*HEADER   ELECTRON TRANSPORT                      25-MAR-98   2DVH    
*TITLE    THE Y64A MUTANT OF CYTOCHROME C553 FROM DESULFOVIBRIO       
*TITLE   2 VULGARIS HILDENBOROUGH, NMR, 39 STRUCTURES                 
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYTOCHROME C-553;                                
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: Y64A                                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS;          
*SOURCE  3 STRAIN: HILDENBOROUGH;                                     
*SOURCE  4 CELLULAR_LOCATION: PERIPLASM;                              
*SOURCE  5 PLASMID: PJRD215;                                          
*SOURCE  6 GENE: M13CYF;                                              
*SOURCE  7 EXPRESSION_SYSTEM: DESULFOVIBRIO DESULFURICANS;            
*SOURCE  8 EXPRESSION_SYSTEM_STRAIN: G200;                            
*SOURCE  9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: PERIPLASM;            
*SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PRC41/TYR64ALA;                 
*SOURCE 11 EXPRESSION_SYSTEM_GENE: CYF                                
*KEYWDS   ELECTRON TRANSPORT, CYTOCHROME C, HEME                      
*EXPDTA   NMR, 39 STRUCTURES                                          
*AUTHOR   C.SEBBAN-KREUZER,M.J.BLACKLEDGE,A.DOLLA,D.MARION,           
*AUTHOR  2 F.GUERLESQUIN                                              
*REVDAT  1   17-JUN-98 2DVH    0                                      
 
!BIOSYM restraint 1
!
#chiral
1:ALA_1:CA        S
1:ASP_2:CA        S
1:ALA_4:CA         S
1:ALA_5:CA         S
1:LEU_6:CA         S
1:TYR_7:CA         S
1:LYS_8:CA        S
1:SER_9:CA         S
1:CYS_10:CA        R
1:ILE_11:CA        S
1:ILE_11:CB        S
1:CYS_13:CA        R
1:HIS_14:CA        S
1:ALA_16:CA        S
1:ASP_17:CA       S
1:SER_19:CA        S
1:LYS_20:CA       S
1:ALA_21:CA        S
1:ALA_22:CA        S
1:MET_23:CA        S
1:SER_25:CA        S
1:ALA_26:CA        S
1:LYS_27:CA       S
1:PRO_28:CA        S
1:VAL_29:CA        S
1:LYS_30:CA       S
1:GLN_32:CA        S
1:ALA_34:CA        S
1:GLU_35:CA       S
1:GLU_36:CA       S
1:LEU_37:CA        S
1:TYR_38:CA        S
1:LYS_39:CA       S
1:LYS_40:CA       S
1:MET_41:CA        S
1:LYS_42:CA       S
1:TYR_44:CA        S
1:ALA_45:CA        S
1:ASP_46:CA       S
1:SER_48:CA        S
1:TYR_49:CA        S
1:GLU_52:CA       S
1:ARG_53:CA       S
1:LYS_54:CA       S
1:ALA_55:CA        S
1:MET_56:CA        S
1:MET_57:CA        S
1:MET_57:SD        S
1:THR_58:CA        S
1:THR_58:CB        R
1:ASN_59:CA        S
1:ALA_60:CA        S
1:VAL_61:CA        S
1:LYS_62:CA       S
1:LYS_63:CA       S
1:ALA_64:CA        S
1:SER_65:CA        S
1:ASP_66:CA       S
1:GLU_67:CA       S
1:GLU_68:CA       S
1:LEU_69:CA        S
1:LYS_70:CA       S
1:ALA_71:CA        S
1:LEU_72:CA        S
1:ALA_73:CA        S
1:ASP_74:CA       S
1:TYR_75:CA        S
1:MET_76:CA        S
1:SER_77:CA        S
1:LYS_78:CA       S
1:LEU_79:CA       S
!
#NOE_distance
1:HEM_0C:HBB*   1:SER_9:HB*     -1.0000 5.4760  4.4760  50.000  50.000  1000.0  3.7300
1:HEM_0C:HHC    1:ALA_60:HB*    -1.0000 5.0452  4.0452  50.000  50.000  1000.0  3.3710
1:HEM_0C:HHC    1:CYS_10:HA     -1.0000 3.0000  2.8188  50.000  50.000  1000.0  2.3490
1:HEM_0C:HHC    1:CYS_10:HB1    -1.0000 3.7332  3.7332  50.000  50.000  1000.0  3.1110
1:HEM_0C:HHC    1:CYS_10:HB2    -1.0000 4.4136  4.4136  50.000  50.000  1000.0  3.6780
1:HEM_0C:HHC    1:CYS_10:HN     -1.0000 5.0000  4.4400  50.000  50.000  1000.0  3.7000
1:HEM_0C:HHC    1:HIS_14:HD2    -1.0000 3.8412  3.8412  50.000  50.000  1000.0  3.2010
1:HEM_0C:HHC    1:SER_9:HB*     -1.0000 7.0600  6.0600  50.000  50.000  1000.0  5.0500
1:HEM_0C:HHA    1:ALA_26:HA     -1.0000 6.0000  5.0892  50.000  50.000  1000.0  4.2410
1:HEM_0C:HHA    1:HIS_14:HE1    -1.0000 4.4580  4.4580  50.000  50.000  1000.0  3.7150
1:HEM_0C:HHA    1:LYS_27:HN     -1.0000 5.7084  5.7084  50.000  50.000  1000.0  4.7570
1:HEM_0C:HHA    1:PRO_28:HA     -1.0000 5.5000  3.2868  50.000  50.000  1000.0  2.7390
1:HEM_0C:HHA    1:TYR_44:HE*    -1.0000 6.1436  4.1436  50.000  50.000  1000.0  3.4530
1:HEM_0C:HHA    1:TYR_49:HE*    -1.0000 7.5000  5.2164  50.000  50.000  1000.0  4.3470
1:HEM_0C:HHB    1:LEU_37:HD1*   -1.0000 6.5392  5.2392  50.000  50.000  1000.0  4.3660
1:HEM_0C:HHB    1:LEU_72:HD1*   -1.0000 7.4380  6.4380  50.000  50.000  1000.0  5.3650
1:HEM_0C:HHB    1:LEU_72:HD2*   -1.0000 6.9832  5.9832  50.000  50.000  1000.0  4.9860
1:HEM_0C:HHB    1:MET_41:HE*    -1.0000 5.9992  4.9992  50.000  50.000  1000.0  4.1660
1:HEM_0C:HHB    1:MET_41:HG1    -1.0000 5.2100  5.0100  50.000  50.000  1000.0  4.1750
1:HEM_0C:HHB    1:MET_76:HE*    -1.0000 5.0000  3.9972  50.000  50.000  1000.0  3.3310
1:HEM_0C:HHB    1:VAL_29:HG1*   -1.0000 7.4140  6.4140  50.000  50.000  1000.0  5.3450
1:HEM_0C:HHB    1:VAL_29:HG2*   -1.0000 5.7268  4.7268  50.000  50.000  1000.0  3.9390
1:HEM_0C:HHB    1:MET_41:HB2    -1.0000 4.5000  3.8904  50.000  50.000  1000.0  3.2420
1:HEM_0C:HHB    1:VAL_61:HG2*   -1.0000 8.2216  7.2216  50.000  50.000  1000.0  6.0180
1:GLY_3:HA2     1:LEU_72:HA     -1.0000 4.5120  4.5120  50.000  50.000  1000.0  3.7600
1:GLY_3:HN      1:ALA_4:HB*     -1.0000 7.1380  6.1380  50.000  50.000  1000.0  5.1150
1:GLY_3:HN      1:ALA_4:HN      -1.0000 3.5000  3.4776  50.000  50.000  1000.0  2.8980
1:GLY_3:HN      1:ALA_71:HB*    -1.0000 5.1148  4.1148  50.000  50.000  1000.0  3.4290
1:GLY_3:HN      1:ASP_2:HA      -1.0000 2.9088  2.9088  50.000  50.000  1000.0  2.4240
1:GLY_3:HN      1:GLU_68:HB1    -1.0000 5.0832  5.0832  50.000  50.000  1000.0  4.2360
1:GLY_3:HN      1:LEU_6:HD1*    -1.0000 6.2896  5.2896  50.000  50.000  1000.0  4.4080
1:ALA_4:HN      1:ALA_5:HN      -1.0000 3.1020  3.1020  50.000  50.000  1000.0  2.5850
1:ALA_4:HN      1:ALA_71:HB*    -1.0000 6.9280  5.9280  50.000  50.000  1000.0  4.9400
1:ALA_4:HN      1:ASP_2:HA      -1.0000 4.7196  4.7196  50.000  50.000  1000.0  3.9330
1:ALA_4:HN      1:GLY_3:HA1     -1.0000 3.6660  3.6660  50.000  50.000  1000.0  3.0550
1:ALA_4:HN      1:GLY_3:HA2     -1.0000 4.0356  4.0356  50.000  50.000  1000.0  3.3630
1:ALA_4:HN      1:TYR_75:HD*    -1.0000 6.6308  4.6308  50.000  50.000  1000.0  3.8590
1:ALA_4:HN      1:TYR_75:HE*    -1.0000 7.0148  5.0148  50.000  50.000  1000.0  4.1790
1:ALA_5:HN      1:ALA_4:HA      -1.0000 3.8748  3.8748  50.000  50.000  1000.0  3.2290
1:ALA_5:HN      1:ALA_4:HB*     -1.0000 4.7392  3.7392  50.000  50.000  1000.0  3.1160
1:LEU_6:HD1*    1:ALA_71:HB*    -1.0000 13.849  11.849  50.000  50.000  1000.0  9.8740
1:LEU_6:HD1*    1:GLU_68:HA     -1.0000 5.4112  4.4112  50.000  50.000  1000.0  3.6760
1:LEU_6:HD1*    1:GLU_68:HG2    -1.0000 5.6128  4.6128  50.000  50.000  1000.0  3.8440
1:LEU_6:HD1*    1:GLY_3:HA2     -1.0000 7.5460  6.5460  50.000  50.000  1000.0  5.4550
1:LEU_6:HD1*    1:LEU_6:HA      -1.0000 4.3420  3.3420  50.000  50.000  1000.0  2.7850
1:LEU_6:HD1*    1:LEU_6:HB1     -1.0000 4.0536  4.0536  50.000  50.000  1000.0  3.3780
1:LEU_6:HD1*    1:LEU_6:HB2     -1.0000 4.2400  3.2400  50.000  50.000  1000.0  2.7000
1:LEU_6:HD2*    1:GLU_68:HA     -1.0000 5.6836  4.6836  50.000  50.000  1000.0  3.9030
1:LEU_6:HD2*    1:GLU_68:HG2    -1.0000 5.6368  4.6368  50.000  50.000  1000.0  3.8640
1:LEU_6:HG      1:LEU_6:HA      -1.0000 2.9952  2.9952  50.000  50.000  1000.0  2.4960
1:LEU_6:HN      1:ALA_4:HA      -1.0000 4.5708  4.5708  50.000  50.000  1000.0  3.8090
1:LEU_6:HN      1:ALA_4:HN      -1.0000 4.6656  4.6656  50.000  50.000  1000.0  3.8880
1:LEU_6:HN      1:ALA_5:HA      -1.0000 4.5276  4.5276  50.000  50.000  1000.0  3.7730
1:LEU_6:HN      1:ALA_5:HB*     -1.0000 4.9156  3.9156  50.000  50.000  1000.0  3.2630
1:LEU_6:HN      1:ALA_5:HN      -1.0000 3.1296  3.1296  50.000  50.000  1000.0  2.6080
1:LEU_6:HN      1:GLY_3:HA2     -1.0000 6.0000  3.9084  50.000  50.000  1000.0  3.2570
1:LEU_6:HN      1:LEU_6:HB1     -1.0000 3.0564  3.0564  50.000  50.000  1000.0  2.5470
1:LEU_6:HN      1:LEU_6:HB2     -1.0000 3.7500  3.4608  50.000  50.000  1000.0  2.8840
1:LEU_6:HN      1:LEU_6:HD1*    -1.0000 4.9888  3.9888  50.000  50.000  1000.0  3.3240
1:LEU_6:HN      1:LEU_6:HG      -1.0000 3.5000  2.8188  50.000  50.000  1000.0  2.3490
1:TYR_7:HD*     1:CYS_10:HB2    -1.0000 5.8976  3.8976  50.000  50.000  1000.0  3.2480
1:TYR_7:HD*     1:HEM_0C:HMB*   -1.0000 7.6632  4.6632  50.000  50.000  1000.0  3.8860
1:TYR_7:HD*     1:ILE_11:HD1*   -1.0000 7.8564  4.8564  50.000  50.000  1000.0  4.0470
1:TYR_7:HD*     1:ILE_11:HG2*   -1.0000 9.1164  6.1164  50.000  50.000  1000.0  5.0970
1:TYR_7:HD*     1:LEU_79:HD2*   -1.0000 9.2988  6.2988  50.000  50.000  1000.0  5.2490
1:TYR_7:HD*     1:LEU_72:HD1*   -1.0000 7.0176  4.0176  50.000  50.000  1000.0  3.3480
1:TYR_7:HD*     1:LEU_72:HD2*   -1.0000 9.1992  6.1992  50.000  50.000  1000.0  5.1660
1:TYR_7:HD*     1:ILE_11:HG11   -1.0000 6.4472  4.4472  50.000  50.000  1000.0  3.7060
1:TYR_7:HD*     1:MET_76:HG2    -1.0000 7.6172  5.6172  50.000  50.000  1000.0  4.6810
1:TYR_7:HD*     1:TYR_75:HD*    -1.0000 7.8540  4.8540  50.000  50.000  1000.0  4.0450
1:TYR_7:HD*     1:TYR_75:HE*    -1.0000 7.0164  4.0164  50.000  50.000  1000.0  3.3470
1:TYR_7:HD*     1:TYR_7:HA      -1.0000 5.5076  3.5076  50.000  50.000  1000.0  2.9230
1:TYR_7:HE*     1:ALA_16:HA     -1.0000 5.9672  3.9672  50.000  50.000  1000.0  3.3060
1:TYR_7:HE*     1:CYS_10:HB1    -1.0000 6.3944  4.3944  50.000  50.000  1000.0  3.6620
1:TYR_7:HE*     1:CYS_10:HB2    -1.0000 3.9372  3.9372  50.000  50.000  1000.0  3.2810
1:TYR_7:HE*     1:HEM_0C:HMB*   -1.0000 9.3336  6.3336  50.000  50.000  1000.0  5.2780
1:TYR_7:HE*     1:ILE_11:HD1*   -1.0000 8.5956  5.5956  50.000  50.000  1000.0  4.6630
