   LYS   9          2HE       LYS   9  10.536 -13.553  10.611
   68   1HZ   LYS   9          1HZ       LYS   9   9.134 -14.733  12.126
   69   2HZ   LYS   9          2HZ       LYS   9  10.640 -14.589  12.759
   70   3HZ   LYS   9          3HZ       LYS   9   9.419 -13.651  13.334
   71    H    LYS  10           H        LYS  10   7.873  -9.696   8.695
   72    HA   LYS  10           HA       LYS  10   6.841 -12.299   8.555
   73   1HB   LYS  10          1HB       LYS  10   5.844 -10.062   6.760
   74   2HB   LYS  10          2HB       LYS  10   4.949 -11.479   7.287
   75   1HG   LYS  10          1HG       LYS  10   5.777  -9.081   8.961
   76   2HG   LYS  10          2HG       LYS  10   4.204  -9.426   8.341
   77   1HD   LYS  10          1HD       LYS  10   4.099  -9.979  10.589
   78   2HD   LYS  10          2HD       LYS  10   4.007 -11.480   9.677
   79   1HE   LYS  10          1HE       LYS  10   5.766 -12.338  10.815
   80   2HE   LYS  10          2HE       LYS  10   6.784 -10.939  10.403
   81   1HZ   LYS  10          1HZ       LYS  10   4.983 -10.915  12.680
   82   2HZ   LYS  10          2HZ       LYS  10   6.615 -11.168  12.722
   83   3HZ   LYS  10          3HZ       LYS  10   6.052  -9.754  12.174
   84    H    GLY  11           H        GLY  11   7.411 -10.414   5.571
   85   1HA   GLY  11          1HA       GLY  11   9.270 -12.188   4.446
   86   2HA   GLY  11          2HA       GLY  11   7.698 -12.757   3.866
   87    H    ASN  12           H        ASN  12   8.774  -9.417   4.460
   88    HA   ASN  12           HA       ASN  12   9.207  -7.638   3.159
   89   1HB   ASN  12          1HB       ASN  12   9.521  -9.425   0.772
   90   2HB   ASN  12          2HB       ASN  12  10.235  -7.850   1.055
   91   1HD2  ASN  12          1HD2      ASN  12  11.002  -8.657   3.996
   92   2HD2  ASN  12          2HD2      ASN  12  12.430  -9.605   3.684
   93    H    VAL  13           H        VAL  13   7.482  -6.298   2.828
   94    HA   VAL  13           HA       VAL  13   5.082  -7.307   1.357
   95    HB   VAL  13           HB       VAL  13   5.613  -4.898   3.052
   96   1HG1  VAL  13          1HG1      VAL  13   4.415  -3.910   1.087
   97   2HG1  VAL  13          2HG1      VAL  13   3.317  -5.296   1.047
   98   3HG1  VAL  13          3HG1      VAL  13   3.258  -4.144   2.393
   99   1HG2  VAL  13          1HG2      VAL  13   3.194  -6.720   3.010
  100   2HG2  VAL  13          2HG2      VAL  13   4.690  -7.176   3.810
  101   3HG2  VAL  13          3HG2      VAL  13   3.822  -5.711   4.331
  102    H    THR  14           H        THR  14   5.425  -7.383  -0.740
  103    HA   THR  14           HA       THR  14   6.875  -5.378  -2.273
  104    HB   THR  14           HB       THR  14   6.667  -7.653  -3.083
  105    HG1  THR  14           HG1      THR  14   5.149  -6.129  -4.893
  106   1HG2  THR  14          1HG2      THR  14   4.603  -8.579  -3.985
  107   2HG2  THR  14          2HG2      THR  14   4.406  -8.288  -2.254
  108   3HG2  THR  14          3HG2      THR  14   3.673  -7.180  -3.431
  109    H    PHE  15           H        PHE  15   6.084  -3.442  -3.046
  110    HA   PHE  15           HA       PHE  15   3.172  -3.286  -3.433
  111   1HB   PHE  15          1HB       PHE  15   2.943  -1.060  -2.655
  112   2HB   PHE  15          2HB       PHE  15   3.458  -2.121  -1.354
  113    HD1  PHE  15           HD1      PHE  15   5.944  -2.164  -0.708
  114    HD2  PHE  15           HD2      PHE  15   4.119   0.990  -3.020
  115    HE1  PHE  15           HE1      PHE  15   7.589  -0.553   0.181
  116    HE2  PHE  15           HE2      PHE  15   5.761   2.606  -2.108
  117    HZ   PHE  15           HZ       PHE  15   7.441   1.830  -0.418
  118    H    ASP  16           H        ASP  16   3.243  -3.510  -5.538
  119    HA   ASP  16           HA       ASP  16   4.909  -2.338  -7.397
  120   1HB   ASP  16          1HB       ASP  16   1.957  -3.038  -7.628
  121   2HB   ASP  16          2HB       ASP  16   3.137  -2.881  -8.952
  122    H    HIS  17           H        HIS  17   5.277  -0.381  -6.365
  123    HA   HIS  17           HA       HIS  17   3.841   1.794  -5.816
  124   1HB   HIS  17          1HB       HIS  17   6.561   1.209  -6.350
  125   2HB   HIS  17          2HB       HIS  17   6.199   2.428  -7.538
  126    HD1  HIS  17           HND      HIS  17   8.100   2.805  -4.883
  127    HD2  HIS  17           HD       HIS  17   4.270   4.227  -5.832
  128    HE1  HIS  17           HE       HIS  17   7.875   5.099  -3.769
  129    H    LYS  18           H        LYS  18   5.147   1.116  -9.045
  130    HA   LYS  18           HA       LYS  18   3.921   3.300 -10.365
  131   1HB   LYS  18          1HB       LYS  18   5.832   2.484 -11.240
  132   2HB   LYS  18          2HB       LYS  18   5.336   0.771 -11.274
  133   1HG   LYS  18          1HG       LYS  18   3.865   1.263 -13.143
  134   2HG   LYS  18          2HG       LYS  18   4.133   3.008 -12.893
  135   1HD   LYS  18          1HD       LYS  18   6.534   2.737 -13.400
  136   2HD   LYS  18          2HD       LYS  18   6.318   0.982 -13.528
  137   1HE   LYS  18          1HE       LYS  18   4.742   1.302 -15.457
  138   2HE   LYS  18          2HE       LYS  18   4.955   3.054 -15.343
  139   1HZ   LYS  18          1HZ       LYS  18   7.085   1.116 -15.972
  140   2HZ   LYS  18          2HZ       LYS  18   6.313   2.086 -17.052
  141   3HZ   LYS  18          3HZ       LYS  18   7.271   2.752 -15.891
  142    H    ALA  19           H        ALA  19   3.127  -0.184 -10.392
  143    HA   ALA  19           HA       ALA  19   0.806  -0.227 -11.884
  144   1HB   ALA  19          1HB       ALA  19   1.145  -1.504  -9.184
  145   2HB   ALA  19          2HB       ALA  19   0.011  -2.036 -10.435
  146   3HB   ALA  19          3HB       ALA  19   1.769  -2.190 -10.715
  147    H    HIS  20           H        HIS  20   0.896   0.564  -8.323
  148    HA   HIS  20           HA       HIS  20  -1.899   1.295  -8.252
  149   1HB   HIS  20          1HB       HIS  20   0.445   2.051  -6.476
  150   2HB   HIS  20          2HB       HIS  20  -1.222   2.566  -6.188
  151    HD1  HIS  20           HND      HIS  20   0.766  -0.741  -6.372
  152    HD2  HIS  20           HD       HIS  20  -2.750   0.980  -4.824
  153    HE1  HIS  20           HE       HIS  20  -0.274  -2.458  -4.783
  154    H    ALA  21           H        ALA  21   1.088   2.995  -9.046
  155    HA   ALA  21           HA       ALA  21   0.029   5.646  -9.101
  156   1HB   ALA  21          1HB       ALA  21   2.260   4.721 -10.937
  157   2HB   ALA  21          2HB       ALA  21   1.891   6.323 -10.390
  158   3HB   ALA  21          3HB       ALA  21   2.474   5.118  -9.213
  159    H    GLU  22           H        GLU  22   0.193   3.247 -11.785
  160    HA   GLU  22           HA       GLU  22  -1.083   5.044 -13.688
  161   1HB   GLU  22          1HB       GLU  22  -1.576   2.643 -14.821
  162   2HB   GLU  22          2HB       GLU  22  -0.059   3.532 -15.027
  163   1HG   GLU  22          1HG       GLU  22   1.032   2.166 -13.376
  164   2HG   GLU  22          2HG       GLU  22  -0.504   1.376 -12.969
  165    H    LYS  23           H        LYS  23  -2.216   2.234 -11.724
  166    HA   LYS  23           HA       LYS  23  -4.811   2.285 -12.876
  167   1HB   LYS  23          1HB       LYS  23  -3.793   1.139 -10.256
  168   2HB   LYS  23          2HB       LYS  23  -5.511   1.196 -10.638
  169   1HG   LYS  23          1HG       LYS  23  -4.975  -0.900 -11.419
  170   2HG   LYS  23          2HG       LYS  23  -4.934   0.080 -12.898
  171   1HD   LYS  23          1HD       LYS  23  -2.485   0.220 -12.743
  172   2HD   LYS  23          2HD       LYS  23  -2.541  -0.724 -11.224
  173   1HE   LYS  23          1HE       LYS  23  -3.344  -2.680 -12.359
  174   2HE   LYS  23          2HE       LYS  23  -3.619  -1.785 -13.863
  175   1HZ   LYS  23          1HZ       LYS  23  -0.991  -2.280 -12.631
  176   2HZ   LYS  23          2HZ       LYS  23  -1.598  -3.051 -13.952
  177   3HZ   LYS  23          3HZ       LYS  23  -1.238  -1.447 -14.019
  178    H    LEU  24           H        LEU  24  -3.727   3.910  -9.772
  179    HA   LEU  24           HA       LEU  24  -6.305   5.268  -9.639
  180   1HB   LEU  24          1HB       LEU  24  -3.694   5.639  -8.139
  181   2HB   LEU  24          2HB       LEU  24  -5.270   6.350  -7.744
  182    HG   LEU  24           HG       LEU  24  -5.167   4.707  -6.309
  183   1HD1  LEU  24          1HD1      LEU  24  -6.490   3.161  -8.519
  184   2HD1  LEU  24          2HD1      LEU  24  -6.714   2.951  -6.770
  185   3HD1  LEU  24          3HD1      LEU  24  -7.246   4.463  -7.547
  186   1HD2  LEU  24          1HD2      LEU  24  -4.011   2.625  -8.145
  187   2HD2  LEU  24          2HD2      LEU  24  -3.142   3.578  -6.894
  188   3HD2  LEU  24          3HD2      LEU  24  -4.396   2.428  -6.435
  189    H    GLY  25           H        GLY  25  -2.907   6.235 -10.488
  190   1HA   GLY  25          1HA       GLY  25  -2.391   8.204 -11.703
  191   2HA   GLY  25          2HA       GLY  25  -3.939   8.928 -11.296
  192    H    CYS  26           H        CYS  26  -1.680   7.327  -9.062
  193    HA   CYS  26           HA       CYS  26  -0.137   8.039  -7.588
  194   1HB   CYS  26          1HB       CYS  26   0.227   9.755  -9.609
  195   2HB   CYS  26          2HB       CYS  26  -0.297  10.914  -8.392
  196    H    ASP  27           H        ASP  27  -2.791  10.317  -7.801
  197    HA   ASP  27           HA       ASP  27  -2.934  11.734  -5.474
  198   1HB   ASP  27          1HB       ASP  27  -5.339  11.713  -5.879
  199   2HB   ASP  27          2HB       ASP  27  -4.467  11.927  -7.401
  200    H    ALA  28           H        ALA  28  -4.043   8.511  -6.129
  201    HA   ALA  28           HA       ALA  28  -5.133   7.223  -4.220
  202   1HB   ALA  28          1HB       ALA  28  -2.301   6.421  -5.046
  203   2HB   ALA  28          2HB       ALA  28  -3.604   5.320  -4.570
  204   3HB   ALA  28          3HB       ALA  28  -3.702   6.287  -6.067
  205    H    CYS  29           H        CYS  29  -1.762   8.092  -3.911
  206    HA   CYS  29           HA       CYS  29  -1.821   7.836  -0.921
  207   1HB   CYS  29          1HB       CYS  29   0.489   7.114  -2.693
  208   2HB   CYS  29          2HB       CYS  29   0.240   6.724  -0.978
  209    H    HIS  30           H        HIS  30  -0.564   9.598  -3.802
  210    HA   HIS  30           HA       HIS  30   0.818  11.539  -1.985
  211   1HB   HIS  30          1HB       HIS  30   1.375  10.751  -4.853
  212   2HB   HIS  30          2HB       HIS  30   2.226  11.984  -3.943
  213    HD1  HIS  30           HND      HIS  30   3.438  10.840  -1.586
  214    HD2  HIS  30           HD       HIS  30   2.646   8.597  -4.976
  215    HE1  HIS  30           HE       HIS  30   5.168   8.848  -1.611
  216    H    GLU  31           H        GLU  31  -1.256  12.505  -1.745
  217    HA   GLU  31           HA       GLU  31  -3.056  13.421  -3.619
  218   1HB   GLU  31          1HB       GLU  31  -2.092  14.635  -0.988
  219   2HB   GLU  31          2HB       GLU  31  -3.424  15.357  -1.910
  220   1HG   GLU  31          1HG       GLU  31  -3.552  12.424  -1.448
  221   2HG   GLU  31          2HG       GLU  31  -3.735  13.448  -0.010
  222    H    GLY  32           H        GLY  32  -0.970  15.792  -2.151
  223   1HA   GLY  32          1HA       GLY  32  -1.193  17.595  -4.438
  224   2HA   GLY  32          2HA       GLY  32  -0.323  17.903  -2.929
  225    H    THR  33           H        THR  33   1.467  15.753  -2.882
  226    HA   THR  33           HA       THR  33   2.953  15.495  -5.309
  227    HB   THR  33           HB       THR  33   3.711  17.739  -4.877
  228    HG1  THR  33           HG1      THR  33   5.721  16.056  -3.751
  229   1HG2  THR  33          1HG2      THR  33   4.286  16.932  -1.990
  230   2HG2  THR  33          2HG2      THR  33   4.722  18.470  -2.754
  231   3HG2  THR  33          3HG2      THR  33   3.019  18.052  -2.536
  232    HA   PRO  34           HA       PRO  34   4.456  12.322  -2.425
  233   1HB   PRO  34          1HB       PRO  34   6.704  11.428  -3.683
  234   2HB   PRO  34          2HB       PRO  34   5.063  10.970  -4.211
  235   1HG   PRO  34          1HG       PRO  34   6.818  13.090  -5.345
  236   2HG   PRO  34          2HG       PRO  34   5.781  11.876  -6.184
  237   1HD   PRO  34          1HD       PRO  34   5.035  14.501  -5.812
  238   2HD   PRO  34          2HD       PRO  34   3.862  13.157  -5.881
  239    H    ALA  35           H        ALA  35   6.042  12.179  -0.882
  240    HA   ALA  35           HA       ALA  35   8.505  13.588  -0.776
  241   1HB   ALA  35          1HB       ALA  35   7.932  15.149   1.084
  242   2HB   ALA  35          2HB       ALA  35   7.093  15.594  -0.406
  243   3HB   ALA  35          3HB       ALA  35   6.213  14.747   0.884
  244    H    LYS  36           H        LYS  36   7.941  10.983  -0.578
  245    HA   LYS  36           HA       LYS  36   7.725   9.088   0.542
  246   1HB   LYS  36          1HB       LYS  36   8.683  10.652   2.985
  247   2HB   LYS  36          2HB       LYS  36   8.503   8.917   2.872
  248   1HG   LYS  36          1HG       LYS  36  10.105   9.031   0.827
  249   2HG   LYS  36          2HG       LYS  36  10.385  10.716   1.276
  250   1HD   LYS  36          1HD       LYS  36  12.161   9.501   2.295
  251   2HD   LYS  36          2HD       LYS  36  11.013   9.829   3.607
  252   1HE   LYS  36          1HE       LYS  36  11.204   7.554   3.982
  253   2HE   LYS  36          2HE       LYS  36  10.004   7.457   2.725
  254   1HZ   LYS  36          1HZ       LYS  36  12.874   7.000   2.363
  255   2HZ   LYS  36          2HZ       LYS  36  11.606   5.976   2.072
  256   3HZ   LYS  36          3HZ       LYS  36  11.853   7.267   1.116
  257    H    ILE  37           H        ILE  37   6.330   7.829   1.864
  258    HA   ILE  37           HA       ILE  37   4.504   9.374   3.672
  259    HB   ILE  37           HB       ILE  37   3.194   6.956   2.705
  260   1HG1  ILE  37          1HG1      ILE  37   3.852   9.007   0.591
  261   2HG1  ILE  37          2HG1      ILE  37   4.466   7.350   0.695
  262   1HG2  ILE  37          1HG2      ILE  37   2.360   9.871   2.503
  263   2HG2  ILE  37          2HG2      ILE  37   1.302   8.440   2.503
  264   3HG2  ILE  37          3HG2      ILE  37   2.186   8.871   3.964
  265   1HD1  ILE  37          1HD1      ILE  37   1.565   8.203   0.306
  266   2HD1  ILE  37          2HD1      ILE  37   2.609   7.469  -0.905
  267   3HD1  ILE  37          3HD1      ILE  37   2.107   6.519   0.514
  268    H    ALA  38           H        ALA  38   6.830   7.027   3.509
  269    HA   ALA  38           HA       ALA  38   7.711   5.589   4.929
  270   1HB   ALA  38          1HB       ALA  38   7.131   5.517   7.258
  271   2HB   ALA  38          2HB       ALA  38   7.146   7.212   6.705
  272   3HB   ALA  38          3HB       ALA  38   5.606   6.360   6.996
  273    H    ILE  39           H        ILE  39   4.184   5.395   5.476
  274    HA   ILE  39           HA       ILE  39   2.838   3.666   5.994
  275    HB   ILE  39           HB       ILE  39   4.419   2.597   3.627
  276   1HG1  ILE  39          1HG1      ILE  39   2.971   4.623   3.379
  277   2HG1  ILE  39          2HG1      ILE  39   2.576   3.291   2.309
  278   1HG2  ILE  39          1HG2      ILE  39   3.719   0.629   4.815
  279   2HG2  ILE  39          2HG2      ILE  39   2.041   1.209   4.831
  280   3HG2  ILE  39          3HG2      ILE  39   2.853   0.815   3.308
  281   1HD1  ILE  39          1HD1      ILE  39   1.053   4.189   4.781
  282   2HD1  ILE  39          2HD1      ILE  39   0.545   4.254   3.089
  283   3HD1  ILE  39          3HD1      ILE  39   0.718   2.684   3.895
  284    H    ASP  40           H        ASP  40   2.523   2.102   7.441
  285    HA   ASP  40           HA       ASP  40   4.904   0.720   8.576
  286   1HB   ASP  40          1HB       ASP  40   3.144   2.655  10.173
  287   2HB   ASP  40          2HB       ASP  40   4.378   1.583  10.835
  288    H    LYS  41           H        LYS  41   4.078  -0.720  10.391
  289    HA   LYS  41           HA       LYS  41   2.134  -2.443   9.433
  290   1HB   LYS  41          1HB       LYS  41   3.716  -3.093  11.102
  291   2HB   LYS  41          2HB       LYS  41   3.052  -1.989  12.306
  292   1HG   LYS  41          1HG       LYS  41   1.204  -4.045  11.092
  293   2HG   LYS  41          2HG       LYS  41   2.506  -4.603  12.164
  294   1HD   LYS  41          1HD       LYS  41   1.773  -3.202  13.996
  295   2HD   LYS  41          2HD       LYS  41   0.545  -2.423  12.998
  296   1HE   LYS  41          1HE       LYS  41  -0.408  -4.132  14.525
  297   2HE   LYS  41          2HE       LYS  41  -0.762  -4.419  12.816
  298   1HZ   LYS  41          1HZ       LYS  41   0.953  -6.063  12.766
  299   2HZ   LYS  41          2HZ       LYS  41   1.373  -5.768  14.335
  300   3HZ   LYS  41          3HZ       LYS  41  -0.095  -6.422  13.984
  301    H    LYS  42           H        LYS  42   1.596   0.118  11.865
  302    HA   LYS  42           HA       LYS  42  -1.289  -0.314  11.908
  303   1HB   LYS  42          1HB       LYS  42   0.398   2.059  12.818
  304   2HB   LYS  42          2HB       LYS  42  -1.362   1.923  12.989
  305   1HG   LYS  42          1HG       LYS  42  -1.014  -0.252  14.233
  306   2HG   LYS  42          2HG       LYS  42   0.730   0.086  14.235
  307   1HD   LYS  42          1HD       LYS  42   0.321   2.201  15.453
  308   2HD   LYS  42          2HD       LYS  42  -1.431   1.914  15.385
  309   1HE   LYS  42          1HE       LYS  42  -1.123  -0.203  16.697
  310   2HE   LYS  42          2HE       LYS  42   0.612   0.136  16.814
  311   1HZ   LYS  42          1HZ       LYS  42   0.066   2.139  18.032
  312   2HZ   LYS  42          2HZ       LYS  42  -1.545   1.819  17.917
  313   3HZ   LYS  42          3HZ       LYS  42  -0.566   0.818  18.775
  314    H    SER  43           H        SER  43   0.845   2.174  10.325
  315    HA   SER  43           HA       SER  43  -1.338   3.266   8.771
  316   1HB   SER  43          1HB       SER  43   1.656   3.592   8.698
  317   2HB   SER  43          2HB       SER  43   0.452   4.624   7.901
  318    HG   SER  43           HG       SER  43  -0.347   5.149  10.010
  319    H    ALA  44           H        ALA  44  -1.553   0.945   8.156
  320    HA   ALA  44           HA       ALA  44  -1.194   0.514   5.348
  321   1HB   ALA  44          1HB       ALA  44   1.089  -0.237   6.114
  322   2HB   ALA  44          2HB       ALA  44   0.341  -1.380   7.228
  323   3HB   ALA  44          3HB       ALA  44   0.116  -1.582   5.485
  324    H    HIS  45           H        HIS  45  -1.465  -0.990   8.508
  325    HA   HIS  45           HA       HIS  45  -3.564  -2.875   7.660
  326   1HB   HIS  45          1HB       HIS  45  -2.506  -2.134  10.398
  327   2HB   HIS  45          2HB       HIS  45  -3.823  -3.253  10.119
  328    HD1  HIS  45           HND      HIS  45  -2.543  -5.202  11.191
  329    HD2  HIS  45           HD       HIS  45  -0.796  -3.668   7.680
  330    HE1  HIS  45           HE       HIS  45  -0.785  -6.879  10.437
  331    H    LYS  46           H        LYS  46  -3.517   0.479   8.801
  332    HA   LYS  46           HA       LYS  46  -6.308   0.626   8.034
  333   1HB   LYS  46          1HB       LYS  46  -6.536   0.079  10.420
  334   2HB   LYS  46          2HB       LYS  46  -5.398   1.360  10.846
  335   1HG   LYS  46          1HG       LYS  46  -7.682   2.012  11.324
  336   2HG   LYS  46          2HG       LYS  46  -6.971   3.073  10.111
  337   1HD   LYS  46          1HD       LYS  46  -8.254   1.965   8.326
  338   2HD   LYS  46          2HD       LYS  46  -8.745   0.682   9.434
  339   1HE   LYS  46          1HE       LYS  46 -10.624   2.147   9.101
  340   2HE   LYS  46          2HE       LYS  46 -10.061   2.356  10.766
  341   1HZ   LYS  46          1HZ       LYS  46  -9.445   4.165   8.495
  342   2HZ   LYS  46          2HZ       LYS  46 -10.530   4.489   9.697
  343   3HZ   LYS  46          3HZ       LYS  46  -8.899   4.410   9.945
  344    H    ASP  47           H        ASP  47  -6.475   2.411   6.824
  345    HA   ASP  47           HA       ASP  47  -6.399   4.423   6.007
  346   1HB   ASP  47          1HB       ASP  47  -5.194   5.227   8.639
  347   2HB   ASP  47          2HB       ASP  47  -5.779   6.301   7.345
  348    H    ALA  48           H        ALA  48  -4.871   2.517   5.276
  349    HA   ALA  48           HA       ALA  48  -3.513   4.087   3.325
  350   1HB   ALA  48          1HB       ALA  48  -1.407   2.571   3.716
  351   2HB   ALA  48          2HB       ALA  48  -1.639   4.010   4.744
  352   3HB   ALA  48          3HB       ALA  48  -2.108   2.429   5.373
  353    H    CYS  49           H        CYS  49  -2.544   0.790   3.916
  354    HA   CYS  49           HA       CYS  49  -3.473   0.054   1.355
  355   1HB   CYS  49          1HB       CYS  49  -2.634  -1.914   3.446
  356   2HB   CYS  49          2HB       CYS  49  -2.410  -2.007   1.710
  357    H    LYS  50           H        LYS  50  -4.491  -1.326   4.557
  358    HA   LYS  50           HA       LYS  50  -6.639  -2.778   3.339
  359   1HB   LYS  50          1HB       LYS  50  -6.180  -1.977   6.214
  360   2HB   LYS  50          2HB       LYS  50  -7.607  -2.867   5.675
  361   1HG   LYS  50          1HG       LYS  50  -6.035  -4.594   4.636
  362   2HG   LYS  50          2HG       LYS  50  -4.730  -3.802   5.551
  363   1HD   LYS  50          1HD       LYS  50  -5.975  -4.175   7.650
  364   2HD   LYS  50          2HD       LYS  50  -7.300  -4.948   6.786
  365   1HE   LYS  50          1HE       LYS  50  -4.432  -6.014   6.777
  366   2HE   LYS  50          2HE       LYS  50  -5.629  -6.477   7.988
  367   1HZ   LYS  50          1HZ       LYS  50  -6.992  -7.469   6.293
  368   2HZ   LYS  50          2HZ       LYS  50  -5.982  -6.952   5.102
  369   3HZ   LYS  50          3HZ       LYS  50  -5.509  -8.085   6.200
  370    H    THR  51           H        THR  51  -6.531   0.578   4.517
  371    HA   THR  51           HA       THR  51  -9.349   1.003   4.601
  372    HB   THR  51           HB       THR  51  -6.997   2.852   4.177
  373    HG1  THR  51           HG1      THR  51  -8.165   3.517   6.285
  374   1HG2  THR  51          1HG2      THR  51  -8.553   4.758   4.483
  375   2HG2  THR  51          2HG2      THR  51  -8.757   3.956   2.926
  376   3HG2  THR  51          3HG2      THR  51  -9.930   3.663   4.232
  377    H    CYS  52           H        CYS  52  -7.044   1.357   1.817
  378    HA   CYS  52           HA       CYS  52  -9.216   1.891  -0.044
  379   1HB   CYS  52          1HB       CYS  52  -6.325   1.110  -0.234
  380   2HB   CYS  52          2HB       CYS  52  -7.399   0.750  -1.591
  381    H    HIS  53           H        HIS  53  -7.255  -1.052   0.672
  382    HA   HIS  53           HA       HIS  53  -8.470  -2.560  -1.342
  383   1HB   HIS  53          1HB       HIS  53  -7.145  -3.479   1.212
  384   2HB   HIS  53          2HB       HIS  53  -7.651  -4.551  -0.092
  385    HD1  HIS  53           HND      HIS  53  -4.928  -5.096   0.211
  386    HD2  HIS  53           HD       HIS  53  -6.069  -1.621  -1.888
  387    HE1  HIS  53           HE       HIS  53  -2.967  -4.382  -1.215
  388    H    LYS  54           H        LYS  54  -9.581  -2.123   2.032
  389    HA   LYS  54           HA       LYS  54 -11.640  -4.068   2.127
  390   1HB   LYS  54          1HB       LYS  54 -11.308  -1.297   3.328
  391   2HB   LYS  54          2HB       LYS  54 -12.824  -2.187   3.494
  392   1HG   LYS  54          1HG       LYS  54 -11.718  -4.083   4.519
  393   2HG   LYS  54          2HG       LYS  54 -10.135  -3.287   4.395
  394   1HD   LYS  54          1HD       LYS  54 -10.807  -1.515   5.882
  395   2HD   LYS  54          2HD       LYS  54 -12.517  -1.983   5.776
  396   1HE   LYS  54          1HE       LYS  54 -12.009  -4.147   6.912
  397   2HE   LYS  54          2HE       LYS  54 -10.319  -3.641   7.105
  398   1HZ   LYS  54          1HZ       LYS  54 -11.654  -3.243   9.072
  399   2HZ   LYS  54          2HZ       LYS  54 -11.097  -1.820   8.464
  400   3HZ   LYS  54          3HZ       LYS  54 -12.669  -2.257   8.239
  401    H    SER  55           H        SER  55 -11.506  -0.954   0.396
  402    HA   SER  55           HA       SER  55 -14.385  -1.133  -0.308
  403   1HB   SER  55          1HB       SER  55 -13.378   1.033   0.453
  404   2HB   SER  55          2HB       SER  55 -12.313   0.993  -0.970
  405    HG   SER  55           HG       SER  55 -14.284   0.827  -2.224
  406    H    ASN  56           H        ASN  56 -12.115  -3.056  -1.322
  407    HA   ASN  56           HA       ASN  56 -12.849  -2.849  -4.182
  408   1HB   ASN  56          1HB       ASN  56 -10.024  -3.116  -3.038
  409   2HB   ASN  56          2HB       ASN  56 -10.453  -3.552  -4.687
  410   1HD2  ASN  56          1HD2      ASN  56 -10.069  -0.762  -2.464
  411   2HD2  ASN  56          2HD2      ASN  56 -10.092   0.406  -3.771
  412    H    ASN  57           H        ASN  57 -12.151  -4.936  -5.217
  413    HA   ASN  57           HA       ASN  57 -12.791  -7.310  -3.527
  414   1HB   ASN  57          1HB       ASN  57 -12.045  -6.973  -6.467
  415   2HB   ASN  57          2HB       ASN  57 -12.228  -8.539  -5.665
  416   1HD2  ASN  57          1HD2      ASN  57 -13.783  -7.674  -7.935
  417   2HD2  ASN  57          2HD2      ASN  57 -15.448  -7.606  -7.383
  418    H    GLY  58           H        GLY  58 -11.085  -7.724  -2.089
  419   1HA   GLY  58          1HA       GLY  58  -8.429  -8.211  -3.120
  420   2HA   GLY  58          2HA       GLY  58  -8.579  -6.642  -2.290
  421    HA   PRO  59           HA       PRO  59  -7.920 -10.197   0.674
  422   1HB   PRO  59          1HB       PRO  59  -5.362  -9.709   1.548
  423   2HB   PRO  59          2HB       PRO  59  -5.644 -10.374  -0.086
  424   1HG   PRO  59          1HG       PRO  59  -5.260  -7.450   0.657
  425   2HG   PRO  59          2HG       PRO  59  -4.357  -8.368  -0.587
  426   1HD   PRO  59          1HD       PRO  59  -6.492  -6.853  -1.254
  427   2HD   PRO  59          2HD       PRO  59  -6.215  -8.439  -2.034
  428    H    THR  60           H        THR  60  -7.101 -10.166   2.981
  429    HA   THR  60           HA       THR  60  -9.212  -8.370   4.035
  430    HB   THR  60           HB       THR  60 -10.059  -9.847   2.348
  431    HG1  THR  60           HG1      THR  60 -11.647 -10.636   3.405
  432   1HG2  THR  60          1HG2      THR  60  -9.418 -12.362   3.899
  433   2HG2  THR  60          2HG2      THR  60 -10.055 -12.166   2.276
  434   3HG2  THR  60          3HG2      THR  60  -8.361 -11.790   2.579
  435    H    LYS  61           H        LYS  61  -7.868 -11.620   4.760
  436    HA   LYS  61           HA       LYS  61  -7.215 -10.811   7.533
  437   1HB   LYS  61          1HB       LYS  61  -6.860 -13.451   6.047
  438   2HB   LYS  61          2HB       LYS  61  -6.530 -13.167   7.766
  439   1HG   LYS  61          1HG       LYS  61  -9.248 -12.983   6.376
  440   2HG   LYS  61          2HG       LYS  61  -8.637 -14.353   7.306
  441   1HD   LYS  61          1HD       LYS  61  -8.477 -12.871   9.331
  442   2HD   LYS  61          2HD       LYS  61  -9.253 -11.572   8.390
  443   1HE   LYS  61          1HE       LYS  61 -11.220 -13.062   7.974
  444   2HE   LYS  61          2HE       LYS  61 -10.451 -14.342   8.926
  445   1HZ   LYS  61          1HZ       LYS  61 -10.567 -12.904  10.845
  446   2HZ   LYS  61          2HZ       LYS  61 -11.293 -11.717   9.961
  447   3HZ   LYS  61          3HZ       LYS  61 -12.057 -13.150  10.202
  448    H    CYS  62           H        CYS  62  -4.979 -12.940   6.004
  449    HA   CYS  62           HA       CYS  62  -3.036 -10.752   5.597
  450   1HB   CYS  62          1HB       CYS  62  -2.210 -13.487   6.437
  451   2HB   CYS  62          2HB       CYS  62  -1.361 -11.940   6.618
  452    H    GLY  63           H        GLY  63  -0.974 -12.167   4.598
  453   1HA   GLY  63          1HA       GLY  63  -0.195 -13.470   2.838
  454   2HA   GLY  63          2HA       GLY  63  -1.856 -13.894   2.397
  455    H    GLY  64           H        GLY  64  -3.015 -11.505   2.029
  456   1HA   GLY  64          1HA       GLY  64  -2.930 -10.541  -0.407
  457   2HA   GLY  64          2HA       GLY  64  -3.058  -9.456   1.002
  458    H    CYS  65           H        CYS  65  -0.619  -9.359   2.024
  459    HA   CYS  65           HA       CYS  65   0.865  -7.795  -0.058
  460   1HB   CYS  65          1HB       CYS  65   0.514  -7.177   2.857
  461   2HB   CYS  65          2HB       CYS  65   1.125  -6.093   1.599
  462    H    HIS  66           H        HIS  66   1.199  -9.440   3.120
  463    HA   HIS  66           HA       HIS  66   4.105  -9.598   2.928
  464   1HB   HIS  66          1HB       HIS  66   2.143 -11.093   4.721
  465   2HB   HIS  66          2HB       HIS  66   3.885 -11.066   4.896
  466    HD1  HIS  66           HND      HIS  66   4.946  -8.488   5.550
  467    HD2  HIS  66           HD       HIS  66   0.800  -9.139   5.973
  468    HE1  HIS  66           HE       HIS  66   4.083  -6.687   7.011
  469    H    ILE  67           H        ILE  67   4.959 -10.926   1.323
  470    HA   ILE  67           HA       ILE  67   3.605 -13.374   0.492
  471    HB   ILE  67           HB       ILE  67   6.439 -12.437  -0.075
  472   1HG1  ILE  67          1HG1      ILE  67   4.970 -10.686  -0.841
  473   2HG1  ILE  67          2HG1      ILE  67   5.569 -11.596  -2.219
  474   1HG2  ILE  67          1HG2      ILE  67   6.170 -14.798  -0.591
  475   2HG2  ILE  67          2HG2      ILE  67   4.646 -14.497  -1.437
  476   3HG2  ILE  67          3HG2      ILE  67   6.176 -13.889  -2.102
  477   1HD1  ILE  67          1HD1      ILE  67   3.383 -12.817  -2.351
  478   2HD1  ILE  67          2HD1      ILE  67   2.780 -11.832  -0.996
  479   3HD1  ILE  67          3HD1      ILE  67   3.219 -11.064  -2.525
  480    H    LYS  68           H        LYS  68   3.289 -14.238   2.718
  481    HA   LYS  68           HA       LYS  68   5.241 -16.266   3.165
  482   1HB   LYS  68          1HB       LYS  68   6.039 -14.158   4.557
  483   2HB   LYS  68          2HB       LYS  68   4.610 -14.458   5.541
  484   1HG   LYS  68          1HG       LYS  68   6.516 -15.510   6.577
  485   2HG   LYS  68          2HG       LYS  68   5.451 -16.777   5.990
  486   1HD   LYS  68          1HD       LYS  68   6.923 -17.554   4.457
  487   2HD   LYS  68          2HD       LYS  68   7.459 -15.954   3.950
  488   1HE   LYS  68          1HE       LYS  68   8.330 -17.236   6.580
  489   2HE   LYS  68          2HE       LYS  68   9.226 -17.426   5.065
  490   1HZ   LYS  68          1HZ       LYS  68   8.618 -14.797   6.263
  491   2HZ   LYS  68          2HZ       LYS  68  10.052 -15.589   6.439
  492   3HZ   LYS  68          3HZ       LYS  68   9.547 -15.086   4.955
  493    HHA  HEC  69           HCM      HEC  69   8.577   7.056  -1.116
  494    HHB  HEC  69           HDM      HEC  69   7.097   9.943  -6.588
  495    HHC  HEC  69           HAM      HEC  69   1.832   6.339  -7.043
  496    HHD  HEC  69           HBM      HEC  69   2.827   4.492  -0.956
  497   1HMA  HEC  69          HM81      HEC  69  10.359   9.914  -5.455
  498   2HMA  HEC  69          HM82      HEC  69   8.931  10.835  -5.963
  499   3HMA  HEC  69          HM83      HEC  69   9.656  11.148  -4.392