1:TYR_7:HE*     1:ILE_11:HG2*   -1.0000 8.6676  5.6676  50.000  50.000  1000.0  4.7230
1:TYR_7:HE*     1:LEU_79:HD2*   -1.0000 8.7516  5.7516  50.000  50.000  1000.0  4.7930
1:TYR_7:HE*     1:LEU_72:HD1*   -1.0000 9.5208  6.5208  50.000  50.000  1000.0  5.4340
1:TYR_7:HE*     1:ILE_11:HG11   -1.0000 6.2648  4.2648  50.000  50.000  1000.0  3.5540
1:TYR_7:HE*     1:MET_76:HG2    -1.0000 7.0724  5.0724  50.000  50.000  1000.0  4.2270
1:TYR_7:HN      1:ALA_4:HA      -1.0000 4.0000  3.4404  50.000  50.000  1000.0  2.8670
1:TYR_7:HN      1:ALA_5:HN      -1.0000 4.9536  4.9536  50.000  50.000  1000.0  4.1280
1:TYR_7:HN      1:LEU_6:HA      -1.0000 3.9912  3.9912  50.000  50.000  1000.0  3.3260
1:TYR_7:HN      1:LEU_6:HB1     -1.0000 3.2652  3.2652  50.000  50.000  1000.0  2.7210
1:TYR_7:HN      1:LEU_6:HD1*    -1.0000 5.8060  4.8060  50.000  50.000  1000.0  4.0050
1:TYR_7:HN      1:LEU_6:HG      -1.0000 5.0000  3.6408  50.000  50.000  1000.0  3.0340
1:TYR_7:HN      1:LEU_6:HN      -1.0000 6.0480  6.0480  50.000  50.000  1000.0  5.0400
1:TYR_7:HN      1:LEU_72:HD1*   -1.0000 4.9084  3.9084  50.000  50.000  1000.0  3.2570
1:TYR_7:HN      1:LYS_8:HN      -1.0000 3.2820  3.2820  50.000  50.000  1000.0  2.7350
1:TYR_7:HN      1:TYR_7:HB1     -1.0000 3.0036  3.0036  50.000  50.000  1000.0  2.5030
1:TYR_7:HN      1:TYR_7:HB2     -1.0000 3.3000  2.9232  50.000  50.000  1000.0  2.4360
1:TYR_7:HN      1:TYR_7:HD*     -1.0000 6.4628  4.4628  50.000  50.000  1000.0  3.7190
1:LYS_8:HD*     1:LYS_8:HA      -1.0000 4.6768  3.6768  50.000  50.000  1000.0  3.0640
1:LYS_8:HG1     1:ALA_5:HA      -1.0000 4.1292  4.1292  50.000  50.000  1000.0  3.4410
1:LYS_8:HN      1:ALA_5:HA      -1.0000 5.2008  5.2008  50.000  50.000  1000.0  4.3340
1:LYS_8:HN      1:LEU_6:HA      -1.0000 4.5876  4.5876  50.000  50.000  1000.0  3.8230
1:LYS_8:HN      1:LYS_8:HB1     -1.0000 3.7500  2.8524  50.000  50.000  1000.0  2.3770
1:LYS_8:HN      1:LYS_8:HB2     -1.0000 3.0600  3.0600  50.000  50.000  1000.0  2.5500
1:LYS_8:HN      1:LYS_8:HG1     -1.0000 3.1332  3.1332  50.000  50.000  1000.0  2.6110
1:LYS_8:HN      1:LYS_8:HG2     -1.0000 3.6624  3.6624  50.000  50.000  1000.0  3.0520
1:LYS_8:HN      1:TYR_7:HA      -1.0000 3.9864  3.9864  50.000  50.000  1000.0  3.3220
1:LYS_8:HN      1:TYR_7:HB1     -1.0000 4.7472  4.7472  50.000  50.000  1000.0  3.9560
1:LYS_8:HN      1:TYR_7:HB2     -1.0000 3.6288  3.6288  50.000  50.000  1000.0  3.0240
1:SER_9:HN      1:LYS_8:HA      -1.0000 3.7224  3.7224  50.000  50.000  1000.0  3.1020
1:SER_9:HN      1:LYS_8:HB2     -1.0000 4.1400  4.1400  50.000  50.000  1000.0  3.4500
1:SER_9:HN      1:LYS_8:HN      -1.0000 3.4164  3.4164  50.000  50.000  1000.0  2.8470
1:CYS_10:HA     1:HEM_0C:HAB    -1.0000 3.9312  3.9312  50.000  50.000  1000.0  3.2760
1:CYS_10:HB1    1:CYS_10:HA     -1.0000 3.0744  3.0744  50.000  50.000  1000.0  2.5620
1:CYS_10:HB1    1:HEM_0C:HAB    -1.0000 3.9120  3.9120  50.000  50.000  1000.0  3.2600
1:CYS_10:HN     1:CYS_10:HB1    -1.0000 3.7500  3.7212  50.000  50.000  1000.0  3.1010
1:CYS_10:HN     1:CYS_10:HB2    -1.0000 3.0504  3.0504  50.000  50.000  1000.0  2.5420
1:CYS_10:HN     1:HEM_0C:HAB    -1.0000 4.1016  4.1016  50.000  50.000  1000.0  3.4180
1:CYS_10:HN     1:ILE_11:HA     -1.0000 5.0000  4.6164  50.000  50.000  1000.0  3.8470
1:CYS_10:HN     1:ILE_11:HN     -1.0000 2.8524  2.8524  50.000  50.000  1000.0  2.3770
1:CYS_10:HN     1:SER_9:HA      -1.0000 4.2072  4.2072  50.000  50.000  1000.0  3.5060
1:CYS_10:HN     1:SER_9:HB*     -1.0000 5.4916  4.4916  50.000  50.000  1000.0  3.7430
1:CYS_10:HN     1:SER_9:HN      -1.0000 3.2544  3.2544  50.000  50.000  1000.0  2.7120
1:CYS_10:HN     1:TYR_7:HA      -1.0000 3.8688  3.8688  50.000  50.000  1000.0  3.2240
1:CYS_10:HN     1:TYR_7:HD*     -1.0000 7.1888  5.1888  50.000  50.000  1000.0  4.3240
1:ILE_11:HD1*   1:ILE_11:HB     -1.0000 4.1260  3.1260  50.000  50.000  1000.0  2.6050
1:ILE_11:HD1*   1:LYS_8:HA      -1.0000 4.8676  3.8676  50.000  50.000  1000.0  3.2230
1:ILE_11:HG2*   1:ILE_11:HA     -1.0000 7.2112  6.2112  50.000  50.000  1000.0  5.1760
1:ILE_11:HG2*   1:LYS_8:HA      -1.0000 7.2556  6.2556  50.000  50.000  1000.0  5.2130
1:ILE_11:HN     1:CYS_10:HA     -1.0000 4.3356  4.3356  50.000  50.000  1000.0  3.6130
1:ILE_11:HN     1:CYS_10:HB2    -1.0000 3.0192  3.0192  50.000  50.000  1000.0  2.5160
1:ILE_11:HN     1:ILE_11:HD1*   -1.0000 6.0988  5.0988  50.000  50.000  1000.0  4.2490
1:ILE_11:HN     1:ILE_11:HG12   -1.0000 3.6120  3.6120  50.000  50.000  1000.0  3.0100
1:ILE_11:HN     1:ILE_11:HG2*   -1.0000 4.9084  3.9084  50.000  50.000  1000.0  3.2570
1:ILE_11:HN     1:LYS_8:HA      -1.0000 3.9300  3.9300  50.000  50.000  1000.0  3.2750
1:CYS_13:HN     1:CYS_13:HB1    -1.0000 4.1016  4.1016  50.000  50.000  1000.0  3.4180
1:CYS_13:HN     1:CYS_13:HB2    -1.0000 3.3648  3.3648  50.000  50.000  1000.0  2.8040
1:CYS_13:HN     1:GLY_12:HA1    -1.0000 4.2696  4.2696  50.000  50.000  1000.0  3.5580
1:CYS_13:HN     1:GLY_12:HA2    -1.0000 4.0548  4.0548  50.000  50.000  1000.0  3.3790
1:CYS_13:HN     1:HIS_14:HD2    -1.0000 4.0000  3.8196  50.000  50.000  1000.0  3.1830
1:CYS_13:HN     1:ILE_11:HA     -1.0000 4.0332  4.0332  50.000  50.000  1000.0  3.3610
1:CYS_13:HN     1:ILE_11:HB     -1.0000 5.1876  5.1876  50.000  50.000  1000.0  4.3230
1:HIS_14:HD1    1:ALA_22:HB*    -1.0000 5.6728  4.6728  50.000  50.000  1000.0  3.8940
1:HIS_14:HD1    1:HIS_14:HA     -1.0000 3.3108  3.3108  50.000  50.000  1000.0  2.7590
1:HIS_14:HD1    1:HIS_14:HB1    -1.0000 4.0000  3.0120  50.000  50.000  1000.0  2.5100
1:HIS_14:HD1    1:HIS_14:HB2    -1.0000 3.9396  3.9396  50.000  50.000  1000.0  3.2830
1:HIS_14:HD1    1:VAL_29:HG2*   -1.0000 4.9876  3.9876  50.000  50.000  1000.0  3.3230
1:HIS_14:HD1    1:VAL_29:HN     -1.0000 4.6164  4.6164  50.000  50.000  1000.0  3.8470
1:HIS_14:HD2    1:CYS_10:HA     -1.0000 3.9372  3.9372  50.000  50.000  1000.0  3.2810
1:HIS_14:HD2    1:CYS_13:HB2    -1.0000 4.2144  4.2144  50.000  50.000  1000.0  3.5120
1:HIS_14:HD2    1:HIS_14:HB1    -1.0000 5.0076  5.0076  50.000  50.000  1000.0  4.1730
1:HIS_14:HD2    1:HIS_14:HB2    -1.0000 3.9720  3.9720  50.000  50.000  1000.0  3.3100
1:HIS_14:HN     1:CYS_13:HA     -1.0000 3.7716  3.7716  50.000  50.000  1000.0  3.1430
1:HIS_14:HN     1:CYS_13:HB2    -1.0000 3.5412  3.5412  50.000  50.000  1000.0  2.9510
1:HIS_14:HN     1:HIS_14:HB1    -1.0000 4.2108  4.2108  50.000  50.000  1000.0  3.5090
1:HIS_14:HN     1:HIS_14:HB2    -1.0000 3.3168  3.3168  50.000  50.000  1000.0  2.7640
1:HIS_14:HN     1:HIS_14:HD2    -1.0000 3.7008  3.7008  50.000  50.000  1000.0  3.0840
1:HIS_14:HN     1:ILE_11:HA     -1.0000 3.7716  3.7716  50.000  50.000  1000.0  3.1430
1:GLY_15:HN     1:HIS_14:HA     -1.0000 4.2696  4.2696  50.000  50.000  1000.0  3.5580
1:GLY_15:HN     1:HIS_14:HB2    -1.0000 3.5868  3.5868  50.000  50.000  1000.0  2.9890
1:GLY_15:HN     1:HIS_14:HN     -1.0000 2.9976  2.9976  50.000  50.000  1000.0  2.4980
1:GLY_15:HN     1:ILE_11:HA     -1.0000 3.2196  3.2196  50.000  50.000  1000.0  2.6830
1:GLY_15:HN     1:ILE_11:HG2*   -1.0000 5.9920  4.9920  50.000  50.000  1000.0  4.1600
1:GLY_15:HN     1:LYS_20:HB*    -1.0000 5.8168  4.8168  50.000  50.000  1000.0  4.0140
1:ASP_17:HN     1:ALA_16:HA     -1.0000 4.8744  4.8744  50.000  50.000  1000.0  4.0620
1:ASP_17:HN     1:ALA_16:HB*    -1.0000 4.6656  4.6656  50.000  50.000  1000.0  3.8880
1:ASP_17:HN     1:GLY_18:HN     -1.0000 3.2148  3.2148  50.000  50.000  1000.0  2.6790
1:ASP_17:HN     1:SER_19:HN     -1.0000 4.4820  4.4820  50.000  50.000  1000.0  3.7350
1:GLY_18:HN     1:ASP_17:HA     -1.0000 3.8868  3.8868  50.000  50.000  1000.0  3.2390
1:GLY_18:HN     1:ASP_17:HB1    -1.0000 4.2948  4.2948  50.000  50.000  1000.0  3.5790
1:GLY_18:HN     1:GLY_15:HA1    -1.0000 5.0000  4.0428  50.000  50.000  1000.0  3.3690
1:GLY_18:HN     1:LYS_30:HA     -1.0000 5.0000  4.0644  50.000  50.000  1000.0  3.3870
1:SER_19:HN     1:GLY_18:HN     -1.0000 3.5820  3.5820  50.000  50.000  1000.0  2.9850
1:SER_19:HN     1:LYS_20:HN     -1.0000 3.3624  3.3624  50.000  50.000  1000.0  2.8020
1:SER_19:HN     1:SER_19:HB1    -1.0000 3.7500  3.7428  50.000  50.000  1000.0  3.1190
1:SER_19:HN     1:SER_19:HB2    -1.0000 3.3156  3.3156  50.000  50.000  1000.0  2.7630
1:LYS_20:HB*    1:HIS_14:HA     -1.0000 5.6536  4.6536  50.000  50.000  1000.0  3.8780
1:LYS_20:HG1    1:LYS_20:HA     -1.0000 6.0480  6.0480  50.000  50.000  1000.0  5.0400
1:LYS_20:HG2    1:LYS_20:HA     -1.0000 4.0812  4.0812  50.000  50.000  1000.0  3.4010
1:LYS_20:HG2    1:LYS_20:HE*    -1.0000 5.1136  4.1136  50.000  50.000  1000.0  3.4280
1:LYS_20:HN     1:GLY_15:HA1    -1.0000 4.8428  4.3428  50.000  50.000  1000.0  3.6190
1:LYS_20:HN     1:HIS_14:HA     -1.0000 4.2108  4.2108  50.000  50.000  1000.0  3.5090
1:LYS_20:HN     1:LYS_20:HG1    -1.0000 3.7440  3.7440  50.000  50.000  1000.0  3.1200
1:LYS_20:HN     1:LYS_20:HG2    -1.0000 3.9396  3.9396  50.000  50.000  1000.0  3.2830
1:LYS_20:HN     1:SER_19:HA     -1.0000 3.9696  3.9696  50.000  50.000  1000.0  3.3080
1:ALA_21:HN     1:LYS_20:HA     -1.0000 3.1620  3.1620  50.000  50.000  1000.0  2.6350
1:ALA_22:HB*    1:ALA_26:HB*    -1.0000 6.5020  5.5020  50.000  50.000  1000.0  4.5850
1:ALA_22:HB*    1:CYS_13:HB2    -1.0000 4.5432  4.5432  50.000  50.000  1000.0  3.7860
1:ALA_22:HB*    1:LYS_20:HG2    -1.0000 5.9664  5.9664  50.000  50.000  1000.0  4.9720
1:ALA_22:HB*    1:MET_23:HG1    -1.0000 4.9680  4.9680  50.000  50.000  1000.0  4.1400
1:ALA_22:HN     1:ALA_21:HA     -1.0000 2.9748  2.9748  50.000  50.000  1000.0  2.4790
1:ALA_22:HN     1:ALA_21:HB*    -1.0000 5.6656  4.6656  50.000  50.000  1000.0  3.8880