  500   1HAA  HEC  69          HP71      HEC  69  10.609   9.866  -2.739
  501   2HAA  HEC  69          HP72      HEC  69   9.781   9.103  -1.394
  502   1HBA  HEC  69          HP73      HEC  69  10.716   6.904  -2.110
  503   2HBA  HEC  69          HP74      HEC  69  11.541   7.717  -3.449
  504   1HMB  HEC  69          HM11      HEC  69   5.387   9.443  -9.768
  505   2HMB  HEC  69          HM12      HEC  69   4.758  10.743  -8.720
  506   3HMB  HEC  69          HM13      HEC  69   6.434  10.189  -8.586
  507    HAB  HEC  69          HT2A      HEC  69   1.841   7.683  -8.668
  508   1HBB  HEC  69          HT21      HEC  69   3.540   8.143 -10.574
  509   2HBB  HEC  69          HT22      HEC  69   1.900   8.772 -10.724
  510   3HBB  HEC  69          HT23      HEC  69   3.194   9.861 -10.247
  511   1HMC  HEC  69          HM31      HEC  69  -0.279   6.004  -5.900
  512   2HMC  HEC  69          HM32      HEC  69   0.288   4.421  -6.435
  513   3HMC  HEC  69          HM33      HEC  69  -0.783   4.563  -5.033
  514    HAC  HEC  69          HT4A      HEC  69   0.810   4.111  -1.462
  515   1HBC  HEC  69          HT41      HEC  69   0.913   2.099  -2.881
  516   2HBC  HEC  69          HT42      HEC  69  -0.680   2.350  -2.152
  517   3HBC  HEC  69          HT43      HEC  69  -0.424   2.716  -3.859
  518   1HMD  HEC  69          HM51      HEC  69   4.027   3.592   0.629
  519   2HMD  HEC  69          HM52      HEC  69   5.532   3.812   1.522
  520   3HMD  HEC  69          HM53      HEC  69   4.255   5.041   1.637
  521   1HAD  HEC  69          HP61      HEC  69   8.127   6.584   0.904
  522   2HAD  HEC  69          HP62      HEC  69   7.095   5.553   1.827
  523   1HBD  HEC  69          HP63      HEC  69   8.113   3.556   0.985
  524   2HBD  HEC  69          HP64      HEC  69   8.984   4.469  -0.265
  525    HHA  HEC  70           HCM      HEC  70  -3.808  -5.074  -6.237
  526    HHB  HEC  70           HDM      HEC  70   0.366  -4.374  -1.381
  527    HHC  HEC  70           HAM      HEC  70  -2.172   1.371  -0.243
  528    HHD  HEC  70           HBM      HEC  70  -6.608   0.418  -4.635
  529   1HMA  HEC  70          HM81      HEC  70   1.152  -6.262  -3.438
  530   2HMA  HEC  70          HM82      HEC  70   0.155  -6.644  -2.012
  531   3HMA  HEC  70          HM83      HEC  70  -0.063  -7.562  -3.495
  532   1HAA  HEC  70          HP71      HEC  70  -2.261  -6.675  -6.436
  533   2HAA  HEC  70          HP72      HEC  70  -1.019  -7.490  -5.523
  534   1HBA  HEC  70          HP73      HEC  70  -2.693  -8.174  -3.824
  535   2HBA  HEC  70          HP74      HEC  70  -3.958  -7.356  -4.755
  536   1HMB  HEC  70          HM11      HEC  70   1.141  -2.274   1.621
  537   2HMB  HEC  70          HM12      HEC  70   0.595  -3.783   0.897
  538   3HMB  HEC  70          HM13      HEC  70   1.901  -2.857   0.129
  539    HAB  HEC  70          HT2A      HEC  70  -0.897   1.007   1.261
  540   1HBB  HEC  70          HT21      HEC  70   1.242   1.424   1.978
  541   2HBB  HEC  70          HT22      HEC  70   1.859  -0.167   1.477
  542   3HBB  HEC  70          HT23      HEC  70   1.379   1.031   0.265
  543   1HMC  HEC  70          HM31      HEC  70  -2.910   3.469  -0.983
  544   2HMC  HEC  70          HM32      HEC  70  -4.548   4.023  -1.299
  545   3HMC  HEC  70          HM33      HEC  70  -4.250   2.952   0.074
  546    HAC  HEC  70          HT4A      HEC  70  -7.176   2.103  -3.485
  547   1HBC  HEC  70          HT41      HEC  70  -5.442   4.564  -3.265
  548   2HBC  HEC  70          HT42      HEC  70  -5.664   3.509  -4.683
  549   3HBC  HEC  70          HT43      HEC  70  -7.047   4.401  -4.013
  550   1HMD  HEC  70          HM51      HEC  70  -6.944  -0.050  -6.933
  551   2HMD  HEC  70          HM52      HEC  70  -7.529  -1.566  -7.644
  552   3HMD  HEC  70          HM53      HEC  70  -8.136  -1.040  -6.063
  553   1HAD  HEC  70          HP61      HEC  70  -5.581  -4.805  -7.548
  554   2HAD  HEC  70          HP62      HEC  70  -6.994  -3.789  -7.704
  555   1HBD  HEC  70          HP63      HEC  70  -5.502  -2.073  -8.887
  556   2HBD  HEC  70          HP64      HEC  70  -4.242  -3.310  -8.893
  557    HHA  HEC  71           HCM      HEC  71   4.435  -4.166   9.095
  558    HHB  HEC  71           HDM      HEC  71   1.606  -9.500  11.193
  559    HHC  HEC  71           HAM      HEC  71  -2.598  -9.001   6.428
  560    HHD  HEC  71           HBM      HEC  71   0.583  -4.128   4.010
  561   1HMA  HEC  71          HM81      HEC  71   4.308  -8.614  12.586
  562   2HMA  HEC  71          HM82      HEC  71   3.718  -7.123  13.291
  563   3HMA  HEC  71          HM83      HEC  71   2.580  -8.442  12.952
  564   1HAA  HEC  71          HP71      HEC  71   5.438  -4.778  10.990
  565   2HAA  HEC  71          HP72      HEC  71   5.541  -6.075  12.163
  566   1HBA  HEC  71          HP73      HEC  71   6.165  -6.590   9.249
  567   2HBA  HEC  71          HP74      HEC  71   7.356  -5.779  10.288
  568   1HMB  HEC  71          HM11      HEC  71  -0.671 -10.835  11.691
  569   2HMB  HEC  71          HM12      HEC  71  -1.137 -12.034  10.466
  570   3HMB  HEC  71          HM13      HEC  71   0.565 -11.651  10.698
  571    HAB  HEC  71          HT2A      HEC  71  -3.521 -10.089   7.987
  572   1HBB  HEC  71          HT21      HEC  71  -3.182 -10.837  10.880
  573   2HBB  HEC  71          HT22      HEC  71  -3.712  -9.260  10.248
  574   3HBB  HEC  71          HT23      HEC  71  -4.687 -10.712   9.951
  575   1HMC  HEC  71          HM31      HEC  71  -3.095  -7.770   2.996
  576   2HMC  HEC  71          HM32      HEC  71  -2.466  -9.071   4.011
  577   3HMC  HEC  71          HM33      HEC  71  -3.853  -8.125   4.567
  578    HAC  HEC  71          HT4A      HEC  71  -1.069  -4.406   2.800
  579   1HBC  HEC  71          HT41      HEC  71  -3.334  -4.169   3.656
  580   2HBC  HEC  71          HT42      HEC  71  -3.249  -4.254   1.892
  581   3HBC  HEC  71          HT43      HEC  71  -3.819  -5.654   2.816
  582   1HMD  HEC  71          HM51      HEC  71   2.492  -1.320   4.806
  583   2HMD  HEC  71          HM52      HEC  71   3.705  -2.438   4.195
  584   3HMD  HEC  71          HM53      HEC  71   2.024  -2.608   3.702
  585   1HAD  HEC  71          HP61      HEC  71   4.020  -1.190   6.776
  586   2HAD  HEC  71          HP62      HEC  71   4.498  -2.095   8.219
  587   1HBD  HEC  71          HP63      HEC  71   5.562  -2.494   5.432
  588   2HBD  HEC  71          HP64      HEC  71   6.419  -1.796   6.813
  Start of MODEL   31
    1   1H    ALA   1          1H        ALA   1   8.616   4.934  -6.161
    2   2H    ALA   1          2H        ALA   1   9.798   5.870  -6.818
    3   3H    ALA   1          3H        ALA   1   8.589   5.252  -7.769
    4    HA   ALA   1           HA       ALA   1  10.614   3.982  -8.077
    5   1HB   ALA   1          1HB       ALA   1  11.442   2.665  -6.125
    6   2HB   ALA   1          2HB       ALA   1  11.615   4.415  -5.878
    7   3HB   ALA   1          3HB       ALA   1  10.306   3.529  -5.071
    8    H    ASP   2           H        ASP   2   9.328   2.600  -9.453
    9    HA   ASP   2           HA       ASP   2   7.044   1.302  -8.730
   10   1HB   ASP   2          1HB       ASP   2   8.145   1.597 -11.040
   11   2HB   ASP   2          2HB       ASP   2   9.162   0.210 -10.625
   12    H    VAL   3           H        VAL   3   6.744  -1.015  -8.615
   13    HA   VAL   3           HA       VAL   3   6.715  -2.474  -6.681
   14    HB   VAL   3           HB       VAL   3   7.950  -4.497  -7.617
   15   1HG1  VAL   3          1HG1      VAL   3   5.596  -3.999  -8.155
   16   2HG1  VAL   3          2HG1      VAL   3   6.110  -2.998  -9.527
   17   3HG1  VAL   3          3HG1      VAL   3   6.438  -4.739  -9.525
   18   1HG2  VAL   3          1HG2      VAL   3   9.783  -3.252  -8.823
   19   2HG2  VAL   3          2HG2      VAL   3   8.887  -4.370  -9.861
   20   3HG2  VAL   3          3HG2      VAL   3   8.570  -2.632  -9.960
   21    H    VAL   4           H        VAL   4   7.386  -1.578  -4.834
   22    HA   VAL   4           HA       VAL   4  10.284  -1.800  -4.186
   23    HB   VAL   4           HB       VAL   4   9.621   0.462  -4.209
   24   1HG1  VAL   4          1HG1      VAL   4   7.659   1.339  -2.954
   25   2HG1  VAL   4          2HG1      VAL   4   7.269   0.422  -4.402
   26   3HG1  VAL   4          3HG1      VAL   4   7.102  -0.359  -2.813
   27   1HG2  VAL   4          1HG2      VAL   4   9.821   1.173  -1.869
   28   2HG2  VAL   4          2HG2      VAL   4   9.262  -0.405  -1.285
   29   3HG2  VAL   4          3HG2      VAL   4  10.833  -0.263  -2.104
   30    H    THR   5           H        THR   5  10.572  -2.339  -1.816
   31    HA   THR   5           HA       THR   5   8.203  -3.468  -0.654
   32    HB   THR   5           HB       THR   5   9.241  -5.444  -1.781
   33    HG1  THR   5           HG1      THR   5   8.420  -5.300   0.476
   34   1HG2  THR   5          1HG2      THR   5  11.620  -4.705  -1.838
   35   2HG2  THR   5          2HG2      THR   5  11.715  -4.899  -0.072
   36   3HG2  THR   5          3HG2      THR   5  11.433  -6.309  -1.107
   37    H    TYR   6           H        TYR   6   8.014  -3.491   1.418
   38    HA   TYR   6           HA       TYR   6  10.206  -2.324   3.093
   39   1HB   TYR   6          1HB       TYR   6   7.367  -3.018   3.872
   40   2HB   TYR   6          2HB       TYR   6   8.566  -2.206   4.870
   41    HD1  TYR   6           HD1      TYR   6   9.656  -0.217   2.763
   42    HD2  TYR   6           HD2      TYR   6   5.623  -1.438   3.719
   43    HE1  TYR   6           HE1      TYR   6   8.775   1.871   1.828
   44    HE2  TYR   6           HE2      TYR   6   4.792   0.697   2.799
   45    HH   TYR   6           HH       TYR   6   6.976   3.314   1.808
   46    H    GLU   7           H        GLU   7  11.678  -3.853   3.366
   47    HA   GLU   7           HA       GLU   7  11.080  -6.655   3.768
   48   1HB   GLU   7          1HB       GLU   7  13.500  -6.728   4.385
   49   2HB   GLU   7          2HB       GLU   7  13.059  -6.361   2.716
   50   1HG   GLU   7          1HG       GLU   7  13.605  -4.000   2.984
   51   2HG   GLU   7          2HG       GLU   7  13.822  -4.209   4.738
   52    H    ASN   8           H        ASN   8   9.592  -6.258   5.273
   53    HA   ASN   8           HA       ASN   8  10.200  -5.631   8.098
   54   1HB   ASN   8          1HB       ASN   8   7.855  -6.070   8.487
   55   2HB   ASN   8          2HB       ASN   8   7.976  -5.085   7.034
   56   1HD2  ASN   8          1HD2      ASN   8   7.646  -6.072   4.949
   57   2HD2  ASN   8          2HD2      ASN   8   6.854  -7.651   4.830
   58    H    LYS   9           H        LYS   9   9.355  -7.436   9.745
   59    HA   LYS   9           HA       LYS   9  11.182  -9.604   9.242
   60   1HB   LYS   9          1HB       LYS   9  10.431  -8.261  11.432
   61   2HB   LYS   9          2HB       LYS   9   9.282  -9.571  11.619
   62   1HG   LYS   9          1HG       LYS   9  12.256 -10.123  11.180
   63   2HG   LYS   9          2HG       LYS   9  11.691  -9.505  12.720
   64   1HD   LYS   9          1HD       LYS   9  11.933 -11.866  12.874
   65   2HD   LYS   9          2HD       LYS   9  10.234 -11.415  13.091
   66   1HE   LYS   9          1HE       LYS   9   9.606 -12.264  10.981
   67   2HE   LYS   9          2HE       LYS   9  11.281 -12.265  10.364
   68   1HZ   LYS   9          1HZ       LYS   9  11.741 -14.084  11.840
   69   2HZ   LYS   9          2HZ       LYS   9  10.189 -14.082  12.404
   70   3HZ   LYS   9          3HZ       LYS   9  10.498 -14.446  10.830
   71    H    LYS  10           H        LYS  10   7.616  -9.315   9.628
   72    HA   LYS  10           HA       LYS  10   7.232 -12.128   9.725
   73   1HB   LYS  10          1HB       LYS  10   5.038 -11.807   9.984
   74   2HB   LYS  10          2HB       LYS  10   5.719 -10.324  10.608
   75   1HG   LYS  10          1HG       LYS  10   4.365  -9.159   9.281
   76   2HG   LYS  10          2HG       LYS  10   5.159  -9.767   7.860
   77   1HD   LYS  10          1HD       LYS  10   2.852 -11.156   9.326
   78   2HD   LYS  10          2HD       LYS  10   2.698 -10.168   7.875
   79   1HE   LYS  10          1HE       LYS  10   4.422 -11.797   6.812
   80   2HE   LYS  10          2HE       LYS  10   4.074 -12.872   8.170
   81   1HZ   LYS  10          1HZ       LYS  10   2.060 -11.813   6.301
   82   2HZ   LYS  10          2HZ       LYS  10   2.782 -13.257   6.114
   83   3HZ   LYS  10          3HZ       LYS  10   1.812 -12.997   7.426
   84    H    GLY  11           H        GLY  11   7.305 -10.022   6.884
   85   1HA   GLY  11          1HA       GLY  11   8.124 -12.040   5.154
   86   2HA   GLY  11          2HA       GLY  11   6.347 -12.033   5.043
   87    H    ASN  12           H        ASN  12   8.949 -10.839   3.512
   88    HA   ASN  12           HA       ASN  12   8.957  -8.149   3.352
   89   1HB   ASN  12          1HB       ASN  12   9.109  -9.966   0.923
   90   2HB   ASN  12          2HB       ASN  12   9.704  -8.310   1.020
   91   1HD2  ASN  12          1HD2      ASN  12  10.728  -8.950   3.962
   92   2HD2  ASN  12          2HD2      ASN  12  12.224  -9.768   3.582
   93    H    VAL  13           H        VAL  13   7.642  -6.564   2.929
   94    HA   VAL  13           HA       VAL  13   4.907  -7.080   1.878
   95    HB   VAL  13           HB       VAL  13   6.320  -5.005   3.548
   96   1HG1  VAL  13          1HG1      VAL  13   5.248  -3.487   1.941
   97   2HG1  VAL  13          2HG1      VAL  13   3.735  -4.407   2.090
   98   3HG1  VAL  13          3HG1      VAL  13   4.454  -3.517   3.481
   99   1HG2  VAL  13          1HG2      VAL  13   4.967  -7.016   4.358
  100   2HG2  VAL  13          2HG2      VAL  13   4.560  -5.448   5.060
  101   3HG2  VAL  13          3HG2      VAL  13   3.524  -6.168   3.799
  102    H    THR  14           H        THR  14   5.148  -7.267  -0.331
  103    HA   THR  14           HA       THR  14   6.849  -5.271  -1.752
  104    HB   THR  14           HB       THR  14   5.241  -7.577  -2.877
  105    HG1  THR  14           HG1      THR  14   6.998  -8.123  -1.394
  106   1HG2  THR  14          1HG2      THR  14   6.774  -7.296  -4.813
  107   2HG2  THR  14          2HG2      THR  14   5.792  -5.842  -4.551
  108   3HG2  THR  14          3HG2      THR  14   7.495  -5.871  -4.038
  109    H    PHE  15           H        PHE  15   5.888  -3.397  -2.492
  110    HA   PHE  15           HA       PHE  15   2.958  -3.478  -3.015
  111   1HB   PHE  15          1HB       PHE  15   2.616  -1.325  -2.019
  112   2HB   PHE  15          2HB       PHE  15   3.240  -2.460  -0.826
  113    HD1  PHE  15           HD1      PHE  15   3.754   0.725  -2.439
  114    HD2  PHE  15           HD2      PHE  15   5.675  -2.407  -0.174
  115    HE1  PHE  15           HE1      PHE  15   5.512   2.311  -1.719
  116    HE2  PHE  15           HE2      PHE  15   7.458  -0.833   0.481
  117    HZ   PHE  15           HZ       PHE  15   7.337   1.529  -0.227
  118    H    ASP  16           H        ASP  16   2.574  -3.003  -5.020
  119    HA   ASP  16           HA       ASP  16   4.544  -1.879  -6.762
  120   1HB   ASP  16          1HB       ASP  16   1.629  -2.046  -7.474
  121   2HB   ASP  16          2HB       ASP  16   3.077  -2.438  -8.433
  122    H    HIS  17           H        HIS  17   4.437   0.215  -7.748
  123    HA   HIS  17           HA       HIS  17   3.152   2.283  -5.969
  124   1HB   HIS  17          1HB       HIS  17   5.367   1.684  -5.241
  125   2HB   HIS  17          2HB       HIS  17   6.022   1.899  -6.851
  126    HD1  HIS  17           HND      HIS  17   7.458   3.410  -4.693
  127    HD2  HIS  17           HD       HIS  17   3.839   4.847  -6.265
  128    HE1  HIS  17           HE       HIS  17   7.349   5.829  -4.133
  129    H    LYS  18           H        LYS  18   5.387   2.461  -8.728
  130    HA   LYS  18           HA       LYS  18   4.083   4.379 -10.338
  131   1HB   LYS  18          1HB       LYS  18   6.220   3.777 -10.938
  132   2HB   LYS  18          2HB       LYS  18   5.927   2.069 -10.725
  133   1HG   LYS  18          1HG       LYS  18   4.748   3.600 -13.080
  134   2HG   LYS  18          2HG       LYS  18   6.345   2.837 -13.017
  135   1HD   LYS  18          1HD       LYS  18   5.032   0.695 -12.246
  136   2HD   LYS  18          2HD       LYS  18   3.670   1.504 -13.052
  137   1HE   LYS  18          1HE       LYS  18   4.488   0.090 -14.655
  138   2HE   LYS  18          2HE       LYS  18   5.077   1.684 -15.136
  139   1HZ   LYS  18          1HZ       LYS  18   6.651  -0.296 -13.579
  140   2HZ   LYS  18          2HZ       LYS  18   6.748  -0.148 -15.220
  141   3HZ   LYS  18          3HZ       LYS  18   7.222   1.078 -14.222
  142    H    ALA  19           H        ALA  19   3.782   0.821 -10.373
  143    HA   ALA  19           HA       ALA  19   1.626   0.381 -12.012
  144   1HB   ALA  19          1HB       ALA  19   2.023  -0.688  -9.236
  145   2HB   ALA  19          2HB       ALA  19   1.008  -1.471 -10.474
  146   3HB   ALA  19          3HB       ALA  19   2.776  -1.365 -10.706
  147    H    HIS  20           H        HIS  20   1.218   1.178  -8.487
  148    HA   HIS  20           HA       HIS  20  -1.640   1.407  -8.648
  149   1HB   HIS  20          1HB       HIS  20   0.395   2.421  -6.631
  150   2HB   HIS  20          2HB       HIS  20  -1.334   2.765  -6.529
  151    HD1  HIS  20           HND      HIS  20   0.296  -0.676  -7.244
  152    HD2  HIS  20           HD       HIS  20  -2.239   1.349  -4.615
  153    HE1  HIS  20           HE       HIS  20  -0.623  -2.439  -5.627
  154    H    ALA  21           H        ALA  21   1.044   3.626  -9.272
  155    HA   ALA  21           HA       ALA  21  -0.480   6.057  -9.285
  156   1HB   ALA  21          1HB       ALA  21   2.042   5.918  -9.268
  157   2HB   ALA  21          2HB       ALA  21   1.991   5.518 -10.989
  158   3HB   ALA  21          3HB       ALA  21   1.340   7.038 -10.475
  159    H    GLU  22           H        GLU  22   0.459   3.922 -11.961
  160    HA   GLU  22           HA       GLU  22  -0.943   5.518 -13.936
  161   1HB   GLU  22          1HB       GLU  22  -0.391   3.784 -15.554
  162   2HB   GLU  22          2HB       GLU  22   1.008   4.302 -14.609
  163   1HG   GLU  22          1HG       GLU  22   0.743   2.238 -13.193
  164   2HG   GLU  22          2HG       GLU  22  -0.539   1.701 -14.290
  165    H    LYS  23           H        LYS  23  -1.710   2.499 -12.180
  166    HA   LYS  23           HA       LYS  23  -4.216   2.015 -13.353
  167   1HB   LYS  23          1HB       LYS  23  -3.131   1.473 -10.563
  168   2HB   LYS  23          2HB       LYS  23  -4.592   0.721 -11.209
  169   1HG   LYS  23          1HG       LYS  23  -1.967   0.524 -12.769
  170   2HG   LYS  23          2HG       LYS  23  -2.233  -0.510 -11.381
  171   1HD   LYS  23          1HD       LYS  23  -4.421  -0.277 -13.430
  172   2HD   LYS  23          2HD       LYS  23  -2.937  -1.143 -13.893
  173   1HE   LYS  23          1HE       LYS  23  -3.088  -2.670 -12.023
  174   2HE   LYS  23          2HE       LYS  23  -4.357  -1.704 -11.260
  175   1HZ   LYS  23          1HZ       LYS  23  -5.026  -2.941 -13.828
  176   2HZ   LYS  23          2HZ       LYS  23  -4.868  -3.852 -12.430
  177   3HZ   LYS  23          3HZ       LYS  23  -5.904  -2.688 -12.382
  178    H    LEU  24           H        LEU  24  -3.545   3.807 -10.245
  179    HA   LEU  24           HA       LEU  24  -6.348   4.637 -10.130
  180   1HB   LEU  24          1HB       LEU  24  -3.950   5.245  -8.366
  181   2HB   LEU  24          2HB       LEU  24  -5.591   5.824  -8.123
  182    HG   LEU  24           HG       LEU  24  -4.832   3.941  -6.716
  183   1HD1  LEU  24          1HD1      LEU  24  -7.405   3.518  -8.293
  184   2HD1  LEU  24          2HD1      LEU  24  -7.062   2.897  -6.665
  185   3HD1  LEU  24          3HD1      LEU  24  -7.195   4.641  -6.929
  186   1HD2  LEU  24          1HD2      LEU  24  -5.084   1.659  -7.390
  187   2HD2  LEU  24          2HD2      LEU  24  -5.336   2.134  -9.080
  188   3HD2  LEU  24          3HD2      LEU  24  -3.775   2.436  -8.261
  189    H    GLY  25           H        GLY  25  -3.126   6.397 -10.377
  190   1HA   GLY  25          1HA       GLY  25  -3.616   8.365 -12.034
  191   2HA   GLY  25          2HA       GLY  25  -4.540   8.971 -10.641
  192    H    CYS  26           H        CYS  26  -3.446   9.231  -8.632
  193    HA   CYS  26           HA       CYS  26  -0.757   8.768  -8.004
  194   1HB   CYS  26          1HB       CYS  26  -0.482  10.673  -9.911
  195   2HB   CYS  26          2HB       CYS  26  -1.015  11.726  -8.630
  196    H    ASP  27           H        ASP  27  -3.243  11.056  -7.966
  197    HA   ASP  27           HA       ASP  27  -3.515  12.414  -5.581
  198   1HB   ASP  27          1HB       ASP  27  -5.926  12.188  -6.125
  199   2HB   ASP  27          2HB       ASP  27  -4.965  12.679  -7.524
  200    H    ALA  28           H        ALA  28  -4.448   9.190  -6.476
  201    HA   ALA  28           HA       ALA  28  -5.784   8.036  -4.512
  202   1HB   ALA  28          1HB       ALA  28  -4.791   5.947  -5.214
  203   2HB   ALA  28          2HB       ALA  28  -4.786   7.051  -6.600
  204   3HB   ALA  28          3HB       ALA  28  -3.287   6.750  -5.708
  205    H    CYS  29           H        CYS  29  -2.315   8.670  -4.350
  206    HA   CYS  29           HA       CYS  29  -2.326   8.121  -1.391
  207   1HB   CYS  29          1HB       CYS  29  -0.052   7.627  -3.289
  208   2HB   CYS  29          2HB       CYS  29  -0.098   7.265  -1.553
  209    H    HIS  30           H        HIS  30  -0.890   9.991  -4.124
  210    HA   HIS  30           HA       HIS  30   0.259  11.931  -2.155
  211   1HB   HIS  30          1HB       HIS  30   0.845  11.497  -5.089
  212   2HB   HIS  30          2HB       HIS  30   1.592  12.700  -4.052
  213    HD1  HIS  30           HND      HIS  30   3.035  11.534  -1.912
  214    HD2  HIS  30           HD       HIS  30   2.094   9.306  -5.287
  215    HE1  HIS  30           HE       HIS  30   4.792   9.563  -2.065
  216    H    GLU  31           H        GLU  31  -1.788  12.820  -1.747
  217    HA   GLU  31           HA       GLU  31  -3.544  13.975  -3.675
  218   1HB   GLU  31          1HB       GLU  31  -2.992  15.285  -0.963
  219   2HB   GLU  31          2HB       GLU  31  -4.476  15.225  -1.915
  220   1HG   GLU  31          1HG       GLU  31  -4.348  12.688  -1.586
  221   2HG   GLU  31          2HG       GLU  31  -3.173  12.999  -0.299
  222    H    GLY  32           H        GLY  32  -0.886  15.261  -1.847
  223   1HA   GLY  32          1HA       GLY  32  -0.437  17.551  -3.743
  224   2HA   GLY  32          2HA       GLY  32  -0.013  17.539  -2.024
  225    H    THR  33           H        THR  33   2.141  17.913  -2.407
  226    HA   THR  33           HA       THR  33   3.610  16.720  -4.477
  227    HB   THR  33           HB       THR  33   4.185  18.868  -3.605
  228    HG1  THR  33           HG1      THR  33   5.860  17.729  -4.557
  229   1HG2  THR  33          1HG2      THR  33   5.165  17.517  -1.055
  230   2HG2  THR  33          2HG2      THR  33   5.325  19.225  -1.488
  231   3HG2  THR  33          3HG2      THR  33   3.721  18.545  -1.175
  232    HA   PRO  34           HA       PRO  34   4.730  12.837  -2.389
  233   1HB   PRO  34          1HB       PRO  34   6.255  11.727  -4.262
  234   2HB   PRO  34          2HB       PRO  34   4.488  11.858  -4.466
  235   1HG   PRO  34          1HG       PRO  34   6.581  13.614  -5.677
  236   2HG   PRO  34          2HG       PRO  34   5.091  12.919  -6.405
  237   1HD   PRO  34          1HD       PRO  34   5.268  15.500  -5.436
  238   2HD   PRO  34          2HD       PRO  34   3.742  14.558  -5.445
  239    H    ALA  35           H        ALA  35   6.284  12.682  -0.813
  240    HA   ALA  35           HA       ALA  35   9.114  13.146  -1.460
  241   1HB   ALA  35          1HB       ALA  35   7.665  14.729   0.710
  242   2HB   ALA  35          2HB       ALA  35   9.422  14.715   0.423
  243   3HB   ALA  35          3HB       ALA  35   8.328  15.395  -0.800
  244    H    LYS  36           H        LYS  36   8.188  10.769  -1.208
  245    HA   LYS  36           HA       LYS  36   7.860   8.871  -0.147
  246   1HB   LYS  36          1HB       LYS  36   9.485   9.988   2.163
  247   2HB   LYS  36          2HB       LYS  36   9.010   8.312   1.919
  248   1HG   LYS  36          1HG       LYS  36  10.224   8.468  -0.381
  249   2HG   LYS  36          2HG       LYS  36  10.891   9.995   0.210
  250   1HD   LYS  36          1HD       LYS  36  12.552   8.435   0.759
  251   2HD   LYS  36          2HD       LYS  36  11.646   8.583   2.272
  252   1HE   LYS  36          1HE       LYS  36  11.721   6.266   2.070
  253   2HE   LYS  36          2HE       LYS  36  10.211   6.557   1.239
  254   1HZ   LYS  36          1HZ       LYS  36  11.811   6.725  -0.808
  255   2HZ   LYS  36          2HZ       LYS  36  12.770   5.783   0.078
  256   3HZ   LYS  36          3HZ       LYS  36  11.234   5.302  -0.332
  257    H    ILE  37           H        ILE  37   6.711   7.755   1.539
  258    HA   ILE  37           HA       ILE  37   4.881   9.521   3.124
  259    HB   ILE  37           HB       ILE  37   4.018   6.832   2.047
  260   1HG1  ILE  37          1HG1      ILE  37   3.673   9.554   0.756
  261   2HG1  ILE  37          2HG1      ILE  37   4.470   8.110   0.106
  262   1HG2  ILE  37          1HG2      ILE  37   2.854   7.812   4.047
  263   2HG2  ILE  37          2HG2      ILE  37   2.451   9.240   3.073
  264   3HG2  ILE  37          3HG2      ILE  37   1.788   7.648   2.652
  265   1HD1  ILE  37          1HD1      ILE  37   2.337   8.268  -0.976
  266   2HD1  ILE  37          2HD1      ILE  37   2.209   6.938   0.189
  267   3HD1  ILE  37          3HD1      ILE  37   1.489   8.523   0.552
  268    H    ALA  38           H        ALA  38   6.201   6.331   2.774
  269    HA   ALA  38           HA       ALA  38   7.252   4.863   4.156
  270   1HB   ALA  38          1HB       ALA  38   7.181   6.974   6.339
  271   2HB   ALA  38          2HB       ALA  38   8.164   5.502   6.273
  272   3HB   ALA  38          3HB       ALA  38   8.429   6.802   5.083
  273    H    ILE  39           H        ILE  39   5.328   3.671   3.796
  274    HA   ILE  39           HA       ILE  39   3.177   3.936   5.828
  275    HB   ILE  39           HB       ILE  39   3.331   2.606   3.138
  276   1HG1  ILE  39          1HG1      ILE  39   3.027   5.049   3.145
  277   2HG1  ILE  39          2HG1      ILE  39   1.596   4.179   2.632
  278   1HG2  ILE  39          1HG2      ILE  39   0.817   2.201   3.591
  279   2HG2  ILE  39          2HG2      ILE  39   1.976   1.082   4.302
  280   3HG2  ILE  39          3HG2      ILE  39   1.237   2.348   5.311
  281   1HD1  ILE  39          1HD1      ILE  39   0.621   4.517   4.963
  282   2HD1  ILE  39          2HD1      ILE  39   1.965   5.647   5.255
  283   3HD1  ILE  39          3HD1      ILE  39   0.805   5.956   3.963
  284    H    ASP  40           H        ASP  40   4.177   3.303   7.475
  285    HA   ASP  40           HA       ASP  40   5.451   0.632   7.760
  286   1HB   ASP  40          1HB       ASP  40   4.686   2.542  10.001
  287   2HB   ASP  40          2HB       ASP  40   5.843   1.213  10.059
  288    H    LYS  41           H        LYS  41   4.503  -0.933   9.311
  289    HA   LYS  41           HA       LYS  41   1.937  -1.756   9.094
  290   1HB   LYS  41          1HB       LYS  41   2.188  -2.481  11.566
  291   2HB   LYS  41          2HB       LYS  41   3.160  -3.194  10.308
  292   1HG   LYS  41          1HG       LYS  41   5.117  -2.452  11.115
  293   2HG   LYS  41          2HG       LYS  41   4.489  -0.891  11.642
  294   1HD   LYS  41          1HD       LYS  41   3.462  -1.835  13.587
  295   2HD   LYS  41          2HD       LYS  41   3.819  -3.493  13.090
  296   1HE   LYS  41          1HE       LYS  41   6.074  -1.473  13.454
  297   2HE   LYS  41          2HE       LYS  41   5.350  -2.255  14.866
  298   1HZ   LYS  41          1HZ       LYS  41   6.576  -3.829  12.636
  299   2HZ   LYS  41          2HZ       LYS  41   7.299  -3.440  14.032
  300   3HZ   LYS  41          3HZ       LYS  41   5.971  -4.386  13.995
  301    H    LYS  42           H        LYS  42   3.026   0.586  11.393
  302    HA   LYS  42           HA       LYS  42   0.803   1.075  12.918
  303   1HB   LYS  42          1HB       LYS  42   3.377   2.107  12.607
  304   2HB   LYS  42          2HB       LYS  42   2.425   3.500  12.120
  305   1HG   LYS  42          1HG       LYS  42   1.420   3.665  14.259
  306   2HG   LYS  42          2HG       LYS  42   1.873   1.994  14.693
  307   1HD   LYS  42          1HD       LYS  42   4.279   2.594  14.677
  308   2HD   LYS  42          2HD       LYS  42   3.889   4.228  14.153
  309   1HE   LYS  42          1HE       LYS  42   4.452   4.168  16.535
  310   2HE   LYS  42          2HE       LYS  42   2.791   4.723  16.285
  311   1HZ   LYS  42          1HZ       LYS  42   2.026   2.543  16.903
  312   2HZ   LYS  42          2HZ       LYS  42   3.568   1.983  17.068
  313   3HZ   LYS  42          3HZ       LYS  42   2.995   3.138  18.087
  314    H    SER  43           H        SER  43   1.510   2.496   9.742
  315    HA   SER  43           HA       SER  43  -1.102   3.898   9.668
  316   1HB   SER  43          1HB       SER  43   1.199   3.833   7.675
  317   2HB   SER  43          2HB       SER  43  -0.245   4.856   7.608
  318    HG   SER  43           HG       SER  43   0.445   5.709   9.674
  319    H    ALA  44           H        ALA  44   0.828   1.615   7.793
  320    HA   ALA  44           HA       ALA  44  -0.675   0.843   5.716
  321   1HB   ALA  44          1HB       ALA  44   0.648  -1.001   5.588
  322   2HB   ALA  44          2HB       ALA  44   1.682   0.186   6.395
  323   3HB   ALA  44          3HB       ALA  44   0.926  -1.130   7.320
  324    H    HIS  45           H        HIS  45  -0.860  -0.739   8.943
  325    HA   HIS  45           HA       HIS  45  -3.046  -2.493   7.989
  326   1HB   HIS  45          1HB       HIS  45  -1.105  -2.499  10.261
  327   2HB   HIS  45          2HB       HIS  45  -2.715  -3.085  10.630
  328    HD1  HIS  45           HND      HIS  45  -3.555  -5.294   9.434
  329    HD2  HIS  45           HD       HIS  45   0.388  -4.100   8.608
  330    HE1  HIS  45           HE       HIS  45  -2.399  -7.280   8.316
  331    H    LYS  46           H        LYS  46  -2.861   0.648   9.226
  332    HA   LYS  46           HA       LYS  46  -5.314   0.399  10.878
  333   1HB   LYS  46          1HB       LYS  46  -3.439   1.483  11.899
  334   2HB   LYS  46          2HB       LYS  46  -3.256   2.620  10.568
  335   1HG   LYS  46          1HG       LYS  46  -5.955   2.535  11.855
  336   2HG   LYS  46          2HG       LYS  46  -4.633   3.110  12.882
  337   1HD   LYS  46          1HD       LYS  46  -3.984   4.828  11.345
  338   2HD   LYS  46          2HD       LYS  46  -5.081   4.261  10.098
  339   1HE   LYS  46          1HE       LYS  46  -5.940   5.410  12.793
  340   2HE   LYS  46          2HE       LYS  46  -5.907   6.288  11.256
  341   1HZ   LYS  46          1HZ       LYS  46  -7.613   3.942  11.810
  342   2HZ   LYS  46          2HZ       LYS  46  -8.109   5.503  11.679
  343   3HZ   LYS  46          3HZ       LYS  46  -7.537   4.702  10.384
  344    H    ASP  47           H        ASP  47  -4.005   2.626   8.364