1:ALA_22:HN     1:ALA_26:HB*    -1.0000 5.4184  4.4184  50.000  50.000  1000.0  3.6820
1:MET_23:HN     1:ALA_22:HA     -1.0000 3.1740  3.1740  50.000  50.000  1000.0  2.6450
1:MET_23:HN     1:ALA_22:HB*    -1.0000 5.2288  4.2288  50.000  50.000  1000.0  3.5240
1:MET_23:HN     1:HEM_0C:HAC    -1.0000 3.0000  2.6760  50.000  50.000  1000.0  2.2300
1:MET_23:HN     1:MET_23:HG1    -1.0000 3.1296  3.1296  50.000  50.000  1000.0  2.6080
1:SER_25:HN     1:GLY_24:HA1    -1.0000 4.0476  4.0476  50.000  50.000  1000.0  3.3730
1:ALA_26:HN     1:ALA_21:HA     -1.0000 3.8892  3.8892  50.000  50.000  1000.0  3.2410
1:ALA_26:HN     1:ALA_22:HB*    -1.0000 6.3376  5.3376  50.000  50.000  1000.0  4.4480
1:ALA_26:HN     1:ALA_22:HN     -1.0000 4.8612  4.8612  50.000  50.000  1000.0  4.0510
1:ALA_26:HN     1:SER_25:HB2    -1.0000 4.3236  4.3236  50.000  50.000  1000.0  3.6030
1:LYS_27:HB1    1:GLN_32:HG2    -1.0000 5.0000  3.4596  50.000  50.000  1000.0  2.8830
1:LYS_27:HN     1:ALA_26:HA     -1.0000 2.8692  2.8692  50.000  50.000  1000.0  2.3910
1:LYS_27:HN     1:ALA_26:HN     -1.0000 5.0988  5.0988  50.000  50.000  1000.0  4.2490
1:LYS_27:HN     1:HEM_0C:HBA1   -1.0000 3.8520  3.8520  50.000  50.000  1000.0  3.2100
1:LYS_27:HN     1:LYS_27:HB1    -1.0000 3.0000  2.7084  50.000  50.000  1000.0  2.2570
1:LYS_27:HN     1:LYS_27:HG1    -1.0000 4.0000  3.5304  50.000  50.000  1000.0  2.9420
1:LYS_27:HN     1:LYS_27:HG2    -1.0000 3.5000  3.0372  50.000  50.000  1000.0  2.5310
1:VAL_29:HG1*   1:HEM_0C:HAD2   -1.0000 5.7472  4.7472  50.000  50.000  1000.0  3.9560
1:VAL_29:HG1*   1:MET_76:HG2    -1.0000 7.3528  6.3528  50.000  50.000  1000.0  5.2940
1:VAL_29:HG1*   1:VAL_29:HA     -1.0000 5.4676  4.4676  50.000  50.000  1000.0  3.7230
1:VAL_29:HG2*   1:HEM_0C:HBA2   -1.0000 7.1212  6.1212  50.000  50.000  1000.0  5.1010
1:VAL_29:HG2*   1:HEM_0C:HMA*   -1.0000 6.4964  4.4964  50.000  50.000  1000.0  3.7470
1:VAL_29:HG2*   1:LEU_37:HD1*   -1.0000 5.5416  5.5416  50.000  50.000  1000.0  4.6180
1:VAL_29:HG2*   1:VAL_29:HA     -1.0000 4.5736  3.5736  50.000  50.000  1000.0  2.9780
1:VAL_29:HN     1:LEU_37:HD1*   -1.0000 7.1272  6.1272  50.000  50.000  1000.0  5.1060
1:VAL_29:HN     1:LYS_30:HN     -1.0000 3.2064  3.2064  50.000  50.000  1000.0  2.6720
1:VAL_29:HN     1:PRO_28:HA     -1.0000 2.9808  2.9808  50.000  50.000  1000.0  2.4840
1:VAL_29:HN     1:PRO_28:HB1    -1.0000 4.9728  4.9728  50.000  50.000  1000.0  4.1440
1:VAL_29:HN     1:PRO_28:HB2    -1.0000 4.3956  4.3956  50.000  50.000  1000.0  3.6630
1:VAL_29:HN     1:VAL_29:HB     -1.0000 3.9456  3.9456  50.000  50.000  1000.0  3.2880
1:VAL_29:HN     1:VAL_29:HG1*   -1.0000 4.6960  3.6960  50.000  50.000  1000.0  3.0800
1:VAL_29:HN     1:VAL_29:HG2*   -1.0000 4.8340  3.8340  50.000  50.000  1000.0  3.1950
1:LYS_30:HB2    1:SER_19:HA     -1.0000 5.3880  5.3880  50.000  50.000  1000.0  4.4900
1:LYS_30:HB2    1:VAL_29:HB     -1.0000 5.0000  4.1100  50.000  50.000  1000.0  3.4250
1:LYS_30:HN     1:GLY_18:HA*    -1.0000 5.4424  4.4424  50.000  50.000  1000.0  3.7020
1:LYS_30:HN     1:LEU_79:HD2*   -1.0000 7.1908  6.1908  50.000  50.000  1000.0  5.1590
1:LYS_30:HN     1:LYS_30:HB1    -1.0000 3.1332  3.1332  50.000  50.000  1000.0  2.6110
1:LYS_30:HN     1:LYS_30:HB2    -1.0000 3.0432  3.0432  50.000  50.000  1000.0  2.5360
1:LYS_30:HN     1:LYS_30:HG*    -1.0000 5.8168  4.8168  50.000  50.000  1000.0  4.0140
1:LYS_30:HN     1:PRO_28:HA     -1.0000 5.1288  5.1288  50.000  50.000  1000.0  4.2740
1:LYS_30:HN     1:PRO_28:HB1    -1.0000 4.9728  4.9728  50.000  50.000  1000.0  4.1440
1:LYS_30:HN     1:PRO_28:HB2    -1.0000 3.6660  3.6660  50.000  50.000  1000.0  3.0550
1:LYS_30:HN     1:SER_19:HA     -1.0000 4.7400  4.7400  50.000  50.000  1000.0  3.9500
1:LYS_30:HN     1:VAL_29:HB     -1.0000 5.3544  5.3544  50.000  50.000  1000.0  4.4620
1:LYS_30:HN     1:VAL_29:HG1*   -1.0000 5.0332  4.0332  50.000  50.000  1000.0  3.3610
1:LYS_30:HN     1:VAL_29:HG2*   -1.0000 6.5020  5.5020  50.000  50.000  1000.0  4.5850
1:GLY_31:HN     1:SER_77:HA     -1.0000 5.0000  4.1916  50.000  50.000  1000.0  3.4930
1:GLY_31:HN     1:GLN_32:HN     -1.0000 3.1788  3.1788  50.000  50.000  1000.0  2.6490
1:GLY_31:HN     1:LEU_79:HB1    -1.0000 5.0000  4.3236  50.000  50.000  1000.0  3.6030
1:GLY_31:HN     1:LYS_30:HA     -1.0000 3.5000  2.5680  50.000  50.000  1000.0  2.1400
1:GLY_31:HN     1:LYS_30:HB1    -1.0000 4.5332  4.0332  50.000  50.000  1000.0  3.3610
1:GLY_31:HN     1:LYS_30:HB2    -1.0000 4.5000  3.4248  50.000  50.000  1000.0  2.8540
1:GLY_31:HN     1:LYS_30:HG*    -1.0000 5.0908  4.0908  50.000  50.000  1000.0  3.4090
1:GLY_31:HN     1:LYS_30:HN     -1.0000 4.4628  4.4628  50.000  50.000  1000.0  3.7190
1:GLN_32:HE21   1:HEM_0C:HBA1   -1.0000 4.1628  4.1628  50.000  50.000  1000.0  3.4690
1:GLN_32:HE21   1:HEM_0C:HBA2   -1.0000 4.0000  3.5976  50.000  50.000  1000.0  2.9980
1:GLN_32:HE21   1:LEU_37:HD1*   -1.0000 5.6104  4.6104  50.000  50.000  1000.0  3.8420
1:GLN_32:HE21   1:LYS_27:HB1    -1.0000 3.3804  3.3804  50.000  50.000  1000.0  2.8170
1:GLN_32:HE21   1:VAL_29:HA     -1.0000 3.3156  3.3156  50.000  50.000  1000.0  2.7630
1:GLN_32:HE21   1:VAL_29:HG2*   -1.0000 5.5020  5.5020  50.000  50.000  1000.0  4.5850
1:GLN_32:HE22   1:LEU_37:HD1*   -1.0000 6.1492  5.1492  50.000  50.000  1000.0  4.2910
1:GLN_32:HE22   1:LYS_27:HG1    -1.0000 5.0000  3.9048  50.000  50.000  1000.0  3.2540
1:GLN_32:HE22   1:VAL_29:HA     -1.0000 3.0504  3.0504  50.000  50.000  1000.0  2.5420
1:GLN_32:HE22   1:VAL_29:HG2*   -1.0000 6.4372  5.4372  50.000  50.000  1000.0  4.5310
1:GLN_32:HG1    1:GLN_32:HA     -1.0000 3.5276  3.0276  50.000  50.000  1000.0  2.5230
1:GLN_32:HG1    1:VAL_29:HA     -1.0000 4.6788  4.6788  50.000  50.000  1000.0  3.8990
1:GLN_32:HG2    1:GLN_32:HG1    -1.0000 2.3868  2.3868  50.000  50.000  1000.0  1.9890
1:GLN_32:HN     1:GLN_32:HG1    -1.0000 3.0156  3.0156  50.000  50.000  1000.0  2.5130
1:GLN_32:HN     1:GLN_32:HG2    -1.0000 3.9080  3.4080  50.000  50.000  1000.0  2.8400
1:GLN_32:HN     1:GLY_31:HA2    -1.0000 3.5000  3.0840  50.000  50.000  1000.0  2.5700
1:GLN_32:HN     1:LEU_37:HD1*   -1.0000 6.0064  5.0064  50.000  50.000  1000.0  4.1720
1:GLN_32:HN     1:LEU_37:HD2*   -1.0000 5.6020  4.6020  50.000  50.000  1000.0  3.8350
1:GLN_32:HN     1:VAL_29:HA     -1.0000 3.8324  3.6324  50.000  50.000  1000.0  3.0270
1:GLY_33:HN     1:GLN_32:HA     -1.0000 3.2000  2.6820  50.000  50.000  1000.0  2.2350
1:GLY_33:HN     1:GLN_32:HB*    -1.0000 5.0896  4.0896  50.000  50.000  1000.0  3.4080
1:GLY_33:HN     1:GLN_32:HG1    -1.0000 4.0000  3.0252  50.000  50.000  1000.0  2.5210
1:GLY_33:HN     1:GLN_32:HG2    -1.0000 4.1312  3.6312  50.000  50.000  1000.0  3.0260
1:GLY_33:HN     1:GLN_32:HN     -1.0000 4.5276  4.5276  50.000  50.000  1000.0  3.7730
1:GLY_33:HN     1:GLU_36:HB1    -1.0000 4.1076  4.1076  50.000  50.000  1000.0  3.4230
1:GLY_33:HN     1:GLU_36:HB2    -1.0000 4.1544  4.1544  50.000  50.000  1000.0  3.4620
1:GLY_33:HN     1:GLU_36:HG1    -1.0000 4.3548  4.3548  50.000  50.000  1000.0  3.6290
1:GLY_33:HN     1:LEU_37:HD2*   -1.0000 5.5504  4.5504  50.000  50.000  1000.0  3.7920
1:ALA_34:HB*    1:ASP_74:HA     -1.0000 5.2456  4.2456  50.000  50.000  1000.0  3.5380
1:ALA_34:HB*    1:GLY_33:HA2    -1.0000 5.2000  3.0744  50.000  50.000  1000.0  2.5620
1:ALA_34:HN     1:GLU_36:HN     -1.0000 4.5460  4.1460  50.000  50.000  1000.0  3.4550
1:ALA_34:HN     1:LEU_37:HN     -1.0000 4.6952  4.1952  50.000  50.000  1000.0  3.4960
1:GLU_35:HN     1:ALA_34:HA     -1.0000 4.7052  4.7052  50.000  50.000  1000.0  3.9210
1:GLU_35:HN     1:ALA_34:HB*    -1.0000 4.6516  3.6516  50.000  50.000  1000.0  3.0430
1:GLU_35:HN     1:GLU_35:HB1    -1.0000 3.5000  3.3084  50.000  50.000  1000.0  2.7570
1:GLU_35:HN     1:GLU_35:HB2    -1.0000 3.2000  3.1368  50.000  50.000  1000.0  2.6140
1:GLU_35:HN     1:GLU_35:HG*    -1.0000 5.7052  4.7052  50.000  50.000  1000.0  3.9210
1:GLU_35:HN     1:GLU_36:HN     -1.0000 3.1740  3.1740  50.000  50.000  1000.0  2.6450
1:GLU_35:HN     1:LEU_37:HN     -1.0000 4.2072  4.2072  50.000  50.000  1000.0  3.5060
1:GLU_36:HG2    1:GLU_36:HA     -1.0000 3.4164  3.4164  50.000  50.000  1000.0  2.8470
1:GLU_36:HN     1:ALA_34:HA     -1.0000 4.6788  4.6788  50.000  50.000  1000.0  3.8990
1:GLU_36:HN     1:GLU_35:HB1    -1.0000 3.2196  3.2196  50.000  50.000  1000.0  2.6830
1:GLU_36:HN     1:GLU_35:HG*    -1.0000 6.3712  5.3712  50.000  50.000  1000.0  4.4760
1:GLU_36:HN     1:GLU_36:HB1    -1.0000 2.9892  2.9892  50.000  50.000  1000.0  2.4910
1:GLU_36:HN     1:GLU_36:HB2    -1.0000 3.5000  2.9916  50.000  50.000  1000.0  2.4930
1:GLU_36:HN     1:GLU_36:HG1    -1.0000 4.0500  4.0500  50.000  50.000  1000.0  3.3750
1:GLU_36:HN     1:GLU_36:HG2    -1.0000 4.7856  4.7856  50.000  50.000  1000.0  3.9880
1:LEU_37:HB1    1:ALA_34:HA     -1.0000 3.5088  3.5088  50.000  50.000  1000.0  2.9240
1:LEU_37:HD1*   1:HEM_0C:HMA*   -1.0000 6.2456  4.2456  50.000  50.000  1000.0  3.5380
1:LEU_37:HD1*   1:LEU_37:HA     -1.0000 4.5052  3.5052  50.000  50.000  1000.0  2.9210
1:LEU_37:HD1*   1:LEU_37:HB1    -1.0000 7.1884  6.1884  50.000  50.000  1000.0  5.1570
1:LEU_37:HD1*   1:LEU_37:HB2    -1.0000 5.9680  4.9680  50.000  50.000  1000.0  4.1400
1:LEU_37:HD1*   1:LEU_37:HG     -1.0000 4.6396  3.6396  50.000  50.000  1000.0  3.0330
1:LEU_37:HD1*   1:MET_76:HB1    -1.0000 5.4088  4.4088  50.000  50.000  1000.0  3.6740
1:LEU_37:HD2*   1:ALA_34:HA     -1.0000 5.1808  4.1808  50.000  50.000  1000.0  3.4840
1:LEU_37:HD2*   1:ALA_73:HA     -1.0000 5.8864  4.8864  50.000  50.000  1000.0  4.0720
1:LEU_37:HD2*   1:GLN_32:HA     -1.0000 7.7140  6.7140  50.000  50.000  1000.0  5.5950
1:LEU_37:HD2*   1:LEU_37:HA     -1.0000 9.2596  8.2596  50.000  50.000  1000.0  6.8830
1:LEU_37:HD2*   1:LEU_37:HB1    -1.0000 4.9276  3.9276  50.000  50.000  1000.0  3.2730
1:LEU_37:HD2*   1:LEU_37:HB2    -1.0000 6.7648  5.7648  50.000  50.000  1000.0  4.8040
1:LEU_37:HD2*   1:MET_76:HB1    -1.0000 6.3544  5.3544  50.000  50.000  1000.0  4.4620
1:LEU_37:HD2*   1:MET_76:HB2    -1.0000 6.0640  5.0640  50.000  50.000  1000.0  4.2200
1:LEU_37:HG     1:GLN_32:HG1    -1.0000 3.0036  3.0036  50.000  50.000  1000.0  2.5030
1:LEU_37:HN     1:ALA_34:HA     -1.0000 3.7716  3.7716  50.000  50.000  1000.0  3.1430
1:LEU_37:HN     1:ALA_73:HB*    -1.0000 6.6592  5.6592  50.000  50.000  1000.0  4.7160
1:LEU_37:HN     1:GLU_36:HA     -1.0000 3.8568  3.8568  50.000  50.000  1000.0  3.2140
1:LEU_37:HN     1:GLU_36:HB2    -1.0000 4.0620  4.0620  50.000  50.000  1000.0  3.3850
1:LEU_37:HN     1:GLU_36:HG1    -1.0000 4.5168  4.5168  50.000  50.000  1000.0  3.7640
1:LEU_37:HN     1:GLU_36:HG2    -1.0000 4.7052  4.7052  50.000  50.000  1000.0  3.9210
1:LEU_37:HN     1:GLU_36:HN     -1.0000 3.0036  3.0036  50.000  50.000  1000.0  2.5030
1:LEU_37:HN     1:LEU_37:HB1    -1.0000 3.0000  2.8440  50.000  50.000  1000.0  2.3700
1:LEU_37:HN     1:LEU_37:HB2    -1.0000 3.7500  3.2880  50.000  50.000  1000.0  2.7400
1:LEU_37:HN     1:LEU_37:HD1*   -1.0000 5.5972  4.5972  50.000  50.000  1000.0  3.8310
1:LEU_37:HN     1:LEU_37:HD2*   -1.0000 5.7496  4.7496  50.000  50.000  1000.0  3.9580
1:LEU_37:HN     1:LEU_37:HG     -1.0000 2.9616  2.9616  50.000  50.000  1000.0  2.4680
1:LEU_37:HN     1:LYS_39:HN     -1.0000 5.0676  5.0676  50.000  50.000  1000.0  4.2230
1:TYR_38:HN     1:ALA_73:HB*    -1.0000 4.8616  3.8616  50.000  50.000  1000.0  3.2180
1:TYR_38:HN     1:GLU_36:HN     -1.0000 4.7400  4.7400  50.000  50.000  1000.0  3.9500
1:TYR_38:HN     1:LEU_37:HA     -1.0000 4.6992  4.6992  50.000  50.000  1000.0  3.9160
1:TYR_38:HN     1:LEU_37:HB2    -1.0000 3.3888  3.3888  50.000  50.000  1000.0  2.8240
1:TYR_38:HN     1:LEU_37:HD1*   -1.0000 6.8848  5.8848  50.000  50.000  1000.0  4.9040
1:TYR_38:HN     1:LEU_37:HD2*   -1.0000 8.6836  7.6836  50.000  50.000  1000.0  6.4030
1:TYR_38:HN     1:LEU_37:HN     -1.0000 3.4608  3.4608  50.000  50.000  1000.0  2.8840
1:TYR_38:HN     1:LYS_39:HN     -1.0000 3.2148  3.2148  50.000  50.000  1000.0  2.6790
1:TYR_38:HN     1:LYS_40:HN     -1.0000 5.2776  5.2776  50.000  50.000  1000.0  4.3980
1:TYR_38:HN     1:MET_41:HG1    -1.0000 5.0000  4.1592  50.000  50.000  1000.0  3.4660
1:TYR_38:HN     1:TYR_38:HB1    -1.0000 2.8524  2.8524  50.000  50.000  1000.0  2.3770
1:TYR_38:HN     1:TYR_38:HB2    -1.0000 2.9868  2.9868  50.000  50.000  1000.0  2.4890
1:TYR_38:HQ*    1:ALA_73:HB*    -1.0000 8.9656  5.5656  50.000  50.000  1000.0  4.6380
1:TYR_38:HQ*    1:ASP_66:HA     -1.0000 8.0920  4.6920  50.000  50.000  1000.0  3.9100
1:TYR_38:HQ*    1:LEU_69:HB1    -1.0000 7.0864  3.6864  50.000  50.000  1000.0  3.0720
1:TYR_38:HQ*    1:LEU_69:HB2    -1.0000 5.9628  3.5628  50.000  50.000  1000.0  2.9690
1:TYR_38:HQ*    1:LEU_69:HD1*   -1.0000 8.6164  5.2164  50.000  50.000  1000.0  4.3470
1:TYR_38:HQ*    1:LEU_69:HD2*   -1.0000 8.3968  4.9968  50.000  50.000  1000.0  4.1640
1:TYR_38:HQ*    1:LYS_39:HA     -1.0000 7.6512  5.2512  50.000  50.000  1000.0  4.3760
1:TYR_38:HQ*    1:LYS_42:HB1    -1.0000 6.4272  4.0272  50.000  50.000  1000.0  3.3560
1:TYR_38:HQ*    1:LYS_70:HA     -1.0000 6.4104  4.0104  50.000  50.000  1000.0  3.3420
1:TYR_38:HQ*    1:LYS_70:HB*    -1.0000 9.2908  5.8908  50.000  50.000  1000.0  4.9090
1:TYR_38:HQ*    1:LYS_70:HE*    -1.0000 8.1052  4.7052  50.000  50.000  1000.0  3.9210
1:TYR_38:HQ*    1:LYS_70:HG2    -1.0000 4.2768  4.2768  50.000  50.000  1000.0  3.5640
1:TYR_38:HQ*    1:TYR_38:HA     -1.0000 6.2604  3.8604  50.000  50.000  1000.0  3.2170
1:LYS_39:HB1    1:GLU_36:HA     -1.0000 4.0128  4.0128  50.000  50.000  1000.0  3.3440
1:LYS_39:HN     1:LYS_39:HB1    -1.0000 2.9136  2.9136  50.000  50.000  1000.0  2.4280
1:LYS_39:HN     1:LYS_39:HB2    -1.0000 3.7500  3.2604  50.000  50.000  1000.0  2.7170
1:LYS_39:HN     1:LYS_39:HD*    -1.0000 4.5736  3.5736  50.000  50.000  1000.0  2.9780
1:LYS_39:HN     1:LYS_39:HG*    -1.0000 6.0304  5.0304  50.000  50.000  1000.0  4.1920
1:LYS_39:HN     1:LYS_40:HN     -1.0000 3.2448  3.2448  50.000  50.000  1000.0  2.7040
1:LYS_39:HN     1:TYR_38:HA     -1.0000 3.5000  3.3888  50.000  50.000  1000.0  2.8240
1:LYS_39:HN     1:TYR_38:HB1    -1.0000 3.1212  3.1212  50.000  50.000  1000.0  2.6010
1:LYS_39:HN     1:TYR_38:HB2    -1.0000 3.9312  3.9312  50.000  50.000  1000.0  3.2760
1:LYS_39:HN     1:TYR_38:HQ*    -1.0000 6.3976  5.3976  50.000  50.000  1000.0  4.4980
1:LYS_40:HB1    1:LEU_37:HA     -1.0000 3.9996  3.9996  50.000  50.000  1000.0  3.3330
1:LYS_40:HG*    1:LYS_40:HA     -1.0000 4.9444  3.9444  50.000  50.000  1000.0  3.2870
1:LYS_40:HN     1:GLU_36:HA     -1.0000 4.5432  4.5432  50.000  50.000  1000.0  3.7860
1:LYS_40:HN     1:LEU_37:HA     -1.0000 3.7476  3.7476  50.000  50.000  1000.0  3.1230
1:LYS_40:HN     1:LYS_39:HA     -1.0000 3.9120  3.9120  50.000  50.000  1000.0  3.2600
1:LYS_40:HN     1:LYS_39:HB1    -1.0000 3.4344  3.4344  50.000  50.000  1000.0  2.8620
1:LYS_40:HN     1:LYS_39:HB2    -1.0000 3.4860  3.4860  50.000  50.000  1000.0  2.9050
1:LYS_40:HN     1:LYS_40:HB1    -1.0000 3.5000  3.0504  50.000  50.000  1000.0  2.5420
1:LYS_40:HN     1:LYS_40:HB2    -1.0000 3.2000  3.0120  50.000  50.000  1000.0  2.5100
1:LYS_40:HN     1:LYS_40:HG*    -1.0000 5.2024  4.2024  50.000  50.000  1000.0  3.5020
1:MET_41:HB1    1:HEM_0C:HMB*   -1.0000 6.0000  3.9816  50.000  50.000  1000.0  3.3180
1:MET_41:HG2    1:TYR_38:HA     -1.0000 4.6632  4.6632  50.000  50.000  1000.0  3.8860
1:MET_41:HN     1:HEM_0C:HMA*   -1.0000 6.2896  5.2896  50.000  50.000  1000.0  4.4080
1:MET_41:HN     1:LYS_40:HA     -1.0000 4.3956  4.3956  50.000  50.000  1000.0  3.6630
1:MET_41:HN     1:LYS_40:HB1    -1.0000 3.4068  3.4068  50.000  50.000  1000.0  2.8390
1:MET_41:HN     1:LYS_40:HB2    -1.0000 3.6192  3.6192  50.000  50.000  1000.0  3.0160
1:MET_41:HN     1:LYS_40:HN     -1.0000 3.2496  3.2496  50.000  50.000  1000.0  2.7080
1:MET_41:HN     1:MET_41:HB1    -1.0000 3.7500  3.1740  50.000  50.000  1000.0  2.6450
1:MET_41:HN     1:MET_41:HB2    -1.0000 3.1000  3.0600  50.000  50.000  1000.0  2.5500
1:MET_41:HN     1:MET_41:HG2    -1.0000 3.4368  3.4368  50.000  50.000  1000.0  2.8640
1:MET_41:HN     1:TYR_38:HA     -1.0000 4.4868  4.4868  50.000  50.000  1000.0  3.7390
1:LYS_42:HB1    1:LYS_39:HA     -1.0000 3.3732  3.3732  50.000  50.000  1000.0  2.8110
1:LYS_42:HN     1:MET_41:HG1    -1.0000 4.9056  4.9056  50.000  50.000  1000.0  4.0880
1:LYS_42:HN     1:LEU_69:HD1*   -1.0000 5.9848  4.9848  50.000  50.000  1000.0  4.1540
1:LYS_42:HN     1:LEU_69:HD2*   -1.0000 6.2440  5.2440  50.000  50.000  1000.0  4.3700
1:LYS_42:HN     1:LYS_39:HA     -1.0000 3.6792  3.6792  50.000  50.000  1000.0  3.0660
1:LYS_42:HN     1:LYS_40:HN     -1.0000 4.9488  4.9488  50.000  50.000  1000.0  4.1240
1:LYS_42:HN     1:LYS_42:HB1    -1.0000 2.8752  2.8752  50.000  50.000  1000.0  2.3960
1:LYS_42:HN     1:LYS_42:HB2    -1.0000 3.7500  3.1920  50.000  50.000  1000.0  2.6600
1:LYS_42:HN     1:LYS_42:HG*    -1.0000 4.6768  3.6768  50.000  50.000  1000.0  3.0640
1:LYS_42:HN     1:MET_41:HB1    -1.0000 4.0000  3.8352  50.000  50.000  1000.0  3.1960
1:LYS_42:HN     1:MET_41:HG2    -1.0000 4.0572  4.0572  50.000  50.000  1000.0  3.3810
1:LYS_42:HN     1:MET_41:HN     -1.0000 3.3036  3.3036  50.000  50.000  1000.0  2.7530
1:GLY_43:HN     1:LYS_40:HA     -1.0000 4.0056  4.0056  50.000  50.000  1000.0  3.3380
1:GLY_43:HN     1:LYS_42:HA     -1.0000 3.9072  3.9072  50.000  50.000  1000.0  3.2560
1:GLY_43:HN     1:LYS_42:HB1    -1.0000 3.6456  3.6456  50.000  50.000  1000.0  3.0380
1:GLY_43:HN     1:LYS_42:HB2    -1.0000 4.0380  4.0380  50.000  50.000  1000.0  3.3650
1:GLY_43:HN     1:TYR_49:HB1    -1.0000 4.7556  4.7556  50.000  50.000  1000.0  3.9630
1:TYR_44:HD*    1:LYS_54:HA     -1.0000 6.3548  4.3548  50.000  50.000  1000.0  3.6290
1:TYR_44:HD*    1:LYS_54:HB*    -1.0000 8.6712  5.6712  50.000  50.000  1000.0  4.7260
1:TYR_44:HD*    1:MET_41:HA     -1.0000 5.4908  3.4908  50.000  50.000  1000.0  2.9090
1:TYR_44:HD*    1:TYR_44:HA     -1.0000 5.6588  3.6588  50.000  50.000  1000.0  3.0490
1:TYR_44:HE*    1:ARG_53:HG*    -1.0000 7.3320  4.3320  50.000  50.000  1000.0  3.6100
1:TYR_44:HE*    1:GLY_50:HA1    -1.0000 5.6648  3.6648  50.000  50.000  1000.0  3.0540
1:TYR_44:HE*    1:GLY_50:HA2    -1.0000 5.9420  3.9420  50.000  50.000  1000.0  3.2850
1:TYR_44:HE*    1:HEM_0C:HAA1   -1.0000 5.7224  3.7224  50.000  50.000  1000.0  3.1020
1:TYR_44:HE*    1:HEM_0C:HAA2   -1.0000 5.8052  3.8052  50.000  50.000  1000.0  3.1710
1:TYR_44:HE*    1:HEM_0C:HAD2   -1.0000 7.1300  5.1300  50.000  50.000  1000.0  4.2750
1:TYR_44:HE*    1:HEM_0C:HBA1   -1.0000 7.8008  5.8008  50.000  50.000  1000.0  4.8340
1:TYR_44:HE*    1:HEM_0C:HBD1   -1.0000 5.6420  3.6420  50.000  50.000  1000.0  3.0350
1:TYR_44:HE*    1:LYS_40:HB2    -1.0000 7.3628  5.3628  50.000  50.000  1000.0  4.4690
1:TYR_44:HE*    1:LYS_54:HA     -1.0000 5.5580  3.5580  50.000  50.000  1000.0  2.9650
1:TYR_44:HE*    1:LYS_54:HG1    -1.0000 7.7456  5.7456  50.000  50.000  1000.0  4.7880
1:TYR_44:HE*    1:MET_57:HB1    -1.0000 6.5012  4.5012  50.000  50.000  1000.0  3.7510
1:TYR_44:HE*    1:MET_41:HA     -1.0000 7.0820  5.0820  50.000  50.000  1000.0  4.2350
1:TYR_44:HE*    1:TYR_44:HA     -1.0000 7.3628  5.3628  50.000  50.000  1000.0  4.4690
1:TYR_44:HN     1:ALA_45:HB*    -1.0000 6.4948  5.4948  50.000  50.000  1000.0  4.5790
1:TYR_44:HN     1:ALA_45:HN     -1.0000 3.0600  3.0600  50.000  50.000  1000.0  2.5500