  345    HA   ASP  47           HA       ASP  47  -6.281   2.319   6.677
  346   1HB   ASP  47          1HB       ASP  47  -6.143   4.900   8.275
  347   2HB   ASP  47          2HB       ASP  47  -6.729   4.875   6.631
  348    H    ALA  48           H        ALA  48  -4.406   1.626   5.549
  349    HA   ALA  48           HA       ALA  48  -3.936   3.714   3.625
  350   1HB   ALA  48          1HB       ALA  48  -1.417   3.240   3.443
  351   2HB   ALA  48          2HB       ALA  48  -1.964   4.306   4.746
  352   3HB   ALA  48          3HB       ALA  48  -1.524   2.647   5.120
  353    H    CYS  49           H        CYS  49  -2.223   0.572   4.201
  354    HA   CYS  49           HA       CYS  49  -3.069  -0.276   1.547
  355   1HB   CYS  49          1HB       CYS  49  -1.792  -1.998   3.600
  356   2HB   CYS  49          2HB       CYS  49  -1.728  -2.178   1.858
  357    H    LYS  50           H        LYS  50  -3.720  -1.467   4.955
  358    HA   LYS  50           HA       LYS  50  -5.911  -3.157   3.924
  359   1HB   LYS  50          1HB       LYS  50  -4.384  -3.838   5.808
  360   2HB   LYS  50          2HB       LYS  50  -5.133  -2.572   6.776
  361   1HG   LYS  50          1HG       LYS  50  -6.175  -4.489   7.475
  362   2HG   LYS  50          2HG       LYS  50  -7.379  -3.784   6.413
  363   1HD   LYS  50          1HD       LYS  50  -6.759  -5.427   4.632
  364   2HD   LYS  50          2HD       LYS  50  -5.492  -6.079   5.698
  365   1HE   LYS  50          1HE       LYS  50  -7.312  -6.575   7.416
  366   2HE   LYS  50          2HE       LYS  50  -8.518  -6.112   6.212
  367   1HZ   LYS  50          1HZ       LYS  50  -6.618  -8.374   5.892
  368   2HZ   LYS  50          2HZ       LYS  50  -8.150  -8.514   6.415
  369   3HZ   LYS  50          3HZ       LYS  50  -7.893  -8.041   4.902
  370    H    THR  51           H        THR  51  -6.579  -0.817   2.984
  371    HA   THR  51           HA       THR  51  -9.121  -0.477   4.187
  372    HB   THR  51           HB       THR  51  -7.736   1.120   5.571
  373    HG1  THR  51           HG1      THR  51  -9.304   2.559   5.665
  374   1HG2  THR  51          1HG2      THR  51  -7.296   3.351   4.693
  375   2HG2  THR  51          2HG2      THR  51  -6.393   2.166   3.740
  376   3HG2  THR  51          3HG2      THR  51  -7.879   2.904   3.093
  377    H    CYS  52           H        CYS  52  -6.783   1.000   1.824
  378    HA   CYS  52           HA       CYS  52  -8.712   1.765  -0.072
  379   1HB   CYS  52          1HB       CYS  52  -5.824   1.234  -0.013
  380   2HB   CYS  52          2HB       CYS  52  -6.581   0.717  -1.514
  381    H    HIS  53           H        HIS  53  -7.105  -1.417   0.295
  382    HA   HIS  53           HA       HIS  53  -8.771  -2.589  -1.799
  383   1HB   HIS  53          1HB       HIS  53  -7.291  -4.310   0.131
  384   2HB   HIS  53          2HB       HIS  53  -7.597  -4.529  -1.579
  385    HD1  HIS  53           HND      HIS  53  -5.244  -2.763   0.856
  386    HD2  HIS  53           HD       HIS  53  -5.767  -3.113  -3.305
  387    HE1  HIS  53           HE       HIS  53  -3.141  -1.988  -0.219
  388    H    LYS  54           H        LYS  54 -10.614  -1.478  -0.571
  389    HA   LYS  54           HA       LYS  54 -12.078  -3.598   0.976
  390   1HB   LYS  54          1HB       LYS  54 -12.386  -0.595   0.829
  391   2HB   LYS  54          2HB       LYS  54 -13.760  -1.638   1.253
  392   1HG   LYS  54          1HG       LYS  54 -12.695  -2.512   3.177
  393   2HG   LYS  54          2HG       LYS  54 -11.106  -1.892   2.691
  394   1HD   LYS  54          1HD       LYS  54 -11.823   0.399   2.990
  395   2HD   LYS  54          2HD       LYS  54 -13.487  -0.099   3.328
  396   1HE   LYS  54          1HE       LYS  54 -12.909  -0.988   5.461
  397   2HE   LYS  54          2HE       LYS  54 -11.190  -1.098   5.058
  398   1HZ   LYS  54          1HZ       LYS  54 -12.616   1.454   5.432
  399   2HZ   LYS  54          2HZ       LYS  54 -11.634   0.733   6.541
  400   3HZ   LYS  54          3HZ       LYS  54 -11.009   1.255   5.131
  401    H    SER  55           H        SER  55 -13.372  -1.006  -1.051
  402    HA   SER  55           HA       SER  55 -15.252  -2.572  -2.350
  403   1HB   SER  55          1HB       SER  55 -15.172  -0.053  -2.240
  404   2HB   SER  55          2HB       SER  55 -13.946  -0.079  -3.530
  405    HG   SER  55           HG       SER  55 -16.060   0.178  -4.364
  406    H    ASN  56           H        ASN  56 -11.982  -1.751  -3.456
  407    HA   ASN  56           HA       ASN  56 -11.953  -2.828  -6.033
  408   1HB   ASN  56          1HB       ASN  56  -9.745  -2.867  -3.921
  409   2HB   ASN  56          2HB       ASN  56  -9.516  -3.143  -5.650
  410   1HD2  ASN  56          1HD2      ASN  56  -9.603  -0.614  -3.189
  411   2HD2  ASN  56          2HD2      ASN  56  -9.671   0.678  -4.354
  412    H    ASN  57           H        ASN  57 -11.580  -4.450  -2.935
  413    HA   ASN  57           HA       ASN  57 -12.474  -6.872  -3.012
  414   1HB   ASN  57          1HB       ASN  57 -10.103  -6.933  -4.879
  415   2HB   ASN  57          2HB       ASN  57 -10.025  -8.070  -3.553
  416   1HD2  ASN  57          1HD2      ASN  57 -12.198  -7.056  -6.194
  417   2HD2  ASN  57          2HD2      ASN  57 -12.965  -8.641  -6.362
  418    H    GLY  58           H        GLY  58 -11.571  -8.096  -1.157
  419   1HA   GLY  58          1HA       GLY  58  -9.645  -6.478   0.450
  420   2HA   GLY  58          2HA       GLY  58 -11.187  -7.021   1.089
  421    HA   PRO  59           HA       PRO  59  -8.110 -10.781   1.060
  422   1HB   PRO  59          1HB       PRO  59  -5.930 -10.187   2.581
  423   2HB   PRO  59          2HB       PRO  59  -5.953  -9.953   0.811
  424   1HG   PRO  59          1HG       PRO  59  -6.379  -7.863   2.951
  425   2HG   PRO  59          2HG       PRO  59  -5.384  -7.749   1.467
  426   1HD   PRO  59          1HD       PRO  59  -7.903  -6.727   1.684
  427   2HD   PRO  59          2HD       PRO  59  -7.261  -7.341   0.130
  428    H    THR  60           H        THR  60  -8.677 -12.154   2.677
  429    HA   THR  60           HA       THR  60 -10.557 -11.074   4.613
  430    HB   THR  60           HB       THR  60 -10.768 -13.676   4.879
  431    HG1  THR  60           HG1      THR  60  -9.783 -14.601   2.816
  432   1HG2  THR  60          1HG2      THR  60 -11.163 -12.446   2.102
  433   2HG2  THR  60          2HG2      THR  60 -11.933 -13.929   2.705
  434   3HG2  THR  60          3HG2      THR  60 -12.317 -12.368   3.450
  435    H    LYS  61           H        LYS  61  -8.027 -13.451   4.627
  436    HA   LYS  61           HA       LYS  61  -7.019 -12.674   7.335
  437   1HB   LYS  61          1HB       LYS  61  -6.270 -15.015   5.519
  438   2HB   LYS  61          2HB       LYS  61  -5.620 -14.704   7.138
  439   1HG   LYS  61          1HG       LYS  61  -8.517 -15.330   6.403
  440   2HG   LYS  61          2HG       LYS  61  -7.323 -16.455   7.058
  441   1HD   LYS  61          1HD       LYS  61  -7.151 -14.897   9.113
  442   2HD   LYS  61          2HD       LYS  61  -8.520 -14.009   8.436
  443   1HE   LYS  61          1HE       LYS  61  -9.416 -15.497  10.066
  444   2HE   LYS  61          2HE       LYS  61  -9.899 -16.104   8.478
  445   1HZ   LYS  61          1HZ       LYS  61  -8.130 -17.739   8.654
  446   2HZ   LYS  61          2HZ       LYS  61  -7.669 -17.141  10.118
  447   3HZ   LYS  61          3HZ       LYS  61  -9.141 -17.847   9.941
  448    H    CYS  62           H        CYS  62  -4.895 -13.868   4.831
  449    HA   CYS  62           HA       CYS  62  -3.458 -11.306   4.876
  450   1HB   CYS  62          1HB       CYS  62  -2.100 -13.969   5.292
  451   2HB   CYS  62          2HB       CYS  62  -1.431 -12.355   5.586
  452    H    GLY  63           H        GLY  63  -1.118 -12.581   3.589
  453   1HA   GLY  63          1HA       GLY  63  -0.442 -13.599   1.630
  454   2HA   GLY  63          2HA       GLY  63  -2.126 -13.862   1.159
  455    H    GLY  64           H        GLY  64  -3.151 -11.346   1.195
  456   1HA   GLY  64          1HA       GLY  64  -2.939 -10.198  -1.176
  457   2HA   GLY  64          2HA       GLY  64  -3.148  -9.211   0.280
  458    H    CYS  65           H        CYS  65  -0.718  -9.236   1.445
  459    HA   CYS  65           HA       CYS  65   0.849  -7.546  -0.472
  460   1HB   CYS  65          1HB       CYS  65   0.403  -7.153   2.453
  461   2HB   CYS  65          2HB       CYS  65   1.003  -5.957   1.297
  462    H    HIS  66           H        HIS  66   1.100  -9.602   2.438
  463    HA   HIS  66           HA       HIS  66   4.052  -9.654   2.334
  464   1HB   HIS  66          1HB       HIS  66   2.099 -11.357   3.928
  465   2HB   HIS  66          2HB       HIS  66   3.840 -11.276   4.128
  466    HD1  HIS  66           HND      HIS  66   4.814  -8.983   5.280
  467    HD2  HIS  66           HD       HIS  66   0.620  -9.452   5.172
  468    HE1  HIS  66           HE       HIS  66   3.788  -7.343   6.960
  469    H    ILE  67           H        ILE  67   5.040 -11.084   0.881
  470    HA   ILE  67           HA       ILE  67   3.492 -13.444  -0.063
  471    HB   ILE  67           HB       ILE  67   6.306 -12.648  -0.866
  472   1HG1  ILE  67          1HG1      ILE  67   4.892 -12.059  -3.044
  473   2HG1  ILE  67          2HG1      ILE  67   3.574 -11.798  -1.903
  474   1HG2  ILE  67          1HG2      ILE  67   4.191 -14.446  -2.136
  475   2HG2  ILE  67          2HG2      ILE  67   5.803 -14.100  -2.801
  476   3HG2  ILE  67          3HG2      ILE  67   5.643 -15.039  -1.325
  477   1HD1  ILE  67          1HD1      ILE  67   6.312 -10.431  -1.843
  478   2HD1  ILE  67          2HD1      ILE  67   4.837  -9.768  -2.574
  479   3HD1  ILE  67          3HD1      ILE  67   4.918  -9.990  -0.827
  480    H    LYS  68           H        LYS  68   3.606 -13.598   2.574
  481    HA   LYS  68           HA       LYS  68   4.333 -16.079   3.137
  482   1HB   LYS  68          1HB       LYS  68   6.836 -15.240   3.055
  483   2HB   LYS  68          2HB       LYS  68   6.417 -14.295   4.467
  484   1HG   LYS  68          1HG       LYS  68   5.495 -17.026   4.828
  485   2HG   LYS  68          2HG       LYS  68   7.092 -17.123   4.126
  486   1HD   LYS  68          1HD       LYS  68   8.155 -16.342   5.984
  487   2HD   LYS  68          2HD       LYS  68   6.901 -15.163   6.369
  488   1HE   LYS  68          1HE       LYS  68   6.483 -18.148   6.761
  489   2HE   LYS  68          2HE       LYS  68   7.119 -17.090   8.032
  490   1HZ   LYS  68          1HZ       LYS  68   4.626 -17.424   7.996
  491   2HZ   LYS  68          2HZ       LYS  68   5.160 -15.861   8.062
  492   3HZ   LYS  68          3HZ       LYS  68   4.595 -16.434   6.667
  493    HHA  HEC  69           HCM      HEC  69   8.297   7.605  -1.857
  494    HHB  HEC  69           HDM      HEC  69   6.536  10.702  -7.102
  495    HHC  HEC  69           HAM      HEC  69   1.231   7.135  -7.421
  496    HHD  HEC  69           HBM      HEC  69   2.575   4.869  -1.630
  497   1HMA  HEC  69          HM81      HEC  69   9.596  10.629  -6.462
  498   2HMA  HEC  69          HM82      HEC  69   8.236  11.767  -6.321
  499   3HMA  HEC  69          HM83      HEC  69   9.428  11.693  -5.051
  500   1HAA  HEC  69          HP71      HEC  69  10.275  10.444  -3.498
  501   2HAA  HEC  69          HP72      HEC  69   9.605   9.567  -2.153
  502   1HBA  HEC  69          HP73      HEC  69  10.368   7.437  -3.201
  503   2HBA  HEC  69          HP74      HEC  69  11.071   8.372  -4.532
  504   1HMB  HEC  69          HM11      HEC  69   5.663  11.185  -8.955
  505   2HMB  HEC  69          HM12      HEC  69   4.699  10.358 -10.163
  506   3HMB  HEC  69          HM13      HEC  69   3.950  11.580  -9.102
  507    HAB  HEC  69          HT2A      HEC  69   1.160   8.547  -8.980
  508   1HBB  HEC  69          HT21      HEC  69   1.148   9.563 -11.049
  509   2HBB  HEC  69          HT22      HEC  69   2.454  10.677 -10.655
  510   3HBB  HEC  69          HT23      HEC  69   2.800   8.951 -10.938
  511   1HMC  HEC  69          HM31      HEC  69  -0.841   6.551  -6.192
  512   2HMC  HEC  69          HM32      HEC  69  -0.121   5.090  -6.907
  513   3HMC  HEC  69          HM33      HEC  69  -1.125   4.973  -5.461
  514    HAC  HEC  69          HT4A      HEC  69   0.512   4.676  -1.916
  515   1HBC  HEC  69          HT41      HEC  69  -0.843   2.783  -2.553
  516   2HBC  HEC  69          HT42      HEC  69  -0.648   3.162  -4.268
  517   3HBC  HEC  69          HT43      HEC  69   0.749   2.644  -3.318
  518   1HMD  HEC  69          HM51      HEC  69   4.514   3.649  -0.050
  519   2HMD  HEC  69          HM52      HEC  69   5.067   4.783   1.188
  520   3HMD  HEC  69          HM53      HEC  69   3.446   4.941   0.519
  521   1HAD  HEC  69          HP61      HEC  69   8.270   6.450  -0.106
  522   2HAD  HEC  69          HP62      HEC  69   7.135   5.779   1.019
  523   1HBD  HEC  69          HP63      HEC  69   8.530   3.990   0.522
  524   2HBD  HEC  69          HP64      HEC  69   7.128   3.692  -0.509
  525    HHA  HEC  70           HCM      HEC  70  -3.867  -4.831  -6.411
  526    HHB  HEC  70           HDM      HEC  70   0.363  -4.414  -1.635
  527    HHC  HEC  70           HAM      HEC  70  -1.918   1.332  -0.138
  528    HHD  HEC  70           HBM      HEC  70  -6.088   0.959  -4.905
  529   1HMA  HEC  70          HM81      HEC  70   1.067  -6.199  -4.132
  530   2HMA  HEC  70          HM82      HEC  70   0.478  -6.448  -2.473
  531   3HMA  HEC  70          HM83      HEC  70  -0.139  -7.459  -3.770
  532   1HAA  HEC  70          HP71      HEC  70  -2.256  -6.391  -6.740
  533   2HAA  HEC  70          HP72      HEC  70  -1.119  -7.322  -5.799
  534   1HBA  HEC  70          HP73      HEC  70  -2.914  -8.044  -4.267
  535   2HBA  HEC  70          HP74      HEC  70  -4.080  -7.068  -5.172
  536   1HMB  HEC  70          HM11      HEC  70   1.606  -3.661   0.022
  537   2HMB  HEC  70          HM12      HEC  70   1.579  -2.401   1.265
  538   3HMB  HEC  70          HM13      HEC  70   0.271  -3.585   1.175
  539    HAB  HEC  70          HT2A      HEC  70  -0.310   1.042   1.067
  540   1HBB  HEC  70          HT21      HEC  70   2.350  -0.380   1.127
  541   2HBB  HEC  70          HT22      HEC  70   1.882   0.877  -0.023
  542   3HBB  HEC  70          HT23      HEC  70   1.942   1.234   1.704
  543   1HMC  HEC  70          HM31      HEC  70  -3.929   3.063   0.089
  544   2HMC  HEC  70          HM32      HEC  70  -2.516   3.539  -0.888
  545   3HMC  HEC  70          HM33      HEC  70  -4.110   4.180  -1.273
  546    HAC  HEC  70          HT4A      HEC  70  -6.843   2.245  -3.398
  547   1HBC  HEC  70          HT41      HEC  70  -6.886   4.662  -3.656
  548   2HBC  HEC  70          HT42      HEC  70  -5.178   4.771  -3.178
  549   3HBC  HEC  70          HT43      HEC  70  -5.645   3.890  -4.657
  550   1HMD  HEC  70          HM51      HEC  70  -7.169   0.355  -6.628
  551   2HMD  HEC  70          HM52      HEC  70  -6.510  -0.409  -8.082
  552   3HMD  HEC  70          HM53      HEC  70  -7.807  -1.200  -7.174
  553   1HAD  HEC  70          HP61      HEC  70  -6.137  -4.491  -7.362
  554   2HAD  HEC  70          HP62      HEC  70  -6.813  -3.064  -8.139
  555   1HBD  HEC  70          HP63      HEC  70  -4.358  -2.654  -8.959
  556   2HBD  HEC  70          HP64      HEC  70  -4.146  -4.375  -8.629
  557    HHA  HEC  71           HCM      HEC  71   4.043  -4.661   8.851
  558    HHB  HEC  71           HDM      HEC  71   1.056  -9.946  10.845
  559    HHC  HEC  71           HAM      HEC  71  -2.735  -9.637   5.716
  560    HHD  HEC  71           HBM      HEC  71   0.327  -4.508   3.724
  561   1HMA  HEC  71          HM81      HEC  71   2.293  -8.614  12.873
  562   2HMA  HEC  71          HM82      HEC  71   3.207  -9.737  11.834
  563   3HMA  HEC  71          HM83      HEC  71   4.027  -8.370  12.582
  564   1HAA  HEC  71          HP71      HEC  71   4.696  -5.064  10.921
  565   2HAA  HEC  71          HP72      HEC  71   4.607  -6.248  12.210
  566   1HBA  HEC  71          HP73      HEC  71   5.837  -7.878  10.798
  567   2HBA  HEC  71          HP74      HEC  71   5.903  -6.680   9.496
  568   1HMB  HEC  71          HM11      HEC  71   0.272 -12.107  10.308
  569   2HMB  HEC  71          HM12      HEC  71  -1.216 -11.495  11.064
  570   3HMB  HEC  71          HM13      HEC  71  -1.294 -12.719   9.773
  571    HAB  HEC  71          HT2A      HEC  71  -3.629 -10.931   7.132
  572   1HBB  HEC  71          HT21      HEC  71  -4.885 -11.812   8.909
  573   2HBB  HEC  71          HT22      HEC  71  -3.471 -11.918   9.968
  574   3HBB  HEC  71          HT23      HEC  71  -4.077 -10.330   9.446
  575   1HMC  HEC  71          HM31      HEC  71  -4.185  -8.264   3.930
  576   2HMC  HEC  71          HM32      HEC  71  -3.262  -8.033   2.414
  577   3HMC  HEC  71          HM33      HEC  71  -2.925  -9.416   3.437
  578    HAC  HEC  71          HT4A      HEC  71  -1.449  -4.556   2.692
  579   1HBC  HEC  71          HT41      HEC  71  -4.069  -5.986   2.330
  580   2HBC  HEC  71          HT42      HEC  71  -3.752  -4.632   3.432
  581   3HBC  HEC  71          HT43      HEC  71  -3.560  -4.429   1.679
  582   1HMD  HEC  71          HM51      HEC  71   1.118  -2.417   4.209
  583   2HMD  HEC  71          HM52      HEC  71   2.796  -1.878   4.461
  584   3HMD  HEC  71          HM53      HEC  71   2.372  -3.202   3.343
  585   1HAD  HEC  71          HP61      HEC  71   4.010  -1.838   6.319
  586   2HAD  HEC  71          HP62      HEC  71   3.789  -2.513   7.919
  587   1HBD  HEC  71          HP63      HEC  71   5.539  -4.317   7.164
  588   2HBD  HEC  71          HP64      HEC  71   5.931  -3.144   5.909
  Start of MODEL   32
    1   1H    ALA   1          1H        ALA   1  10.570   4.556  -7.432
    2   2H    ALA   1          2H        ALA   1  12.074   4.966  -8.009
    3   3H    ALA   1          3H        ALA   1  10.754   4.972  -9.010
    4    HA   ALA   1           HA       ALA   1  11.973   3.027  -9.481
    5   1HB   ALA   1          1HB       ALA   1  13.187   2.834  -7.349
    6   2HB   ALA   1          2HB       ALA   1  11.674   2.459  -6.494
    7   3HB   ALA   1          3HB       ALA   1  12.314   1.331  -7.702
    8    H    ASP   2           H        ASP   2  10.423   1.958 -10.694
    9    HA   ASP   2           HA       ASP   2   7.832   2.137 -10.455
   10   1HB   ASP   2          1HB       ASP   2   9.558  -0.123 -11.595
   11   2HB   ASP   2          2HB       ASP   2   7.889   0.161 -12.059
   12    H    VAL   3           H        VAL   3   9.816  -0.435  -9.037
   13    HA   VAL   3           HA       VAL   3   7.591  -1.264  -7.352
   14    HB   VAL   3           HB       VAL   3   7.343  -2.826  -9.125
   15   1HG1  VAL   3          1HG1      VAL   3   9.418  -2.522 -10.367
   16   2HG1  VAL   3          2HG1      VAL   3  10.354  -3.284  -9.061
   17   3HG1  VAL   3          3HG1      VAL   3   9.188  -4.233 -10.003
   18   1HG2  VAL   3          1HG2      VAL   3   7.811  -4.970  -8.113
   19   2HG2  VAL   3          2HG2      VAL   3   9.034  -4.267  -7.042
   20   3HG2  VAL   3          3HG2      VAL   3   7.318  -3.836  -6.850
   21    H    VAL   4           H        VAL   4   8.345  -2.085  -5.312
   22    HA   VAL   4           HA       VAL   4  11.129  -2.543  -4.843
   23    HB   VAL   4           HB       VAL   4  11.024  -0.017  -4.846
   24   1HG1  VAL   4          1HG1      VAL   4   9.244  -0.393  -2.389
   25   2HG1  VAL   4          2HG1      VAL   4  10.009   1.128  -2.888
   26   3HG1  VAL   4          3HG1      VAL   4   8.805   0.386  -3.942
   27   1HG2  VAL   4          1HG2      VAL   4  12.428   0.322  -3.023
   28   2HG2  VAL   4          2HG2      VAL   4  11.653  -0.901  -2.022
   29   3HG2  VAL   4          3HG2      VAL   4  12.664  -1.393  -3.406
   30    H    THR   5           H        THR   5  11.237  -2.775  -2.169
   31    HA   THR   5           HA       THR   5   8.664  -2.958  -0.955
   32    HB   THR   5           HB       THR   5   8.864  -5.279  -2.003
   33    HG1  THR   5           HG1      THR   5   8.200  -4.954   0.172
   34   1HG2  THR   5          1HG2      THR   5  11.542  -5.539  -0.572
   35   2HG2  THR   5          2HG2      THR   5  10.685  -6.825  -1.437
   36   3HG2  THR   5          3HG2      THR   5  11.307  -5.433  -2.333
   37    H    TYR   6           H        TYR   6   8.669  -3.216   1.126
   38    HA   TYR   6           HA       TYR   6  11.149  -2.346   2.553
   39   1HB   TYR   6          1HB       TYR   6   8.188  -1.850   3.030
   40   2HB   TYR   6          2HB       TYR   6   9.431  -1.595   4.246
   41    HD1  TYR   6           HD1      TYR   6   9.461  -0.727   0.508
   42    HD2  TYR   6           HD2      TYR   6   9.219   0.786   4.530
   43    HE1  TYR   6           HE1      TYR   6  10.015   1.443  -0.319
   44    HE2  TYR   6           HE2      TYR   6   9.534   3.072   3.615
   45    HH   TYR   6           HH       TYR   6  10.280   4.328   1.775
   46    H    GLU   7           H        GLU   7  12.022  -4.370   2.942
   47    HA   GLU   7           HA       GLU   7  10.530  -6.655   3.679
   48   1HB   GLU   7          1HB       GLU   7  12.584  -7.692   4.221
   49   2HB   GLU   7          2HB       GLU   7  12.864  -6.644   2.840
   50   1HG   GLU   7          1HG       GLU   7  14.732  -6.202   4.125
   51   2HG   GLU   7          2HG       GLU   7  13.676  -4.885   4.649
   52    H    ASN   8           H        ASN   8  10.012  -7.551   5.705
   53    HA   ASN   8           HA       ASN   8  10.151  -5.839   8.089
   54   1HB   ASN   8          1HB       ASN   8   7.648  -5.879   8.285
   55   2HB   ASN   8          2HB       ASN   8   8.267  -4.865   6.970
   56   1HD2  ASN   8          1HD2      ASN   8   8.068  -5.590   4.769
   57   2HD2  ASN   8          2HD2      ASN   8   6.851  -6.780   4.344
   58    H    LYS   9           H        LYS   9   9.271  -6.985   9.965
   59    HA   LYS   9           HA       LYS   9  10.525  -9.477  10.051
   60   1HB   LYS   9          1HB       LYS   9   9.978  -7.823  11.929
   61   2HB   LYS   9          2HB       LYS   9   8.389  -8.559  12.007
   62   1HG   LYS   9          1HG       LYS   9   9.116 -10.362  13.107
   63   2HG   LYS   9          2HG       LYS   9  10.486 -10.636  12.047
   64   1HD   LYS   9          1HD       LYS   9  10.297  -8.651  14.358
   65   2HD   LYS   9          2HD       LYS   9  11.173 -10.181  14.385
   66   1HE   LYS   9          1HE       LYS   9  11.906  -7.607  12.912
   67   2HE   LYS   9          2HE       LYS   9  12.823  -8.477  14.132
   68   1HZ   LYS   9          1HZ       LYS   9  13.719  -8.811  11.951
   69   2HZ   LYS   9          2HZ       LYS   9  13.151 -10.247  12.519
   70   3HZ   LYS   9          3HZ       LYS   9  12.301  -9.402  11.385
   71    H    LYS  10           H        LYS  10   7.083  -8.727   9.847
   72    HA   LYS  10           HA       LYS  10   5.970 -11.312   9.617
   73   1HB   LYS  10          1HB       LYS  10   4.477  -9.589   9.883
   74   2HB   LYS  10          2HB       LYS  10   5.281  -8.551   8.718
   75   1HG   LYS  10          1HG       LYS  10   3.225  -8.951   7.920
   76   2HG   LYS  10          2HG       LYS  10   4.294  -9.846   6.857
   77   1HD   LYS  10          1HD       LYS  10   2.519 -11.023   9.061
   78   2HD   LYS  10          2HD       LYS  10   2.076 -10.853   7.357
   79   1HE   LYS  10          1HE       LYS  10   4.253 -12.270   6.899
   80   2HE   LYS  10          2HE       LYS  10   4.094 -12.712   8.614
   81   1HZ   LYS  10          1HZ       LYS  10   1.776 -13.450   7.962
   82   2HZ   LYS  10          2HZ       LYS  10   2.209 -13.246   6.380
   83   3HZ   LYS  10          3HZ       LYS  10   2.991 -14.314   7.269
   84    H    GLY  11           H        GLY  11   6.894  -9.198   6.779
   85   1HA   GLY  11          1HA       GLY  11   8.264 -11.384   5.480
   86   2HA   GLY  11          2HA       GLY  11   6.644 -11.130   4.799
   87    H    ASN  12           H        ASN  12   6.823  -9.983   2.897
   88    HA   ASN  12           HA       ASN  12   8.624  -7.590   2.779
   89   1HB   ASN  12          1HB       ASN  12   8.261  -9.721   0.650
   90   2HB   ASN  12          2HB       ASN  12   9.031  -8.164   0.401
   91   1HD2  ASN  12          1HD2      ASN  12  10.184  -8.913   3.452
   92   2HD2  ASN  12          2HD2      ASN  12  11.641  -9.720   2.913
   93    H    VAL  13           H        VAL  13   7.401  -5.909   2.363
   94    HA   VAL  13           HA       VAL  13   4.578  -6.186   1.505
   95    HB   VAL  13           HB       VAL  13   6.342  -3.930   2.519
   96   1HG1  VAL  13          1HG1      VAL  13   4.440  -2.416   2.372
   97   2HG1  VAL  13          2HG1      VAL  13   4.847  -2.931   0.766
   98   3HG1  VAL  13          3HG1      VAL  13   3.463  -3.678   1.558
   99   1HG2  VAL  13          1HG2      VAL  13   3.681  -4.962   3.580
  100   2HG2  VAL  13          2HG2      VAL  13   5.209  -5.657   4.085
  101   3HG2  VAL  13          3HG2      VAL  13   4.902  -3.949   4.404
  102    H    THR  14           H        THR  14   4.421  -6.527  -0.722
  103    HA   THR  14           HA       THR  14   6.425  -5.462  -2.516
  104    HB   THR  14           HB       THR  14   3.639  -6.537  -3.129
  105    HG1  THR  14           HG1      THR  14   4.865  -7.999  -1.995
  106   1HG2  THR  14          1HG2      THR  14   6.135  -6.278  -4.872
  107   2HG2  THR  14          2HG2      THR  14   4.628  -7.106  -5.322
  108   3HG2  THR  14          3HG2      THR  14   4.623  -5.357  -5.071
  109    H    PHE  15           H        PHE  15   6.672  -3.300  -2.927
  110    HA   PHE  15           HA       PHE  15   4.309  -1.481  -3.007
  111   1HB   PHE  15          1HB       PHE  15   7.271  -1.115  -3.437
  112   2HB   PHE  15          2HB       PHE  15   6.093   0.077  -3.947
  113    HD1  PHE  15           HD1      PHE  15   6.111  -1.892  -0.747
  114    HD2  PHE  15           HD2      PHE  15   6.718   1.908  -2.693
  115    HE1  PHE  15           HE1      PHE  15   6.482  -0.826   1.451
  116    HE2  PHE  15           HE2      PHE  15   7.359   2.880  -0.548
  117    HZ   PHE  15           HZ       PHE  15   7.288   1.498   1.513
  118    H    ASP  16           H        ASP  16   3.130  -2.180  -4.748
  119    HA   ASP  16           HA       ASP  16   4.328  -2.298  -7.454
  120   1HB   ASP  16          1HB       ASP  16   1.704  -2.826  -6.117
  121   2HB   ASP  16          2HB       ASP  16   1.568  -2.196  -7.743
  122    H    HIS  17           H        HIS  17   5.459  -0.184  -7.252
  123    HA   HIS  17           HA       HIS  17   3.983   2.088  -6.309
  124   1HB   HIS  17          1HB       HIS  17   6.546   1.480  -6.259
  125   2HB   HIS  17          2HB       HIS  17   6.625   2.339  -7.789
  126    HD1  HIS  17           HND      HIS  17   8.218   3.388  -5.406
  127    HD2  HIS  17           HD       HIS  17   4.284   4.525  -6.330
  128    HE1  HIS  17           HE       HIS  17   7.782   5.616  -4.206
  129    H    LYS  18           H        LYS  18   5.633   1.726  -9.421
  130    HA   LYS  18           HA       LYS  18   4.258   3.654 -11.005
  131   1HB   LYS  18          1HB       LYS  18   6.228   2.947 -11.889
  132   2HB   LYS  18          2HB       LYS  18   5.999   1.269 -11.391
  133   1HG   LYS  18          1HG       LYS  18   4.226   2.232 -13.614
  134   2HG   LYS  18          2HG       LYS  18   5.963   2.046 -13.871
  135   1HD   LYS  18          1HD       LYS  18   6.003  -0.210 -13.045
  136   2HD   LYS  18          2HD       LYS  18   4.240  -0.171 -12.824
  137   1HE   LYS  18          1HE       LYS  18   4.430   0.644 -15.441
  138   2HE   LYS  18          2HE       LYS  18   5.858  -0.394 -15.333
  139   1HZ   LYS  18          1HZ       LYS  18   3.883  -1.581 -16.027
  140   2HZ   LYS  18          2HZ       LYS  18   4.321  -2.154 -14.535
  141   3HZ   LYS  18          3HZ       LYS  18   3.057  -1.114 -14.720
  142    H    ALA  19           H        ALA  19   3.844   0.197 -10.676
  143    HA   ALA  19           HA       ALA  19   1.503  -0.380 -11.988
  144   1HB   ALA  19          1HB       ALA  19   2.676  -2.075 -10.845
  145   2HB   ALA  19          2HB       ALA  19   2.493  -1.186  -9.324
  146   3HB   ALA  19          3HB       ALA  19   1.072  -1.985 -10.061
  147    H    HIS  20           H        HIS  20   1.403   0.808  -8.494
  148    HA   HIS  20           HA       HIS  20  -1.466   1.144  -8.602
  149   1HB   HIS  20          1HB       HIS  20   0.660   2.211  -6.733
  150   2HB   HIS  20          2HB       HIS  20  -1.003   2.747  -6.625
  151    HD1  HIS  20           HND      HIS  20   0.777  -0.639  -6.755
  152    HD2  HIS  20           HD       HIS  20  -2.457   1.279  -4.890
  153    HE1  HIS  20           HE       HIS  20  -0.271  -2.335  -5.220
  154    H    ALA  21           H        ALA  21   1.307   3.146  -9.511
  155    HA   ALA  21           HA       ALA  21  -0.165   5.590  -9.798
  156   1HB   ALA  21          1HB       ALA  21   2.239   4.893 -11.512
  157   2HB   ALA  21          2HB       ALA  21   1.646   6.467 -11.007
  158   3HB   ALA  21          3HB       ALA  21   2.358   5.360  -9.808
  159    H    GLU  22           H        GLU  22   0.483   3.031 -12.205
  160    HA   GLU  22           HA       GLU  22  -0.975   4.411 -14.306
  161   1HB   GLU  22          1HB       GLU  22  -0.491   2.501 -15.709
  162   2HB   GLU  22          2HB       GLU  22   0.949   3.017 -14.826
  163   1HG   GLU  22          1HG       GLU  22   0.445   1.185 -13.160
  164   2HG   GLU  22          2HG       GLU  22  -0.776   0.563 -14.282
  165    H    LYS  23           H        LYS  23  -1.698   1.699 -12.080
  166    HA   LYS  23           HA       LYS  23  -4.280   1.164 -13.199
  167   1HB   LYS  23          1HB       LYS  23  -3.169   0.641 -10.412
  168   2HB   LYS  23          2HB       LYS  23  -4.664  -0.057 -11.034
  169   1HG   LYS  23          1HG       LYS  23  -1.948  -0.468 -12.362
  170   2HG   LYS  23          2HG       LYS  23  -2.546  -1.543 -11.120
  171   1HD   LYS  23          1HD       LYS  23  -4.352  -0.986 -13.476
  172   2HD   LYS  23          2HD       LYS  23  -2.856  -1.847 -13.800
  173   1HE   LYS  23          1HE       LYS  23  -4.645  -3.468 -13.414
  174   2HE   LYS  23          2HE       LYS  23  -3.405  -3.599 -12.161
  175   1HZ   LYS  23          1HZ       LYS  23  -5.590  -3.690 -11.217
  176   2HZ   LYS  23          2HZ       LYS  23  -4.848  -2.338 -10.702
  177   3HZ   LYS  23          3HZ       LYS  23  -6.017  -2.251 -11.863
  178    H    LEU  24           H        LEU  24  -3.215   3.392 -10.660
  179    HA   LEU  24           HA       LEU  24  -6.050   4.248 -10.190
  180   1HB   LEU  24          1HB       LEU  24  -3.614   4.637  -8.436
  181   2HB   LEU  24          2HB       LEU  24  -5.263   5.095  -8.077
  182    HG   LEU  24           HG       LEU  24  -4.622   2.183  -8.705
  183   1HD1  LEU  24          1HD1      LEU  24  -4.390   1.848  -6.251
  184   2HD1  LEU  24          2HD1      LEU  24  -3.064   2.702  -7.041
  185   3HD1  LEU  24          3HD1      LEU  24  -4.222   3.615  -6.070
  186   1HD2  LEU  24          1HD2      LEU  24  -6.989   2.792  -8.633
  187   2HD2  LEU  24          2HD2      LEU  24  -6.585   1.887  -7.162
  188   3HD2  LEU  24          3HD2      LEU  24  -6.752   3.656  -7.101