1:TYR_44:HN     1:ASP_46:HN     -1.0000 4.6284  4.6284  50.000  50.000  1000.0  3.8570
1:TYR_44:HN     1:GLY_43:HA1    -1.0000 3.6936  3.6936  50.000  50.000  1000.0  3.0780
1:TYR_44:HN     1:GLY_43:HA2    -1.0000 3.5736  3.5736  50.000  50.000  1000.0  2.9780
1:TYR_44:HN     1:GLY_43:HN     -1.0000 2.8812  2.8812  50.000  50.000  1000.0  2.4010
1:TYR_44:HN     1:LYS_40:HA     -1.0000 4.5876  4.5876  50.000  50.000  1000.0  3.8230
1:TYR_44:HN     1:MET_41:HA     -1.0000 3.5452  3.1452  50.000  50.000  1000.0  2.6210
1:TYR_44:HN     1:TYR_44:HB2    -1.0000 3.7500  3.1020  50.000  50.000  1000.0  2.5850
1:TYR_44:HN     1:TYR_44:HB1    -1.0000 3.3684  3.3684  50.000  50.000  1000.0  2.8070
1:TYR_44:HN     1:TYR_44:HD*    -1.0000 6.4508  4.4508  50.000  50.000  1000.0  3.7090
1:TYR_44:HN     1:TYR_49:HB1    -1.0000 4.8000  4.8000  50.000  50.000  1000.0  4.0000
1:TYR_44:HN     1:TYR_49:HB2    -1.0000 4.1340  4.1340  50.000  50.000  1000.0  3.4450
1:TYR_44:HN     1:TYR_49:HD*    -1.0000 6.8048  4.8048  50.000  50.000  1000.0  4.0040
1:TYR_44:HN     1:VAL_61:HG1*   -1.0000 5.7292  4.7292  50.000  50.000  1000.0  3.9410
1:ALA_45:HB*    1:LYS_42:HA     -1.0000 5.2840  4.2840  50.000  50.000  1000.0  3.5700
1:ALA_45:HB*    1:LYS_62:HA     -1.0000 5.6704  4.6704  50.000  50.000  1000.0  3.8920
1:ALA_45:HN     1:ASP_46:HN     -1.0000 3.0408  3.0408  50.000  50.000  1000.0  2.5340
1:ALA_45:HN     1:LEU_69:HD1*   -1.0000 6.3316  5.3316  50.000  50.000  1000.0  4.4430
1:ALA_45:HN     1:LEU_69:HD2*   -1.0000 6.4000  5.4000  50.000  50.000  1000.0  4.5000
1:ALA_45:HN     1:LYS_42:HA     -1.0000 3.6804  3.6804  50.000  50.000  1000.0  3.0670
1:ALA_45:HN     1:MET_41:HB1    -1.0000 5.0000  4.5924  50.000  50.000  1000.0  3.8270
1:ALA_45:HN     1:TYR_44:HA     -1.0000 4.3548  4.3548  50.000  50.000  1000.0  3.6290
1:ALA_45:HN     1:TYR_44:HB1    -1.0000 3.1176  3.1176  50.000  50.000  1000.0  2.5980
1:ALA_45:HN     1:TYR_44:HB2    -1.0000 3.7176  3.7176  50.000  50.000  1000.0  3.0980
1:ALA_45:HN     1:VAL_61:HG1*   -1.0000 5.1112  4.1112  50.000  50.000  1000.0  3.4260
1:ALA_45:HN     1:VAL_61:HG2*   -1.0000 6.7744  5.7744  50.000  50.000  1000.0  4.8120
1:ASP_46:HN     1:ALA_45:HB*    -1.0000 5.0128  4.0128  50.000  50.000  1000.0  3.3440
1:ASP_46:HN     1:ASP_46:HB1    -1.0000 3.7500  3.5436  50.000  50.000  1000.0  2.9530
1:ASP_46:HN     1:ASP_46:HB2    -1.0000 3.3996  3.3996  50.000  50.000  1000.0  2.8330
1:ASP_46:HN     1:GLY_43:HA2    -1.0000 4.6728  4.6728  50.000  50.000  1000.0  3.8940
1:ASP_46:HN     1:GLY_47:HN     -1.0000 3.1056  3.1056  50.000  50.000  1000.0  2.5880
1:GLY_47:HN     1:ASP_46:HA     -1.0000 3.7668  3.7668  50.000  50.000  1000.0  3.1390
1:GLY_47:HN     1:THR_58:HG2*   -1.0000 6.1972  5.1972  50.000  50.000  1000.0  4.3310
1:GLY_47:HN     1:TYR_44:HA     -1.0000 4.8216  4.8216  50.000  50.000  1000.0  4.0180
1:SER_48:HN     1:ASP_46:HN     -1.0000 4.1256  4.1256  50.000  50.000  1000.0  3.4380
1:SER_48:HN     1:GLY_47:HN     -1.0000 3.2544  3.2544  50.000  50.000  1000.0  2.7120
1:SER_48:HN     1:SER_48:HB1    -1.0000 4.1988  4.1988  50.000  50.000  1000.0  3.4990
1:SER_48:HN     1:SER_48:HB2    -1.0000 3.2196  3.2196  50.000  50.000  1000.0  2.6830
1:SER_48:HN     1:TYR_49:HN     -1.0000 3.2892  3.2892  50.000  50.000  1000.0  2.7410
1:TYR_49:HB1    1:GLY_43:HA1    -1.0000 3.5904  3.5904  50.000  50.000  1000.0  2.9920
1:TYR_49:HB1    1:GLY_43:HA2    -1.0000 3.9120  3.9120  50.000  50.000  1000.0  3.2600
1:TYR_49:HB2    1:GLY_43:HA2    -1.0000 3.5436  3.5436  50.000  50.000  1000.0  2.9530
1:TYR_49:HB2    1:LYS_40:HA     -1.0000 3.7044  3.7044  50.000  50.000  1000.0  3.0870
1:TYR_49:HD*    1:GLY_43:HA2    -1.0000 7.1420  5.1420  50.000  50.000  1000.0  4.2850
1:TYR_49:HD*    1:LYS_40:HA     -1.0000 7.4744  5.4744  50.000  50.000  1000.0  4.5620
1:TYR_49:HD*    1:LYS_40:HB2    -1.0000 7.2668  5.2668  50.000  50.000  1000.0  4.3890
1:TYR_49:HD*    1:TYR_44:HA     -1.0000 7.2224  5.2224  50.000  50.000  1000.0  4.3520
1:TYR_49:HD*    1:TYR_49:HA     -1.0000 5.8556  3.8556  50.000  50.000  1000.0  3.2130
1:TYR_49:HE*    1:GLY_43:HA1    -1.0000 6.2780  4.2780  50.000  50.000  1000.0  3.5650
1:TYR_49:HE*    1:HEM_0C:HAA1   -1.0000 6.2564  4.2564  50.000  50.000  1000.0  3.5470
1:TYR_49:HE*    1:LYS_40:HA     -1.0000 7.5200  5.5200  50.000  50.000  1000.0  4.6000
1:TYR_49:HE*    1:LYS_40:HB2    -1.0000 6.0644  4.0644  50.000  50.000  1000.0  3.3870
1:TYR_49:HE*    1:TYR_44:HE*    -1.0000 8.7568  4.7568  50.000  50.000  1000.0  3.9640
1:TYR_49:HE*    1:TYR_49:HA     -1.0000 5.4164  3.4164  50.000  50.000  1000.0  2.8470
1:TYR_49:HE*    1:GLY_50:HN     -1.0000 6.4220  4.4220  50.000  50.000  1000.0  3.6850
1:TYR_49:HE*    1:LYS_40:HG*    -1.0000 7.3860  4.3860  50.000  50.000  1000.0  3.6550
1:TYR_49:HN     1:SER_48:HB2    -1.0000 4.8000  4.8000  50.000  50.000  1000.0  4.0000
1:TYR_49:HN     1:TYR_49:HA     -1.0000 3.0876  3.0876  50.000  50.000  1000.0  2.5730
1:TYR_49:HN     1:TYR_49:HB1    -1.0000 3.2700  3.2700  50.000  50.000  1000.0  2.7250
1:TYR_49:HN     1:TYR_49:HB2    -1.0000 3.2196  3.2196  50.000  50.000  1000.0  2.6830
1:GLY_50:HN     1:TYR_49:HA     -1.0000 3.0036  3.0036  50.000  50.000  1000.0  2.5030
1:GLY_50:HN     1:TYR_49:HD*    -1.0000 6.6464  4.6464  50.000  50.000  1000.0  3.8720
1:GLY_51:HN     1:GLY_50:HA1    -1.0000 3.2448  3.2448  50.000  50.000  1000.0  2.7040
1:GLY_51:HN     1:GLY_50:HA2    -1.0000 3.1656  3.1656  50.000  50.000  1000.0  2.6380
1:GLY_51:HN     1:LYS_54:HB*    -1.0000 6.6736  5.6736  50.000  50.000  1000.0  4.7280
1:GLU_52:HG*    1:GLU_52:HA     -1.0000 4.8208  3.8208  50.000  50.000  1000.0  3.1840
1:GLU_52:HN     1:ARG_53:HN     -1.0000 4.2876  4.2876  50.000  50.000  1000.0  3.5730
1:GLU_52:HN     1:GLU_52:HB*    -1.0000 4.9060  3.9060  50.000  50.000  1000.0  3.2550
1:GLU_52:HN     1:GLU_52:HG*    -1.0000 6.2596  5.2596  50.000  50.000  1000.0  4.3830
1:GLU_52:HN     1:GLY_51:HA1    -1.0000 3.8556  3.8556  50.000  50.000  1000.0  3.2130
1:GLU_52:HN     1:GLY_51:HA2    -1.0000 3.7560  3.7560  50.000  50.000  1000.0  3.1300
1:ARG_53:HN     1:ARG_53:HB1    -1.0000 3.3492  3.3492  50.000  50.000  1000.0  2.7910
1:ARG_53:HN     1:ARG_53:HD*    -1.0000 4.3816  3.3816  50.000  50.000  1000.0  2.8180
1:ARG_53:HN     1:ARG_53:HG*    -1.0000 4.7428  3.7428  50.000  50.000  1000.0  3.1190
1:ARG_53:HN     1:GLU_52:HA     -1.0000 3.9312  3.9312  50.000  50.000  1000.0  3.2760
1:ARG_53:HN     1:LYS_54:HN     -1.0000 3.1056  3.1056  50.000  50.000  1000.0  2.5880
1:LYS_54:HB*    1:GLY_50:HA1    -1.0000 4.1836  3.1836  50.000  50.000  1000.0  2.6530
1:LYS_54:HE*    1:HEM_0C:HBA1   -1.0000 6.6304  5.6304  50.000  50.000  1000.0  4.6920
1:LYS_54:HG1    1:LYS_54:HE*    -1.0000 5.0224  4.0224  50.000  50.000  1000.0  3.3520
1:LYS_54:HN     1:ARG_53:HA     -1.0000 3.7872  3.7872  50.000  50.000  1000.0  3.1560
1:LYS_54:HN     1:ARG_53:HG*    -1.0000 4.3168  3.3168  50.000  50.000  1000.0  2.7640
1:LYS_54:HN     1:GLU_52:HA     -1.0000 4.6596  4.6596  50.000  50.000  1000.0  3.8830
1:LYS_54:HN     1:LYS_54:HG1    -1.0000 3.2100  3.2100  50.000  50.000  1000.0  2.6750
1:LYS_54:HN     1:LYS_54:HG2    -1.0000 4.1592  4.1592  50.000  50.000  1000.0  3.4660
1:ALA_55:HN     1:ARG_53:HA     -1.0000 5.0220  5.0220  50.000  50.000  1000.0  4.1850
1:ALA_55:HN     1:ARG_53:HG*    -1.0000 5.3056  4.3056  50.000  50.000  1000.0  3.5880
1:ALA_55:HN     1:LYS_54:HA     -1.0000 4.5588  4.5588  50.000  50.000  1000.0  3.7990
1:ALA_55:HN     1:LYS_54:HG1    -1.0000 4.5000  3.4680  50.000  50.000  1000.0  2.8900
1:ALA_55:HN     1:LYS_54:HG2    -1.0000 5.0000  3.7728  50.000  50.000  1000.0  3.1440
1:ALA_55:HN     1:MET_56:HN     -1.0000 4.1484  4.1484  50.000  50.000  1000.0  3.4570
1:MET_56:HN     1:ALA_55:HA     -1.0000 5.0856  5.0856  50.000  50.000  1000.0  4.2380
1:MET_56:HN     1:ALA_55:HB*    -1.0000 5.3932  4.3932  50.000  50.000  1000.0  3.6610
1:MET_56:HN     1:MET_57:HN     -1.0000 3.3624  3.3624  50.000  50.000  1000.0  2.8020
1:MET_56:HN     1:MET_56:HB1    -1.0000 3.4992  3.4992  50.000  50.000  1000.0  2.9160
1:MET_56:HN     1:MET_56:HB2    -1.0000 3.7500  3.7236  50.000  50.000  1000.0  3.1030
1:MET_57:HB1    1:LYS_54:HA     -1.0000 4.1892  4.1892  50.000  50.000  1000.0  3.4910
1:MET_57:HB1    1:MET_57:HN     -1.0000 2.9412  2.9412  50.000  50.000  1000.0  2.4510
1:MET_57:HB2    1:MET_57:HN     -1.0000 3.2652  3.2652  50.000  50.000  1000.0  2.7210
1:THR_58:HG2*   1:ALA_45:HA     -1.0000 8.0092  7.0092  50.000  50.000  1000.0  5.8410
1:THR_58:HG2*   1:GLY_47:HA1    -1.0000 5.9140  4.9140  50.000  50.000  1000.0  4.0950
1:THR_58:HN     1:ALA_55:HA     -1.0000 3.5000  3.2604  50.000  50.000  1000.0  2.7170
1:THR_58:HN     1:ALA_60:HN     -1.0000 4.9104  4.9104  50.000  50.000  1000.0  4.0920
1:THR_58:HN     1:ASN_59:HN     -1.0000 3.5988  3.5988  50.000  50.000  1000.0  2.9990
1:THR_58:HN     1:LYS_54:HA     -1.0000 4.5924  4.5924  50.000  50.000  1000.0  3.8270
1:THR_58:HN     1:MET_57:HA     -1.0000 3.8084  3.3084  50.000  50.000  1000.0  2.7570
1:THR_58:HN     1:MET_57:HB1    -1.0000 3.7440  3.7440  50.000  50.000  1000.0  3.1200
1:THR_58:HN     1:MET_57:HN     -1.0000 3.1176  3.1176  50.000  50.000  1000.0  2.5980
1:THR_58:HN     1:THR_58:HB     -1.0000 3.0432  3.0432  50.000  50.000  1000.0  2.5360
1:THR_58:HN     1:THR_58:HG2*   -1.0000 5.3308  4.3308  50.000  50.000  1000.0  3.6090
1:ASN_59:HD22   1:ALA_60:HN     -1.0000 4.3128  4.3128  50.000  50.000  1000.0  3.5940
1:ASN_59:HD22   1:LYS_63:HA     -1.0000 5.0000  4.9224  50.000  50.000  1000.0  4.1020
1:ASN_59:HN     1:ALA_55:HB*    -1.0000 6.9520  5.9520  50.000  50.000  1000.0  4.9600
1:ASN_59:HN     1:ALA_60:HB*    -1.0000 6.6844  5.6844  50.000  50.000  1000.0  4.7370