  189    H    GLY  25           H        GLY  25  -2.721   5.723 -10.491
  190   1HA   GLY  25          1HA       GLY  25  -3.043   7.740 -12.087
  191   2HA   GLY  25          2HA       GLY  25  -3.940   8.411 -10.719
  192    H    CYS  26           H        CYS  26  -2.906   8.467  -8.698
  193    HA   CYS  26           HA       CYS  26  -0.249   8.130  -7.960
  194   1HB   CYS  26          1HB       CYS  26  -0.027  10.019  -9.901
  195   2HB   CYS  26          2HB       CYS  26  -0.617  11.055  -8.625
  196    H    ASP  27           H        ASP  27  -2.978  10.337  -8.069
  197    HA   ASP  27           HA       ASP  27  -2.726  11.728  -5.712
  198   1HB   ASP  27          1HB       ASP  27  -5.443  10.934  -6.812
  199   2HB   ASP  27          2HB       ASP  27  -4.931  12.456  -6.077
  200    H    ALA  28           H        ALA  28  -4.160   8.653  -6.411
  201    HA   ALA  28           HA       ALA  28  -5.464   7.664  -4.295
  202   1HB   ALA  28          1HB       ALA  28  -3.094   6.438  -5.770
  203   2HB   ALA  28          2HB       ALA  28  -4.174   5.522  -4.707
  204   3HB   ALA  28          3HB       ALA  28  -4.818   6.289  -6.177
  205    H    CYS  29           H        CYS  29  -1.955   8.316  -4.324
  206    HA   CYS  29           HA       CYS  29  -1.884   7.938  -1.345
  207   1HB   CYS  29          1HB       CYS  29   0.309   7.320  -3.298
  208   2HB   CYS  29          2HB       CYS  29   0.298   7.003  -1.551
  209    H    HIS  30           H        HIS  30  -0.688   9.825  -4.162
  210    HA   HIS  30           HA       HIS  30   0.631  11.738  -2.253
  211   1HB   HIS  30          1HB       HIS  30   1.237  11.077  -5.152
  212   2HB   HIS  30          2HB       HIS  30   2.101  12.238  -4.152
  213    HD1  HIS  30           HND      HIS  30   3.011  10.960  -1.757
  214    HD2  HIS  30           HD       HIS  30   2.520   8.909  -5.313
  215    HE1  HIS  30           HE       HIS  30   4.799   8.979  -1.770
  216    H    GLU  31           H        GLU  31  -1.869  12.162  -2.386
  217    HA   GLU  31           HA       GLU  31  -2.855  13.689  -4.594
  218   1HB   GLU  31          1HB       GLU  31  -4.463  14.681  -2.865
  219   2HB   GLU  31          2HB       GLU  31  -4.573  12.959  -3.230
  220   1HG   GLU  31          1HG       GLU  31  -3.539  12.296  -1.232
  221   2HG   GLU  31          2HG       GLU  31  -2.941  13.934  -0.874
  222    H    GLY  32           H        GLY  32  -1.212  14.760  -1.640
  223   1HA   GLY  32          1HA       GLY  32  -1.120  17.564  -2.672
  224   2HA   GLY  32          2HA       GLY  32  -0.900  17.029  -1.008
  225    H    THR  33           H        THR  33   0.678  15.547  -3.828
  226    HA   THR  33           HA       THR  33   2.749  15.771  -4.704
  227    HB   THR  33           HB       THR  33   3.803  17.353  -2.333
  228    HG1  THR  33           HG1      THR  33   2.168  18.564  -3.028
  229   1HG2  THR  33          1HG2      THR  33   5.532  16.542  -3.863
  230   2HG2  THR  33          2HG2      THR  33   4.666  17.275  -5.244
  231   3HG2  THR  33          3HG2      THR  33   5.348  18.295  -3.967
  232    HA   PRO  34           HA       PRO  34   4.466  12.373  -2.176
  233   1HB   PRO  34          1HB       PRO  34   6.675  11.749  -3.589
  234   2HB   PRO  34          2HB       PRO  34   5.035  11.261  -4.090
  235   1HG   PRO  34          1HG       PRO  34   6.636  13.583  -5.084
  236   2HG   PRO  34          2HG       PRO  34   5.638  12.397  -5.996
  237   1HD   PRO  34          1HD       PRO  34   4.756  14.900  -5.371
  238   2HD   PRO  34          2HD       PRO  34   3.656  13.502  -5.466
  239    H    ALA  35           H        ALA  35   5.586  12.694  -0.326
  240    HA   ALA  35           HA       ALA  35   8.215  13.971  -0.347
  241   1HB   ALA  35          1HB       ALA  35   5.906  15.119   1.287
  242   2HB   ALA  35          2HB       ALA  35   7.617  15.596   1.416
  243   3HB   ALA  35          3HB       ALA  35   6.716  15.914  -0.082
  244    H    LYS  36           H        LYS  36   7.784  11.470  -0.177
  245    HA   LYS  36           HA       LYS  36   8.053   9.553   0.917
  246   1HB   LYS  36          1HB       LYS  36   8.400  11.152   3.511
  247   2HB   LYS  36          2HB       LYS  36   8.590   9.437   3.302
  248   1HG   LYS  36          1HG       LYS  36  10.155  10.358   1.243
  249   2HG   LYS  36          2HG       LYS  36  10.287  11.727   2.306
  250   1HD   LYS  36          1HD       LYS  36  12.171  10.101   2.462
  251   2HD   LYS  36          2HD       LYS  36  11.333  10.232   4.039
  252   1HE   LYS  36          1HE       LYS  36  10.159   8.171   3.695
  253   2HE   LYS  36          2HE       LYS  36  10.473   8.238   1.926
  254   1HZ   LYS  36          1HZ       LYS  36  12.374   7.484   4.007
  255   2HZ   LYS  36          2HZ       LYS  36  11.486   6.541   2.963
  256   3HZ   LYS  36          3HZ       LYS  36  12.667   7.548   2.362
  257    H    ILE  37           H        ILE  37   6.863   7.992   2.378
  258    HA   ILE  37           HA       ILE  37   4.299   9.255   3.399
  259    HB   ILE  37           HB       ILE  37   4.279   6.414   2.377
  260   1HG1  ILE  37          1HG1      ILE  37   3.771   8.991   0.919
  261   2HG1  ILE  37          2HG1      ILE  37   4.771   7.598   0.482
  262   1HG2  ILE  37          1HG2      ILE  37   2.566   7.095   4.071
  263   2HG2  ILE  37          2HG2      ILE  37   2.082   8.439   3.019
  264   3HG2  ILE  37          3HG2      ILE  37   1.830   6.759   2.515
  265   1HD1  ILE  37          1HD1      ILE  37   2.508   6.308   0.289
  266   2HD1  ILE  37          2HD1      ILE  37   1.716   7.883   0.473
  267   3HD1  ILE  37          3HD1      ILE  37   2.754   7.579  -0.916
  268    H    ALA  38           H        ALA  38   6.457   6.572   3.650
  269    HA   ALA  38           HA       ALA  38   7.315   5.405   5.394
  270   1HB   ALA  38          1HB       ALA  38   7.403   6.282   7.606
  271   2HB   ALA  38          2HB       ALA  38   7.622   7.609   6.442
  272   3HB   ALA  38          3HB       ALA  38   6.078   7.416   7.308
  273    H    ILE  39           H        ILE  39   5.722   3.992   4.381
  274    HA   ILE  39           HA       ILE  39   3.349   3.315   5.952
  275    HB   ILE  39           HB       ILE  39   4.625   2.042   3.538
  276   1HG1  ILE  39          1HG1      ILE  39   3.678   4.382   3.279
  277   2HG1  ILE  39          2HG1      ILE  39   3.000   3.105   2.326
  278   1HG2  ILE  39          1HG2      ILE  39   2.440   0.826   3.367
  279   2HG2  ILE  39          2HG2      ILE  39   3.400   0.350   4.766
  280   3HG2  ILE  39          3HG2      ILE  39   2.013   1.416   4.993
  281   1HD1  ILE  39          1HD1      ILE  39   1.231   4.591   3.086
  282   2HD1  ILE  39          2HD1      ILE  39   0.995   3.030   3.863
  283   3HD1  ILE  39          3HD1      ILE  39   1.715   4.382   4.772
  284    H    ASP  40           H        ASP  40   3.852   2.683   7.799
  285    HA   ASP  40           HA       ASP  40   5.687   0.353   8.312
  286   1HB   ASP  40          1HB       ASP  40   4.598   2.346  10.340
  287   2HB   ASP  40          2HB       ASP  40   5.793   1.076  10.626
  288    H    LYS  41           H        LYS  41   4.644  -1.162   9.955
  289    HA   LYS  41           HA       LYS  41   2.130  -1.993   9.585
  290   1HB   LYS  41          1HB       LYS  41   2.215  -2.849  11.929
  291   2HB   LYS  41          2HB       LYS  41   3.595  -3.211  10.912
  292   1HG   LYS  41          1HG       LYS  41   4.844  -1.286  12.047
  293   2HG   LYS  41          2HG       LYS  41   3.502  -1.231  13.220
  294   1HD   LYS  41          1HD       LYS  41   3.908  -3.681  13.665
  295   2HD   LYS  41          2HD       LYS  41   5.247  -3.613  12.498
  296   1HE   LYS  41          1HE       LYS  41   6.434  -1.972  13.883
  297   2HE   LYS  41          2HE       LYS  41   5.152  -2.055  15.112
  298   1HZ   LYS  41          1HZ       LYS  41   5.685  -4.383  15.406
  299   2HZ   LYS  41          2HZ       LYS  41   6.708  -4.381  14.170
  300   3HZ   LYS  41          3HZ       LYS  41   7.100  -3.536  15.535
  301    H    LYS  42           H        LYS  42   3.074   0.588  11.794
  302    HA   LYS  42           HA       LYS  42   0.651   1.254  12.965
  303   1HB   LYS  42          1HB       LYS  42   2.804   2.230  13.656
  304   2HB   LYS  42          2HB       LYS  42   3.062   2.832  12.024
  305   1HG   LYS  42          1HG       LYS  42   2.590   4.703  13.069
  306   2HG   LYS  42          2HG       LYS  42   1.039   4.342  12.355
  307   1HD   LYS  42          1HD       LYS  42   1.886   4.138  15.288
  308   2HD   LYS  42          2HD       LYS  42   0.726   5.234  14.555
  309   1HE   LYS  42          1HE       LYS  42  -0.723   3.768  15.558
  310   2HE   LYS  42          2HE       LYS  42  -0.642   3.075  13.938
  311   1HZ   LYS  42          1HZ       LYS  42  -0.405   1.383  15.583
  312   2HZ   LYS  42          2HZ       LYS  42   1.069   1.551  14.871
  313   3HZ   LYS  42          3HZ       LYS  42   0.801   2.184  16.363
  314    H    SER  43           H        SER  43   1.947   2.502   9.777
  315    HA   SER  43           HA       SER  43  -0.430   4.046   9.300
  316   1HB   SER  43          1HB       SER  43   1.221   3.633   6.956
  317   2HB   SER  43          2HB       SER  43   0.993   5.068   7.948
  318    HG   SER  43           HG       SER  43   3.178   4.521   8.057
  319    H    ALA  44           H        ALA  44   1.097   1.317   7.662
  320    HA   ALA  44           HA       ALA  44  -0.614   0.438   5.740
  321   1HB   ALA  44          1HB       ALA  44   1.577  -0.536   6.356
  322   2HB   ALA  44          2HB       ALA  44   0.849  -1.285   7.778
  323   3HB   ALA  44          3HB       ALA  44   0.285  -1.764   6.168
  324    H    HIS  45           H        HIS  45  -0.703  -0.519   9.177
  325    HA   HIS  45           HA       HIS  45  -3.363  -1.770   8.786
  326   1HB   HIS  45          1HB       HIS  45  -1.207  -2.326  10.821
  327   2HB   HIS  45          2HB       HIS  45  -2.855  -2.891  10.959
  328    HD1  HIS  45           HND      HIS  45  -3.678  -4.810   9.399
  329    HD2  HIS  45           HD       HIS  45   0.339  -3.671   8.900
  330    HE1  HIS  45           HE       HIS  45  -2.562  -6.631   8.030
  331    H    LYS  46           H        LYS  46  -2.606   1.238   9.285
  332    HA   LYS  46           HA       LYS  46  -4.750   1.700  11.304
  333   1HB   LYS  46          1HB       LYS  46  -3.170   3.219  11.825
  334   2HB   LYS  46          2HB       LYS  46  -2.563   3.347  10.178
  335   1HG   LYS  46          1HG       LYS  46  -3.487   5.431  11.201
  336   2HG   LYS  46          2HG       LYS  46  -3.846   5.005   9.547
  337   1HD   LYS  46          1HD       LYS  46  -5.829   5.718  10.097
  338   2HD   LYS  46          2HD       LYS  46  -6.099   4.035  10.563
  339   1HE   LYS  46          1HE       LYS  46  -5.718   4.739  12.953
  340   2HE   LYS  46          2HE       LYS  46  -5.645   6.413  12.349
  341   1HZ   LYS  46          1HZ       LYS  46  -7.827   5.725  11.170
  342   2HZ   LYS  46          2HZ       LYS  46  -7.918   4.555  12.262
  343   3HZ   LYS  46          3HZ       LYS  46  -7.906   6.124  12.788
  344    H    ASP  47           H        ASP  47  -4.143   3.358   8.162
  345    HA   ASP  47           HA       ASP  47  -6.795   2.464   7.228
  346   1HB   ASP  47          1HB       ASP  47  -6.258   5.355   7.971
  347   2HB   ASP  47          2HB       ASP  47  -7.479   4.880   6.814
  348    H    ALA  48           H        ALA  48  -3.802   2.408   6.462
  349    HA   ALA  48           HA       ALA  48  -3.923   3.805   3.852
  350   1HB   ALA  48          1HB       ALA  48  -1.573   2.977   3.678
  351   2HB   ALA  48          2HB       ALA  48  -1.869   4.019   5.075
  352   3HB   ALA  48          3HB       ALA  48  -1.713   2.284   5.314
  353    H    CYS  49           H        CYS  49  -2.300   0.834   3.999
  354    HA   CYS  49           HA       CYS  49  -3.273   0.174   1.470
  355   1HB   CYS  49          1HB       CYS  49  -2.021  -1.711   3.418
  356   2HB   CYS  49          2HB       CYS  49  -1.919  -1.802   1.656
  357    H    LYS  50           H        LYS  50  -3.882  -1.622   4.504
  358    HA   LYS  50           HA       LYS  50  -5.939  -3.320   3.389
  359   1HB   LYS  50          1HB       LYS  50  -6.087  -4.208   5.661
  360   2HB   LYS  50          2HB       LYS  50  -4.405  -4.015   5.187
  361   1HG   LYS  50          1HG       LYS  50  -4.043  -2.874   7.032
  362   2HG   LYS  50          2HG       LYS  50  -4.964  -1.540   6.360
  363   1HD   LYS  50          1HD       LYS  50  -6.996  -3.159   7.458
  364   2HD   LYS  50          2HD       LYS  50  -5.638  -3.427   8.529
  365   1HE   LYS  50          1HE       LYS  50  -6.777  -1.582   9.478
  366   2HE   LYS  50          2HE       LYS  50  -5.374  -0.883   8.677
  367   1HZ   LYS  50          1HZ       LYS  50  -7.240   0.409   8.305
  368   2HZ   LYS  50          2HZ       LYS  50  -6.827  -0.195   6.842
  369   3HZ   LYS  50          3HZ       LYS  50  -8.110  -0.837   7.626
  370    H    THR  51           H        THR  51  -6.672  -0.683   2.893
  371    HA   THR  51           HA       THR  51  -9.243  -0.456   4.354
  372    HB   THR  51           HB       THR  51  -7.678   2.089   4.059
  373    HG1  THR  51           HG1      THR  51  -6.088   0.949   4.851
  374   1HG2  THR  51          1HG2      THR  51  -8.800   2.653   6.110
  375   2HG2  THR  51          2HG2      THR  51  -9.981   1.964   4.996
  376   3HG2  THR  51          3HG2      THR  51  -9.361   0.985   6.345
  377    H    CYS  52           H        CYS  52  -7.071   1.227   2.083
  378    HA   CYS  52           HA       CYS  52  -9.005   1.967   0.156
  379   1HB   CYS  52          1HB       CYS  52  -6.364   2.342   0.501
  380   2HB   CYS  52          2HB       CYS  52  -6.292   1.037  -0.678
  381    H    HIS  53           H        HIS  53  -6.906  -1.000   0.370
  382    HA   HIS  53           HA       HIS  53  -8.013  -2.353  -1.823
  383   1HB   HIS  53          1HB       HIS  53  -6.929  -3.431   0.808
  384   2HB   HIS  53          2HB       HIS  53  -7.420  -4.445  -0.560
  385    HD1  HIS  53           HND      HIS  53  -4.735  -5.211  -0.392
  386    HD2  HIS  53           HD       HIS  53  -5.706  -1.455  -2.045
  387    HE1  HIS  53           HE       HIS  53  -2.736  -4.418  -1.681
  388    H    LYS  54           H        LYS  54  -9.286  -2.246   1.547
  389    HA   LYS  54           HA       LYS  54 -11.223  -4.280   1.213
  390   1HB   LYS  54          1HB       LYS  54 -11.523  -1.836   2.979
  391   2HB   LYS  54          2HB       LYS  54 -12.395  -3.389   3.073
  392   1HG   LYS  54          1HG       LYS  54 -10.051  -4.468   3.323
  393   2HG   LYS  54          2HG       LYS  54  -9.481  -2.839   3.667
  394   1HD   LYS  54          1HD       LYS  54 -11.474  -4.519   5.250
  395   2HD   LYS  54          2HD       LYS  54  -9.866  -3.977   5.715
  396   1HE   LYS  54          1HE       LYS  54 -11.289  -2.595   6.954
  397   2HE   LYS  54          2HE       LYS  54 -10.738  -1.568   5.629
  398   1HZ   LYS  54          1HZ       LYS  54 -12.859  -2.000   4.542
  399   2HZ   LYS  54          2HZ       LYS  54 -13.336  -2.966   5.783
  400   3HZ   LYS  54          3HZ       LYS  54 -13.092  -1.362   6.033
  401    H    SER  55           H        SER  55 -11.371  -0.799   0.375
  402    HA   SER  55           HA       SER  55 -14.204  -0.884  -0.232
  403   1HB   SER  55          1HB       SER  55 -13.921   1.284  -1.212
  404   2HB   SER  55          2HB       SER  55 -13.051   1.216   0.329
  405    HG   SER  55           HG       SER  55 -11.135   0.735  -1.073
  406    H    ASN  56           H        ASN  56 -11.374  -1.968  -1.937
  407    HA   ASN  56           HA       ASN  56 -12.683  -1.908  -4.590
  408   1HB   ASN  56          1HB       ASN  56  -9.910  -2.782  -3.673
  409   2HB   ASN  56          2HB       ASN  56 -10.544  -2.998  -5.301
  410   1HD2  ASN  56          1HD2      ASN  56  -9.843  -0.388  -2.841
  411   2HD2  ASN  56          2HD2      ASN  56  -9.627   0.829  -4.073
  412    H    ASN  57           H        ASN  57 -11.426  -4.340  -2.198
  413    HA   ASN  57           HA       ASN  57 -13.658  -6.053  -2.768
  414   1HB   ASN  57          1HB       ASN  57 -12.114  -6.599  -4.717
  415   2HB   ASN  57          2HB       ASN  57 -10.900  -7.115  -3.534
  416   1HD2  ASN  57          1HD2      ASN  57 -11.166  -9.176  -4.899
  417   2HD2  ASN  57          2HD2      ASN  57 -12.429 -10.282  -4.389
  418    H    GLY  58           H        GLY  58 -13.611  -7.964  -1.304
  419   1HA   GLY  58          1HA       GLY  58 -12.720  -7.151   1.311
  420   2HA   GLY  58          2HA       GLY  58 -13.496  -8.688   0.889
  421    HA   PRO  59           HA       PRO  59  -8.818  -9.572   1.499
  422   1HB   PRO  59          1HB       PRO  59  -8.663 -10.085   4.159
  423   2HB   PRO  59          2HB       PRO  59  -8.518  -8.430   3.514
  424   1HG   PRO  59          1HG       PRO  59 -10.998  -9.749   4.656
  425   2HG   PRO  59          2HG       PRO  59 -10.296  -8.166   5.107
  426   1HD   PRO  59          1HD       PRO  59 -12.336  -8.409   3.303
  427   2HD   PRO  59          2HD       PRO  59 -11.066  -7.164   3.105
  428    H    THR  60           H        THR  60  -8.246 -11.790   2.852
  429    HA   THR  60           HA       THR  60 -10.346 -13.786   2.463
  430    HB   THR  60           HB       THR  60  -8.350 -13.037   0.363
  431    HG1  THR  60           HG1      THR  60 -10.737 -12.844   0.431
  432   1HG2  THR  60          1HG2      THR  60  -8.546 -15.305  -0.673
  433   2HG2  THR  60          2HG2      THR  60  -7.434 -15.184   0.690
  434   3HG2  THR  60          3HG2      THR  60  -9.045 -15.940   0.909
  435    H    LYS  61           H        LYS  61  -6.763 -13.340   2.763
  436    HA   LYS  61           HA       LYS  61  -6.784 -14.339   5.385
  437   1HB   LYS  61          1HB       LYS  61  -5.511 -16.518   5.079
  438   2HB   LYS  61          2HB       LYS  61  -7.237 -16.526   4.863
  439   1HG   LYS  61          1HG       LYS  61  -6.368 -17.928   3.224
  440   2HG   LYS  61          2HG       LYS  61  -6.946 -16.495   2.383
  441   1HD   LYS  61          1HD       LYS  61  -4.664 -15.682   2.085
  442   2HD   LYS  61          2HD       LYS  61  -4.040 -16.921   3.204
  443   1HE   LYS  61          1HE       LYS  61  -4.703 -18.697   1.595
  444   2HE   LYS  61          2HE       LYS  61  -5.269 -17.452   0.464
  445   1HZ   LYS  61          1HZ       LYS  61  -3.038 -18.187  -0.039
  446   2HZ   LYS  61          2HZ       LYS  61  -3.017 -16.599   0.391
  447   3HZ   LYS  61          3HZ       LYS  61  -2.502 -17.743   1.451
  448    H    CYS  62           H        CYS  62  -5.715 -12.189   4.907
  449    HA   CYS  62           HA       CYS  62  -3.937 -10.855   4.615
  450   1HB   CYS  62          1HB       CYS  62  -2.156 -13.234   5.226
  451   2HB   CYS  62          2HB       CYS  62  -1.789 -11.521   5.452
  452    H    GLY  63           H        GLY  63  -1.295 -11.912   3.491
  453   1HA   GLY  63          1HA       GLY  63  -0.318 -12.206   1.438
  454   2HA   GLY  63          2HA       GLY  63  -1.604 -13.397   1.196
  455    H    GLY  64           H        GLY  64  -1.568  -9.832   1.423
  456   1HA   GLY  64          1HA       GLY  64  -2.560  -9.572  -1.390
  457   2HA   GLY  64          2HA       GLY  64  -3.437  -8.848  -0.035
  458    H    CYS  65           H        CYS  65  -0.006  -8.993   0.152
  459    HA   CYS  65           HA       CYS  65   0.877  -6.429  -0.701
  460   1HB   CYS  65          1HB       CYS  65   0.076  -6.814   2.177
  461   2HB   CYS  65          2HB       CYS  65   1.291  -5.617   1.710
  462    H    HIS  66           H        HIS  66   1.081  -8.590   2.120
  463    HA   HIS  66           HA       HIS  66   3.929  -8.851   2.152
  464   1HB   HIS  66          1HB       HIS  66   1.766 -10.567   3.423
  465   2HB   HIS  66          2HB       HIS  66   3.476 -10.687   3.757
  466    HD1  HIS  66           HND      HIS  66   4.584  -8.149   4.746
  467    HD2  HIS  66           HD       HIS  66   0.457  -8.975   5.122
  468    HE1  HIS  66           HE       HIS  66   3.641  -6.587   6.485
  469    H    ILE  67           H        ILE  67   5.108 -10.162   0.748
  470    HA   ILE  67           HA       ILE  67   3.833 -12.517  -0.537
  471    HB   ILE  67           HB       ILE  67   6.779 -11.804  -0.320
  472   1HG1  ILE  67          1HG1      ILE  67   5.737  -9.953  -1.417
  473   2HG1  ILE  67          2HG1      ILE  67   6.557 -10.931  -2.625
  474   1HG2  ILE  67          1HG2      ILE  67   6.438 -14.145  -0.915
  475   2HG2  ILE  67          2HG2      ILE  67   5.248 -13.707  -2.149
  476   3HG2  ILE  67          3HG2      ILE  67   6.952 -13.250  -2.348
  477   1HD1  ILE  67          1HD1      ILE  67   4.335 -11.954  -3.258
  478   2HD1  ILE  67          2HD1      ILE  67   3.547 -10.844  -2.112
  479   3HD1  ILE  67          3HD1      ILE  67   4.420 -10.209  -3.509
  480    H    LYS  68           H        LYS  68   2.880 -13.162   1.570
  481    HA   LYS  68           HA       LYS  68   3.694 -15.363   2.893
  482   1HB   LYS  68          1HB       LYS  68   5.078 -12.899   3.946
  483   2HB   LYS  68          2HB       LYS  68   4.361 -13.970   5.133
  484   1HG   LYS  68          1HG       LYS  68   5.698 -15.786   4.705
  485   2HG   LYS  68          2HG       LYS  68   6.367 -15.126   3.203
  486   1HD   LYS  68          1HD       LYS  68   7.548 -13.406   4.298
  487   2HD   LYS  68          2HD       LYS  68   6.473 -13.494   5.698
  488   1HE   LYS  68          1HE       LYS  68   7.523 -15.660   6.367
  489   2HE   LYS  68          2HE       LYS  68   8.758 -15.388   5.122
  490   1HZ   LYS  68          1HZ       LYS  68   8.112 -13.456   7.278
  491   2HZ   LYS  68          2HZ       LYS  68   9.334 -14.562   7.390
  492   3HZ   LYS  68          3HZ       LYS  68   9.381 -13.379   6.252
  493    HHA  HEC  69           HCM      HEC  69   8.249   7.390  -1.268
  494    HHB  HEC  69           HDM      HEC  69   6.840  10.356  -6.706
  495    HHC  HEC  69           HAM      HEC  69   1.686   6.602  -7.418
  496    HHD  HEC  69           HBM      HEC  69   2.764   4.458  -1.445
  497   1HMA  HEC  69          HM81      HEC  69   8.511  11.676  -5.310
  498   2HMA  HEC  69          HM82      HEC  69  10.027  10.927  -4.794
  499   3HMA  HEC  69          HM83      HEC  69   9.291  10.442  -6.329
  500   1HAA  HEC  69          HP71      HEC  69  10.105   8.322  -2.047
  501   2HAA  HEC  69          HP72      HEC  69  10.767   9.213  -3.396
  502   1HBA  HEC  69          HP73      HEC  69   9.889  11.324  -2.479
  503   2HBA  HEC  69          HP74      HEC  69   9.128  10.425  -1.165
  504   1HMB  HEC  69          HM11      HEC  69   5.220   9.897  -9.956
  505   2HMB  HEC  69          HM12      HEC  69   4.446  11.120  -8.911
  506   3HMB  HEC  69          HM13      HEC  69   6.151  10.689  -8.700
  507    HAB  HEC  69          HT2A      HEC  69   1.709   7.943  -9.036
  508   1HBB  HEC  69          HT21      HEC  69   1.741   9.082 -11.034
  509   2HBB  HEC  69          HT22      HEC  69   3.022  10.184 -10.543
  510   3HBB  HEC  69          HT23      HEC  69   3.389   8.468 -10.879
  511   1HMC  HEC  69          HM31      HEC  69  -0.479   6.327  -6.115
  512   2HMC  HEC  69          HM32      HEC  69   0.071   4.826  -6.887
  513   3HMC  HEC  69          HM33      HEC  69  -0.932   4.778  -5.428
  514    HAC  HEC  69          HT4A      HEC  69   0.697   4.238  -1.886
  515   1HBC  HEC  69          HT41      HEC  69  -0.743   2.972  -4.232
  516   2HBC  HEC  69          HT42      HEC  69   0.647   2.249  -3.404
  517   3HBC  HEC  69          HT43      HEC  69  -0.870   2.543  -2.533
  518   1HMD  HEC  69          HM51      HEC  69   4.346   3.116  -0.167
  519   2HMD  HEC  69          HM52      HEC  69   5.297   3.840   1.138
  520   3HMD  HEC  69          HM53      HEC  69   3.686   4.478   0.771
  521   1HAD  HEC  69          HP61      HEC  69   6.572   5.850   1.479
  522   2HAD  HEC  69          HP62      HEC  69   7.529   4.544   0.784
  523   1HBD  HEC  69          HP63      HEC  69   9.295   6.038   0.167
  524   2HBD  HEC  69          HP64      HEC  69   8.301   7.429   0.721
  525    HHA  HEC  70           HCM      HEC  70  -3.417  -4.995  -6.394
  526    HHB  HEC  70           HDM      HEC  70   0.826  -3.855  -1.699
  527    HHC  HEC  70           HAM      HEC  70  -2.277   1.544  -0.351
  528    HHD  HEC  70           HBM      HEC  70  -6.415   0.458  -4.985
  529   1HMA  HEC  70          HM81      HEC  70   1.639  -5.425  -2.979
  530   2HMA  HEC  70          HM82      HEC  70   0.657  -6.904  -3.067
  531   3HMA  HEC  70          HM83      HEC  70   1.410  -6.226  -4.529
  532   1HAA  HEC  70          HP71      HEC  70  -1.689  -6.301  -6.720
  533   2HAA  HEC  70          HP72      HEC  70  -0.190  -6.852  -6.026
  534   1HBA  HEC  70          HP73      HEC  70  -2.803  -7.563  -4.677
  535   2HBA  HEC  70          HP74      HEC  70  -2.259  -8.436  -6.110
  536   1HMB  HEC  70          HM11      HEC  70   1.213  -3.199   0.549
  537   2HMB  HEC  70          HM12      HEC  70   2.294  -2.089  -0.334
  538   3HMB  HEC  70          HM13      HEC  70   1.598  -1.628   1.240
  539    HAB  HEC  70          HT2A      HEC  70  -0.885   1.345   1.068
  540   1HBB  HEC  70          HT21      HEC  70   1.240   2.016   1.654
  541   2HBB  HEC  70          HT22      HEC  70   2.016   0.550   1.016
  542   3HBB  HEC  70          HT23      HEC  70   1.248   1.704  -0.086
  543   1HMC  HEC  70          HM31      HEC  70  -4.688   4.114  -1.625
  544   2HMC  HEC  70          HM32      HEC  70  -4.254   3.163  -0.191
  545   3HMC  HEC  70          HM33      HEC  70  -3.011   3.650  -1.363
  546    HAC  HEC  70          HT4A      HEC  70  -7.325   1.747  -3.432
  547   1HBC  HEC  70          HT41      HEC  70  -5.835   4.392  -3.641
  548   2HBC  HEC  70          HT42      HEC  70  -6.133   3.280  -4.987
  549   3HBC  HEC  70          HT43      HEC  70  -7.498   4.076  -4.179
  550   1HMD  HEC  70          HM51      HEC  70  -6.727  -0.525  -7.723
  551   2HMD  HEC  70          HM52      HEC  70  -7.613  -2.052  -7.511
  552   3HMD  HEC  70          HM53      HEC  70  -7.745  -0.791  -6.291
  553   1HAD  HEC  70          HP61      HEC  70  -5.706  -2.999  -8.644
  554   2HAD  HEC  70          HP62      HEC  70  -4.465  -4.177  -8.249
  555   1HBD  HEC  70          HP63      HEC  70  -6.111  -5.653  -7.244
  556   2HBD  HEC  70          HP64      HEC  70  -7.375  -4.419  -7.386
  557    HHA  HEC  71           HCM      HEC  71   3.971  -4.301   8.986
  558    HHB  HEC  71           HDM      HEC  71   0.779  -9.609  10.554
  559    HHC  HEC  71           HAM      HEC  71  -2.944  -8.902   5.419
  560    HHD  HEC  71           HBM      HEC  71   0.509  -3.933   3.630
  561   1HMA  HEC  71          HM81      HEC  71   3.069  -9.412  11.832
  562   2HMA  HEC  71          HM82      HEC  71   3.340  -7.936  12.770
  563   3HMA  HEC  71          HM83      HEC  71   1.692  -8.526  12.537
  564   1HAA  HEC  71          HP71      HEC  71   4.906  -5.110  10.770
  565   2HAA  HEC  71          HP72      HEC  71   4.080  -5.701  12.212
  566   1HBA  HEC  71          HP73      HEC  71   5.242  -8.013  11.358
  567   2HBA  HEC  71          HP74      HEC  71   6.364  -6.850  10.665
  568   1HMB  HEC  71          HM11      HEC  71  -1.909 -12.050   9.542
  569   2HMB  HEC  71          HM12      HEC  71  -0.254 -11.659  10.002
  570   3HMB  HEC  71          HM13      HEC  71  -1.612 -10.836  10.804
  571    HAB  HEC  71          HT2A      HEC  71  -3.970 -10.155   6.768
  572   1HBB  HEC  71          HT21      HEC  71  -5.335 -10.915   8.534
  573   2HBB  HEC  71          HT22      HEC  71  -3.968 -10.976   9.661
  574   3HBB  HEC  71          HT23      HEC  71  -4.506  -9.417   8.997
  575   1HMC  HEC  71          HM31      HEC  71  -3.189  -8.598   3.291
  576   2HMC  HEC  71          HM32      HEC  71  -4.220  -7.152   3.357
  577   3HMC  HEC  71          HM33      HEC  71  -3.003  -7.363   2.063
  578    HAC  HEC  71          HT4A      HEC  71  -1.488  -3.714   2.892
  579   1HBC  HEC  71          HT41      HEC  71  -3.333  -3.617   1.464
  580   2HBC  HEC  71          HT42      HEC  71  -3.590  -5.355   1.517
  581   3HBC  HEC  71          HT43      HEC  71  -3.880  -4.381   2.977
  582   1HMD  HEC  71          HM51      HEC  71   1.799  -1.520   4.357
  583   2HMD  HEC  71          HM52      HEC  71   3.549  -1.834   4.321
  584   3HMD  HEC  71          HM53      HEC  71   2.434  -2.821   3.373
  585   1HAD  HEC  71          HP61      HEC  71   4.600  -1.759   6.205
  586   2HAD  HEC  71          HP62      HEC  71   4.080  -1.988   7.838
  587   1HBD  HEC  71          HP63      HEC  71   5.508  -4.360   7.159
  588   2HBD  HEC  71          HP64      HEC  71   6.414  -3.026   6.466
  Start of MODEL   33
    1   1H    ALA   1          1H        ALA   1  10.065   4.382  -5.748
    2   2H    ALA   1          2H        ALA   1  11.102   5.526  -6.263
    3   3H    ALA   1          3H        ALA   1   9.829   5.125  -7.200
    4    HA   ALA   1           HA       ALA   1  11.759   4.097  -8.132
    5   1HB   ALA   1          1HB       ALA   1  13.122   4.052  -6.100
    6   2HB   ALA   1          2HB       ALA   1  12.044   2.852  -5.360
    7   3HB   ALA   1          3HB       ALA   1  13.004   2.421  -6.790
    8    H    ASP   2           H        ASP   2  10.087   3.270  -9.493
    9    HA   ASP   2           HA       ASP   2   7.983   1.880  -9.316
   10   1HB   ASP   2          1HB       ASP   2  10.320   1.065 -11.080
   11   2HB   ASP   2          2HB       ASP   2   8.616   0.724 -11.394
   12    H    VAL   3           H        VAL   3   7.307   0.333  -7.978
   13    HA   VAL   3           HA       VAL   3   6.988  -1.603  -6.949
   14    HB   VAL   3           HB       VAL   3   9.247  -2.873  -8.528
   15   1HG1  VAL   3          1HG1      VAL   3   8.397  -4.177  -6.596
   16   2HG1  VAL   3          2HG1      VAL   3   6.738  -4.004  -7.206
   17   3HG1  VAL   3          3HG1      VAL   3   7.938  -4.922  -8.134
   18   1HG2  VAL   3          1HG2      VAL   3   6.307  -2.535  -9.288
   19   2HG2  VAL   3          2HG2      VAL   3   7.702  -1.856 -10.153
   20   3HG2  VAL   3          3HG2      VAL   3   7.463  -3.602 -10.102
   21    H    VAL   4           H        VAL   4   7.416  -1.115  -4.845
   22    HA   VAL   4           HA       VAL   4  10.259  -1.223  -3.881
   23    HB   VAL   4           HB       VAL   4   7.863   0.278  -2.864
   24   1HG1  VAL   4          1HG1      VAL   4   9.166  -0.450  -0.881
   25   2HG1  VAL   4          2HG1      VAL   4  10.675   0.027  -1.677
   26   3HG1  VAL   4          3HG1      VAL   4   9.501   1.250  -1.161
   27   1HG2  VAL   4          1HG2      VAL   4   8.770   1.463  -4.675
   28   2HG2  VAL   4          2HG2      VAL   4   9.280   2.298  -3.207
   29   3HG2  VAL   4          3HG2      VAL   4  10.442   1.261  -4.070
   30    H    THR   5           H        THR   5  10.389  -2.173  -1.682
   31    HA   THR   5           HA       THR   5   7.915  -3.296  -0.764
   32    HB   THR   5           HB       THR   5   9.040  -5.312  -1.694
   33    HG1  THR   5           HG1      THR   5   8.174  -5.057   0.595