1:ASN_59:HN     1:ALA_60:HN     -1.0000 3.5136  3.5136  50.000  50.000  1000.0  2.9280
1:ASN_59:HN     1:THR_58:HA     -1.0000 4.1052  4.1052  50.000  50.000  1000.0  3.4210
1:ASN_59:HN     1:THR_58:HB     -1.0000 3.4464  3.4464  50.000  50.000  1000.0  2.8720
1:ASN_59:HN     1:THR_58:HG2*   -1.0000 5.7748  4.7748  50.000  50.000  1000.0  3.9790
1:ALA_60:HB*    1:HEM_0C:HAB    -1.0000 5.5984  4.5984  50.000  50.000  1000.0  3.8320
1:ALA_60:HB*    1:HEM_0C:HBB*   -1.0000 7.6492  6.6492  50.000  50.000  1000.0  5.5410
1:ALA_60:HB*    1:MET_57:HA     -1.0000 8.5204  7.5204  50.000  50.000  1000.0  6.2670
1:ALA_60:HN     1:ASN_59:HA     -1.0000 4.4268  4.4268  50.000  50.000  1000.0  3.6890
1:ALA_60:HN     1:ASN_59:HB*    -1.0000 5.1712  4.1712  50.000  50.000  1000.0  3.4760
1:ALA_60:HN     1:MET_57:HA     -1.0000 3.9216  3.9216  50.000  50.000  1000.0  3.2680
1:ALA_60:HN     1:MET_57:HN     -1.0000 4.6164  4.6164  50.000  50.000  1000.0  3.8470
1:ALA_60:HN     1:VAL_61:HG1*   -1.0000 5.2636  4.2636  50.000  50.000  1000.0  3.5530
1:ALA_60:HN     1:VAL_61:HG2*   -1.0000 7.4824  6.4824  50.000  50.000  1000.0  5.4020
1:VAL_61:HG1*   1:ALA_45:HA     -1.0000 4.9084  3.9084  50.000  50.000  1000.0  3.2570
1:VAL_61:HG1*   1:ALA_45:HB*    -1.0000 8.4860  6.4860  50.000  50.000  1000.0  5.4050
1:VAL_61:HG1*   1:LEU_69:HD1*   -1.0000 10.306  8.3064  50.000  50.000  1000.0  6.9220
1:VAL_61:HG1*   1:LYS_62:HA     -1.0000 6.2488  5.2488  50.000  50.000  1000.0  4.3740
1:VAL_61:HG1*   1:THR_58:HA     -1.0000 9.3952  8.3952  50.000  50.000  1000.0  6.9960
1:VAL_61:HG1*   1:TYR_44:HB2    -1.0000 8.4388  7.4388  50.000  50.000  1000.0  6.1990
1:VAL_61:HG2*   1:ALA_60:HB*    -1.0000 7.4384  5.4384  50.000  50.000  1000.0  4.5320
1:VAL_61:HG2*   1:HEM_0C:HBB*   -1.0000 8.2928  6.2928  50.000  50.000  1000.0  5.2440
1:VAL_61:HG2*   1:LEU_69:HD1*   -1.0000 7.4180  5.4180  50.000  50.000  1000.0  4.5150
1:VAL_61:HG2*   1:MET_41:HA     -1.0000 8.1220  7.1220  50.000  50.000  1000.0  5.9350
1:VAL_61:HG2*   1:MET_41:HB1    -1.0000 6.4372  5.4372  50.000  50.000  1000.0  4.5310
1:VAL_61:HG2*   1:VAL_61:HA     -1.0000 4.3912  3.3912  50.000  50.000  1000.0  2.8260
1:VAL_61:HN     1:ALA_60:HA     -1.0000 3.6960  3.6960  50.000  50.000  1000.0  3.0800
1:VAL_61:HN     1:ALA_60:HB*    -1.0000 5.6452  4.6452  50.000  50.000  1000.0  3.8710
1:VAL_61:HN     1:ALA_60:HN     -1.0000 3.7140  3.7140  50.000  50.000  1000.0  3.0950
1:VAL_61:HN     1:VAL_61:HB     -1.0000 3.8004  3.8004  50.000  50.000  1000.0  3.1670
1:VAL_61:HN     1:VAL_61:HG1*   -1.0000 4.6360  3.6360  50.000  50.000  1000.0  3.0300
1:VAL_61:HN     1:VAL_61:HG2*   -1.0000 5.3128  4.3128  50.000  50.000  1000.0  3.5940
1:LYS_62:HE*    1:ASN_59:HA     -1.0000 6.0700  5.0700  50.000  50.000  1000.0  4.2250
1:LYS_62:HG*    1:LYS_63:HD*    -1.0000 4.6900  3.6900  50.000  50.000  1000.0  3.0750
1:LYS_62:HN     1:ALA_60:HN     -1.0000 4.6404  4.6404  50.000  50.000  1000.0  3.8670
1:LYS_62:HN     1:ASN_59:HA     -1.0000 3.9828  3.9828  50.000  50.000  1000.0  3.3190
1:LYS_62:HN     1:LYS_62:HB1    -1.0000 3.0000  3.4008  50.000  50.000  1000.0  2.8340
1:LYS_62:HN     1:LYS_62:HB2    -1.0000 3.3240  3.3240  50.000  50.000  1000.0  2.7700
1:LYS_62:HN     1:LYS_62:HD*    -1.0000 6.0424  5.0424  50.000  50.000  1000.0  4.2020
1:LYS_62:HN     1:LYS_62:HG*    -1.0000 6.0880  5.0880  50.000  50.000  1000.0  4.2400
1:LYS_62:HN     1:LYS_63:HD*    -1.0000 5.0548  4.0548  50.000  50.000  1000.0  3.3790
1:LYS_62:HN     1:THR_58:HG2*   -1.0000 7.4992  6.4992  50.000  50.000  1000.0  5.4160
1:LYS_62:HN     1:VAL_61:HA     -1.0000 3.8292  3.8292  50.000  50.000  1000.0  3.1910
1:LYS_62:HN     1:VAL_61:HG1*   -1.0000 5.5504  4.5504  50.000  50.000  1000.0  3.7920
1:LYS_62:HN     1:VAL_61:HG2*   -1.0000 6.7936  5.7936  50.000  50.000  1000.0  4.8280
1:LYS_62:HN     1:VAL_61:HN     -1.0000 2.9868  2.9868  50.000  50.000  1000.0  2.4890
1:LYS_63:HD*    1:LYS_63:HB2    -1.0000 4.1392  3.1392  50.000  50.000  1000.0  2.6160
1:LYS_63:HN     1:ALA_64:HN     -1.0000 3.0744  3.0744  50.000  50.000  1000.0  2.5620
1:LYS_63:HN     1:LYS_62:HA     -1.0000 3.6648  3.6648  50.000  50.000  1000.0  3.0540
1:LYS_63:HN     1:LYS_62:HB2    -1.0000 4.2600  4.2600  50.000  50.000  1000.0  3.5500
1:LYS_63:HN     1:LYS_62:HN     -1.0000 3.5844  3.5844  50.000  50.000  1000.0  2.9870
1:LYS_63:HN     1:LYS_63:HB1    -1.0000 4.0000  3.3348  50.000  50.000  1000.0  2.7790
1:LYS_63:HN     1:LYS_63:HB2    -1.0000 3.1104  3.1104  50.000  50.000  1000.0  2.5920
1:LYS_63:HN     1:LYS_63:HD*    -1.0000 5.4796  4.4796  50.000  50.000  1000.0  3.7330
1:ALA_64:HB*    1:GLU_68:HB1    -1.0000 6.5092  5.5092  50.000  50.000  1000.0  4.5910
1:ALA_64:HB*    1:LEU_69:HG     -1.0000 5.8324  4.8324  50.000  50.000  1000.0  4.0270
1:ALA_64:HN     1:LEU_69:HD1*   -1.0000 6.6760  5.6760  50.000  50.000  1000.0  4.7300
1:ALA_64:HN     1:LYS_62:HA     -1.0000 4.6044  4.6044  50.000  50.000  1000.0  3.8370
1:ALA_64:HN     1:LYS_63:HA     -1.0000 3.6744  3.6744  50.000  50.000  1000.0  3.0620
1:ALA_64:HN     1:VAL_61:HA     -1.0000 4.0788  4.0788  50.000  50.000  1000.0  3.3990
1:SER_65:HN     1:ALA_64:HA     -1.0000 2.5524  2.5524  50.000  50.000  1000.0  2.1270
1:SER_65:HN     1:ALA_64:HB*    -1.0000 4.7440  3.7440  50.000  50.000  1000.0  3.1200
1:SER_65:HN     1:ALA_64:HN     -1.0000 4.5216  4.5216  50.000  50.000  1000.0  3.7680
1:SER_65:HN     1:GLU_68:HB1    -1.0000 3.5000  3.0504  50.000  50.000  1000.0  2.5420
1:SER_65:HN     1:GLU_68:HB2    -1.0000 3.5100  3.5100  50.000  50.000  1000.0  2.9250
1:SER_65:HN     1:GLU_68:HG1    -1.0000 4.1712  4.1712  50.000  50.000  1000.0  3.4760
1:SER_65:HN     1:GLU_68:HG2    -1.0000 4.4040  4.4040  50.000  50.000  1000.0  3.6700
1:SER_65:HN     1:GLU_68:HN     -1.0000 4.0128  4.0128  50.000  50.000  1000.0  3.3440
1:SER_65:HN     1:LEU_69:HN     -1.0000 4.4400  4.4400  50.000  50.000  1000.0  3.7000
1:SER_65:HN     1:LEU_6:HD1*    -1.0000 6.3484  5.3484  50.000  50.000  1000.0  4.4570
1:SER_65:HN     1:SER_65:HB1    -1.0000 4.1592  4.1592  50.000  50.000  1000.0  3.4660
1:SER_65:HN     1:SER_65:HB2    -1.0000 3.3280  3.5280  50.000  50.000  1000.0  2.9400
1:ASP_66:HN     1:GLU_67:HN     -1.0000 3.9420  3.9420  50.000  50.000  1000.0  3.2850
1:ASP_66:HN     1:SER_65:HA     -1.0000 3.4212  3.4212  50.000  50.000  1000.0  2.8510
1:ASP_66:HN     1:SER_65:HB1    -1.0000 3.9432  3.9432  50.000  50.000  1000.0  3.2860
1:ASP_66:HN     1:SER_65:HB2    -1.0000 4.3752  4.3752  50.000  50.000  1000.0  3.6460
1:GLU_67:HB1    1:GLU_68:HG2    -1.0000 3.2244  3.2244  50.000  50.000  1000.0  2.6870
1:GLU_67:HN     1:ASP_66:HA     -1.0000 3.6960  3.6960  50.000  50.000  1000.0  3.0800
1:GLU_67:HN     1:ASP_66:HB*    -1.0000 4.6084  3.6084  50.000  50.000  1000.0  3.0070
1:GLU_67:HN     1:GLU_67:HB1    -1.0000 3.5000  2.7804  50.000  50.000  1000.0  2.3170
1:GLU_67:HN     1:GLU_67:HB2    -1.0000 3.1056  3.1056  50.000  50.000  1000.0  2.5880
1:GLU_67:HN     1:GLU_67:HG1    -1.0000 5.2908  5.2908  50.000  50.000  1000.0  4.4090
1:GLU_67:HN     1:GLU_67:HG2    -1.0000 5.0000  3.2400  50.000  50.000  1000.0  2.7000
1:GLU_67:HN     1:SER_65:HB1    -1.0000 4.1292  4.1292  50.000  50.000  1000.0  3.4410
1:GLU_68:HG1    1:ALA_64:HA     -1.0000 3.0540  3.0540  50.000  50.000  1000.0  2.5450
1:GLU_68:HG1    1:GLU_68:HA     -1.0000 4.2048  4.2048  50.000  50.000  1000.0  3.5040
1:GLU_68:HG2    1:GLU_68:HA     -1.0000 3.4788  3.4788  50.000  50.000  1000.0  2.8990
1:GLU_68:HN     1:ALA_64:HB*    -1.0000 7.5256  6.5256  50.000  50.000  1000.0  5.4380
1:GLU_68:HN     1:ASP_66:HA     -1.0000 4.5372  4.5372  50.000  50.000  1000.0  3.7810
1:GLU_68:HN     1:ASP_66:HB*    -1.0000 5.9728  4.9728  50.000  50.000  1000.0  4.1440
1:GLU_68:HN     1:GLU_67:HA     -1.0000 3.4632  3.4632  50.000  50.000  1000.0  2.8860
1:GLU_68:HN     1:GLU_67:HB1    -1.0000 3.2448  3.2448  50.000  50.000  1000.0  2.7040
1:GLU_68:HN     1:GLU_68:HB1    -1.0000 3.1000  2.9460  50.000  50.000  1000.0  2.4550
1:GLU_68:HN     1:GLU_68:HB2    -1.0000 3.7500  3.1488  50.000  50.000  1000.0  2.6240
1:GLU_68:HN     1:GLU_68:HG1    -1.0000 3.5000  3.0504  50.000  50.000  1000.0  2.5420
1:GLU_68:HN     1:GLU_68:HG2    -1.0000 3.9200  3.4200  50.000  50.000  1000.0  2.8500
1:GLU_68:HN     1:LEU_6:HD1*    -1.0000 5.7880  4.7880  50.000  50.000  1000.0  3.9900
1:LEU_69:HD1*   1:ALA_64:HB*    -1.0000 6.0620  4.0620  50.000  50.000  1000.0  3.3850
1:LEU_69:HD1*   1:MET_41:HG1    -1.0000 7.0660  6.0660  50.000  50.000  1000.0  5.0550
1:LEU_69:HD1*   1:LEU_69:HA     -1.0000 4.3432  3.3432  50.000  50.000  1000.0  2.7860
1:LEU_69:HD1*   1:MET_41:HB1    -1.0000 5.0296  4.0296  50.000  50.000  1000.0  3.3580
1:LEU_69:HD1*   1:VAL_61:HA     -1.0000 7.1776  6.1776  50.000  50.000  1000.0  5.1480
1:LEU_69:HD1*   1:VAL_61:HB     -1.0000 6.9376  5.9376  50.000  50.000  1000.0  4.9480
1:LEU_69:HD2*   1:ALA_64:HB*    -1.0000 6.8888  4.8888  50.000  50.000  1000.0  4.0740
1:LEU_69:HD2*   1:ASP_66:HA     -1.0000 5.0212  4.0212  50.000  50.000  1000.0  3.3510
1:LEU_69:HD2*   1:LEU_69:HA     -1.0000 7.0600  6.0600  50.000  50.000  1000.0  5.0500
1:LEU_69:HD2*   1:LYS_42:HA     -1.0000 5.1544  4.1544  50.000  50.000  1000.0  3.4620
1:LEU_69:HD2*   1:MET_41:HB1    -1.0000 7.8808  6.8808  50.000  50.000  1000.0  5.7340
1:LEU_69:HG     1:ASP_66:HA     -1.0000 6.0480  6.0480  50.000  50.000  1000.0  5.0400
1:LEU_69:HG     1:LEU_69:HB1    -1.0000 3.8148  3.8148  50.000  50.000  1000.0  3.1790
1:LEU_69:HN     1:ALA_64:HB*    -1.0000 5.2444  4.2444  50.000  50.000  1000.0  3.5370
1:LEU_69:HN     1:ALA_71:HN     -1.0000 4.6404  4.6404  50.000  50.000  1000.0  3.8670