   34   1HG2  THR   5          1HG2      THR   5  11.454  -4.589   0.027
   35   2HG2  THR   5          2HG2      THR   5  11.225  -6.088  -0.886
   36   3HG2  THR   5          3HG2      THR   5  11.385  -4.550  -1.748
   37    H    TYR   6           H        TYR   6   7.578  -3.176   1.366
   38    HA   TYR   6           HA       TYR   6   9.168  -1.254   2.805
   39   1HB   TYR   6          1HB       TYR   6   6.952  -3.003   3.838
   40   2HB   TYR   6          2HB       TYR   6   7.618  -1.578   4.633
   41    HD1  TYR   6           HD1      TYR   6   7.601   0.676   3.268
   42    HD2  TYR   6           HD2      TYR   6   5.112  -2.727   2.432
   43    HE1  TYR   6           HE1      TYR   6   6.093   2.092   1.902
   44    HE2  TYR   6           HE2      TYR   6   3.613  -1.311   1.096
   45    HH   TYR   6           HH       TYR   6   3.865   0.776  -0.158
   46    H    GLU   7           H        GLU   7  10.913  -3.413   2.231
   47    HA   GLU   7           HA       GLU   7  11.043  -5.732   3.236
   48   1HB   GLU   7          1HB       GLU   7  13.463  -5.585   3.651
   49   2HB   GLU   7          2HB       GLU   7  12.849  -5.054   2.084
   50   1HG   GLU   7          1HG       GLU   7  13.028  -2.656   2.822
   51   2HG   GLU   7          2HG       GLU   7  13.715  -3.209   4.358
   52    H    ASN   8           H        ASN   8   9.688  -5.942   4.828
   53    HA   ASN   8           HA       ASN   8  10.381  -5.297   7.639
   54   1HB   ASN   8          1HB       ASN   8   7.914  -5.756   7.959
   55   2HB   ASN   8          2HB       ASN   8   8.269  -4.436   6.852
   56   1HD2  ASN   8          1HD2      ASN   8   7.063  -7.679   7.128
   57   2HD2  ASN   8          2HD2      ASN   8   6.575  -7.885   5.424
   58    H    LYS   9           H        LYS   9   9.166  -7.082   9.212
   59    HA   LYS   9           HA       LYS   9  11.136  -9.161   8.926
   60   1HB   LYS   9          1HB       LYS   9  10.237  -7.727  11.066
   61   2HB   LYS   9          2HB       LYS   9   9.128  -9.079  11.169
   62   1HG   LYS   9          1HG       LYS   9  10.941  -9.578  12.572
   63   2HG   LYS   9          2HG       LYS   9  11.129 -10.633  11.167
   64   1HD   LYS   9          1HD       LYS   9  12.486  -7.972  10.925
   65   2HD   LYS   9          2HD       LYS   9  13.062  -8.884  12.307
   66   1HE   LYS   9          1HE       LYS   9  13.041  -9.904   9.417
   67   2HE   LYS   9          2HE       LYS   9  14.423  -9.192  10.242
   68   1HZ   LYS   9          1HZ       LYS   9  13.051 -11.666  11.061
   69   2HZ   LYS   9          2HZ       LYS   9  14.504 -11.569  10.302
   70   3HZ   LYS   9          3HZ       LYS   9  14.340 -10.990  11.832
   71    H    LYS  10           H        LYS  10   7.626  -8.854   9.069
   72    HA   LYS  10           HA       LYS  10   6.716 -11.460   9.101
   73   1HB   LYS  10          1HB       LYS  10   5.797  -9.007   7.612
   74   2HB   LYS  10          2HB       LYS  10   4.984 -10.502   7.253
   75   1HG   LYS  10          1HG       LYS  10   5.429  -9.340  10.010
   76   2HG   LYS  10          2HG       LYS  10   3.985  -9.023   9.034
   77   1HD   LYS  10          1HD       LYS  10   4.827 -11.628  10.365
   78   2HD   LYS  10          2HD       LYS  10   3.322 -10.716  10.541
   79   1HE   LYS  10          1HE       LYS  10   2.838 -11.243   8.074
   80   2HE   LYS  10          2HE       LYS  10   4.233 -12.343   8.098
   81   1HZ   LYS  10          1HZ       LYS  10   2.297 -13.541   8.427
   82   2HZ   LYS  10          2HZ       LYS  10   3.169 -13.590   9.819
   83   3HZ   LYS  10          3HZ       LYS  10   1.824 -12.634   9.722
   84    H    GLY  11           H        GLY  11   7.361  -9.789   6.036
   85   1HA   GLY  11          1HA       GLY  11   8.447 -11.910   4.501
   86   2HA   GLY  11          2HA       GLY  11   6.677 -12.075   4.473
   87    H    ASN  12           H        ASN  12   9.233  -9.734   4.211
   88    HA   ASN  12           HA       ASN  12   8.943  -7.420   3.477
   89   1HB   ASN  12          1HB       ASN  12   9.814  -9.148   1.216
   90   2HB   ASN  12          2HB       ASN  12  10.240  -7.461   1.470
   91   1HD2  ASN  12          1HD2      ASN  12  10.551  -8.291   4.671
   92   2HD2  ASN  12          2HD2      ASN  12  12.153  -8.920   4.562
   93    H    VAL  13           H        VAL  13   7.078  -6.452   3.181
   94    HA   VAL  13           HA       VAL  13   4.952  -7.376   1.440
   95    HB   VAL  13           HB       VAL  13   5.375  -4.825   3.045
   96   1HG1  VAL  13          1HG1      VAL  13   3.910  -4.186   1.248
   97   2HG1  VAL  13          2HG1      VAL  13   3.061  -5.750   1.290
   98   3HG1  VAL  13          3HG1      VAL  13   2.851  -4.589   2.606
   99   1HG2  VAL  13          1HG2      VAL  13   5.033  -6.887   4.364
  100   2HG2  VAL  13          2HG2      VAL  13   3.723  -5.719   4.545
  101   3HG2  VAL  13          3HG2      VAL  13   3.488  -7.150   3.518
  102    H    THR  14           H        THR  14   5.359  -7.284  -0.700
  103    HA   THR  14           HA       THR  14   6.819  -5.075  -1.934
  104    HB   THR  14           HB       THR  14   6.970  -7.389  -2.776
  105    HG1  THR  14           HG1      THR  14   6.625  -6.728  -4.991
  106   1HG2  THR  14          1HG2      THR  14   4.567  -8.070  -2.469
  107   2HG2  THR  14          2HG2      THR  14   4.120  -6.985  -3.801
  108   3HG2  THR  14          3HG2      THR  14   5.179  -8.374  -4.102
  109    H    PHE  15           H        PHE  15   5.920  -3.482  -3.302
  110    HA   PHE  15           HA       PHE  15   3.043  -3.465  -3.724
  111   1HB   PHE  15          1HB       PHE  15   2.629  -1.227  -2.932
  112   2HB   PHE  15          2HB       PHE  15   3.113  -2.282  -1.611
  113    HD1  PHE  15           HD1      PHE  15   3.762   0.860  -3.241
  114    HD2  PHE  15           HD2      PHE  15   5.563  -2.252  -0.848
  115    HE1  PHE  15           HE1      PHE  15   5.387   2.497  -2.315
  116    HE2  PHE  15           HE2      PHE  15   7.158  -0.619   0.071
  117    HZ   PHE  15           HZ       PHE  15   7.060   1.737  -0.615
  118    H    ASP  16           H        ASP  16   2.932  -3.270  -5.797
  119    HA   ASP  16           HA       ASP  16   4.876  -2.244  -7.492
  120   1HB   ASP  16          1HB       ASP  16   1.916  -2.675  -8.023
  121   2HB   ASP  16          2HB       ASP  16   3.262  -2.717  -9.199
  122    H    HIS  17           H        HIS  17   5.212  -0.212  -6.299
  123    HA   HIS  17           HA       HIS  17   3.668   1.960  -5.960
  124   1HB   HIS  17          1HB       HIS  17   6.037   1.767  -5.358
  125   2HB   HIS  17          2HB       HIS  17   6.524   1.919  -7.043
  126    HD1  HIS  17           HND      HIS  17   6.965   4.361  -7.866
  127    HD2  HIS  17           HD       HIS  17   4.619   4.066  -4.386
  128    HE1  HIS  17           HE       HIS  17   6.545   6.748  -7.032
  129    H    LYS  18           H        LYS  18   5.597   1.733  -8.983
  130    HA   LYS  18           HA       LYS  18   4.295   3.710 -10.448
  131   1HB   LYS  18          1HB       LYS  18   6.336   2.861 -11.281
  132   2HB   LYS  18          2HB       LYS  18   5.759   1.180 -11.292
  133   1HG   LYS  18          1HG       LYS  18   4.228   1.607 -13.111
  134   2HG   LYS  18          2HG       LYS  18   4.474   3.359 -12.969
  135   1HD   LYS  18          1HD       LYS  18   6.752   3.135 -13.756
  136   2HD   LYS  18          2HD       LYS  18   6.641   1.359 -13.685
  137   1HE   LYS  18          1HE       LYS  18   4.731   1.530 -15.409
  138   2HE   LYS  18          2HE       LYS  18   5.089   3.260 -15.526
  139   1HZ   LYS  18          1HZ       LYS  18   6.195   2.056 -17.237
  140   2HZ   LYS  18          2HZ       LYS  18   7.340   2.642 -16.196
  141   3HZ   LYS  18          3HZ       LYS  18   6.927   1.050 -16.157
  142    H    ALA  19           H        ALA  19   3.582   0.183 -10.449
  143    HA   ALA  19           HA       ALA  19   1.510   0.154 -12.294
  144   1HB   ALA  19          1HB       ALA  19   2.427  -1.840 -11.143
  145   2HB   ALA  19          2HB       ALA  19   1.476  -1.336  -9.708
  146   3HB   ALA  19          3HB       ALA  19   0.643  -1.796 -11.199
  147    H    HIS  20           H        HIS  20   1.137   0.665  -8.728
  148    HA   HIS  20           HA       HIS  20  -1.677   1.194  -8.771
  149   1HB   HIS  20          1HB       HIS  20   0.548   2.109  -6.903
  150   2HB   HIS  20          2HB       HIS  20  -1.146   2.534  -6.695
  151    HD1  HIS  20           HND      HIS  20   0.969  -0.702  -6.821
  152    HD2  HIS  20           HD       HIS  20  -2.619   0.884  -5.304
  153    HE1  HIS  20           HE       HIS  20  -0.037  -2.473  -5.262
  154    H    ALA  21           H        ALA  21   1.186   3.157  -9.420
  155    HA   ALA  21           HA       ALA  21  -0.166   5.702  -9.515
  156   1HB   ALA  21          1HB       ALA  21   2.293   5.114 -11.183
  157   2HB   ALA  21          2HB       ALA  21   1.749   6.606 -10.459
  158   3HB   ALA  21          3HB       ALA  21   2.368   5.291  -9.421
  159    H    GLU  22           H        GLU  22   0.591   3.400 -12.146
  160    HA   GLU  22           HA       GLU  22  -0.653   5.098 -14.160
  161   1HB   GLU  22          1HB       GLU  22  -0.518   3.104 -15.664
  162   2HB   GLU  22          2HB       GLU  22   1.024   3.729 -15.064
  163   1HG   GLU  22          1HG       GLU  22   1.314   1.901 -13.600
  164   2HG   GLU  22          2HG       GLU  22  -0.365   1.345 -13.801
  165    H    LYS  23           H        LYS  23  -1.747   2.256 -12.286
  166    HA   LYS  23           HA       LYS  23  -4.233   2.020 -13.742
  167   1HB   LYS  23          1HB       LYS  23  -3.555   1.073 -10.931
  168   2HB   LYS  23          2HB       LYS  23  -4.927   0.563 -11.916
  169   1HG   LYS  23          1HG       LYS  23  -1.992  -0.025 -12.402
  170   2HG   LYS  23          2HG       LYS  23  -3.269  -1.163 -11.981
  171   1HD   LYS  23          1HD       LYS  23  -4.289  -0.656 -14.263
  172   2HD   LYS  23          2HD       LYS  23  -2.876   0.389 -14.573
  173   1HE   LYS  23          1HE       LYS  23  -1.504  -1.789 -13.833
  174   2HE   LYS  23          2HE       LYS  23  -2.988  -2.627 -14.314
  175   1HZ   LYS  23          1HZ       LYS  23  -1.420  -2.451 -16.112
  176   2HZ   LYS  23          2HZ       LYS  23  -2.699  -1.474 -16.492
  177   3HZ   LYS  23          3HZ       LYS  23  -1.278  -0.840 -15.933
  178    H    LEU  24           H        LEU  24  -3.282   3.769 -10.756
  179    HA   LEU  24           HA       LEU  24  -6.083   4.660 -10.397
  180   1HB   LEU  24          1HB       LEU  24  -3.672   5.176  -8.642
  181   2HB   LEU  24          2HB       LEU  24  -5.377   5.380  -8.244
  182    HG   LEU  24           HG       LEU  24  -4.144   2.650  -8.912
  183   1HD1  LEU  24          1HD1      LEU  24  -4.692   3.969  -6.261
  184   2HD1  LEU  24          2HD1      LEU  24  -4.176   2.280  -6.481
  185   3HD1  LEU  24          3HD1      LEU  24  -3.094   3.621  -6.920
  186   1HD2  LEU  24          1HD2      LEU  24  -6.804   3.482  -7.679
  187   2HD2  LEU  24          2HD2      LEU  24  -6.563   2.711  -9.267
  188   3HD2  LEU  24          3HD2      LEU  24  -6.173   1.830  -7.787
  189    H    GLY  25           H        GLY  25  -2.771   6.195 -10.682
  190   1HA   GLY  25          1HA       GLY  25  -3.076   8.119 -12.362
  191   2HA   GLY  25          2HA       GLY  25  -4.028   8.852 -11.047
  192    H    CYS  26           H        CYS  26  -3.015   9.074  -8.971
  193    HA   CYS  26           HA       CYS  26  -0.322   8.644  -8.293
  194   1HB   CYS  26          1HB       CYS  26  -0.027  10.417 -10.309
  195   2HB   CYS  26          2HB       CYS  26  -0.650  11.554  -9.145
  196    H    ASP  27           H        ASP  27  -2.820  10.909  -8.371
  197    HA   ASP  27           HA       ASP  27  -3.024  12.411  -6.055
  198   1HB   ASP  27          1HB       ASP  27  -5.473  12.166  -6.576
  199   2HB   ASP  27          2HB       ASP  27  -4.497  12.654  -7.962
  200    H    ALA  28           H        ALA  28  -4.207   9.199  -6.785
  201    HA   ALA  28           HA       ALA  28  -5.469   8.132  -4.805
  202   1HB   ALA  28          1HB       ALA  28  -4.296   5.990  -5.226
  203   2HB   ALA  28          2HB       ALA  28  -4.619   6.900  -6.724
  204   3HB   ALA  28          3HB       ALA  28  -2.984   6.877  -6.036
  205    H    CYS  29           H        CYS  29  -1.912   8.590  -4.474
  206    HA   CYS  29           HA       CYS  29  -2.178   7.997  -1.523
  207   1HB   CYS  29          1HB       CYS  29   0.140   7.388  -3.316
  208   2HB   CYS  29          2HB       CYS  29  -0.058   6.896  -1.624
  209    H    HIS  30           H        HIS  30  -1.694  10.510  -3.629
  210    HA   HIS  30           HA       HIS  30   0.404  11.831  -1.979
  211   1HB   HIS  30          1HB       HIS  30   0.626  11.164  -4.938
  212   2HB   HIS  30          2HB       HIS  30   1.644  12.342  -4.127
  213    HD1  HIS  30           HND      HIS  30   2.790  11.062  -1.745
  214    HD2  HIS  30           HD       HIS  30   2.114   9.103  -5.339
  215    HE1  HIS  30           HE       HIS  30   4.608   9.155  -1.949
  216    H    GLU  31           H        GLU  31  -1.930  12.644  -1.651
  217    HA   GLU  31           HA       GLU  31  -2.950  14.547  -3.562
  218   1HB   GLU  31          1HB       GLU  31  -3.434  14.731  -0.536
  219   2HB   GLU  31          2HB       GLU  31  -4.443  15.232  -1.890
  220   1HG   GLU  31          1HG       GLU  31  -4.482  12.748  -2.519
  221   2HG   GLU  31          2HG       GLU  31  -3.866  12.419  -0.894
  222    H    GLY  32           H        GLY  32  -1.371  14.933  -0.479
  223   1HA   GLY  32          1HA       GLY  32  -0.923  17.739  -0.591
  224   2HA   GLY  32          2HA       GLY  32  -0.084  16.624   0.501
  225    H    THR  33           H        THR  33   1.638  15.205  -0.700
  226    HA   THR  33           HA       THR  33   2.873  16.141  -3.059
  227    HB   THR  33           HB       THR  33   3.625  18.074  -1.868
  228    HG1  THR  33           HG1      THR  33   5.848  16.381  -1.617
  229   1HG2  THR  33          1HG2      THR  33   4.891  17.998   0.243
  230   2HG2  THR  33          2HG2      THR  33   3.242  17.405   0.469
  231   3HG2  THR  33          3HG2      THR  33   4.591  16.256   0.389
  232    HA   PRO  34           HA       PRO  34   4.547  12.049  -2.043
  233   1HB   PRO  34          1HB       PRO  34   6.084  11.532  -4.173
  234   2HB   PRO  34          2HB       PRO  34   4.320  11.665  -4.358
  235   1HG   PRO  34          1HG       PRO  34   6.370  13.802  -4.875
  236   2HG   PRO  34          2HG       PRO  34   5.001  13.278  -5.914
  237   1HD   PRO  34          1HD       PRO  34   4.850  15.471  -4.271
  238   2HD   PRO  34          2HD       PRO  34   3.438  14.426  -4.610
  239    H    ALA  35           H        ALA  35   5.562  13.886  -0.423
  240    HA   ALA  35           HA       ALA  35   8.529  13.837  -0.652
  241   1HB   ALA  35          1HB       ALA  35   8.430  15.199   1.383
  242   2HB   ALA  35          2HB       ALA  35   7.402  15.880   0.103
  243   3HB   ALA  35          3HB       ALA  35   6.664  14.991   1.455
  244    H    LYS  36           H        LYS  36   7.716  11.315  -0.763
  245    HA   LYS  36           HA       LYS  36   7.414   9.341   0.000
  246   1HB   LYS  36          1HB       LYS  36   8.905   8.501   1.705
  247   2HB   LYS  36          2HB       LYS  36   9.742   9.533   0.563
  248   1HG   LYS  36          1HG       LYS  36  10.073  11.211   2.147
  249   2HG   LYS  36          2HG       LYS  36   8.787  10.646   3.231
  250   1HD   LYS  36          1HD       LYS  36  11.172   8.891   2.574
  251   2HD   LYS  36          2HD       LYS  36  11.252  10.091   3.883
  252   1HE   LYS  36          1HE       LYS  36   9.585   9.082   5.151
  253   2HE   LYS  36          2HE       LYS  36   8.857   8.221   3.818
  254   1HZ   LYS  36          1HZ       LYS  36  10.082   6.724   5.228
  255   2HZ   LYS  36          2HZ       LYS  36  10.516   6.711   3.666
  256   3HZ   LYS  36          3HZ       LYS  36  11.510   7.438   4.781
  257    H    ILE  37           H        ILE  37   6.427   7.792   1.533
  258    HA   ILE  37           HA       ILE  37   4.459   9.258   3.292
  259    HB   ILE  37           HB       ILE  37   4.140   6.490   2.158
  260   1HG1  ILE  37          1HG1      ILE  37   4.370   7.840   0.239
  261   2HG1  ILE  37          2HG1      ILE  37   2.672   7.424   0.460
  262   1HG2  ILE  37          1HG2      ILE  37   1.752   6.936   2.619
  263   2HG2  ILE  37          2HG2      ILE  37   2.742   7.053   4.089
  264   3HG2  ILE  37          3HG2      ILE  37   2.157   8.514   3.313
  265   1HD1  ILE  37          1HD1      ILE  37   2.440   9.642  -0.072
  266   2HD1  ILE  37          2HD1      ILE  37   2.566   9.836   1.664
  267   3HD1  ILE  37          3HD1      ILE  37   3.988  10.124   0.648
  268    H    ALA  38           H        ALA  38   6.097   6.221   3.066
  269    HA   ALA  38           HA       ALA  38   7.178   4.834   4.515
  270   1HB   ALA  38          1HB       ALA  38   6.631   6.740   6.805
  271   2HB   ALA  38          2HB       ALA  38   7.839   5.443   6.692
  272   3HB   ALA  38          3HB       ALA  38   7.972   6.883   5.648
  273    H    ILE  39           H        ILE  39   5.257   3.715   3.755
  274    HA   ILE  39           HA       ILE  39   3.136   3.267   5.790
  275    HB   ILE  39           HB       ILE  39   3.424   2.371   2.920
  276   1HG1  ILE  39          1HG1      ILE  39   2.915   4.687   3.016
  277   2HG1  ILE  39          2HG1      ILE  39   1.453   3.790   2.676
  278   1HG2  ILE  39          1HG2      ILE  39   1.045   1.585   3.291
  279   2HG2  ILE  39          2HG2      ILE  39   2.249   0.602   4.082
  280   3HG2  ILE  39          3HG2      ILE  39   1.336   1.787   5.031
  281   1HD1  ILE  39          1HD1      ILE  39   0.773   5.454   4.226
  282   2HD1  ILE  39          2HD1      ILE  39   0.926   4.004   5.223
  283   3HD1  ILE  39          3HD1      ILE  39   2.206   5.216   5.237
  284    H    ASP  40           H        ASP  40   4.474   2.628   7.195
  285    HA   ASP  40           HA       ASP  40   5.651  -0.127   6.984
  286   1HB   ASP  40          1HB       ASP  40   5.896   1.568   9.436
  287   2HB   ASP  40          2HB       ASP  40   6.972   0.290   8.799
  288    H    LYS  41           H        LYS  41   5.232  -1.444   9.137
  289    HA   LYS  41           HA       LYS  41   3.196  -1.928  10.455
  290   1HB   LYS  41          1HB       LYS  41   4.532  -1.814  12.580
  291   2HB   LYS  41          2HB       LYS  41   5.280  -2.604  11.207
  292   1HG   LYS  41          1HG       LYS  41   7.033  -1.458  12.080
  293   2HG   LYS  41          2HG       LYS  41   6.556  -0.443  10.750
  294   1HD   LYS  41          1HD       LYS  41   5.143   0.477  13.101
  295   2HD   LYS  41          2HD       LYS  41   6.787   0.134  13.594
  296   1HE   LYS  41          1HE       LYS  41   5.816   2.198  11.571
  297   2HE   LYS  41          2HE       LYS  41   6.685   2.433  13.075
  298   1HZ   LYS  41          1HZ       LYS  41   7.765   1.673  10.463
  299   2HZ   LYS  41          2HZ       LYS  41   8.282   2.729  11.502
  300   3HZ   LYS  41          3HZ       LYS  41   8.546   1.134  11.826
  301    H    LYS  42           H        LYS  42   1.709  -1.218  11.624
  302    HA   LYS  42           HA       LYS  42   0.172   0.034  12.612
  303   1HB   LYS  42          1HB       LYS  42   2.446   0.915  13.684
  304   2HB   LYS  42          2HB       LYS  42   2.029   2.436  12.894
  305   1HG   LYS  42          1HG       LYS  42   0.021   0.896  14.564
  306   2HG   LYS  42          2HG       LYS  42   1.343   1.778  15.320
  307   1HD   LYS  42          1HD       LYS  42   0.619   3.863  14.065
  308   2HD   LYS  42          2HD       LYS  42  -0.820   2.971  13.518
  309   1HE   LYS  42          1HE       LYS  42  -1.506   2.623  15.886
  310   2HE   LYS  42          2HE       LYS  42  -0.023   3.414  16.450
  311   1HZ   LYS  42          1HZ       LYS  42  -2.169   4.724  14.924
  312   2HZ   LYS  42          2HZ       LYS  42  -1.866   4.900  16.529
  313   3HZ   LYS  42          3HZ       LYS  42  -0.775   5.446  15.430
  314    H    SER  43           H        SER  43   2.033   2.220  10.472
  315    HA   SER  43           HA       SER  43  -0.153   3.909   9.761
  316   1HB   SER  43          1HB       SER  43   2.277   4.403   9.427
  317   2HB   SER  43          2HB       SER  43   2.310   3.263   8.077
  318    HG   SER  43           HG       SER  43   1.945   5.426   7.412
  319    H    ALA  44           H        ALA  44   1.334   1.344   7.777
  320    HA   ALA  44           HA       ALA  44  -0.377   0.676   5.823
  321   1HB   ALA  44          1HB       ALA  44   0.365  -1.620   6.226
  322   2HB   ALA  44          2HB       ALA  44   1.711  -0.437   6.363
  323   3HB   ALA  44          3HB       ALA  44   0.994  -1.151   7.820
  324    H    HIS  45           H        HIS  45  -0.783  -0.504   9.150
  325    HA   HIS  45           HA       HIS  45  -3.470  -1.569   8.488
  326   1HB   HIS  45          1HB       HIS  45  -1.469  -2.024  10.718
  327   2HB   HIS  45          2HB       HIS  45  -3.151  -2.522  10.878
  328    HD1  HIS  45           HND      HIS  45  -4.024  -4.528   9.482
  329    HD2  HIS  45           HD       HIS  45   0.026  -3.550   8.928
  330    HE1  HIS  45           HE       HIS  45  -2.940  -6.499   8.268
  331    H    LYS  46           H        LYS  46  -2.804   1.397   8.824
  332    HA   LYS  46           HA       LYS  46  -5.077   1.961  10.688
  333   1HB   LYS  46          1HB       LYS  46  -2.994   2.851  11.533
  334   2HB   LYS  46          2HB       LYS  46  -2.640   3.670  10.016
  335   1HG   LYS  46          1HG       LYS  46  -5.016   4.295  11.818
  336   2HG   LYS  46          2HG       LYS  46  -3.442   5.120  11.854
  337   1HD   LYS  46          1HD       LYS  46  -3.790   5.642   9.374
  338   2HD   LYS  46          2HD       LYS  46  -5.479   5.125   9.630
  339   1HE   LYS  46          1HE       LYS  46  -5.723   6.844  11.403
  340   2HE   LYS  46          2HE       LYS  46  -4.103   7.456  10.999
  341   1HZ   LYS  46          1HZ       LYS  46  -4.915   7.878   8.765
  342   2HZ   LYS  46          2HZ       LYS  46  -6.363   7.223   9.107
  343   3HZ   LYS  46          3HZ       LYS  46  -5.916   8.633   9.839
  344    H    ASP  47           H        ASP  47  -3.326   3.415   7.899
  345    HA   ASP  47           HA       ASP  47  -5.664   3.300   6.168
  346   1HB   ASP  47          1HB       ASP  47  -4.822   5.984   7.345
  347   2HB   ASP  47          2HB       ASP  47  -5.474   5.849   5.726
  348    H    ALA  48           H        ALA  48  -4.130   2.114   4.953
  349    HA   ALA  48           HA       ALA  48  -2.712   3.966   3.188
  350   1HB   ALA  48          1HB       ALA  48  -1.033   1.649   4.119
  351   2HB   ALA  48          2HB       ALA  48  -0.575   3.200   3.419
  352   3HB   ALA  48          3HB       ALA  48  -1.076   3.087   5.127
  353    H    CYS  49           H        CYS  49  -2.576   0.466   3.763
  354    HA   CYS  49           HA       CYS  49  -3.258  -0.074   0.957
  355   1HB   CYS  49          1HB       CYS  49  -2.443  -2.025   3.087
  356   2HB   CYS  49          2HB       CYS  49  -2.268  -2.188   1.347
  357    H    LYS  50           H        LYS  50  -4.211  -1.302   4.154
  358    HA   LYS  50           HA       LYS  50  -6.364  -2.868   3.088
  359   1HB   LYS  50          1HB       LYS  50  -4.753  -3.286   5.058
  360   2HB   LYS  50          2HB       LYS  50  -5.771  -2.213   6.015
  361   1HG   LYS  50          1HG       LYS  50  -7.682  -3.750   5.693
  362   2HG   LYS  50          2HG       LYS  50  -6.695  -4.758   4.604
  363   1HD   LYS  50          1HD       LYS  50  -5.033  -5.046   6.504
  364   2HD   LYS  50          2HD       LYS  50  -6.184  -4.258   7.581
  365   1HE   LYS  50          1HE       LYS  50  -6.636  -6.850   5.992
  366   2HE   LYS  50          2HE       LYS  50  -6.203  -6.765   7.701
  367   1HZ   LYS  50          1HZ       LYS  50  -8.698  -5.727   6.535
  368   2HZ   LYS  50          2HZ       LYS  50  -8.536  -7.111   7.404
  369   3HZ   LYS  50          3HZ       LYS  50  -8.284  -5.657   8.129
  370    H    THR  51           H        THR  51  -6.859  -0.285   2.341
  371    HA   THR  51           HA       THR  51  -9.305   0.541   3.753
  372    HB   THR  51           HB       THR  51  -7.887   2.067   4.693
  373    HG1  THR  51           HG1      THR  51  -8.611   3.941   3.888
  374   1HG2  THR  51          1HG2      THR  51  -6.221   3.437   3.609
  375   2HG2  THR  51          2HG2      THR  51  -5.824   1.725   3.431
  376   3HG2  THR  51          3HG2      THR  51  -6.471   2.646   2.058
  377    H    CYS  52           H        CYS  52  -7.508   1.714   0.757
  378    HA   CYS  52           HA       CYS  52  -9.758   1.708  -0.888
  379   1HB   CYS  52          1HB       CYS  52  -7.570   2.806  -1.247
  380   2HB   CYS  52          2HB       CYS  52  -6.829   1.188  -1.332
  381    H    HIS  53           H        HIS  53  -7.299  -0.831  -0.146
  382    HA   HIS  53           HA       HIS  53  -8.164  -2.765  -1.983
  383   1HB   HIS  53          1HB       HIS  53  -6.798  -2.937   0.714
  384   2HB   HIS  53          2HB       HIS  53  -7.371  -4.379  -0.110
  385    HD1  HIS  53           HND      HIS  53  -5.396  -5.519  -1.137
  386    HD2  HIS  53           HD       HIS  53  -5.364  -1.365  -1.711
  387    HE1  HIS  53           HE       HIS  53  -3.561  -5.027  -2.809
  388    H    LYS  54           H        LYS  54  -9.855  -1.698   0.990
  389    HA   LYS  54           HA       LYS  54 -11.515  -4.077   1.158
  390   1HB   LYS  54          1HB       LYS  54 -12.090  -1.282   2.192
  391   2HB   LYS  54          2HB       LYS  54 -12.852  -2.800   2.674
  392   1HG   LYS  54          1HG       LYS  54 -10.586  -3.632   3.422
  393   2HG   LYS  54          2HG       LYS  54  -9.940  -2.002   3.177
  394   1HD   LYS  54          1HD       LYS  54 -12.307  -2.674   4.959
  395   2HD   LYS  54          2HD       LYS  54 -10.624  -2.576   5.527
  396   1HE   LYS  54          1HE       LYS  54 -10.474  -0.293   5.329
  397   2HE   LYS  54          2HE       LYS  54 -11.737  -0.162   4.090
  398   1HZ   LYS  54          1HZ       LYS  54 -12.168  -0.720   6.946
  399   2HZ   LYS  54          2HZ       LYS  54 -12.411   0.715   6.186
  400   3HZ   LYS  54          3HZ       LYS  54 -13.350  -0.577   5.802
  401    H    SER  55           H        SER  55 -11.585  -1.021  -0.651
  402    HA   SER  55           HA       SER  55 -14.395  -1.068  -1.336
  403   1HB   SER  55          1HB       SER  55 -12.798   0.928  -1.479
  404   2HB   SER  55          2HB       SER  55 -12.103   0.177  -2.930
  405    HG   SER  55           HG       SER  55 -13.756   1.624  -3.484
  406    H    ASN  56           H        ASN  56 -11.384  -2.163  -2.806
  407    HA   ASN  56           HA       ASN  56 -12.520  -3.362  -5.173
  408   1HB   ASN  56          1HB       ASN  56  -9.853  -3.848  -3.761
  409   2HB   ASN  56          2HB       ASN  56 -10.301  -4.442  -5.363
  410   1HD2  ASN  56          1HD2      ASN  56  -9.686  -1.360  -3.474
  411   2HD2  ASN  56          2HD2      ASN  56  -9.372  -0.449  -4.924
  412    H    ASN  57           H        ASN  57 -11.409  -4.651  -2.050
  413    HA   ASN  57           HA       ASN  57 -12.082  -6.282  -0.740
  414   1HB   ASN  57          1HB       ASN  57 -14.422  -5.673  -1.602
  415   2HB   ASN  57          2HB       ASN  57 -14.294  -7.086  -2.667
  416   1HD2  ASN  57          1HD2      ASN  57 -16.374  -7.364  -1.177
  417   2HD2  ASN  57          2HD2      ASN  57 -16.087  -8.353   0.246
  418    H    GLY  58           H        GLY  58 -12.163  -8.746  -0.598
  419   1HA   GLY  58          1HA       GLY  58 -11.803 -10.665  -2.358
  420   2HA   GLY  58          2HA       GLY  58 -10.220  -9.914  -2.533
  421    HA   PRO  59           HA       PRO  59  -9.139 -12.366   1.019
  422   1HB   PRO  59          1HB       PRO  59  -6.778 -11.221   1.859
  423   2HB   PRO  59          2HB       PRO  59  -6.908 -11.966   0.241
  424   1HG   PRO  59          1HG       PRO  59  -7.252  -9.031   0.944
  425   2HG   PRO  59          2HG       PRO  59  -6.177  -9.729  -0.304
  426   1HD   PRO  59          1HD       PRO  59  -8.663  -8.772  -0.918
  427   2HD   PRO  59          2HD       PRO  59  -8.011 -10.235  -1.718
  428    H    THR  60           H        THR  60  -8.328 -12.113   3.318
  429    HA   THR  60           HA       THR  60 -10.762 -10.828   4.439
  430    HB   THR  60           HB       THR  60 -11.075 -12.759   2.883
  431    HG1  THR  60           HG1      THR  60 -12.724 -13.082   3.859
  432   1HG2  THR  60          1HG2      THR  60  -9.142 -14.198   3.511
  433   2HG2  THR  60          2HG2      THR  60  -9.951 -14.537   5.069
  434   3HG2  THR  60          3HG2      THR  60 -10.706 -15.017   3.549
  435    H    LYS  61           H        LYS  61  -8.131 -13.177   5.128
  436    HA   LYS  61           HA       LYS  61  -7.752 -11.862   7.789
  437   1HB   LYS  61          1HB       LYS  61  -6.887 -14.625   6.828
  438   2HB   LYS  61          2HB       LYS  61  -6.353 -13.833   8.329
  439   1HG   LYS  61          1HG       LYS  61  -8.772 -13.632   9.002
  440   2HG   LYS  61          2HG       LYS  61  -9.209 -14.580   7.570
  441   1HD   LYS  61          1HD       LYS  61  -7.806 -16.463   8.384
  442   2HD   LYS  61          2HD       LYS  61  -7.310 -15.493   9.788
  443   1HE   LYS  61          1HE       LYS  61  -9.704 -15.363  10.526
  444   2HE   LYS  61          2HE       LYS  61 -10.170 -16.387   9.158
  445   1HZ   LYS  61          1HZ       LYS  61  -9.933 -17.643  11.175
  446   2HZ   LYS  61          2HZ       LYS  61  -8.799 -18.134  10.093
  447   3HZ   LYS  61          3HZ       LYS  61  -8.371 -17.175  11.360
  448    H    CYS  62           H        CYS  62  -5.223 -13.659   6.173
  449    HA   CYS  62           HA       CYS  62  -3.866 -11.102   5.511
  450   1HB   CYS  62          1HB       CYS  62  -2.428 -13.605   6.321
  451   2HB   CYS  62          2HB       CYS  62  -1.858 -11.926   6.364
  452    H    GLY  63           H        GLY  63  -1.627 -12.293   4.280
  453   1HA   GLY  63          1HA       GLY  63  -1.004 -13.802   2.586
  454   2HA   GLY  63          2HA       GLY  63  -2.690 -14.029   2.107
  455    H    GLY  64           H        GLY  64  -3.429 -11.294   1.964
  456   1HA   GLY  64          1HA       GLY  64  -3.138 -10.588  -0.627
  457   2HA   GLY  64          2HA       GLY  64  -3.327  -9.409   0.685
  458    H    CYS  65           H        CYS  65  -1.018  -9.356   1.957
  459    HA   CYS  65           HA       CYS  65   0.619  -7.913  -0.082
  460   1HB   CYS  65          1HB       CYS  65   0.026  -7.212   2.763
  461   2HB   CYS  65          2HB       CYS  65   0.674  -6.132   1.517
  462    H    HIS  66           H        HIS  66   0.825  -9.411   3.186
  463    HA   HIS  66           HA       HIS  66   3.720  -9.519   3.207
  464   1HB   HIS  66          1HB       HIS  66   1.673 -11.203   4.714
  465   2HB   HIS  66          2HB       HIS  66   3.392 -11.165   5.022
  466    HD1  HIS  66           HND      HIS  66   4.368  -8.616   5.835
  467    HD2  HIS  66           HD       HIS  66   0.192  -9.206   5.846
  468    HE1  HIS  66           HE       HIS  66   3.359  -6.756   7.182
  469    H    ILE  67           H        ILE  67   4.937 -10.824   1.922
  470    HA   ILE  67           HA       ILE  67   3.616 -13.020   0.440
  471    HB   ILE  67           HB       ILE  67   6.491 -12.064   0.330
  472   1HG1  ILE  67          1HG1      ILE  67   5.081 -10.185  -0.272
  473   2HG1  ILE  67          2HG1      ILE  67   5.841 -10.852  -1.712
  474   1HG2  ILE  67          1HG2      ILE  67   6.422 -13.166  -1.924
  475   2HG2  ILE  67          2HG2      ILE  67   6.248 -14.309  -0.590
  476   3HG2  ILE  67          3HG2      ILE  67   4.825 -13.830  -1.523
  477   1HD1  ILE  67          1HD1      ILE  67   3.691 -12.011  -2.287
  478   2HD1  ILE  67          2HD1      ILE  67   2.938 -11.267  -0.856
  479   3HD1  ILE  67          3HD1      ILE  67   3.529 -10.256  -2.174
  480    H    LYS  68           H        LYS  68   3.079 -13.880   2.540
  481    HA   LYS  68           HA       LYS  68   3.196 -16.102   3.294
  482   1HB   LYS  68          1HB       LYS  68   5.537 -16.519   2.487
  483   2HB   LYS  68          2HB       LYS  68   6.132 -15.646   3.914
  484   1HG   LYS  68          1HG       LYS  68   6.346 -17.979   4.252
  485   2HG   LYS  68          2HG       LYS  68   5.154 -17.361   5.373
  486   1HD   LYS  68          1HD       LYS  68   3.763 -18.239   2.950
  487   2HD   LYS  68          2HD       LYS  68   4.964 -19.454   3.340
  488   1HE   LYS  68          1HE       LYS  68   2.895 -20.057   4.447
  489   2HE   LYS  68          2HE       LYS  68   4.095 -19.608   5.668
  490   1HZ   LYS  68          1HZ       LYS  68   3.025 -17.383   5.716
  491   2HZ   LYS  68          2HZ       LYS  68   1.888 -17.905   4.688
  492   3HZ   LYS  68          3HZ       LYS  68   2.009 -18.586   6.182
  493    HHA  HEC  69           HCM      HEC  69   8.197   7.063  -1.712
  494    HHB  HEC  69           HDM      HEC  69   6.777  10.589  -6.800
  495    HHC  HEC  69           HAM      HEC  69   1.528   6.966  -7.677
  496    HHD  HEC  69           HBM      HEC  69   2.356   4.704  -1.751
  497   1HMA  HEC  69          HM81      HEC  69   9.074  10.560  -6.548
  498   2HMA  HEC  69          HM82      HEC  69   8.800  11.670  -5.174
  499   3HMA  HEC  69          HM83      HEC  69  10.170  10.540  -5.179
  500   1HAA  HEC  69          HP71      HEC  69  10.390   9.842  -3.085
  501   2HAA  HEC  69          HP72      HEC  69   9.628   8.852  -1.856
  502   1HBA  HEC  69          HP73      HEC  69  11.639   7.756  -2.523
  503   2HBA  HEC  69          HP74      HEC  69  10.290   6.803  -3.153
  504   1HMB  HEC  69          HM11      HEC  69   4.118  11.432  -9.217
  505   2HMB  HEC  69          HM12      HEC  69   5.584  11.567  -8.292
  506   3HMB  HEC  69          HM13      HEC  69   5.554  10.502  -9.716
  507    HAB  HEC  69          HT2A      HEC  69   1.583   8.426  -9.195
  508   1HBB  HEC  69          HT21      HEC  69   3.234  10.313 -10.870
  509   2HBB  HEC  69          HT22      HEC  69   3.341   8.545 -10.973
  510   3HBB  HEC  69          HT23      HEC  69   1.812   9.366 -11.307
  511   1HMC  HEC  69          HM31      HEC  69  -0.583   6.481  -6.613
  512   2HMC  HEC  69          HM32      HEC  69   0.009   4.904  -7.196
  513   3HMC  HEC  69          HM33      HEC  69  -1.078   4.997  -5.799
  514    HAC  HEC  69          HT4A      HEC  69   0.404   4.326  -2.270
  515   1HBC  HEC  69          HT41      HEC  69  -1.064   3.134  -4.595
  516   2HBC  HEC  69          HT42      HEC  69   0.471   2.461  -4.006
  517   3HBC  HEC  69          HT43      HEC  69  -0.939   2.565  -2.939
  518   1HMD  HEC  69          HM51      HEC  69   3.926   3.447  -0.259
  519   2HMD  HEC  69          HM52      HEC  69   4.851   4.226   1.040
  520   3HMD  HEC  69          HM53      HEC  69   3.266   4.868   0.562
  521   1HAD  HEC  69          HP61      HEC  69   7.035   4.374   0.487
  522   2HAD  HEC  69          HP62      HEC  69   8.063   4.929  -0.807
  523   1HBD  HEC  69          HP63      HEC  69   7.896   7.199   0.401
  524   2HBD  HEC  69          HP64      HEC  69   7.354   6.221   1.772
  525    HHA  HEC  70           HCM      HEC  70  -3.141  -5.046  -7.089
  526    HHB  HEC  70           HDM      HEC  70   0.270  -4.509  -1.697
  527    HHC  HEC  70           HAM      HEC  70  -2.351   1.244  -0.673
  528    HHD  HEC  70           HBM      HEC  70  -6.588  -0.139  -5.171
  529   1HMA  HEC  70          HM81      HEC  70  -0.012  -7.687  -3.728
  530   2HMA  HEC  70          HM82      HEC  70   1.296  -6.473  -3.741
  531   3HMA  HEC  70          HM83      HEC  70   0.236  -6.681  -2.321
  532   1HAA  HEC  70          HP71      HEC  70  -1.384  -6.648  -7.082
  533   2HAA  HEC  70          HP72      HEC  70  -0.640  -7.643  -5.843
  534   1HBA  HEC  70          HP73      HEC  70  -3.617  -7.138  -6.214
  535   2HBA  HEC  70          HP74      HEC  70  -2.736  -8.630  -6.519
  536   1HMB  HEC  70          HM11      HEC  70   0.345  -3.544   0.934
  537   2HMB  HEC  70          HM12      HEC  70   1.607  -3.376  -0.301
  538   3HMB  HEC  70          HM13      HEC  70   1.419  -2.128   0.931
  539    HAB  HEC  70          HT2A      HEC  70  -1.024   0.910   0.830
  540   1HBB  HEC  70          HT21      HEC  70   1.767   0.088   1.250
  541   2HBB  HEC  70          HT22      HEC  70   1.358   0.753  -0.349
  542   3HBB  HEC  70          HT23      HEC  70   1.055   1.700   1.103
  543   1HMC  HEC  70          HM31      HEC  70  -3.389   3.299  -1.401
  544   2HMC  HEC  70          HM32      HEC  70  -5.013   3.721  -1.945
  545   3HMC  HEC  70          HM33      HEC  70  -4.815   2.643  -0.565
  546    HAC  HEC  70          HT4A      HEC  70  -6.585   1.865  -4.953
  547   1HBC  HEC  70          HT41      HEC  70  -5.325   3.935  -4.213
  548   2HBC  HEC  70          HT42      HEC  70  -6.861   3.871  -5.106
  549   3HBC  HEC  70          HT43      HEC  70  -6.865   4.231  -3.351
  550   1HMD  HEC  70          HM51      HEC  70  -7.742  -1.646  -7.440
  551   2HMD  HEC  70          HM52      HEC  70  -6.811  -0.144  -7.231
  552   3HMD  HEC  70          HM53      HEC  70  -6.521  -1.166  -8.638
  553   1HAD  HEC  70          HP61      HEC  70  -5.765  -3.247  -9.240
  554   2HAD  HEC  70          HP62      HEC  70  -4.219  -4.035  -8.979
  555   1HBD  HEC  70          HP63      HEC  70  -5.367  -5.799  -7.648
  556   2HBD  HEC  70          HP64      HEC  70  -6.911  -4.977  -7.931
  557    HHA  HEC  71           HCM      HEC  71   3.507  -3.883   8.818
  558    HHB  HEC  71           HDM      HEC  71   0.555  -8.924  11.344
  559    HHC  HEC  71           HAM      HEC  71  -3.230  -9.227   6.174
  560    HHD  HEC  71           HBM      HEC  71  -0.124  -4.373   3.622
  561   1HMA  HEC  71          HM81      HEC  71   3.239  -6.876  13.086
  562   2HMA  HEC  71          HM82      HEC  71   1.655  -7.665  13.059
  563   3HMA  HEC  71          HM83      HEC  71   3.072  -8.476  12.339
  564   1HAA  HEC  71          HP71      HEC  71   4.831  -4.723  10.288
  565   2HAA  HEC  71          HP72      HEC  71   4.588  -5.274  11.947
  566   1HBA  HEC  71          HP73      HEC  71   5.038  -7.562  11.260
  567   2HBA  HEC  71          HP74      HEC  71   5.032  -7.072   9.553
  568   1HMB  HEC  71          HM11      HEC  71  -0.288 -11.080  11.124
  569   2HMB  HEC  71          HM12      HEC  71  -1.805 -10.387  11.741
  570   3HMB  HEC  71          HM13      HEC  71  -1.829 -11.774  10.625
  571    HAB  HEC  71          HT2A      HEC  71  -4.104 -10.386   7.715
  572   1HBB  HEC  71          HT21      HEC  71  -4.649  -9.526   9.919
  573   2HBB  HEC  71          HT22      HEC  71  -5.391 -11.091   9.546
  574   3HBB  HEC  71          HT23      HEC  71  -4.014 -11.013  10.655
  575   1HMC  HEC  71          HM31      HEC  71  -4.672  -7.993   4.167
  576   2HMC  HEC  71          HM32      HEC  71  -3.675  -8.076   2.690
  577   3HMC  HEC  71          HM33      HEC  71  -3.457  -9.274   3.952
  578    HAC  HEC  71          HT4A      HEC  71  -1.844  -4.585   2.523
  579   1HBC  HEC  71          HT41      HEC  71  -4.213  -4.639   3.152
  580   2HBC  HEC  71          HT42      HEC  71  -3.883  -4.588   1.412
  581   3HBC  HEC  71          HT43      HEC  71  -4.420  -6.094   2.156
  582   1HMD  HEC  71          HM51      HEC  71   2.984  -2.483   3.676
  583   2HMD  HEC  71          HM52      HEC  71   1.389  -2.979   3.115
  584   3HMD  HEC  71          HM53      HEC  71   1.545  -1.614   4.214
  585   1HAD  HEC  71          HP61      HEC  71   3.700  -1.636   5.682
  586   2HAD  HEC  71          HP62      HEC  71   3.702  -2.023   7.394
  587   1HBD  HEC  71          HP63      HEC  71   5.191  -3.770   5.429
  588   2HBD  HEC  71          HP64      HEC  71   5.893  -2.254   6.019
  Start of MODEL   34
    1   1H    ALA   1          1H        ALA   1  10.479   3.570  -8.303
    2   2H    ALA   1          2H        ALA   1  12.140   3.487  -8.496
    3   3H    ALA   1          3H        ALA   1  11.150   4.027  -9.716
    4    HA   ALA   1           HA       ALA   1  11.573   1.870 -10.360
    5   1HB   ALA   1          1HB       ALA   1  12.568   1.140  -8.189
    6   2HB   ALA   1          2HB       ALA   1  10.936   1.063  -7.484
    7   3HB   ALA   1          3HB       ALA   1  11.388  -0.021  -8.819
    8    H    ASP   2           H        ASP   2   9.738   0.168 -10.851
    9    HA   ASP   2           HA       ASP   2   7.206   1.585 -10.925
   10   1HB   ASP   2          1HB       ASP   2   6.723  -0.183 -12.586
   11   2HB   ASP   2          2HB       ASP   2   8.250   0.605 -12.952
   12    H    VAL   3           H        VAL   3   8.634  -1.516  -9.892
   13    HA   VAL   3           HA       VAL   3   6.576  -1.798  -7.717
   14    HB   VAL   3           HB       VAL   3   8.160  -3.832  -9.337
   15   1HG1  VAL   3          1HG1      VAL   3   8.295  -4.613  -7.016
   16   2HG1  VAL   3          2HG1      VAL   3   6.540  -4.394  -6.819
   17   3HG1  VAL   3          3HG1      VAL   3   7.170  -5.608  -7.942
   18   1HG2  VAL   3          1HG2      VAL   3   5.170  -3.510  -8.807
   19   2HG2  VAL   3          2HG2      VAL   3   6.003  -3.039 -10.302
   20   3HG2  VAL   3          3HG2      VAL   3   5.923  -4.743  -9.834
   21    H    VAL   4           H        VAL   4   7.525  -2.386  -5.545
   22    HA   VAL   4           HA       VAL   4  10.373  -2.590  -5.351
   23    HB   VAL   4           HB       VAL   4  10.013  -0.063  -5.471
   24   1HG1  VAL   4          1HG1      VAL   4   8.710  -0.490  -2.735
   25   2HG1  VAL   4          2HG1      VAL   4   9.210   1.071  -3.414
   26   3HG1  VAL   4          3HG1      VAL   4   7.934   0.150  -4.219
   27   1HG2  VAL   4          1HG2      VAL   4  11.665   0.460  -3.932
   28   2HG2  VAL   4          2HG2      VAL   4  11.159  -0.754  -2.762
   29   3HG2  VAL   4          3HG2      VAL   4  11.973  -1.253  -4.267
   30    H    THR   5           H        THR   5  10.759  -2.582  -2.667
   31    HA   THR   5           HA       THR   5   8.352  -3.113  -1.236
   32    HB   THR   5           HB       THR   5   8.875  -5.402  -2.411
   33    HG1  THR   5           HG1      THR   5   7.986  -5.182  -0.360
   34   1HG2  THR   5          1HG2      THR   5  11.349  -5.198  -2.558
   35   2HG2  THR   5          2HG2      THR   5  11.458  -5.345  -0.791
   36   3HG2  THR   5          3HG2      THR   5  10.838  -6.692  -1.754
   37    H    TYR   6           H        TYR   6   8.674  -3.744   0.813
   38    HA   TYR   6           HA       TYR   6  11.137  -2.751   2.160
   39   1HB   TYR   6          1HB       TYR   6   8.219  -2.197   2.820
   40   2HB   TYR   6          2HB       TYR   6   9.515  -2.078   4.009
   41    HD1  TYR   6           HD1      TYR   6   8.738  -0.863   0.494
   42    HD2  TYR   6           HD2      TYR   6  10.410   0.048   4.361
   43    HE1  TYR   6           HE1      TYR   6   9.314   1.355  -0.292
   44    HE2  TYR   6           HE2      TYR   6  10.968   2.306   3.547
   45    HH   TYR   6           HH       TYR   6  10.199   3.740   1.743
   46    H    GLU   7           H        GLU   7  12.000  -4.687   2.608
   47    HA   GLU   7           HA       GLU   7  10.600  -6.901   3.765
   48   1HB   GLU   7          1HB       GLU   7  13.555  -6.204   3.833
   49   2HB   GLU   7          2HB       GLU   7  12.824  -7.779   4.146
   50   1HG   GLU   7          1HG       GLU   7  13.436  -8.101   1.960
   51   2HG   GLU   7          2HG       GLU   7  11.829  -7.429   1.667
   52    H    ASN   8           H        ASN   8   9.930  -7.172   5.799
   53    HA   ASN   8           HA       ASN   8  10.953  -5.340   7.944
   54   1HB   ASN   8          1HB       ASN   8   8.146  -6.448   7.834
   55   2HB   ASN   8          2HB       ASN   8   8.767  -5.044   8.722
   56   1HD2  ASN   8          1HD2      ASN   8   7.773  -6.331   5.612
   57   2HD2  ASN   8          2HD2      ASN   8   7.823  -4.820   4.726
   58    H    LYS   9           H        LYS   9   9.123  -6.959   9.810
   59    HA   LYS   9           HA       LYS   9  11.066  -9.159  10.291
   60   1HB   LYS   9          1HB       LYS   9   9.961  -7.256  11.990
   61   2HB   LYS   9          2HB       LYS   9   8.813  -8.556  12.160
   62   1HG   LYS   9          1HG       LYS   9  10.393  -8.941  13.859
   63   2HG   LYS   9          2HG       LYS   9  10.747 -10.125  12.600
   64   1HD   LYS   9          1HD       LYS   9  12.853  -9.262  13.352
   65   2HD   LYS   9          2HD       LYS   9  12.584  -8.561  11.754
   66   1HE   LYS   9          1HE       LYS   9  11.730  -6.445  12.904
   67   2HE   LYS   9          2HE       LYS   9  12.144  -7.187  14.455
   68   1HZ   LYS   9          1HZ       LYS   9  13.842  -5.717  13.660
   69   2HZ   LYS   9          2HZ       LYS   9  14.440  -7.249  13.688
   70   3HZ   LYS   9          3HZ       LYS   9  14.006  -6.554  12.258
   71    H    LYS  10           H        LYS  10   7.633  -8.389  10.044
   72    HA   LYS  10           HA       LYS  10   6.511 -10.962  10.026
   73   1HB   LYS  10          1HB       LYS  10   5.145  -9.041  10.381
   74   2HB   LYS  10          2HB       LYS  10   5.762  -8.254   8.932
   75   1HG   LYS  10          1HG       LYS  10   3.623  -8.696   8.482
   76   2HG   LYS  10          2HG       LYS  10   4.501  -9.860   7.501
   77   1HD   LYS  10          1HD       LYS  10   3.068 -10.409  10.147
   78   2HD   LYS  10          2HD       LYS  10   2.358 -10.655   8.554
   79   1HE   LYS  10          1HE       LYS  10   4.632 -12.234   9.809
   80   2HE   LYS  10          2HE       LYS  10   2.985 -12.778   9.482
   81   1HZ   LYS  10          1HZ       LYS  10   3.597 -12.438   7.004
   82   2HZ   LYS  10          2HZ       LYS  10   5.129 -12.281   7.552
   83   3HZ   LYS  10          3HZ       LYS  10   4.307 -13.646   7.732
   84    H    GLY  11           H        GLY  11   7.507  -8.895   7.177
   85   1HA   GLY  11          1HA       GLY  11   8.396 -11.043   5.600
   86   2HA   GLY  11          2HA       GLY  11   6.673 -10.770   5.232
   87    H    ASN  12           H        ASN  12   7.500 -10.166   3.089
   88    HA   ASN  12           HA       ASN  12   8.788  -7.482   2.906
   89   1HB   ASN  12          1HB       ASN  12   8.424  -9.449   0.638
   90   2HB   ASN  12          2HB       ASN  12   9.541  -8.092   0.757
   91   1HD2  ASN  12          1HD2      ASN  12  10.447  -8.856   3.515
   92   2HD2  ASN  12          2HD2      ASN  12  11.471 -10.261   3.272
   93    H    VAL  13           H        VAL  13   7.463  -5.817   2.372
   94    HA   VAL  13           HA       VAL  13   4.636  -6.399   1.681
   95    HB   VAL  13           HB       VAL  13   6.187  -3.858   2.289
   96   1HG1  VAL  13          1HG1      VAL  13   3.170  -4.136   1.976
   97   2HG1  VAL  13          2HG1      VAL  13   4.126  -2.652   2.256
   98   3HG1  VAL  13          3HG1      VAL  13   4.198  -3.461   0.714
   99   1HG2  VAL  13          1HG2      VAL  13   5.727  -5.505   4.188
  100   2HG2  VAL  13          2HG2      VAL  13   5.068  -3.883   4.410
  101   3HG2  VAL  13          3HG2      VAL  13   4.004  -5.225   3.921
  102    H    THR  14           H        THR  14   4.397  -6.916  -0.570
  103    HA   THR  14           HA       THR  14   6.049  -5.717  -2.596
  104    HB   THR  14           HB       THR  14   3.215  -6.811  -2.833
  105    HG1  THR  14           HG1      THR  14   5.780  -7.998  -3.068
  106   1HG2  THR  14          1HG2      THR  14   3.839  -5.522  -4.846
  107   2HG2  THR  14          2HG2      THR  14   5.403  -6.361  -4.927
  108   3HG2  THR  14          3HG2      THR  14   3.889  -7.252  -5.192
  109    H    PHE  15           H        PHE  15   6.207  -3.518  -2.976
  110    HA   PHE  15           HA       PHE  15   3.753  -1.822  -2.859
  111   1HB   PHE  15          1HB       PHE  15   6.698  -1.359  -3.156
  112   2HB   PHE  15          2HB       PHE  15   5.563  -0.175  -3.790
  113    HD1  PHE  15           HD1      PHE  15   5.545  -2.162  -0.591
  114    HD2  PHE  15           HD2      PHE  15   5.803   1.695  -2.502
  115    HE1  PHE  15           HE1      PHE  15   6.173  -1.139   1.561
  116    HE2  PHE  15           HE2      PHE  15   6.664   2.642  -0.448
  117    HZ   PHE  15           HZ       PHE  15   7.047   1.154   1.527
  118    H    ASP  16           H        ASP  16   2.765  -1.268  -4.632
  119    HA   ASP  16           HA       ASP  16   3.827  -2.022  -7.314
  120   1HB   ASP  16          1HB       ASP  16   1.415  -2.686  -5.796
  121   2HB   ASP  16          2HB       ASP  16   0.935  -1.855  -7.241
  122    H    HIS  17           H        HIS  17   4.976   0.057  -7.242
  123    HA   HIS  17           HA       HIS  17   3.621   2.462  -6.531
  124   1HB   HIS  17          1HB       HIS  17   6.298   1.656  -7.043
  125   2HB   HIS  17          2HB       HIS  17   5.983   2.895  -8.246
  126    HD1  HIS  17           HND      HIS  17   7.640   2.856  -5.209
  127    HD2  HIS  17           HD       HIS  17   4.314   5.002  -6.616
  128    HE1  HIS  17           HE       HIS  17   7.439   4.953  -3.757
  129    H    LYS  18           H        LYS  18   4.890   1.440  -9.676
  130    HA   LYS  18           HA       LYS  18   3.585   3.294 -11.372
  131   1HB   LYS  18          1HB       LYS  18   5.096   2.334 -12.613
  132   2HB   LYS  18          2HB       LYS  18   5.128   0.880 -11.637
  133   1HG   LYS  18          1HG       LYS  18   2.774   1.146 -13.489
  134   2HG   LYS  18          2HG       LYS  18   4.365   0.943 -14.196
  135   1HD   LYS  18          1HD       LYS  18   4.820  -1.103 -13.271
  136   2HD   LYS  18          2HD       LYS  18   3.764  -0.864 -11.903
  137   1HE   LYS  18          1HE       LYS  18   2.994  -2.611 -13.573
  138   2HE   LYS  18          2HE       LYS  18   1.788  -1.399 -13.121
  139   1HZ   LYS  18          1HZ       LYS  18   3.372  -1.163 -15.588
  140   2HZ   LYS  18          2HZ       LYS  18   1.877  -1.864 -15.494
  141   3HZ   LYS  18          3HZ       LYS  18   2.021  -0.308 -15.127
  142    H    ALA  19           H        ALA  19   2.602   0.000 -10.534
  143    HA   ALA  19           HA       ALA  19   0.145  -0.244 -11.775
  144   1HB   ALA  19          1HB       ALA  19  -0.425  -1.652  -9.716
  145   2HB   ALA  19          2HB       ALA  19   1.075  -2.062 -10.601
  146   3HB   ALA  19          3HB       ALA  19   1.157  -1.080  -9.125
  147    H    HIS  20           H        HIS  20   0.486   0.994  -8.333
  148    HA   HIS  20           HA       HIS  20  -2.286   1.739  -8.291
  149   1HB   HIS  20          1HB       HIS  20   0.014   2.714  -6.573
  150   2HB   HIS  20          2HB       HIS  20  -1.691   3.115  -6.316
  151    HD1  HIS  20           HND      HIS  20   0.725   0.204  -5.935
  152    HD2  HIS  20           HD       HIS  20  -3.251   1.272  -5.140
  153    HE1  HIS  20           HE       HIS  20  -0.171  -1.501  -4.256
  154    H    ALA  21           H        ALA  21   0.674   3.357  -9.384
  155    HA   ALA  21           HA       ALA  21  -0.493   5.977  -9.550
  156   1HB   ALA  21          1HB       ALA  21   1.928   5.604  -9.524
  157   2HB   ALA  21          2HB       ALA  21   1.849   4.905 -11.151
  158   3HB   ALA  21          3HB       ALA  21   1.404   6.598 -10.901
  159    H    GLU  22           H        GLU  22  -0.472   3.259 -11.831
  160    HA   GLU  22           HA       GLU  22  -1.664   4.877 -13.992
  161   1HB   GLU  22          1HB       GLU  22  -1.748   2.824 -15.304
  162   2HB   GLU  22          2HB       GLU  22  -0.124   3.168 -14.692
  163   1HG   GLU  22          1HG       GLU  22  -0.382   1.504 -12.956
  164   2HG   GLU  22          2HG       GLU  22  -2.047   1.160 -13.451
  165    H    LYS  23           H        LYS  23  -2.731   2.360 -11.676
  166    HA   LYS  23           HA       LYS  23  -5.419   2.262 -12.667
  167   1HB   LYS  23          1HB       LYS  23  -4.266   1.511  -9.951
  168   2HB   LYS  23          2HB       LYS  23  -5.871   1.062 -10.538
  169   1HG   LYS  23          1HG       LYS  23  -3.219   0.180 -11.798
  170   2HG   LYS  23          2HG       LYS  23  -4.235  -0.765 -10.719
  171   1HD   LYS  23          1HD       LYS  23  -6.056  -0.678 -12.321
  172   2HD   LYS  23          2HD       LYS  23  -5.091   0.241 -13.484
  173   1HE   LYS  23          1HE       LYS  23  -3.986  -2.375 -12.406
  174   2HE   LYS  23          2HE       LYS  23  -5.313  -2.439 -13.558
  175   1HZ   LYS  23          1HZ       LYS  23  -3.982  -1.212 -15.124
  176   2HZ   LYS  23          2HZ       LYS  23  -2.694  -1.122 -14.132
  177   3HZ   LYS  23          3HZ       LYS  23  -3.206  -2.570 -14.643
  178    H    LEU  24           H        LEU  24  -4.005   4.024  -9.806
  179    HA   LEU  24           HA       LEU  24  -6.541   5.508  -9.524
  180   1HB   LEU  24          1HB       LEU  24  -3.939   5.667  -7.949
  181   2HB   LEU  24          2HB       LEU  24  -5.448   6.511  -7.643
  182    HG   LEU  24           HG       LEU  24  -4.890   4.615  -6.182
  183   1HD1  LEU  24          1HD1      LEU  24  -7.138   5.524  -6.273
  184   2HD1  LEU  24          2HD1      LEU  24  -7.549   4.484  -7.661
  185   3HD1  LEU  24          3HD1      LEU  24  -7.238   3.762  -6.072
  186   1HD2  LEU  24          1HD2      LEU  24  -5.749   2.700  -8.338
  187   2HD2  LEU  24          2HD2      LEU  24  -4.074   2.973  -7.775
  188   3HD2  LEU  24          3HD2      LEU  24  -5.285   2.353  -6.663
  189    H    GLY  25           H        GLY  25  -3.010   6.385  -9.786
  190   1HA   GLY  25          1HA       GLY  25  -2.916   8.349 -11.605
  191   2HA   GLY  25          2HA       GLY  25  -3.814   9.165 -10.315
  192    H    CYS  26           H        CYS  26  -2.873   9.253  -8.183
  193    HA   CYS  26           HA       CYS  26  -0.193   8.660  -7.478
  194   1HB   CYS  26          1HB       CYS  26   0.092  10.453  -9.509
  195   2HB   CYS  26          2HB       CYS  26  -0.311  11.584  -8.244
  196    H    ASP  27           H        ASP  27  -2.587  11.064  -7.551
  197    HA   ASP  27           HA       ASP  27  -2.779  12.569  -5.257
  198   1HB   ASP  27          1HB       ASP  27  -5.187  12.472  -5.840
  199   2HB   ASP  27          2HB       ASP  27  -4.175  12.794  -7.250
  200    H    ALA  28           H        ALA  28  -3.907   9.345  -5.977
  201    HA   ALA  28           HA       ALA  28  -5.275   8.399  -3.909
  202   1HB   ALA  28          1HB       ALA  28  -4.531   7.122  -5.840
  203   2HB   ALA  28          2HB       ALA  28  -2.882   7.027  -5.212
  204   3HB   ALA  28          3HB       ALA  28  -4.205   6.189  -4.360
  205    H    CYS  29           H        CYS  29  -1.742   8.774  -3.864
  206    HA   CYS  29           HA       CYS  29  -1.709   8.221  -0.906
  207   1HB   CYS  29          1HB       CYS  29   0.410   7.535  -2.916
  208   2HB   CYS  29          2HB       CYS  29   0.390   7.145  -1.186
  209    H    HIS  30           H        HIS  30  -0.376  10.178  -3.620
  210    HA   HIS  30           HA       HIS  30   1.002  11.911  -1.588
  211   1HB   HIS  30          1HB       HIS  30   1.769  11.420  -4.472
  212   2HB   HIS  30          2HB       HIS  30   2.616  12.435  -3.318
  213    HD1  HIS  30           HND      HIS  30   3.882  10.956  -1.255
  214    HD2  HIS  30           HD       HIS  30   2.661   9.074  -4.779
  215    HE1  HIS  30           HE       HIS  30   5.373   8.856  -1.575
  216    H    GLU  31           H        GLU  31  -0.113  13.796  -1.432
  217    HA   GLU  31           HA       GLU  31  -1.803  14.808  -3.575
  218   1HB   GLU  31          1HB       GLU  31  -0.905  15.998  -0.900
  219   2HB   GLU  31          2HB       GLU  31  -2.111  16.720  -2.003
  220   1HG   GLU  31          1HG       GLU  31  -3.483  14.708  -1.785
  221   2HG   GLU  31          2HG       GLU  31  -2.329  14.045  -0.607
  222    H    GLY  32           H        GLY  32  -0.153  17.333  -2.160
  223   1HA   GLY  32          1HA       GLY  32   0.463  18.647  -4.447
  224   2HA   GLY  32          2HA       GLY  32   1.294  18.956  -2.917
  225    H    THR  33           H        THR  33   2.789  16.508  -2.697
  226    HA   THR  33           HA       THR  33   4.244  16.071  -5.118
  227    HB   THR  33           HB       THR  33   5.194  18.259  -4.513
  228    HG1  THR  33           HG1      THR  33   7.373  17.564  -4.449
  229   1HG2  THR  33          1HG2      THR  33   4.872  18.157  -2.032
  230   2HG2  THR  33          2HG2      THR  33   6.173  16.951  -1.934
  231   3HG2  THR  33          3HG2      THR  33   6.523  18.594  -2.498
  232    HA   PRO  34           HA       PRO  34   5.084  12.507  -2.415
  233   1HB   PRO  34          1HB       PRO  34   7.230  11.455  -3.923
  234   2HB   PRO  34          2HB       PRO  34   5.530  10.953  -4.009
  235   1HG   PRO  34          1HG       PRO  34   6.972  12.315  -6.038
  236   2HG   PRO  34          2HG       PRO  34   5.200  11.988  -5.927
  237   1HD   PRO  34          1HD       PRO  34   6.711  14.493  -5.353
  238   2HD   PRO  34          2HD       PRO  34   5.035  14.259  -5.932
  239    H    ALA  35           H        ALA  35   6.535  12.166  -0.707
  240    HA   ALA  35           HA       ALA  35   9.360  12.711  -0.977
  241   1HB   ALA  35          1HB       ALA  35   7.689  14.487   0.849
  242   2HB   ALA  35          2HB       ALA  35   9.472  14.422   0.811
  243   3HB   ALA  35          3HB       ALA  35   8.569  15.004  -0.605
  244    H    LYS  36           H        LYS  36   8.207  10.432  -0.686
  245    HA   LYS  36           HA       LYS  36   7.872   8.548   0.492
  246   1HB   LYS  36          1HB       LYS  36   9.134   9.905   2.924
  247   2HB   LYS  36          2HB       LYS  36   8.692   8.225   2.719
  248   1HG   LYS  36          1HG       LYS  36  10.263   8.284   0.615
  249   2HG   LYS  36          2HG       LYS  36  10.883   9.791   1.277
  250   1HD   LYS  36          1HD       LYS  36  12.281   7.864   1.851
  251   2HD   LYS  36          2HD       LYS  36  11.596   8.566   3.338
  252   1HE   LYS  36          1HE       LYS  36   9.961   6.795   3.535
  253   2HE   LYS  36          2HE       LYS  36  10.176   6.333   1.834
  254   1HZ   LYS  36          1HZ       LYS  36  12.064   5.816   4.011
  255   2HZ   LYS  36          2HZ       LYS  36  10.932   4.823   3.323
  256   3HZ   LYS  36          3HZ       LYS  36  12.220   5.336   2.410
  257    H    ILE  37           H        ILE  37   6.529   7.601   2.295
  258    HA   ILE  37           HA       ILE  37   5.031   9.650   3.778
  259    HB   ILE  37           HB       ILE  37   2.946   7.852   3.285
  260   1HG1  ILE  37          1HG1      ILE  37   4.186   8.622   0.616
  261   2HG1  ILE  37          2HG1      ILE  37   4.231   7.021   1.348
  262   1HG2  ILE  37          1HG2      ILE  37   3.388  10.586   2.030
  263   2HG2  ILE  37          2HG2      ILE  37   1.834   9.791   2.347
  264   3HG2  ILE  37          3HG2      ILE  37   2.842  10.303   3.696
  265   1HD1  ILE  37          1HD1      ILE  37   1.734   6.962   1.334
  266   2HD1  ILE  37          2HD1      ILE  37   1.737   8.537   0.502
  267   3HD1  ILE  37          3HD1      ILE  37   2.458   7.132  -0.281
  268    H    ALA  38           H        ALA  38   6.473   6.528   4.008
  269    HA   ALA  38           HA       ALA  38   7.258   5.717   5.929
  270   1HB   ALA  38          1HB       ALA  38   5.582   7.633   7.549
  271   2HB   ALA  38          2HB       ALA  38   6.972   6.653   8.051
  272   3HB   ALA  38          3HB       ALA  38   7.194   7.960   6.858
  273    H    ILE  39           H        ILE  39   5.929   4.211   4.641
  274    HA   ILE  39           HA       ILE  39   3.459   3.276   5.919
  275    HB   ILE  39           HB       ILE  39   5.190   2.105   3.753
  276   1HG1  ILE  39          1HG1      ILE  39   4.037   4.200   3.301
  277   2HG1  ILE  39          2HG1      ILE  39   3.410   2.842   2.374
  278   1HG2  ILE  39          1HG2      ILE  39   2.563   1.091   4.899
  279   2HG2  ILE  39          2HG2      ILE  39   3.196   0.634   3.299
  280   3HG2  ILE  39          3HG2      ILE  39   4.102   0.221   4.754
  281   1HD1  ILE  39          1HD1      ILE  39   1.561   4.237   2.969
  282   2HD1  ILE  39          2HD1      ILE  39   1.413   2.766   3.937
  283   3HD1  ILE  39          3HD1      ILE  39   2.014   4.272   4.670
  284    H    ASP  40           H        ASP  40   3.736   2.942   7.872
  285    HA   ASP  40           HA       ASP  40   5.310   0.570   8.826
  286   1HB   ASP  40          1HB       ASP  40   3.998   2.642  10.566
  287   2HB   ASP  40          2HB       ASP  40   5.238   1.469  11.039
  288    H    LYS  41           H        LYS  41   3.988  -0.849  10.196
  289    HA   LYS  41           HA       LYS  41   1.472  -1.512   9.457
  290   1HB   LYS  41          1HB       LYS  41   2.818  -2.874  10.768
  291   2HB   LYS  41          2HB       LYS  41   2.807  -1.795  12.153
  292   1HG   LYS  41          1HG       LYS  41   0.146  -2.806  11.203
  293   2HG   LYS  41          2HG       LYS  41   1.226  -4.050  11.796
  294   1HD   LYS  41          1HD       LYS  41   0.649  -1.527  13.394
  295   2HD   LYS  41          2HD       LYS  41  -0.349  -2.985  13.519
  296   1HE   LYS  41          1HE       LYS  41   1.460  -4.332  14.324
  297   2HE   LYS  41          2HE       LYS  41   2.680  -3.129  13.911
  298   1HZ   LYS  41          1HZ       LYS  41   2.237  -3.149  16.236
  299   2HZ   LYS  41          2HZ       LYS  41   1.811  -1.698  15.600
  300   3HZ   LYS  41          3HZ       LYS  41   0.646  -2.792  16.007
  301    H    LYS  42           H        LYS  42   2.231   0.784  12.046
  302    HA   LYS  42           HA       LYS  42  -0.354   1.415  12.954
  303   1HB   LYS  42          1HB       LYS  42   0.587   3.659  13.542
  304   2HB   LYS  42          2HB       LYS  42   1.474   2.272  14.187
  305   1HG   LYS  42          1HG       LYS  42   3.259   2.526  12.654
  306   2HG   LYS  42          2HG       LYS  42   2.343   3.648  11.623
  307   1HD   LYS  42          1HD       LYS  42   2.588   4.618  14.390
  308   2HD   LYS  42          2HD       LYS  42   4.170   4.305  13.683
  309   1HE   LYS  42          1HE       LYS  42   2.040   5.910  12.197
  310   2HE   LYS  42          2HE       LYS  42   3.129   6.668  13.365