1:LEU_69:HN     1:ASP_66:HA     -1.0000 3.4032  3.4032  50.000  50.000  1000.0  2.8360
1:LEU_69:HN     1:GLU_68:HA     -1.0000 4.0356  4.0356  50.000  50.000  1000.0  3.3630
1:LEU_69:HN     1:GLU_68:HB1    -1.0000 3.2988  3.2988  50.000  50.000  1000.0  2.7490
1:LEU_69:HN     1:GLU_68:HB2    -1.0000 4.0896  4.0896  50.000  50.000  1000.0  3.4080
1:LEU_69:HN     1:GLU_68:HN     -1.0000 2.8752  2.8752  50.000  50.000  1000.0  2.3960
1:LEU_69:HN     1:LEU_69:HB1    -1.0000 3.1000  3.0276  50.000  50.000  1000.0  2.5230
1:LEU_69:HN     1:LEU_69:HB2    -1.0000 3.7500  3.2196  50.000  50.000  1000.0  2.6830
1:LEU_69:HN     1:LEU_69:HD1*   -1.0000 6.2344  5.2344  50.000  50.000  1000.0  4.3620
1:LEU_69:HN     1:LEU_69:HD2*   -1.0000 5.8576  4.8576  50.000  50.000  1000.0  4.0480
1:LEU_69:HN     1:LEU_69:HG     -1.0000 2.7420  2.7420  50.000  50.000  1000.0  2.2850
1:LEU_69:HN     1:LEU_72:HD2*   -1.0000 6.9844  5.9844  50.000  50.000  1000.0  4.9870
1:LEU_69:HN     1:LYS_70:HA     -1.0000 5.5000  4.9320  50.000  50.000  1000.0  4.1100
1:LYS_70:HG2    1:LYS_70:HA     -1.0000 3.4500  3.4500  50.000  50.000  1000.0  2.8750
1:LYS_70:HN     1:ALA_71:HB*    -1.0000 5.3344  4.3344  50.000  50.000  1000.0  3.6120
1:LYS_70:HN     1:ALA_71:HN     -1.0000 3.0708  3.0708  50.000  50.000  1000.0  2.5590
1:LYS_70:HN     1:ASP_66:HA     -1.0000 4.2048  4.2048  50.000  50.000  1000.0  3.5040
1:LYS_70:HN     1:GLU_67:HA     -1.0000 3.9828  3.9828  50.000  50.000  1000.0  3.3190
1:LYS_70:HN     1:GLU_68:HN     -1.0000 4.4040  4.4040  50.000  50.000  1000.0  3.6700
1:LYS_70:HN     1:LEU_69:HA     -1.0000 3.6084  3.6084  50.000  50.000  1000.0  3.0070
1:LYS_70:HN     1:LEU_69:HD1*   -1.0000 6.5884  5.5884  50.000  50.000  1000.0  4.6570
1:LYS_70:HN     1:LEU_69:HD2*   -1.0000 7.3108  6.3108  50.000  50.000  1000.0  5.2590
1:LYS_70:HN     1:LEU_69:HN     -1.0000 3.2880  3.2880  50.000  50.000  1000.0  2.7400
1:LYS_70:HN     1:LYS_70:HD*    -1.0000 5.6596  4.6596  50.000  50.000  1000.0  3.8830
1:LYS_70:HN     1:LYS_70:HE*    -1.0000 4.7776  3.7776  50.000  50.000  1000.0  3.1480
1:LYS_70:HN     1:LYS_70:HG1    -1.0000 4.0000  3.0276  50.000  50.000  1000.0  2.5230
1:LYS_70:HN     1:LYS_70:HG2    -1.0000 4.2000  3.9552  50.000  50.000  1000.0  3.2960
1:LYS_70:HN     1:TYR_38:HQ*    -1.0000 5.4148  4.4148  50.000  50.000  1000.0  3.6790
1:ALA_71:HB*    1:GLY_3:HA2     -1.0000 7.3732  6.3732  50.000  50.000  1000.0  5.3110
1:ALA_71:HN     1:GLU_67:HA     -1.0000 4.4352  4.4352  50.000  50.000  1000.0  3.6960
1:ALA_71:HN     1:LYS_70:HA     -1.0000 3.8376  3.8376  50.000  50.000  1000.0  3.1980
1:ALA_71:HN     1:LYS_70:HB*    -1.0000 4.3552  3.3552  50.000  50.000  1000.0  2.7960
1:LEU_72:HB1    1:LEU_69:HA     -1.0000 3.4752  3.4752  50.000  50.000  1000.0  2.8960
1:LEU_72:HD1*   1:GLY_3:HA2     -1.0000 6.9316  5.9316  50.000  50.000  1000.0  4.9430
1:LEU_72:HD1*   1:HEM_0C:HMB*   -1.0000 6.5540  4.5540  50.000  50.000  1000.0  3.7950
1:LEU_72:HD1*   1:LEU_6:HB1     -1.0000 4.0372  3.0372  50.000  50.000  1000.0  2.5310
1:LEU_72:HD1*   1:LEU_72:HA     -1.0000 4.0804  3.0804  50.000  50.000  1000.0  2.5670
1:LEU_72:HD1*   1:LEU_72:HB1    -1.0000 5.6200  4.6200  50.000  50.000  1000.0  3.8500
1:LEU_72:HD1*   1:LEU_72:HB2    -1.0000 4.4932  3.4932  50.000  50.000  1000.0  2.9110
1:LEU_72:HD1*   1:TYR_7:HA      -1.0000 4.8124  3.8124  50.000  50.000  1000.0  3.1770
1:LEU_72:HD1*   1:TYR_7:HB1     -1.0000 4.8724  3.8724  50.000  50.000  1000.0  3.2270
1:LEU_72:HD2*   1:HEM_0C:HMB*   -1.0000 7.3280  5.3280  50.000  50.000  1000.0  4.4400
1:LEU_72:HD2*   1:LEU_69:HA     -1.0000 4.4272  3.4272  50.000  50.000  1000.0  2.8560
1:LEU_72:HD2*   1:LEU_72:HA     -1.0000 8.7052  7.7052  50.000  50.000  1000.0  6.4210
1:LEU_72:HD2*   1:LEU_72:HB1    -1.0000 4.8964  3.8964  50.000  50.000  1000.0  3.2470
1:LEU_72:HD2*   1:LEU_72:HB2    -1.0000 4.5172  3.5172  50.000  50.000  1000.0  2.9310
1:LEU_72:HG     1:LEU_72:HA     -1.0000 3.6756  3.6756  50.000  50.000  1000.0  3.0630
1:LEU_72:HN     1:ALA_71:HA     -1.0000 3.6012  3.6012  50.000  50.000  1000.0  3.0010
1:LEU_72:HN     1:ALA_71:HB*    -1.0000 4.4344  3.4344  50.000  50.000  1000.0  2.8620
1:LEU_72:HN     1:ALA_71:HN     -1.0000 3.0768  3.0768  50.000  50.000  1000.0  2.5640
1:LEU_72:HN     1:ALA_73:HB*    -1.0000 6.4372  5.4372  50.000  50.000  1000.0  4.5310
1:LEU_72:HN     1:ALA_73:HN     -1.0000 3.5040  3.5040  50.000  50.000  1000.0  2.9200
1:LEU_72:HN     1:ASP_74:HN     -1.0000 4.9812  4.9812  50.000  50.000  1000.0  4.1510
1:LEU_72:HN     1:GLU_68:HA     -1.0000 4.8672  4.8672  50.000  50.000  1000.0  4.0560
1:LEU_72:HN     1:LEU_6:HD1*    -1.0000 5.2984  4.2984  50.000  50.000  1000.0  3.5820
1:LEU_72:HN     1:LEU_72:HB1    -1.0000 2.8128  2.8128  50.000  50.000  1000.0  2.3440
1:LEU_72:HN     1:LEU_72:HB2    -1.0000 3.1704  3.1704  50.000  50.000  1000.0  2.6420
1:LEU_72:HN     1:LEU_72:HD1*   -1.0000 5.7628  4.7628  50.000  50.000  1000.0  3.9690
1:LEU_72:HN     1:LEU_72:HD2*   -1.0000 5.3092  4.3092  50.000  50.000  1000.0  3.5910
1:LEU_72:HN     1:LEU_72:HG     -1.0000 5.0000  2.9724  50.000  50.000  1000.0  2.4770
1:LEU_72:HN     1:LYS_70:HA     -1.0000 4.3548  4.3548  50.000  50.000  1000.0  3.6290
1:LEU_72:HN     1:MET_41:HG1    -1.0000 4.6536  4.6536  50.000  50.000  1000.0  3.8780
1:LEU_72:HN     1:MET_76:HE*    -1.0000 6.8560  5.8560  50.000  50.000  1000.0  4.8800
1:ALA_73:HB*    1:ALA_34:HA     -1.0000 5.2648  4.2648  50.000  50.000  1000.0  3.5540
1:ALA_73:HB*    1:LEU_37:HB1    -1.0000 6.7648  5.7648  50.000  50.000  1000.0  4.8040
1:ALA_73:HB*    1:LYS_70:HA     -1.0000 4.8844  3.8844  50.000  50.000  1000.0  3.2370
1:ALA_73:HB*    1:TYR_38:HB1    -1.0000 6.3100  5.3100  50.000  50.000  1000.0  4.4250
1:ALA_73:HB*    1:TYR_38:HB2    -1.0000 4.3360  3.3360  50.000  50.000  1000.0  2.7800
1:ALA_73:HB*    1:MET_41:HG1    -1.0000 4.3360  3.3360  50.000  50.000  1000.0  2.7800
1:ALA_73:HN     1:ALA_71:HA     -1.0000 5.0000  4.1748  50.000  50.000  1000.0  3.4790
1:ALA_73:HN     1:ASP_74:HB*    -1.0000 5.8168  4.8168  50.000  50.000  1000.0  4.0140
1:ALA_73:HN     1:ASP_74:HN     -1.0000 3.1788  3.1788  50.000  50.000  1000.0  2.6490
1:ALA_73:HN     1:LEU_72:HA     -1.0000 4.8000  4.8000  50.000  50.000  1000.0  4.0000
1:ALA_73:HN     1:LEU_72:HB1    -1.0000 3.2496  3.2496  50.000  50.000  1000.0  2.7080
1:ALA_73:HN     1:LEU_72:HB2    -1.0000 4.1376  4.1376  50.000  50.000  1000.0  3.4480
1:ALA_73:HN     1:MET_41:HG1    -1.0000 3.2292  3.2292  50.000  50.000  1000.0  2.6910
1:ALA_73:HN     1:MET_76:HE*    -1.0000 6.6112  5.6112  50.000  50.000  1000.0  4.6760
1:ALA_73:HN     1:TYR_75:HN     -1.0000 5.4864  5.4864  50.000  50.000  1000.0  4.5720
1:ASP_74:HB*    1:ALA_71:HA     -1.0000 4.5484  3.5484  50.000  50.000  1000.0  2.9570
1:ASP_74:HN     1:ALA_34:HB*    -1.0000 5.1208  4.1208  50.000  50.000  1000.0  3.4340
1:ASP_74:HN     1:ALA_71:HA     -1.0000 3.1836  3.1836  50.000  50.000  1000.0  2.6530
1:ASP_74:HN     1:ALA_73:HA     -1.0000 4.0596  4.0596  50.000  50.000  1000.0  3.3830
1:ASP_74:HN     1:ALA_73:HB*    -1.0000 4.6444  3.6444  50.000  50.000  1000.0  3.0370
1:ASP_74:HN     1:LYS_70:HA     -1.0000 4.1424  4.1424  50.000  50.000  1000.0  3.4520
1:ASP_74:HN     1:MET_41:HG1    -1.0000 5.9688  5.9688  50.000  50.000  1000.0  4.9740
1:ASP_74:HN     1:TYR_75:HN     -1.0000 4.4268  4.4268  50.000  50.000  1000.0  3.6890
1:TYR_75:HB2    1:LEU_72:HA     -1.0000 3.9432  3.9432  50.000  50.000  1000.0  3.2860
1:TYR_75:HD*    1:ALA_4:HA      -1.0000 6.7808  4.7808  50.000  50.000  1000.0  3.9840
1:TYR_75:HD*    1:ALA_4:HB*     -1.0000 7.9788  4.9788  50.000  50.000  1000.0  4.1490
1:TYR_75:HD*    1:LEU_79:HD1*   -1.0000 9.3708  6.3708  50.000  50.000  1000.0  5.3090
1:TYR_75:HD*    1:LEU_79:HD2*   -1.0000 8.3772  5.3772  50.000  50.000  1000.0  4.4810
1:TYR_75:HD*    1:LEU_72:HA     -1.0000 7.3208  5.3208  50.000  50.000  1000.0  4.4340
1:TYR_75:HD*    1:LEU_72:HD1*   -1.0000 8.6760  5.6760  50.000  50.000  1000.0  4.7300
1:TYR_75:HD*    1:MET_76:HA     -1.0000 6.8372  4.8372  50.000  50.000  1000.0  4.0310
1:TYR_75:HD*    1:MET_76:HG2    -1.0000 8.1180  5.1180  50.000  50.000  1000.0  4.2650
1:TYR_75:HD*    1:TYR_75:HA     -1.0000 5.5484  3.5484  50.000  50.000  1000.0  2.9570
1:TYR_75:HD*    1:TYR_7:HB1     -1.0000 5.9576  3.9576  50.000  50.000  1000.0  3.2980
1:TYR_75:HE*    1:ALA_4:HA      -1.0000 6.1148  4.1148  50.000  50.000  1000.0  3.4290
1:TYR_75:HE*    1:ALA_4:HB*     -1.0000 7.2732  4.2732  50.000  50.000  1000.0  3.5610
1:TYR_75:HE*    1:LEU_79:HD1*   -1.0000 7.5924  4.5924  50.000  50.000  1000.0  3.8270
1:TYR_75:HE*    1:LEU_79:HD2*   -1.0000 7.9632  4.9632  50.000  50.000  1000.0  4.1360
1:TYR_75:HE*    1:TYR_7:HB1     -1.0000 6.2300  4.2300  50.000  50.000  1000.0  3.5250
1:TYR_75:HE*    1:TYR_7:HB2     -1.0000 6.6992  4.6992  50.000  50.000  1000.0  3.9160
1:TYR_75:HN     1:ALA_71:HA     -1.0000 4.1100  4.1100  50.000  50.000  1000.0  3.4250
1:TYR_75:HN     1:ALA_73:HB*    -1.0000 6.0376  5.0376  50.000  50.000  1000.0  4.1980
1:TYR_75:HN     1:ASP_74:HA     -1.0000 4.3164  4.3164  50.000  50.000  1000.0  3.5970
1:TYR_75:HN     1:ASP_74:HB*    -1.0000 4.2952  3.2952  50.000  50.000  1000.0  2.7460
1:TYR_75:HN     1:GLY_3:HA1     -1.0000 4.6404  4.6404  50.000  50.000  1000.0  3.8670
1:TYR_75:HN     1:LEU_72:HA     -1.0000 3.8520  3.8520  50.000  50.000  1000.0  3.2100
1:TYR_75:HN     1:TYR_75:HB1    -1.0000 3.1000  2.9700  50.000  50.000  1000.0  2.4750
1:TYR_75:HN     1:TYR_75:HB2    -1.0000 2.9808  2.9808  50.000  50.000  1000.0  2.4840
1:TYR_75:HN     1:TYR_75:HD*    -1.0000 5.3608  4.3608  50.000  50.000  1000.0  3.6340
1:MET_76:HG2    1:MET_76:HA     -1.0000 3.5784  3.5784  50.000  50.000  1000.0  2.9820