  311   1HZ   LYS  42          1HZ       LYS  42   4.221   5.139  11.062
  312   2HZ   LYS  42          2HZ       LYS  42   3.904   6.746  11.008
  313   3HZ   LYS  42          3HZ       LYS  42   4.993   6.093  12.045
  314    H    SER  43           H        SER  43   1.201   2.437   9.926
  315    HA   SER  43           HA       SER  43  -1.003   4.284   9.273
  316   1HB   SER  43          1HB       SER  43   1.338   3.437   7.509
  317   2HB   SER  43          2HB       SER  43   0.324   4.872   7.401
  318    HG   SER  43           HG       SER  43   2.487   5.128   8.358
  319    H    ALA  44           H        ALA  44   0.654   1.510   7.830
  320    HA   ALA  44           HA       ALA  44  -0.850   0.847   5.690
  321   1HB   ALA  44          1HB       ALA  44   0.154  -1.316   5.817
  322   2HB   ALA  44          2HB       ALA  44   1.335  -0.093   6.380
  323   3HB   ALA  44          3HB       ALA  44   0.503  -1.129   7.540
  324    H    HIS  45           H        HIS  45  -1.233  -0.623   8.924
  325    HA   HIS  45           HA       HIS  45  -3.485  -2.259   8.006
  326   1HB   HIS  45          1HB       HIS  45  -1.834  -2.057  10.523
  327   2HB   HIS  45          2HB       HIS  45  -3.402  -2.828  10.563
  328    HD1  HIS  45           HND      HIS  45  -3.677  -5.162   9.728
  329    HD2  HIS  45           HD       HIS  45  -0.021  -3.406   8.592
  330    HE1  HIS  45           HE       HIS  45  -2.311  -6.975   8.643
  331    H    LYS  46           H        LYS  46  -3.170   0.929   9.255
  332    HA   LYS  46           HA       LYS  46  -5.834   0.829  10.566
  333   1HB   LYS  46          1HB       LYS  46  -3.960   1.903  11.723
  334   2HB   LYS  46          2HB       LYS  46  -3.774   3.057  10.406
  335   1HG   LYS  46          1HG       LYS  46  -6.531   2.818  11.577
  336   2HG   LYS  46          2HG       LYS  46  -5.306   3.419  12.696
  337   1HD   LYS  46          1HD       LYS  46  -5.774   4.586   9.941
  338   2HD   LYS  46          2HD       LYS  46  -6.621   5.155  11.368
  339   1HE   LYS  46          1HE       LYS  46  -4.483   5.801  12.429
  340   2HE   LYS  46          2HE       LYS  46  -3.563   5.155  11.063
  341   1HZ   LYS  46          1HZ       LYS  46  -3.834   7.510  10.882
  342   2HZ   LYS  46          2HZ       LYS  46  -4.625   6.764   9.646
  343   3HZ   LYS  46          3HZ       LYS  46  -5.477   7.381  10.908
  344    H    ASP  47           H        ASP  47  -4.158   3.083   8.276
  345    HA   ASP  47           HA       ASP  47  -6.299   2.912   6.365
  346   1HB   ASP  47          1HB       ASP  47  -6.075   5.486   7.960
  347   2HB   ASP  47          2HB       ASP  47  -6.845   5.313   6.401
  348    H    ALA  48           H        ALA  48  -4.203   2.099   5.624
  349    HA   ALA  48           HA       ALA  48  -3.704   4.102   3.585
  350   1HB   ALA  48          1HB       ALA  48  -1.667   4.512   4.747
  351   2HB   ALA  48          2HB       ALA  48  -1.345   2.802   5.013
  352   3HB   ALA  48          3HB       ALA  48  -1.254   3.477   3.369
  353    H    CYS  49           H        CYS  49  -2.064   0.981   4.088
  354    HA   CYS  49           HA       CYS  49  -2.987   0.070   1.534
  355   1HB   CYS  49          1HB       CYS  49  -1.833  -1.641   3.700
  356   2HB   CYS  49          2HB       CYS  49  -1.741  -1.894   1.961
  357    H    LYS  50           H        LYS  50  -3.756  -1.098   4.845
  358    HA   LYS  50           HA       LYS  50  -5.673  -2.982   3.715
  359   1HB   LYS  50          1HB       LYS  50  -3.940  -2.967   5.845
  360   2HB   LYS  50          2HB       LYS  50  -5.458  -2.696   6.687
  361   1HG   LYS  50          1HG       LYS  50  -4.968  -4.952   4.669
  362   2HG   LYS  50          2HG       LYS  50  -4.547  -5.071   6.376
  363   1HD   LYS  50          1HD       LYS  50  -6.869  -4.739   7.044
  364   2HD   LYS  50          2HD       LYS  50  -7.370  -4.548   5.348
  365   1HE   LYS  50          1HE       LYS  50  -6.675  -6.836   4.811
  366   2HE   LYS  50          2HE       LYS  50  -5.931  -7.046   6.403
  367   1HZ   LYS  50          1HZ       LYS  50  -8.099  -6.919   7.390
  368   2HZ   LYS  50          2HZ       LYS  50  -8.814  -6.727   5.915
  369   3HZ   LYS  50          3HZ       LYS  50  -8.025  -8.125   6.278
  370    H    THR  51           H        THR  51  -6.450  -0.399   3.103
  371    HA   THR  51           HA       THR  51  -9.048  -0.362   4.370
  372    HB   THR  51           HB       THR  51  -7.329   1.290   5.524
  373    HG1  THR  51           HG1      THR  51  -9.184   2.318   6.303
  374   1HG2  THR  51          1HG2      THR  51  -8.826   3.023   3.486
  375   2HG2  THR  51          2HG2      THR  51  -7.864   3.620   4.829
  376   3HG2  THR  51          3HG2      THR  51  -7.066   2.747   3.516
  377    H    CYS  52           H        CYS  52  -7.101   1.123   1.771
  378    HA   CYS  52           HA       CYS  52  -9.347   1.649   0.089
  379   1HB   CYS  52          1HB       CYS  52  -6.453   0.958  -0.303
  380   2HB   CYS  52          2HB       CYS  52  -7.559   0.823  -1.667
  381    H    HIS  53           H        HIS  53  -7.411  -1.369   0.541
  382    HA   HIS  53           HA       HIS  53  -8.969  -2.697  -1.456
  383   1HB   HIS  53          1HB       HIS  53  -7.295  -4.113   0.593
  384   2HB   HIS  53          2HB       HIS  53  -7.695  -4.620  -1.042
  385    HD1  HIS  53           HND      HIS  53  -4.858  -4.805   0.022
  386    HD2  HIS  53           HD       HIS  53  -6.314  -1.581  -2.278
  387    HE1  HIS  53           HE       HIS  53  -2.879  -3.730  -1.135
  388    H    LYS  54           H        LYS  54 -10.940  -1.822   0.283
  389    HA   LYS  54           HA       LYS  54 -12.055  -4.431   1.301
  390   1HB   LYS  54          1HB       LYS  54 -12.633  -1.598   2.271
  391   2HB   LYS  54          2HB       LYS  54 -13.670  -2.981   2.573
  392   1HG   LYS  54          1HG       LYS  54 -12.675  -3.337   4.439
  393   2HG   LYS  54          2HG       LYS  54 -11.311  -3.989   3.528
  394   1HD   LYS  54          1HD       LYS  54 -10.027  -2.138   3.861
  395   2HD   LYS  54          2HD       LYS  54 -11.402  -1.009   3.993
  396   1HE   LYS  54          1HE       LYS  54 -11.976  -1.809   6.218
  397   2HE   LYS  54          2HE       LYS  54 -10.658  -2.992   6.180
  398   1HZ   LYS  54          1HZ       LYS  54 -10.168  -0.945   7.448
  399   2HZ   LYS  54          2HZ       LYS  54  -9.085  -1.255   6.262
  400   3HZ   LYS  54          3HZ       LYS  54 -10.165  -0.045   6.078
  401    H    SER  55           H        SER  55 -11.988  -4.071  -1.373
  402    HA   SER  55           HA       SER  55 -14.749  -4.098  -2.061
  403   1HB   SER  55          1HB       SER  55 -14.646  -1.631  -1.900
  404   2HB   SER  55          2HB       SER  55 -13.245  -1.597  -2.977
  405    HG   SER  55           HG       SER  55 -15.855  -2.529  -3.620
  406    H    ASN  56           H        ASN  56 -11.632  -3.142  -3.535
  407    HA   ASN  56           HA       ASN  56 -12.052  -4.169  -6.060
  408   1HB   ASN  56          1HB       ASN  56  -9.598  -4.162  -6.332
  409   2HB   ASN  56          2HB       ASN  56 -10.255  -2.674  -5.643
  410   1HD2  ASN  56          1HD2      ASN  56  -7.695  -2.835  -5.369
  411   2HD2  ASN  56          2HD2      ASN  56  -7.195  -3.200  -3.737
  412    H    ASN  57           H        ASN  57 -10.534  -5.938  -3.338
  413    HA   ASN  57           HA       ASN  57 -11.177  -8.486  -4.757
  414   1HB   ASN  57          1HB       ASN  57  -8.733  -7.898  -4.951
  415   2HB   ASN  57          2HB       ASN  57  -8.632  -7.921  -3.180
  416   1HD2  ASN  57          1HD2      ASN  57  -6.898  -9.599  -3.922
  417   2HD2  ASN  57          2HD2      ASN  57  -7.471 -11.252  -4.053
  418    H    GLY  58           H        GLY  58 -11.466 -10.281  -3.281
  419   1HA   GLY  58          1HA       GLY  58 -13.048  -9.526  -0.965
  420   2HA   GLY  58          2HA       GLY  58 -12.680 -11.168  -1.515
  421    HA   PRO  59           HA       PRO  59  -9.426  -9.706   1.731
  422   1HB   PRO  59          1HB       PRO  59 -10.598  -9.826   4.207
  423   2HB   PRO  59          2HB       PRO  59 -10.568  -8.350   3.194
  424   1HG   PRO  59          1HG       PRO  59 -12.812 -10.365   3.442
  425   2HG   PRO  59          2HG       PRO  59 -12.923  -8.583   3.546
  426   1HD   PRO  59          1HD       PRO  59 -13.474  -9.948   1.251
  427   2HD   PRO  59          2HD       PRO  59 -12.662  -8.353   1.195
  428    H    THR  60           H        THR  60  -8.317 -11.210   3.074
  429    HA   THR  60           HA       THR  60  -9.224 -14.008   3.078
  430    HB   THR  60           HB       THR  60  -8.040 -12.666   0.799
  431    HG1  THR  60           HG1      THR  60  -9.725 -14.110   0.834
  432   1HG2  THR  60          1HG2      THR  60  -5.819 -13.283   1.541
  433   2HG2  THR  60          2HG2      THR  60  -6.309 -15.001   1.604
  434   3HG2  THR  60          3HG2      THR  60  -6.329 -14.111   0.071
  435    H    LYS  61           H        LYS  61  -8.708 -12.411   5.154
  436    HA   LYS  61           HA       LYS  61  -7.466 -11.851   6.900
  437   1HB   LYS  61          1HB       LYS  61  -5.837 -14.393   6.480
  438   2HB   LYS  61          2HB       LYS  61  -6.016 -13.409   7.933
  439   1HG   LYS  61          1HG       LYS  61  -8.652 -13.944   7.425
  440   2HG   LYS  61          2HG       LYS  61  -7.903 -15.354   6.651
  441   1HD   LYS  61          1HD       LYS  61  -6.572 -15.623   8.872
  442   2HD   LYS  61          2HD       LYS  61  -7.591 -14.320   9.494
  443   1HE   LYS  61          1HE       LYS  61  -8.560 -16.340  10.300
  444   2HE   LYS  61          2HE       LYS  61  -9.634 -15.741   9.032
  445   1HZ   LYS  61          1HZ       LYS  61  -7.619 -17.883   8.738
  446   2HZ   LYS  61          2HZ       LYS  61  -9.242 -18.100   8.856
  447   3HZ   LYS  61          3HZ       LYS  61  -8.610 -17.352   7.536
  448    H    CYS  62           H        CYS  62  -4.854 -13.330   4.967
  449    HA   CYS  62           HA       CYS  62  -3.434 -10.745   4.970
  450   1HB   CYS  62          1HB       CYS  62  -2.060 -13.378   5.532
  451   2HB   CYS  62          2HB       CYS  62  -1.426 -11.737   5.780
  452    H    GLY  63           H        GLY  63  -1.044 -12.185   3.814
  453   1HA   GLY  63          1HA       GLY  63  -0.333 -13.236   1.897
  454   2HA   GLY  63          2HA       GLY  63  -2.010 -13.492   1.399
  455    H    GLY  64           H        GLY  64  -3.015 -10.992   1.278
  456   1HA   GLY  64          1HA       GLY  64  -2.729  -9.991  -1.151
  457   2HA   GLY  64          2HA       GLY  64  -3.030  -8.935   0.241
  458    H    CYS  65           H        CYS  65  -0.561  -8.964   1.484
  459    HA   CYS  65           HA       CYS  65   1.017  -7.281  -0.435
  460   1HB   CYS  65          1HB       CYS  65   0.541  -6.789   2.474
  461   2HB   CYS  65          2HB       CYS  65   1.180  -5.651   1.281
  462    H    HIS  66           H        HIS  66   1.204  -9.161   2.618
  463    HA   HIS  66           HA       HIS  66   4.135  -9.237   2.559
  464   1HB   HIS  66          1HB       HIS  66   2.205 -10.788   4.316
  465   2HB   HIS  66          2HB       HIS  66   3.932 -10.668   4.512
  466    HD1  HIS  66           HND      HIS  66   4.803  -7.980   5.101
  467    HD2  HIS  66           HD       HIS  66   0.769  -9.057   5.654
  468    HE1  HIS  66           HE       HIS  66   3.770  -6.316   6.738
  469    H    ILE  67           H        ILE  67   5.193 -10.788   1.344
  470    HA   ILE  67           HA       ILE  67   3.673 -13.221   0.520
  471    HB   ILE  67           HB       ILE  67   6.524 -12.765  -0.333
  472   1HG1  ILE  67          1HG1      ILE  67   5.312 -11.746  -2.452
  473   2HG1  ILE  67          2HG1      ILE  67   4.068 -11.270  -1.296
  474   1HG2  ILE  67          1HG2      ILE  67   4.071 -13.989  -1.657
  475   2HG2  ILE  67          2HG2      ILE  67   5.752 -14.070  -2.234
  476   3HG2  ILE  67          3HG2      ILE  67   5.280 -14.909  -0.746
  477   1HD1  ILE  67          1HD1      ILE  67   5.371  -9.448  -0.882
  478   2HD1  ILE  67          2HD1      ILE  67   6.545 -10.520  -0.100
  479   3HD1  ILE  67          3HD1      ILE  67   6.723 -10.132  -1.812
  480    H    LYS  68           H        LYS  68   3.921 -13.125   3.224
  481    HA   LYS  68           HA       LYS  68   5.146 -15.489   3.989
  482   1HB   LYS  68          1HB       LYS  68   7.185 -13.532   3.706
  483   2HB   LYS  68          2HB       LYS  68   6.684 -13.331   5.370
  484   1HG   LYS  68          1HG       LYS  68   8.449 -14.864   5.413
  485   2HG   LYS  68          2HG       LYS  68   6.977 -15.821   5.691
  486   1HD   LYS  68          1HD       LYS  68   7.021 -16.583   3.312
  487   2HD   LYS  68          2HD       LYS  68   8.299 -15.435   2.947
  488   1HE   LYS  68          1HE       LYS  68   9.245 -17.663   3.106
  489   2HE   LYS  68          2HE       LYS  68   9.891 -16.628   4.385
  490   1HZ   LYS  68          1HZ       LYS  68   9.302 -18.791   5.209
  491   2HZ   LYS  68          2HZ       LYS  68   8.336 -17.659   5.908
  492   3HZ   LYS  68          3HZ       LYS  68   7.743 -18.623   4.713
  493    HHA  HEC  69           HCM      HEC  69   8.465   7.216  -1.157
  494    HHB  HEC  69           HDM      HEC  69   7.232   9.964  -6.750
  495    HHC  HEC  69           HAM      HEC  69   1.579   6.928  -7.018
  496    HHD  HEC  69           HBM      HEC  69   2.796   4.594  -1.148
  497   1HMA  HEC  69          HM81      HEC  69   9.589   9.846  -6.461
  498   2HMA  HEC  69          HM82      HEC  69   9.195  11.199  -5.369
  499   3HMA  HEC  69          HM83      HEC  69  10.569  10.130  -5.023
  500   1HAA  HEC  69          HP71      HEC  69  10.453  10.052  -2.726
  501   2HAA  HEC  69          HP72      HEC  69   9.826   8.993  -1.484
  502   1HBA  HEC  69          HP73      HEC  69  10.919   7.053  -2.593
  503   2HBA  HEC  69          HP74      HEC  69  11.596   8.155  -3.802
  504   1HMB  HEC  69          HM11      HEC  69   4.565  11.067  -8.803
  505   2HMB  HEC  69          HM12      HEC  69   6.248  10.730  -8.449
  506   3HMB  HEC  69          HM13      HEC  69   5.445   9.823  -9.731
  507    HAB  HEC  69          HT2A      HEC  69   1.654   8.247  -8.646
  508   1HBB  HEC  69          HT21      HEC  69   1.736   9.266 -10.706
  509   2HBB  HEC  69          HT22      HEC  69   3.185  10.198 -10.347
  510   3HBB  HEC  69          HT23      HEC  69   3.286   8.432 -10.564
  511   1HMC  HEC  69          HM31      HEC  69  -0.977   5.016  -5.055
  512   2HMC  HEC  69          HM32      HEC  69  -0.538   6.595  -5.687
  513   3HMC  HEC  69          HM33      HEC  69  -0.016   5.126  -6.534
  514    HAC  HEC  69          HT4A      HEC  69   0.690   4.483  -1.538
  515   1HBC  HEC  69          HT41      HEC  69  -0.718   3.161  -3.888
  516   2HBC  HEC  69          HT42      HEC  69   0.617   2.461  -2.965
  517   3HBC  HEC  69          HT43      HEC  69  -0.930   2.804  -2.174
  518   1HMD  HEC  69          HM51      HEC  69   3.478   4.863   0.866
  519   2HMD  HEC  69          HM52      HEC  69   4.588   3.472   0.705
  520   3HMD  HEC  69          HM53      HEC  69   5.038   4.924   1.672
  521   1HAD  HEC  69          HP61      HEC  69   8.567   5.449   0.109
  522   2HAD  HEC  69          HP62      HEC  69   7.556   6.264   1.287
  523   1HBD  HEC  69          HP63      HEC  69   6.658   3.648   1.549
  524   2HBD  HEC  69          HP64      HEC  69   8.262   3.417   0.936
  525    HHA  HEC  70           HCM      HEC  70  -3.861  -4.407  -6.437
  526    HHB  HEC  70           HDM      HEC  70   0.378  -3.917  -1.614
  527    HHC  HEC  70           HAM      HEC  70  -2.235   1.668  -0.034
  528    HHD  HEC  70           HBM      HEC  70  -6.650   0.954  -4.524
  529   1HMA  HEC  70          HM81      HEC  70   0.297  -6.236  -2.533
  530   2HMA  HEC  70          HM82      HEC  70   0.255  -6.777  -4.221
  531   3HMA  HEC  70          HM83      HEC  70   1.218  -5.359  -3.786
  532   1HAA  HEC  70          HP71      HEC  70  -1.845  -7.255  -5.012
  533   2HAA  HEC  70          HP72      HEC  70  -3.129  -6.458  -5.887
  534   1HBA  HEC  70          HP73      HEC  70  -1.494  -5.605  -7.533
  535   2HBA  HEC  70          HP74      HEC  70  -0.187  -6.408  -6.644
  536   1HMB  HEC  70          HM11      HEC  70   0.929  -3.313   0.646
  537   2HMB  HEC  70          HM12      HEC  70   2.038  -2.398  -0.403
  538   3HMB  HEC  70          HM13      HEC  70   1.596  -1.774   1.198
  539    HAB  HEC  70          HT2A      HEC  70  -0.711   1.355   1.273
  540   1HBB  HEC  70          HT21      HEC  70   1.344   1.632  -0.037
  541   2HBB  HEC  70          HT22      HEC  70   1.541   1.844   1.707
  542   3HBB  HEC  70          HT23      HEC  70   2.124   0.366   0.925
  543   1HMC  HEC  70          HM31      HEC  70  -4.840   4.248  -0.775
  544   2HMC  HEC  70          HM32      HEC  70  -4.005   3.200   0.362
  545   3HMC  HEC  70          HM33      HEC  70  -3.101   3.981  -0.958
  546    HAC  HEC  70          HT4A      HEC  70  -7.276   2.490  -3.248
  547   1HBC  HEC  70          HT41      HEC  70  -5.671   4.990  -2.687
  548   2HBC  HEC  70          HT42      HEC  70  -5.890   4.166  -4.248
  549   3HBC  HEC  70          HT43      HEC  70  -7.291   4.854  -3.408
  550   1HMD  HEC  70          HM51      HEC  70  -8.202  -0.478  -6.153
  551   2HMD  HEC  70          HM52      HEC  70  -7.017   0.706  -6.737
  552   3HMD  HEC  70          HM53      HEC  70  -7.419  -0.700  -7.739
  553   1HAD  HEC  70          HP61      HEC  70  -5.960  -4.254  -7.345
  554   2HAD  HEC  70          HP62      HEC  70  -7.231  -3.078  -7.606
  555   1HBD  HEC  70          HP63      HEC  70  -5.646  -1.777  -9.071
  556   2HBD  HEC  70          HP64      HEC  70  -4.519  -3.140  -8.952
  557    HHA  HEC  71           HCM      HEC  71   3.910  -3.966   9.230
  558    HHB  HEC  71           HDM      HEC  71   0.899  -9.293  11.026
  559    HHC  HEC  71           HAM      HEC  71  -2.592  -9.050   5.694
  560    HHD  HEC  71           HBM      HEC  71   0.536  -3.886   3.807
  561   1HMA  HEC  71          HM81      HEC  71   4.019  -8.001  12.630
  562   2HMA  HEC  71          HM82      HEC  71   2.394  -7.618  13.235
  563   3HMA  HEC  71          HM83      HEC  71   2.693  -9.090  12.282
  564   1HAA  HEC  71          HP71      HEC  71   4.034  -4.320  11.714
  565   2HAA  HEC  71          HP72      HEC  71   4.437  -5.774  12.586
  566   1HBA  HEC  71          HP73      HEC  71   5.693  -5.079   9.910
  567   2HBA  HEC  71          HP74      HEC  71   6.299  -4.467  11.457
  568   1HMB  HEC  71          HM11      HEC  71   0.139 -11.474  10.458
  569   2HMB  HEC  71          HM12      HEC  71  -1.335 -10.780  11.179
  570   3HMB  HEC  71          HM13      HEC  71  -1.440 -12.034   9.919
  571    HAB  HEC  71          HT2A      HEC  71  -3.629 -10.262   7.144
  572   1HBB  HEC  71          HT21      HEC  71  -3.582 -11.109  10.037
  573   2HBB  HEC  71          HT22      HEC  71  -4.124  -9.531   9.432
  574   3HBB  HEC  71          HT23      HEC  71  -4.965 -11.012   8.939
  575   1HMC  HEC  71          HM31      HEC  71  -2.624  -8.825   3.356
  576   2HMC  HEC  71          HM32      HEC  71  -3.946  -7.786   3.931
  577   3HMC  HEC  71          HM33      HEC  71  -3.105  -7.420   2.406
  578    HAC  HEC  71          HT4A      HEC  71  -1.037  -4.100   2.522
  579   1HBC  HEC  71          HT41      HEC  71  -3.186  -3.818   1.584
  580   2HBC  HEC  71          HT42      HEC  71  -3.808  -5.278   2.381
  581   3HBC  HEC  71          HT43      HEC  71  -3.306  -3.873   3.346
  582   1HMD  HEC  71          HM51      HEC  71   3.674  -1.988   4.344
  583   2HMD  HEC  71          HM52      HEC  71   2.262  -2.652   3.529
  584   3HMD  HEC  71          HM53      HEC  71   2.073  -1.268   4.591
  585   1HAD  HEC  71          HP61      HEC  71   4.411  -1.455   6.355
  586   2HAD  HEC  71          HP62      HEC  71   3.817  -1.546   7.974
  587   1HBD  HEC  71          HP63      HEC  71   5.530  -3.843   7.464
  588   2HBD  HEC  71          HP64      HEC  71   6.316  -2.383   6.880
  Start of MODEL   35
    1   1H    ALA   1          1H        ALA   1  10.981   3.346  -8.537
    2   2H    ALA   1          2H        ALA   1  10.977   4.785  -7.639
    3   3H    ALA   1          3H        ALA   1  10.042   3.534  -7.208
    4    HA   ALA   1           HA       ALA   1   8.572   4.988  -8.231
    5   1HB   ALA   1          1HB       ALA   1  10.692   5.309 -10.394
    6   2HB   ALA   1          2HB       ALA   1   9.109   6.118 -10.355
    7   3HB   ALA   1          3HB       ALA   1  10.318   6.482  -9.115
    8    H    ASP   2           H        ASP   2   8.298   2.255  -8.120
    9    HA   ASP   2           HA       ASP   2   7.482   0.939 -10.373
   10   1HB   ASP   2          1HB       ASP   2   9.509  -0.283 -10.976
   11   2HB   ASP   2          2HB       ASP   2   9.720   1.415 -11.331
   12    H    VAL   3           H        VAL   3   8.319  -1.608  -9.780
   13    HA   VAL   3           HA       VAL   3   6.668  -1.941  -7.507
   14    HB   VAL   3           HB       VAL   3   6.688  -3.530  -9.293
   15   1HG1  VAL   3          1HG1      VAL   3   9.142  -3.561  -9.833
   16   2HG1  VAL   3          2HG1      VAL   3   9.409  -4.545  -8.378
   17   3HG1  VAL   3          3HG1      VAL   3   8.399  -5.161  -9.691
   18   1HG2  VAL   3          1HG2      VAL   3   7.547  -4.830  -6.677
   19   2HG2  VAL   3          2HG2      VAL   3   5.920  -4.221  -7.050
   20   3HG2  VAL   3          3HG2      VAL   3   6.588  -5.573  -7.974
   21    H    VAL   4           H        VAL   4   7.134  -1.462  -5.483
   22    HA   VAL   4           HA       VAL   4   9.919  -1.863  -4.443
   23    HB   VAL   4           HB       VAL   4   7.786   0.140  -3.717
   24   1HG1  VAL   4          1HG1      VAL   4  10.398  -0.473  -2.229
   25   2HG1  VAL   4          2HG1      VAL   4   9.349   0.923  -1.925
   26   3HG1  VAL   4          3HG1      VAL   4   8.781  -0.699  -1.562
   27   1HG2  VAL   4          1HG2      VAL   4   9.373   0.723  -5.575
   28   2HG2  VAL   4          2HG2      VAL   4   9.545   1.770  -4.160
   29   3HG2  VAL   4          3HG2      VAL   4  10.720   0.471  -4.461
   30    H    THR   5           H        THR   5   9.984  -2.598  -2.230
   31    HA   THR   5           HA       THR   5   7.445  -3.525  -1.247
   32    HB   THR   5           HB       THR   5   8.497  -5.655  -1.913
   33    HG1  THR   5           HG1      THR   5   7.732  -5.146   0.370
   34   1HG2  THR   5          1HG2      THR   5  10.700  -6.381  -1.099
   35   2HG2  THR   5          2HG2      THR   5  10.858  -4.959  -2.141
   36   3HG2  THR   5          3HG2      THR   5  10.983  -4.789  -0.375
   37    H    TYR   6           H        TYR   6   7.046  -3.176   0.795
   38    HA   TYR   6           HA       TYR   6   8.857  -1.472   2.327
   39   1HB   TYR   6          1HB       TYR   6   6.437  -2.887   3.315
   40   2HB   TYR   6          2HB       TYR   6   7.211  -1.461   4.002
   41    HD1  TYR   6           HD1      TYR   6   7.179   0.706   2.379
   42    HD2  TYR   6           HD2      TYR   6   4.599  -2.694   2.040
   43    HE1  TYR   6           HE1      TYR   6   5.658   1.970   0.890
   44    HE2  TYR   6           HE2      TYR   6   3.114  -1.445   0.509
   45    HH   TYR   6           HH       TYR   6   3.295   0.536  -0.942
   46    H    GLU   7           H        GLU   7  10.733  -2.680   2.708
   47    HA   GLU   7           HA       GLU   7  10.728  -5.449   3.401
   48   1HB   GLU   7          1HB       GLU   7  13.085  -5.029   4.017
   49   2HB   GLU   7          2HB       GLU   7  12.589  -4.795   2.338
   50   1HG   GLU   7          1HG       GLU   7  12.656  -2.353   2.568
   51   2HG   GLU   7          2HG       GLU   7  12.970  -2.501   4.311
   52    H    ASN   8           H        ASN   8   9.117  -5.255   4.884
   53    HA   ASN   8           HA       ASN   8   9.598  -4.475   7.687
   54   1HB   ASN   8          1HB       ASN   8   7.361  -5.375   8.093
   55   2HB   ASN   8          2HB       ASN   8   7.351  -4.352   6.664
   56   1HD2  ASN   8          1HD2      ASN   8   5.949  -5.235   5.196
   57   2HD2  ASN   8          2HD2      ASN   8   5.981  -6.919   4.669
   58    H    LYS   9           H        LYS   9   8.946  -6.381   9.371
   59    HA   LYS   9           HA       LYS   9  11.065  -8.356   8.911
   60   1HB   LYS   9          1HB       LYS   9  10.847  -6.994  10.964
   61   2HB   LYS   9          2HB       LYS   9   9.342  -7.835  11.367
   62   1HG   LYS   9          1HG       LYS   9  10.518  -9.976  11.509
   63   2HG   LYS   9          2HG       LYS   9  12.025  -9.246  10.948
   64   1HD   LYS   9          1HD       LYS   9  10.550  -8.482  13.510
   65   2HD   LYS   9          2HD       LYS   9  11.889  -9.647  13.418
   66   1HE   LYS   9          1HE       LYS   9  13.310  -7.771  12.379
   67   2HE   LYS   9          2HE       LYS   9  12.009  -6.647  12.810
   68   1HZ   LYS   9          1HZ       LYS   9  13.542  -8.293  14.703
   69   2HZ   LYS   9          2HZ       LYS   9  13.705  -6.678  14.453
   70   3HZ   LYS   9          3HZ       LYS   9  12.316  -7.265  15.104
   71    H    LYS  10           H        LYS  10   7.568  -8.264   8.905
   72    HA   LYS  10           HA       LYS  10   6.920 -10.997   9.415
   73   1HB   LYS  10          1HB       LYS  10   5.660  -8.993   7.494
   74   2HB   LYS  10          2HB       LYS  10   4.946 -10.556   7.869
   75   1HG   LYS  10          1HG       LYS  10   5.502  -8.340   9.853
   76   2HG   LYS  10          2HG       LYS  10   3.947  -8.633   9.095
   77   1HD   LYS  10          1HD       LYS  10   3.475  -9.946  10.860
   78   2HD   LYS  10          2HD       LYS  10   4.521 -11.145  10.099
   79   1HE   LYS  10          1HE       LYS  10   6.486 -10.026  11.400
   80   2HE   LYS  10          2HE       LYS  10   5.258  -9.103  12.266
   81   1HZ   LYS  10          1HZ       LYS  10   5.488 -12.039  12.221
   82   2HZ   LYS  10          2HZ       LYS  10   5.905 -11.049  13.465
   83   3HZ   LYS  10          3HZ       LYS  10   4.327 -11.191  13.028
   84    H    GLY  11           H        GLY  11   7.483  -9.424   6.285
   85   1HA   GLY  11          1HA       GLY  11   8.930 -11.334   4.898
   86   2HA   GLY  11          2HA       GLY  11   7.250 -11.905   4.802
   87    H    ASN  12           H        ASN  12   8.737  -8.698   4.821
   88    HA   ASN  12           HA       ASN  12   8.591  -6.897   3.499
   89   1HB   ASN  12          1HB       ASN  12   9.379  -8.793   1.337
   90   2HB   ASN  12          2HB       ASN  12   9.948  -7.150   1.603
   91   1HD2  ASN  12          1HD2      ASN  12  10.543  -7.465   4.583
   92   2HD2  ASN  12          2HD2      ASN  12  11.932  -8.499   4.571
   93    H    VAL  13           H        VAL  13   6.727  -5.882   3.022
   94    HA   VAL  13           HA       VAL  13   4.600  -7.285   1.535
   95    HB   VAL  13           HB       VAL  13   4.746  -4.631   2.935
   96   1HG1  VAL  13          1HG1      VAL  13   3.503  -4.079   0.882
   97   2HG1  VAL  13          2HG1      VAL  13   2.640  -5.610   0.950
   98   3HG1  VAL  13          3HG1      VAL  13   2.307  -4.349   2.155
   99   1HG2  VAL  13          1HG2      VAL  13   2.637  -6.787   3.184
  100   2HG2  VAL  13          2HG2      VAL  13   4.176  -6.888   4.028
  101   3HG2  VAL  13          3HG2      VAL  13   3.103  -5.513   4.337
  102    H    THR  14           H        THR  14   4.493  -7.277  -0.599
  103    HA   THR  14           HA       THR  14   6.176  -5.438  -2.183
  104    HB   THR  14           HB       THR  14   4.420  -7.796  -2.970
  105    HG1  THR  14           HG1      THR  14   6.336  -8.125  -1.564
  106   1HG2  THR  14          1HG2      THR  14   5.811  -7.796  -5.037
  107   2HG2  THR  14          2HG2      THR  14   4.831  -6.328  -4.913
  108   3HG2  THR  14          3HG2      THR  14   6.567  -6.274  -4.523
  109    H    PHE  15           H        PHE  15   5.385  -3.781  -3.480
  110    HA   PHE  15           HA       PHE  15   2.517  -3.707  -4.102
  111   1HB   PHE  15          1HB       PHE  15   2.239  -1.401  -3.474
  112   2HB   PHE  15          2HB       PHE  15   2.673  -2.356  -2.062
  113    HD1  PHE  15           HD1      PHE  15   5.177  -2.388  -1.360
  114    HD2  PHE  15           HD2      PHE  15   3.427   0.621  -3.918
  115    HE1  PHE  15           HE1      PHE  15   6.827  -0.751  -0.580
  116    HE2  PHE  15           HE2      PHE  15   5.123   2.255  -3.136
  117    HZ   PHE  15           HZ       PHE  15   6.779   1.564  -1.387
  118    H    ASP  16           H        ASP  16   2.326  -3.387  -6.212
  119    HA   ASP  16           HA       ASP  16   4.512  -2.277  -7.818
  120   1HB   ASP  16          1HB       ASP  16   1.754  -3.291  -8.445
  121   2HB   ASP  16          2HB       ASP  16   2.586  -2.149  -9.522
  122    H    HIS  17           H        HIS  17   4.908  -0.420  -6.683
  123    HA   HIS  17           HA       HIS  17   3.392   1.807  -6.171
  124   1HB   HIS  17          1HB       HIS  17   5.977   1.318  -6.077
  125   2HB   HIS  17          2HB       HIS  17   5.999   1.930  -7.719
  126    HD1  HIS  17           HND      HIS  17   7.800   3.503  -6.208
  127    HD2  HIS  17           HD       HIS  17   3.663   4.149  -5.812
  128    HE1  HIS  17           HE       HIS  17   7.532   5.837  -5.408
  129    H    LYS  18           H        LYS  18   4.903   0.984  -9.315
  130    HA   LYS  18           HA       LYS  18   3.792   3.122 -10.815
  131   1HB   LYS  18          1HB       LYS  18   5.170   2.596 -12.293
  132   2HB   LYS  18          2HB       LYS  18   5.746   1.337 -11.265
  133   1HG   LYS  18          1HG       LYS  18   3.434   0.850 -13.122
  134   2HG   LYS  18          2HG       LYS  18   5.086   0.871 -13.663
  135   1HD   LYS  18          1HD       LYS  18   5.817  -0.886 -12.240
  136   2HD   LYS  18          2HD       LYS  18   4.315  -0.909 -11.327
  137   1HE   LYS  18          1HE       LYS  18   3.039  -1.607 -13.344
  138   2HE   LYS  18          2HE       LYS  18   4.515  -1.549 -14.325
  139   1HZ   LYS  18          1HZ       LYS  18   4.096  -3.339 -12.017
  140   2HZ   LYS  18          2HZ       LYS  18   3.928  -3.791 -13.583
  141   3HZ   LYS  18          3HZ       LYS  18   5.398  -3.342 -12.983
  142    H    ALA  19           H        ALA  19   2.586  -0.228 -10.482
  143    HA   ALA  19           HA       ALA  19   0.271   0.029 -12.087
  144   1HB   ALA  19          1HB       ALA  19   0.475  -1.387  -9.442
  145   2HB   ALA  19          2HB       ALA  19  -0.749  -1.669 -10.688
  146   3HB   ALA  19          3HB       ALA  19   0.946  -2.093 -11.030
  147    H    HIS  20           H        HIS  20   0.647   0.694  -8.550
  148    HA   HIS  20           HA       HIS  20  -2.007   1.670  -8.164
  149   1HB   HIS  20          1HB       HIS  20   0.609   2.191  -6.710
  150   2HB   HIS  20          2HB       HIS  20  -0.893   2.975  -6.250
  151    HD1  HIS  20           HND      HIS  20   0.593  -0.552  -6.444
  152    HD2  HIS  20           HD       HIS  20  -2.728   1.534  -4.928
  153    HE1  HIS  20           HE       HIS  20  -0.658  -2.156  -4.880
  154    H    ALA  21           H        ALA  21   0.974   3.119  -9.342
  155    HA   ALA  21           HA       ALA  21   0.058   5.846  -9.301
  156   1HB   ALA  21          1HB       ALA  21   2.210   4.632 -11.069
  157   2HB   ALA  21          2HB       ALA  21   1.858   6.314 -10.865
  158   3HB   ALA  21          3HB       ALA  21   2.432   5.361  -9.466
  159    H    GLU  22           H        GLU  22   0.025   3.457 -11.979
  160    HA   GLU  22           HA       GLU  22  -1.167   5.339 -13.839
  161   1HB   GLU  22          1HB       GLU  22  -1.632   3.330 -15.259
  162   2HB   GLU  22          2HB       GLU  22   0.068   3.613 -14.891
  163   1HG   GLU  22          1HG       GLU  22   0.220   1.767 -13.482
  164   2HG   GLU  22          2HG       GLU  22  -1.531   1.682 -13.209
  165    H    LYS  23           H        LYS  23  -2.469   2.761 -11.713
  166    HA   LYS  23           HA       LYS  23  -5.136   3.008 -12.795
  167   1HB   LYS  23          1HB       LYS  23  -4.150   1.811 -10.184
  168   2HB   LYS  23          2HB       LYS  23  -5.785   1.644 -10.831
  169   1HG   LYS  23          1HG       LYS  23  -3.200   0.549 -12.008
  170   2HG   LYS  23          2HG       LYS  23  -4.509  -0.332 -11.241
  171   1HD   LYS  23          1HD       LYS  23  -6.002   0.604 -13.167
  172   2HD   LYS  23          2HD       LYS  23  -4.464   1.019 -13.952
  173   1HE   LYS  23          1HE       LYS  23  -5.526  -1.734 -13.195
  174   2HE   LYS  23          2HE       LYS  23  -5.096  -1.123 -14.803
  175   1HZ   LYS  23          1HZ       LYS  23  -3.333  -1.878 -12.581
  176   2HZ   LYS  23          2HZ       LYS  23  -3.385  -2.540 -14.062
  177   3HZ   LYS  23          3HZ       LYS  23  -2.758  -1.025 -13.910
  178    H    LEU  24           H        LEU  24  -3.608   4.279  -9.759
  179    HA   LEU  24           HA       LEU  24  -6.040   5.711  -9.081
  180   1HB   LEU  24          1HB       LEU  24  -3.287   5.642  -7.790
  181   2HB   LEU  24          2HB       LEU  24  -4.696   6.454  -7.176
  182    HG   LEU  24           HG       LEU  24  -5.882   4.535  -6.738
  183   1HD1  LEU  24          1HD1      LEU  24  -5.126   2.198  -7.090
  184   2HD1  LEU  24          2HD1      LEU  24  -5.665   3.027  -8.548
  185   3HD1  LEU  24          3HD1      LEU  24  -3.924   2.800  -8.216
  186   1HD2  LEU  24          1HD2      LEU  24  -2.964   3.868  -6.124
  187   2HD2  LEU  24          2HD2      LEU  24  -3.930   5.010  -5.176
  188   3HD2  LEU  24          3HD2      LEU  24  -4.349   3.294  -5.193
  189    H    GLY  25           H        GLY  25  -2.691   6.628 -10.193
  190   1HA   GLY  25          1HA       GLY  25  -2.198   8.572 -11.351
  191   2HA   GLY  25          2HA       GLY  25  -3.733   9.304 -10.931
  192    H    CYS  26           H        CYS  26  -1.338   7.924  -8.714
  193    HA   CYS  26           HA       CYS  26   0.089   8.741  -7.168
  194   1HB   CYS  26          1HB       CYS  26  -0.042  11.514  -8.259
  195   2HB   CYS  26          2HB       CYS  26   1.238  10.740  -7.336
  196    H    ASP  27           H        ASP  27  -2.619  10.964  -7.701
  197    HA   ASP  27           HA       ASP  27  -2.494  12.702  -5.571
  198   1HB   ASP  27          1HB       ASP  27  -4.862  13.041  -6.031
  199   2HB   ASP  27          2HB       ASP  27  -3.969  12.903  -7.550
  200    H    ALA  28           H        ALA  28  -4.110   9.631  -5.892
  201    HA   ALA  28           HA       ALA  28  -5.414   9.180  -3.600
  202   1HB   ALA  28          1HB       ALA  28  -4.588   6.761  -3.836
  203   2HB   ALA  28          2HB       ALA  28  -5.304   7.517  -5.284
  204   3HB   ALA  28          3HB       ALA  28  -3.533   7.369  -5.137
  205    H    CYS  29           H        CYS  29  -1.878   8.990  -3.882
  206    HA   CYS  29           HA       CYS  29  -1.624   8.509  -0.925
  207   1HB   CYS  29          1HB       CYS  29   0.257   7.736  -3.132
  208   2HB   CYS  29          2HB       CYS  29   0.356   7.273  -1.421
  209    H    HIS  30           H        HIS  30  -0.687  10.552  -3.650
  210    HA   HIS  30           HA       HIS  30   1.116  12.167  -1.894
  211   1HB   HIS  30          1HB       HIS  30   1.495  11.373  -4.800
  212   2HB   HIS  30          2HB       HIS  30   2.532  12.460  -3.893
  213    HD1  HIS  30           HND      HIS  30   3.943  11.219  -1.863
  214    HD2  HIS  30           HD       HIS  30   2.234   8.960  -4.930
  215    HE1  HIS  30           HE       HIS  30   5.425   9.070  -2.210
  216    H    GLU  31           H        GLU  31  -0.263  13.889  -1.633
  217    HA   GLU  31           HA       GLU  31  -1.400  15.197  -4.074
  218   1HB   GLU  31          1HB       GLU  31  -1.788  16.343  -1.270
  219   2HB   GLU  31          2HB       GLU  31  -2.732  16.496  -2.744
  220   1HG   GLU  31          1HG       GLU  31  -3.211  14.042  -2.537
  221   2HG   GLU  31          2HG       GLU  31  -2.461  14.053  -0.938
  222    H    GLY  32           H        GLY  32   0.178  16.348  -1.167
  223   1HA   GLY  32          1HA       GLY  32   1.288  18.673  -2.528
  224   2HA   GLY  32          2HA       GLY  32   1.415  18.283  -0.809
  225    H    THR  33           H        THR  33   2.512  16.828  -3.873
  226    HA   THR  33           HA       THR  33   4.511  16.359  -4.725
  227    HB   THR  33           HB       THR  33   5.835  17.808  -2.394
  228    HG1  THR  33           HG1      THR  33   4.801  18.707  -4.886
  229   1HG2  THR  33          1HG2      THR  33   7.631  18.242  -3.979
  230   2HG2  THR  33          2HG2      THR  33   7.436  16.502  -3.731
  231   3HG2  THR  33          3HG2      THR  33   6.826  17.266  -5.221
  232    HA   PRO  34           HA       PRO  34   5.392  12.584  -2.394
  233   1HB   PRO  34          1HB       PRO  34   6.970  11.270  -4.127
  234   2HB   PRO  34          2HB       PRO  34   5.223  11.484  -4.437
  235   1HG   PRO  34          1HG       PRO  34   7.485  13.142  -5.532
  236   2HG   PRO  34          2HG       PRO  34   6.097  12.422  -6.405
  237   1HD   PRO  34          1HD       PRO  34   6.122  15.018  -5.599
  238   2HD   PRO  34          2HD       PRO  34   4.612  14.056  -5.586
  239    H    ALA  35           H        ALA  35   6.955  12.189  -0.847
  240    HA   ALA  35           HA       ALA  35   9.787  12.700  -1.373
  241   1HB   ALA  35          1HB       ALA  35  10.057  14.169   0.600
  242   2HB   ALA  35          2HB       ALA  35   9.032  14.933  -0.630
  243   3HB   ALA  35          3HB       ALA  35   8.292  14.215   0.817
  244    H    LYS  36           H        LYS  36   8.758  10.374  -1.272
  245    HA   LYS  36           HA       LYS  36   8.405   8.375  -0.308
  246   1HB   LYS  36          1HB       LYS  36   9.757   9.497   2.200
  247   2HB   LYS  36          2HB       LYS  36   9.185   7.861   1.991
  248   1HG   LYS  36          1HG       LYS  36  10.902   8.600  -0.257
  249   2HG   LYS  36          2HG       LYS  36  11.729   8.884   1.277
  250   1HD   LYS  36          1HD       LYS  36  10.283   6.303   0.552
  251   2HD   LYS  36          2HD       LYS  36  12.012   6.542   0.314
  252   1HE   LYS  36          1HE       LYS  36  12.436   6.769   2.650
  253   2HE   LYS  36          2HE       LYS  36  10.745   6.879   3.088
  254   1HZ   LYS  36          1HZ       LYS  36  11.434   4.438   1.716
  255   2HZ   LYS  36          2HZ       LYS  36  11.952   4.585   3.310
  256   3HZ   LYS  36          3HZ       LYS  36  10.375   4.728   2.810
  257    H    ILE  37           H        ILE  37   7.184   7.367   1.616
  258    HA   ILE  37           HA       ILE  37   5.181   9.308   2.797
  259    HB   ILE  37           HB       ILE  37   4.702   6.382   2.122
  260   1HG1  ILE  37          1HG1      ILE  37   4.812   7.735   0.140
  261   2HG1  ILE  37          2HG1      ILE  37   3.207   7.068   0.427
  262   1HG2  ILE  37          1HG2      ILE  37   2.310   6.966   2.699
  263   2HG2  ILE  37          2HG2      ILE  37   3.421   6.909   4.071
  264   3HG2  ILE  37          3HG2      ILE  37   2.917   8.473   3.414
  265   1HD1  ILE  37          1HD1      ILE  37   3.997   9.976   0.850
  266   2HD1  ILE  37          2HD1      ILE  37   2.882   9.299  -0.352
  267   3HD1  ILE  37          3HD1      ILE  37   2.438   9.280   1.345
  268    H    ALA  38           H        ALA  38   6.623   6.196   3.101
  269    HA   ALA  38           HA       ALA  38   7.525   4.958   4.781
  270   1HB   ALA  38          1HB       ALA  38   8.392   7.002   5.807
  271   2HB   ALA  38          2HB       ALA  38   6.890   7.149   6.770
  272   3HB   ALA  38          3HB       ALA  38   7.923   5.726   6.980
  273    H    ILE  39           H        ILE  39   5.685   3.850   3.978
  274    HA   ILE  39           HA       ILE  39   3.304   3.652   5.669
  275    HB   ILE  39           HB       ILE  39   4.488   2.011   3.448
  276   1HG1  ILE  39          1HG1      ILE  39   3.583   4.220   2.814
  277   2HG1  ILE  39          2HG1      ILE  39   2.700   2.872   2.091
  278   1HG2  ILE  39          1HG2      ILE  39   1.777   1.566   4.699
  279   2HG2  ILE  39          2HG2      ILE  39   2.528   0.655   3.370
  280   3HG2  ILE  39          3HG2      ILE  39   3.217   0.559   4.984
  281   1HD1  ILE  39          1HD1      ILE  39   1.215   4.685   2.731
  282   2HD1  ILE  39          2HD1      ILE  39   0.840   3.281   3.723
  283   3HD1  ILE  39          3HD1      ILE  39   1.773   4.634   4.404
  284    H    ASP  40           H        ASP  40   3.398   2.803   7.484
  285    HA   ASP  40           HA       ASP  40   5.346   0.777   8.448
  286   1HB   ASP  40          1HB       ASP  40   4.275   3.197   9.985
  287   2HB   ASP  40          2HB       ASP  40   5.296   1.918  10.658
  288    H    LYS  41           H        LYS  41   4.216  -0.280  10.467
  289    HA   LYS  41           HA       LYS  41   1.645  -1.259   9.910
  290   1HB   LYS  41          1HB       LYS  41   3.195  -2.255  11.514
  291   2HB   LYS  41          2HB       LYS  41   2.977  -0.905  12.626
  292   1HG   LYS  41          1HG       LYS  41   0.362  -2.015  11.948
  293   2HG   LYS  41          2HG       LYS  41   1.460  -3.332  12.308
  294   1HD   LYS  41          1HD       LYS  41   0.357  -2.757  14.323
  295   2HD   LYS  41          2HD       LYS  41   2.045  -2.245  14.485
  296   1HE   LYS  41          1HE       LYS  41   1.402   0.104  14.057
  297   2HE   LYS  41          2HE       LYS  41  -0.265  -0.384  13.689
  298   1HZ   LYS  41          1HZ       LYS  41   1.061  -0.626  16.309
  299   2HZ   LYS  41          2HZ       LYS  41  -0.057   0.501  15.887
  300   3HZ   LYS  41          3HZ       LYS  41  -0.488  -1.079  15.976
  301    H    LYS  42           H        LYS  42   2.501   1.415  12.043
  302    HA   LYS  42           HA       LYS  42  -0.104   2.298  12.757
  303   1HB   LYS  42          1HB       LYS  42   1.095   4.366  13.481
  304   2HB   LYS  42          2HB       LYS  42   1.919   2.902  14.039
  305   1HG   LYS  42          1HG       LYS  42   3.604   3.081  12.330
  306   2HG   LYS  42          2HG       LYS  42   2.686   4.308  11.446
  307   1HD   LYS  42          1HD       LYS  42   3.084   5.956  13.181
  308   2HD   LYS  42          2HD       LYS  42   3.963   4.751  14.168
  309   1HE   LYS  42          1HE       LYS  42   5.569   4.371  12.336
  310   2HE   LYS  42          2HE       LYS  42   4.666   5.470  11.269
  311   1HZ   LYS  42          1HZ       LYS  42   6.602   6.424  12.085
  312   2HZ   LYS  42          2HZ       LYS  42   5.312   7.276  12.654
  313   3HZ   LYS  42          3HZ       LYS  42   6.154   6.266  13.664
  314    H    SER  43           H        SER  43   1.104   2.339   9.669
  315    HA   SER  43           HA       SER  43  -0.403   4.742   8.744
  316   1HB   SER  43          1HB       SER  43   2.474   3.928   8.556
  317   2HB   SER  43          2HB       SER  43   1.737   4.892   7.273
  318    HG   SER  43           HG       SER  43   2.705   6.228   8.847
  319    H    ALA  44           H        ALA  44  -0.498   1.649   8.697
  320    HA   ALA  44           HA       ALA  44  -1.025   1.230   5.780
  321   1HB   ALA  44          1HB       ALA  44   1.232   0.365   6.361
  322   2HB   ALA  44          2HB       ALA  44   0.534  -0.666   7.600
  323   3HB   ALA  44          3HB       ALA  44   0.081  -0.910   5.902
  324    H    HIS  45           H        HIS  45  -0.994  -0.205   8.975
  325    HA   HIS  45           HA       HIS  45  -3.579  -1.666   8.511
  326   1HB   HIS  45          1HB       HIS  45  -1.284  -1.975  10.422
  327   2HB   HIS  45          2HB       HIS  45  -2.879  -2.467  10.965
  328    HD1  HIS  45           HND      HIS  45  -3.652  -4.827  10.325
  329    HD2  HIS  45           HD       HIS  45  -0.266  -3.408   8.326
  330    HE1  HIS  45           HE       HIS  45  -2.526  -6.865   9.274
  331    H    LYS  46           H        LYS  46  -2.550   1.336   9.664
  332    HA   LYS  46           HA       LYS  46  -4.438   1.643  11.850
  333   1HB   LYS  46          1HB       LYS  46  -4.044   3.961  11.732
  334   2HB   LYS  46          2HB       LYS  46  -2.521   3.104  11.522
  335   1HG   LYS  46          1HG       LYS  46  -2.301   4.817  10.025
  336   2HG   LYS  46          2HG       LYS  46  -2.880   3.547   8.954
  337   1HD   LYS  46          1HD       LYS  46  -5.209   4.654   9.256
  338   2HD   LYS  46          2HD       LYS  46  -4.425   5.861  10.256
  339   1HE   LYS  46          1HE       LYS  46  -3.175   6.760   8.443
  340   2HE   LYS  46          2HE       LYS  46  -3.383   5.311   7.447
  341   1HZ   LYS  46          1HZ       LYS  46  -5.607   5.796   7.090
  342   2HZ   LYS  46          2HZ       LYS  46  -5.620   7.092   8.124
  343   3HZ   LYS  46          3HZ       LYS  46  -4.755   7.143   6.717
  344    H    ASP  47           H        ASP  47  -4.417   2.253   8.432
  345    HA   ASP  47           HA       ASP  47  -6.620   1.406   7.443
  346   1HB   ASP  47          1HB       ASP  47  -7.374   3.837   9.030
  347   2HB   ASP  47          2HB       ASP  47  -7.865   3.912   7.355
  348    H    ALA  48           H        ALA  48  -4.498   1.458   6.251
  349    HA   ALA  48           HA       ALA  48  -4.638   3.720   4.277
  350   1HB   ALA  48          1HB       ALA  48  -1.986   2.528   4.176
  351   2HB   ALA  48          2HB       ALA  48  -2.465   4.191   4.408
  352   3HB   ALA  48          3HB       ALA  48  -2.342   3.124   5.815
  353    H    CYS  49           H        CYS  49  -2.922   0.578   4.268
  354    HA   CYS  49           HA       CYS  49  -3.843   0.057   1.594
  355   1HB   CYS  49          1HB       CYS  49  -2.795  -1.996   3.479
  356   2HB   CYS  49          2HB       CYS  49  -2.652  -1.994   1.740
  357    H    LYS  50           H        LYS  50  -4.671  -1.358   4.810
  358    HA   LYS  50           HA       LYS  50  -6.794  -2.979   3.633
  359   1HB   LYS  50          1HB       LYS  50  -5.274  -3.685   5.557
  360   2HB   LYS  50          2HB       LYS  50  -6.145  -2.525   6.563
  361   1HG   LYS  50          1HG       LYS  50  -7.095  -4.612   7.023
  362   2HG   LYS  50          2HG       LYS  50  -8.286  -3.820   5.988
  363   1HD   LYS  50          1HD       LYS  50  -7.169  -5.098   4.010
  364   2HD   LYS  50          2HD       LYS  50  -6.319  -6.034   5.234
  365   1HE   LYS  50          1HE       LYS  50  -9.348  -5.780   4.824
  366   2HE   LYS  50          2HE       LYS  50  -8.354  -7.187   4.428
  367   1HZ   LYS  50          1HZ       LYS  50  -8.857  -6.143   7.136
  368   2HZ   LYS  50          2HZ       LYS  50  -9.505  -7.501   6.476
  369   3HZ   LYS  50          3HZ       LYS  50  -7.893  -7.433   6.784
  370    H    THR  51           H        THR  51  -7.308  -0.505   2.902
  371    HA   THR  51           HA       THR  51  -9.846   0.180   4.270
  372    HB   THR  51           HB       THR  51  -7.827   2.352   3.507
  373    HG1  THR  51           HG1      THR  51  -8.290   1.340   6.087
  374   1HG2  THR  51          1HG2      THR  51 -10.197   3.066   3.717
  375   2HG2  THR  51          2HG2      THR  51 -10.258   2.355   5.348
  376   3HG2  THR  51          3HG2      THR  51  -9.184   3.726   5.016
  377    H    CYS  52           H        CYS  52  -7.545   1.211   1.724
  378    HA   CYS  52           HA       CYS  52  -9.380   2.323  -0.005
  379   1HB   CYS  52          1HB       CYS  52  -6.585   1.548  -0.050
  380   2HB   CYS  52          2HB       CYS  52  -7.346   1.075  -1.566
  381    H    HIS  53           H        HIS  53  -8.186  -1.024  -0.089
  382    HA   HIS  53           HA       HIS  53  -9.420  -1.583  -2.545
  383   1HB   HIS  53          1HB       HIS  53  -8.490  -3.669  -0.562
  384   2HB   HIS  53          2HB       HIS  53  -8.540  -3.818  -2.294
  385    HD1  HIS  53           HND      HIS  53  -6.365  -2.254   0.511
  386    HD2  HIS  53           HD       HIS  53  -6.387  -2.605  -3.711
  387    HE1  HIS  53           HE       HIS  53  -4.132  -1.560  -0.332
  388    H    LYS  54           H        LYS  54 -11.392  -0.745  -0.453
  389    HA   LYS  54           HA       LYS  54 -13.009  -2.252   0.910
  390   1HB   LYS  54          1HB       LYS  54 -14.017  -0.348  -1.197
  391   2HB   LYS  54          2HB       LYS  54 -14.950  -0.988   0.162
  392   1HG   LYS  54          1HG       LYS  54 -12.483   0.754   0.387
  393   2HG   LYS  54          2HG       LYS  54 -14.147   1.265   0.487
  394   1HD   LYS  54          1HD       LYS  54 -12.891  -0.685   2.429
  395   2HD   LYS  54          2HD       LYS  54 -13.069   1.054   2.684
  396   1HE   LYS  54          1HE       LYS  54 -15.605   0.717   2.333
  397   2HE   LYS  54          2HE       LYS  54 -15.295  -1.025   2.445
  398   1HZ   LYS  54          1HZ       LYS  54 -14.366  -0.631   4.641
  399   2HZ   LYS  54          2HZ       LYS  54 -14.702   0.975   4.525
  400   3HZ   LYS  54          3HZ       LYS  54 -15.926  -0.118   4.549
  401    H    SER  55           H        SER  55 -13.746  -1.961  -2.568
  402    HA   SER  55           HA       SER  55 -15.201  -4.584  -2.492
  403   1HB   SER  55          1HB       SER  55 -16.680  -2.570  -2.674
  404   2HB   SER  55          2HB       SER  55 -15.816  -2.107  -4.158
  405    HG   SER  55           HG       SER  55 -16.413  -4.208  -4.967
  406    H    ASN  56           H        ASN  56 -12.321  -4.066  -3.064
  407    HA   ASN  56           HA       ASN  56 -12.198  -4.844  -5.962
  408   1HB   ASN  56          1HB       ASN  56  -9.968  -4.150  -4.025
  409   2HB   ASN  56          2HB       ASN  56  -9.793  -4.501  -5.753
  410   1HD2  ASN  56          1HD2      ASN  56  -8.727  -2.134  -4.770
  411   2HD2  ASN  56          2HD2      ASN  56  -9.729  -0.797  -5.309
  412    H    ASN  57           H        ASN  57  -9.676  -6.438  -5.143
  413    HA   ASN  57           HA       ASN  57 -11.039  -8.866  -4.282
  414   1HB   ASN  57          1HB       ASN  57  -9.079  -9.980  -4.547
  415   2HB   ASN  57          2HB       ASN  57  -8.865  -8.694  -5.731
  416   1HD2  ASN  57          1HD2      ASN  57  -7.140  -7.133  -5.339
  417   2HD2  ASN  57          2HD2      ASN  57  -5.999  -7.395  -4.029
  418    H    GLY  58           H        GLY  58 -10.834  -9.831  -2.184
  419   1HA   GLY  58          1HA       GLY  58 -10.186  -7.927   0.051
  420   2HA   GLY  58          2HA       GLY  58 -11.624  -8.927  -0.033
  421    HA   PRO  59           HA       PRO  59  -8.033 -11.928   0.900
  422   1HB   PRO  59          1HB       PRO  59  -5.788 -10.987   2.172
  423   2HB   PRO  59          2HB       PRO  59  -5.985 -10.806   0.404
  424   1HG   PRO  59          1HG       PRO  59  -6.634  -8.758   2.545
  425   2HG   PRO  59          2HG       PRO  59  -5.631  -8.522   1.080
  426   1HD   PRO  59          1HD       PRO  59  -8.270  -7.837   1.172
  427   2HD   PRO  59          2HD       PRO  59  -7.545  -8.498  -0.322
  428    H    THR  60           H        THR  60  -7.081 -12.770   2.991
  429    HA   THR  60           HA       THR  60  -9.604 -12.704   4.557
  430    HB   THR  60           HB       THR  60  -9.872 -13.365   2.206
  431    HG1  THR  60           HG1      THR  60 -11.135 -14.902   2.605
  432   1HG2  THR  60          1HG2      THR  60  -9.040 -15.421   1.292
  433   2HG2  THR  60          2HG2      THR  60  -7.647 -14.448   1.766
  434   3HG2  THR  60          3HG2      THR  60  -8.169 -15.823   2.772
  435    H    LYS  61           H        LYS  61  -6.595 -14.553   3.867
  436    HA   LYS  61           HA       LYS  61  -6.335 -15.145   6.780
  437   1HB   LYS  61          1HB       LYS  61  -5.787 -17.013   4.430
  438   2HB   LYS  61          2HB       LYS  61  -5.288 -17.319   6.096
  439   1HG   LYS  61          1HG       LYS  61  -8.181 -17.025   5.159
  440   2HG   LYS  61          2HG       LYS  61  -7.315 -18.545   5.422
  441   1HD   LYS  61          1HD       LYS  61  -6.906 -17.715   7.857
  442   2HD   LYS  61          2HD       LYS  61  -8.050 -16.420   7.491
  443   1HE   LYS  61          1HE       LYS  61  -9.269 -18.108   8.634
  444   2HE   LYS  61          2HE       LYS  61  -9.807 -18.112   6.949
  445   1HZ   LYS  61          1HZ       LYS  61  -8.405 -20.041   6.587
  446   2HZ   LYS  61          2HZ       LYS  61  -7.870 -19.999   8.143
  447   3HZ   LYS  61          3HZ       LYS  61  -9.448 -20.326   7.823
  448    H    CYS  62           H        CYS  62  -5.401 -12.949   6.203
  449    HA   CYS  62           HA       CYS  62  -3.775 -11.536   5.617
  450   1HB   CYS  62          1HB       CYS  62  -1.877 -13.784   6.353
  451   2HB   CYS  62          2HB       CYS  62  -1.532 -12.045   6.394
  452    H    GLY  63           H        GLY  63  -1.094 -12.840   4.510
  453   1HA   GLY  63          1HA       GLY  63  -0.305 -13.961   2.675
  454   2HA   GLY  63          2HA       GLY  63  -1.967 -14.346   2.214
  455    H    GLY  64           H        GLY  64  -3.034 -11.836   1.877
  456   1HA   GLY  64          1HA       GLY  64  -2.785 -11.124  -0.694
  457   2HA   GLY  64          2HA       GLY  64  -3.135  -9.951   0.597
  458    H    CYS  65           H        CYS  65  -0.688  -9.851   1.870
  459    HA   CYS  65           HA       CYS  65   0.759  -8.109  -0.092
  460   1HB   CYS  65          1HB       CYS  65   0.103  -7.613   2.799
  461   2HB   CYS  65          2HB       CYS  65   0.740  -6.436   1.644
  462    H    HIS  66           H        HIS  66   1.061  -9.639   3.154
  463    HA   HIS  66           HA       HIS  66   3.956  -9.509   3.169
  464   1HB   HIS  66          1HB       HIS  66   2.026 -11.192   4.826
  465   2HB   HIS  66          2HB       HIS  66   3.741 -11.012   5.131
  466    HD1  HIS  66           HND      HIS  66   4.529  -8.353   5.759
  467    HD2  HIS  66           HD       HIS  66   0.445  -9.344   5.968
  468    HE1  HIS  66           HE       HIS  66   3.360  -6.536   7.117
  469    H    ILE  67           H        ILE  67   5.301 -10.872   2.076
  470    HA   ILE  67           HA       ILE  67   4.265 -13.330   0.829
  471    HB   ILE  67           HB       ILE  67   7.051 -12.113   0.812
  472   1HG1  ILE  67          1HG1      ILE  67   5.507 -10.467  -0.113
  473   2HG1  ILE  67          2HG1      ILE  67   6.509 -11.173  -1.372
  474   1HG2  ILE  67          1HG2      ILE  67   7.108 -14.451   0.160
  475   2HG2  ILE  67          2HG2      ILE  67   5.731 -14.240  -0.930
  476   3HG2  ILE  67          3HG2      ILE  67   7.286 -13.458  -1.289
  477   1HD1  ILE  67          1HD1      ILE  67   4.213 -10.887  -2.135
  478   2HD1  ILE  67          2HD1      ILE  67   4.598 -12.613  -2.081
  479   3HD1  ILE  67          3HD1      ILE  67   3.592 -11.875  -0.809
  480    H    LYS  68           H        LYS  68   3.640 -14.264   2.960
  481    HA   LYS  68           HA       LYS  68   5.624 -16.162   3.667
  482   1HB   LYS  68          1HB       LYS  68   5.952 -14.063   5.301
  483   2HB   LYS  68          2HB       LYS  68   4.423 -14.594   5.979
  484   1HG   LYS  68          1HG       LYS  68   6.046 -15.636   7.348
  485   2HG   LYS  68          2HG       LYS  68   5.463 -16.908   6.276
  486   1HD   LYS  68          1HD       LYS  68   7.813 -17.174   6.351
  487   2HD   LYS  68          2HD       LYS  68   7.493 -16.430   4.779
  488   1HE   LYS  68          1HE       LYS  68   8.038 -14.169   5.818
  489   2HE   LYS  68          2HE       LYS  68   8.467 -15.009   7.316
  490   1HZ   LYS  68          1HZ       LYS  68   9.742 -15.286   4.676
  491   2HZ   LYS  68          2HZ       LYS  68  10.362 -14.520   5.992
  492   3HZ   LYS  68          3HZ       LYS  68  10.174 -16.157   6.011
  493    HHA  HEC  69           HCM      HEC  69   8.337   6.576  -1.945
  494    HHB  HEC  69           HDM      HEC  69   6.817  10.136  -7.059
  495    HHC  HEC  69           HAM      HEC  69   1.286   6.917  -7.465
  496    HHD  HEC  69           HBM      HEC  69   2.335   4.703  -1.565
  497   1HMA  HEC  69          HM81      HEC  69  10.138  10.329  -5.217
  498   2HMA  HEC  69          HM82      HEC  69   9.611   9.660  -6.779
  499   3HMA  HEC  69          HM83      HEC  69   8.730  11.015  -6.030
  500   1HAA  HEC  69          HP71      HEC  69  10.594   8.803  -3.181
  501   2HAA  HEC  69          HP72      HEC  69  10.182   7.095  -2.989
  502   1HBA  HEC  69          HP73      HEC  69  11.293   8.356  -5.495
  503   2HBA  HEC  69          HP74      HEC  69  12.117   7.306  -4.355
  504   1HMB  HEC  69          HM11      HEC  69   5.285  11.377  -8.295
  505   2HMB  HEC  69          HM12      HEC  69   5.603  10.228  -9.616
  506   3HMB  HEC  69          HM13      HEC  69   4.013  11.020  -9.447
  507    HAB  HEC  69          HT2A      HEC  69   1.605   7.907  -9.325
  508   1HBB  HEC  69          HT21      HEC  69   3.728   9.356 -10.956
  509   2HBB  HEC  69          HT22      HEC  69   3.728   7.615 -10.658
  510   3HBB  HEC  69          HT23      HEC  69   2.393   8.386 -11.555
  511   1HMC  HEC  69          HM31      HEC  69  -0.831   6.864  -6.020
  512   2HMC  HEC  69          HM32      HEC  69  -0.482   5.320  -6.843
  513   3HMC  HEC  69          HM33      HEC  69  -1.372   5.357  -5.306
  514    HAC  HEC  69          HT4A      HEC  69   0.308   4.580  -1.899
  515   1HBC  HEC  69          HT41      HEC  69  -1.473   3.552  -4.091
  516   2HBC  HEC  69          HT42      HEC  69  -0.009   2.704  -3.550
  517   3HBC  HEC  69          HT43      HEC  69  -1.329   3.028  -2.419
  518   1HMD  HEC  69          HM51      HEC  69   4.909   4.098   1.049
  519   2HMD  HEC  69          HM52      HEC  69   3.338   4.839   0.650
  520   3HMD  HEC  69          HM53      HEC  69   3.848   3.368  -0.163
  521   1HAD  HEC  69          HP61      HEC  69   7.950   6.100   0.067
  522   2HAD  HEC  69          HP62      HEC  69   6.783   5.330   1.073
  523   1HBD  HEC  69          HP63      HEC  69   7.348   3.137   0.158
  524   2HBD  HEC  69          HP64      HEC  69   8.441   3.893  -1.019
  525    HHA  HEC  70           HCM      HEC  70  -4.045  -4.198  -6.759
  526    HHB  HEC  70           HDM      HEC  70  -0.349  -4.129  -1.538
  527    HHC  HEC  70           HAM      HEC  70  -2.580   1.639  -0.063
  528    HHD  HEC  70           HBM      HEC  70  -6.578   1.421  -5.022
  529   1HMA  HEC  70          HM81      HEC  70   0.316  -6.043  -3.404
  530   2HMA  HEC  70          HM82      HEC  70  -0.902  -6.404  -2.155
  531   3HMA  HEC  70          HM83      HEC  70  -1.000  -7.207  -3.710
  532   1HAA  HEC  70          HP71      HEC  70  -2.257  -5.663  -6.961
  533   2HAA  HEC  70          HP72      HEC  70  -1.420  -6.779  -5.891
  534   1HBA  HEC  70          HP73      HEC  70  -4.435  -6.491  -6.132
  535   2HBA  HEC  70          HP74      HEC  70  -3.443  -7.790  -6.802
  536   1HMB  HEC  70          HM11      HEC  70   0.856  -2.060   1.375
  537   2HMB  HEC  70          HM12      HEC  70  -0.081  -3.504   0.959
  538   3HMB  HEC  70          HM13      HEC  70   1.219  -2.949  -0.113
  539    HAB  HEC  70          HT2A      HEC  70  -1.416   1.121   1.468
  540   1HBB  HEC  70          HT21      HEC  70   0.761   1.556   2.179
  541   2HBB  HEC  70          HT22      HEC  70   1.408   0.118   1.372
  542   3HBB  HEC  70          HT23      HEC  70   0.787   1.472   0.410
  543   1HMC  HEC  70          HM31      HEC  70  -3.187   3.898  -0.811
  544   2HMC  HEC  70          HM32      HEC  70  -4.803   4.509  -1.158
  545   3HMC  HEC  70          HM33      HEC  70  -4.581   3.337   0.153
  546    HAC  HEC  70          HT4A      HEC  70  -7.454   2.610  -3.423
  547   1HBC  HEC  70          HT41      HEC  70  -5.866   5.163  -3.065
  548   2HBC  HEC  70          HT42      HEC  70  -6.329   4.404  -4.609
  549   3HBC  HEC  70          HT43      HEC  70  -7.569   5.052  -3.538
  550   1HMD  HEC  70          HM51      HEC  70  -7.057  -0.158  -8.390
  551   2HMD  HEC  70          HM52      HEC  70  -8.198  -0.369  -7.049
  552   3HMD  HEC  70          HM53      HEC  70  -7.149   1.063  -7.122
  553   1HAD  HEC  70          HP61      HEC  70  -5.740  -3.786  -8.081
  554   2HAD  HEC  70          HP62      HEC  70  -7.003  -2.632  -8.400
  555   1HBD  HEC  70          HP63      HEC  70  -5.912  -1.748 -10.108
  556   2HBD  HEC  70          HP64      HEC  70  -4.537  -1.334  -9.082
  557    HHA  HEC  71           HCM      HEC  71   3.388  -3.793   9.140
  558    HHB  HEC  71           HDM      HEC  71   0.690  -9.106  11.416
  559    HHC  HEC  71           HAM      HEC  71  -2.791  -9.589   6.067
  560    HHD  HEC  71           HBM      HEC  71  -0.054  -4.312   3.825
  561   1HMA  HEC  71          HM81      HEC  71   1.768  -7.251  13.395
  562   2HMA  HEC  71          HM82      HEC  71   2.580  -8.645  12.655
  563   3HMA  HEC  71          HM83      HEC  71   3.521  -7.223  13.125
  564   1HAA  HEC  71          HP71      HEC  71   4.353  -4.183  11.017
  565   2HAA  HEC  71          HP72      HEC  71   4.228  -5.150  12.467
  566   1HBA  HEC  71          HP73      HEC  71   5.401  -6.959  11.440
  567   2HBA  HEC  71          HP74      HEC  71   5.330  -6.167   9.835
  568   1HMB  HEC  71          HM11      HEC  71  -1.437 -10.726  11.727
  569   2HMB  HEC  71          HM12      HEC  71  -1.516 -12.051  10.543
  570   3HMB  HEC  71          HM13      HEC  71   0.045 -11.368  10.975
  571    HAB  HEC  71          HT2A      HEC  71  -3.831 -10.639   7.661
  572   1HBB  HEC  71          HT21      HEC  71  -4.403  -9.811   9.874
  573   2HBB  HEC  71          HT22      HEC  71  -5.095 -11.403   9.512
  574   3HBB  HEC  71          HT23      HEC  71  -3.710 -11.274  10.604
  575   1HMC  HEC  71          HM31      HEC  71  -3.498  -8.186   2.703
  576   2HMC  HEC  71          HM32      HEC  71  -2.945  -9.489   3.743
  577   3HMC  HEC  71          HM33      HEC  71  -4.293  -8.454   4.269
  578    HAC  HEC  71          HT4A      HEC  71  -1.504  -4.845   2.460
  579   1HBC  HEC  71          HT41      HEC  71  -3.826  -4.570   3.144
  580   2HBC  HEC  71          HT42      HEC  71  -3.637  -4.815   1.396
  581   3HBC  HEC  71          HT43      HEC  71  -4.239  -6.130   2.409
  582   1HMD  HEC  71          HM51      HEC  71   2.627  -2.788   3.749
  583   2HMD  HEC  71          HM52      HEC  71   0.900  -2.363   3.798
  584   3HMD  HEC  71          HM53      HEC  71   2.087  -1.383   4.644
  585   1HAD  HEC  71          HP61      HEC  71   2.998  -1.067   6.643
  586   2HAD  HEC  71          HP62      HEC  71   3.029  -1.743   8.263
  587   1HBD  HEC  71          HP63      HEC  71   5.289  -1.358   7.333
  588   2HBD  HEC  71          HP64      HEC  71   5.014  -3.073   7.692