1:MET_76:HN     1:ALA_73:HA     -1.0000 4.4352  4.4352  50.000  50.000  1000.0  3.6960
1:MET_76:HN     1:ASP_74:HN     -1.0000 5.3292  5.3292  50.000  50.000  1000.0  4.4410
1:MET_76:HN     1:LEU_79:HD2*   -1.0000 6.2020  5.2020  50.000  50.000  1000.0  4.3350
1:MET_76:HN     1:LEU_37:HD2*   -1.0000 5.4688  4.4688  50.000  50.000  1000.0  3.7240
1:MET_76:HN     1:LYS_78:HN     -1.0000 5.1564  5.1564  50.000  50.000  1000.0  4.2970
1:MET_76:HN     1:MET_76:HB1    -1.0000 3.1000  3.0216  50.000  50.000  1000.0  2.5180
1:MET_76:HN     1:MET_76:HB2    -1.0000 3.7500  3.4680  50.000  50.000  1000.0  2.8900
1:MET_76:HN     1:MET_76:HE*    -1.0000 5.9524  4.9524  50.000  50.000  1000.0  4.1270
1:MET_76:HN     1:MET_76:HG2    -1.0000 2.8128  2.8128  50.000  50.000  1000.0  2.3440
1:MET_76:HN     1:SER_77:HN     -1.0000 3.3624  3.3624  50.000  50.000  1000.0  2.8020
1:MET_76:HN     1:TYR_75:HA     -1.0000 4.0000  3.2868  50.000  50.000  1000.0  2.7390
1:MET_76:HN     1:TYR_75:HB1    -1.0000 3.5736  3.5736  50.000  50.000  1000.0  2.9780
1:MET_76:HN     1:TYR_75:HD*    -1.0000 5.1508  4.1508  50.000  50.000  1000.0  3.4590
1:MET_76:HN     1:TYR_75:HN     -1.0000 3.2652  3.2652  50.000  50.000  1000.0  2.7210
1:SER_77:HN     1:ALA_34:HB*    -1.0000 7.0096  6.0096  50.000  50.000  1000.0  5.0080
1:SER_77:HN     1:ALA_73:HA     -1.0000 4.6044  4.6044  50.000  50.000  1000.0  3.8370
1:SER_77:HN     1:LEU_37:HD2*   -1.0000 5.1244  4.1244  50.000  50.000  1000.0  3.4370
1:SER_77:HN     1:LYS_78:HN     -1.0000 3.2820  3.2820  50.000  50.000  1000.0  2.7350
1:SER_77:HN     1:MET_76:HA     -1.0000 3.9204  3.9204  50.000  50.000  1000.0  3.2670
1:SER_77:HN     1:MET_76:HB1    -1.0000 3.5784  3.5784  50.000  50.000  1000.0  2.9820
1:SER_77:HN     1:MET_76:HB2    -1.0000 3.8424  3.8424  50.000  50.000  1000.0  3.2020
1:SER_77:HN     1:MET_76:HE*    -1.0000 6.6028  5.6028  50.000  50.000  1000.0  4.6690
1:SER_77:HN     1:SER_77:HB1    -1.0000 3.2820  3.2820  50.000  50.000  1000.0  2.7350
1:SER_77:HN     1:SER_77:HB2    -1.0000 3.0804  3.0804  50.000  50.000  1000.0  2.5670
1:LYS_78:HG*    1:LYS_78:HA     -1.0000 4.3276  3.3276  50.000  50.000  1000.0  2.7730
1:LYS_78:HN     1:LEU_79:HA     -1.0000 5.1996  5.1996  50.000  50.000  1000.0  4.3330
1:LYS_78:HN     1:LEU_79:HB2    -1.0000 4.4136  4.4136  50.000  50.000  1000.0  3.6780
1:LYS_78:HN     1:LEU_79:HD1*   -1.0000 6.0000  4.3860  50.000  50.000  1000.0  3.6550
1:LYS_78:HN     1:LEU_79:HD2*   -1.0000 5.5096  4.5096  50.000  50.000  1000.0  3.7580
1:LYS_78:HN     1:LEU_79:HN     -1.0000 4.6848  4.6848  50.000  50.000  1000.0  3.9040
1:LYS_78:HN     1:LYS_78:HB1    -1.0000 3.7500  3.7392  50.000  50.000  1000.0  3.1160
1:LYS_78:HN     1:LYS_78:HB2    -1.0000 2.8668  2.8668  50.000  50.000  1000.0  2.3890
1:LYS_78:HN     1:LYS_78:HD*    -1.0000 5.7472  4.7472  50.000  50.000  1000.0  3.9560
1:LYS_78:HN     1:LYS_78:HG*    -1.0000 5.7556  4.7556  50.000  50.000  1000.0  3.9630
1:LYS_78:HN     1:MET_76:HA     -1.0000 4.4004  4.4004  50.000  50.000  1000.0  3.6670
1:LYS_78:HN     1:SER_77:HA     -1.0000 3.9720  3.9720  50.000  50.000  1000.0  3.3100
1:LEU_79:HB1    1:GLY_31:HA2    -1.0000 5.0000  4.2108  50.000  50.000  1000.0  3.5090
1:LEU_79:HB2    1:MET_76:HA     -1.0000 3.5000  2.8980  50.000  50.000  1000.0  2.4150
1:LEU_79:HD1*   1:ASP_17:HA     -1.0000 5.0164  4.0164  50.000  50.000  1000.0  3.3470
1:LEU_79:HD1*   1:LEU_79:HA     -1.0000 4.2220  3.2220  50.000  50.000  1000.0  2.6850
1:LEU_79:HD1*   1:LEU_79:HB1    -1.0000 6.7744  5.7744  50.000  50.000  1000.0  4.8120
1:LEU_79:HD1*   1:LEU_79:HB2    -1.0000 4.4656  3.4656  50.000  50.000  1000.0  2.8880
1:LEU_79:HD1*   1:MET_76:HA     -1.0000 6.1660  5.1660  50.000  50.000  1000.0  4.3050
1:LEU_79:HD2*   1:ASP_17:HA     -1.0000 5.7472  4.7472  50.000  50.000  1000.0  3.9560
1:LEU_79:HD2*   1:GLY_18:HA*    -1.0000 6.7568  4.7568  50.000  50.000  1000.0  3.9640
1:LEU_79:HD2*   1:LEU_79:HA     -1.0000 6.3940  5.3940  50.000  50.000  1000.0  4.4950
1:LEU_79:HD2*   1:LEU_79:HB1    -1.0000 7.1044  6.1044  50.000  50.000  1000.0  5.0870
1:LEU_79:HD2*   1:LEU_79:HB2    -1.0000 4.5112  3.5112  50.000  50.000  1000.0  2.9260
1:LEU_79:HD2*   1:LYS_30:HA     -1.0000 8.1100  7.1100  50.000  50.000  1000.0  5.9250
1:LEU_79:HD2*   1:MET_76:HA     -1.0000 4.4992  3.4992  50.000  50.000  1000.0  2.9160
1:LEU_79:HD2*   1:MET_76:HG2    -1.0000 7.5268  6.5268  50.000  50.000  1000.0  5.4390
1:LEU_79:HG     1:ASP_17:HA     -1.0000 5.0000  4.7328  50.000  50.000  1000.0  3.9440
1:LEU_79:HG     1:LEU_79:HA     -1.0000 3.0012  3.0012  50.000  50.000  1000.0  2.5010
1:LEU_79:HG     1:MET_76:HA     -1.0000 4.0968  4.0968  50.000  50.000  1000.0  3.4140
1:LEU_79:HN     1:LEU_79:HB1    -1.0000 2.7396  2.7396  50.000  50.000  1000.0  2.2830
1:LEU_79:HN     1:LEU_79:HB2    -1.0000 3.2016  3.2016  50.000  50.000  1000.0  2.6680
1:LEU_79:HN     1:LEU_79:HD1*   -1.0000 6.0988  5.0988  50.000  50.000  1000.0  4.2490
1:LEU_79:HN     1:LEU_79:HD2*   -1.0000 5.7076  4.7076  50.000  50.000  1000.0  3.9230
1:LEU_79:HN     1:LEU_79:HG     -1.0000 4.0000  3.6492  50.000  50.000  1000.0  3.0410
1:LEU_79:HN     1:LYS_78:HA     -1.0000 3.6612  3.6612  50.000  50.000  1000.0  3.0510
1:LEU_79:HN     1:MET_76:HA     -1.0000 4.3956  4.3956  50.000  50.000  1000.0  3.6630

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  -3.735 -13.613  -8.418
    2   2H    ALA   1          3H        ALA   1  -4.422 -12.153  -8.377
    3   3H    ALA   1          2H        ALA   1  -4.180 -12.890  -9.859
    4    HA   ALA   1           HA       ALA   1  -1.813 -12.786  -9.584
    5   1HB   ALA   1          1HB       ALA   1  -2.910 -10.730 -10.489
    6   2HB   ALA   1          3HB       ALA   1  -3.040 -10.088  -8.839
    7   3HB   ALA   1          2HB       ALA   1  -1.445 -10.353  -9.574
    8    H    ASP   2           HN       ASP   2  -0.323 -10.983  -7.877
    9    HA   ASP   2           HA       ASP   2  -1.073 -11.579  -5.133
   10   1HB   ASP   2          2HB       ASP   2   0.832 -12.844  -4.540
   11   2HB   ASP   2          1HB       ASP   2   0.184 -13.658  -5.963
   12    H    GLY   3           H        GLY   3  -0.153 -10.193  -3.754
   13   1HA   GLY   3          2HA       GLY   3   0.403  -7.738  -3.784
   14   2HA   GLY   3          1HA       GLY   3   1.509  -8.782  -2.894
   15    H    ALA   4           H        ALA   4   3.258  -9.816  -4.466
   16    HA   ALA   4           HA       ALA   4   5.152  -7.863  -4.932
   17   1HB   ALA   4          1HB       ALA   4   5.585 -10.315  -4.807
   18   2HB   ALA   4          3HB       ALA   4   4.888 -10.506  -6.430
   19   3HB   ALA   4          2HB       ALA   4   6.369  -9.557  -6.208
   20    H    ALA   5           H        ALA   5   2.801  -9.174  -7.300
   21    HA   ALA   5           HA       ALA   5   3.905  -7.861  -9.599
   22   1HB   ALA   5          2HB       ALA   5   2.363  -9.796  -9.717
   23   2HB   ALA   5          1HB       ALA   5   1.048  -8.786  -9.071
   24   3HB   ALA   5          3HB       ALA   5   1.765  -8.408 -10.650
   25    H    LEU   6           H        LEU   6   1.489  -6.889  -7.154
   26    HA   LEU   6           HA       LEU   6   0.611  -4.526  -8.602
   27   1HB   LEU   6          1HB       LEU   6   0.354  -5.157  -5.637
   28   2HB   LEU   6          2HB       LEU   6  -0.481  -3.899  -6.541
   29    HG   LEU   6           HG       LEU   6  -1.146  -6.170  -8.006
   30   1HD1  LEU   6          2HD1      LEU   6  -0.124  -7.559  -6.140
   31   2HD1  LEU   6          1HD1      LEU   6  -1.369  -6.932  -5.052
   32   3HD1  LEU   6          3HD1      LEU   6  -1.827  -7.907  -6.453
   33   1HD2  LEU   6          3HD2      LEU   6  -2.616  -4.867  -5.686
   34   2HD2  LEU   6          1HD2      LEU   6  -2.709  -4.401  -7.397
   35   3HD2  LEU   6          2HD2      LEU   6  -3.366  -5.963  -6.871
   36    H    TYR   7           H        TYR   7   2.906  -5.232  -5.946
   37    HA   TYR   7           HA       TYR   7   3.524  -2.665  -5.199
   38   1HB   TYR   7          2HB       TYR   7   4.392  -4.843  -4.232
   39   2HB   TYR   7          1HB       TYR   7   5.690  -4.763  -5.408
   40    HD1  TYR   7           HD1      TYR   7   4.077  -2.908  -2.577
   41    HD2  TYR   7           HD2      TYR   7   7.496  -3.121  -5.197
   42    HE1  TYR   7           HE1      TYR   7   5.078  -0.941  -1.445
   43    HE2  TYR   7           HE2      TYR   7   8.531  -1.226  -3.986
   44    HH   TYR   7           HH       TYR   7   8.213   0.436  -2.456
   45    H    LYS   8           HN       LYS   8   4.901  -4.428  -7.915
   46    HA   LYS   8           HA       LYS   8   6.951  -2.771  -8.754
   47   1HB   LYS   8          2HB       LYS   8   4.903  -3.997 -10.635
   48   2HB   LYS   8          1HB       LYS   8   6.545  -3.492 -11.048
   49   1HG   LYS   8          1HG       LYS   8   5.745  -5.780  -9.211
   50   2HG   LYS   8          2HG       LYS   8   6.442  -5.896 -10.816
   51   1HD   LYS   8          2HD       LYS   8   8.534  -4.837 -10.032
   52   2HD   LYS   8          1HD       LYS   8   7.893  -4.724  -8.382
   53   1HE   LYS   8          1HE       LYS   8   8.170  -7.365  -9.866
   54   2HE   LYS   8          2HE       LYS   8   9.427  -6.693  -8.818
   55   1HZ   LYS   8          1HZ       LYS   8   6.690  -7.238  -7.912
   56   2HZ   LYS   8          3HZ       LYS   8   7.973  -8.256  -7.705
   57   3HZ   LYS   8          2HZ       LYS   8   7.971  -6.779  -6.985
   58    H    SER   9           H        SER   9   3.465  -2.048  -9.242
   59    HA   SER   9           HA       SER   9   3.980   0.381 -10.762
   60   1HB   SER   9          2HB       SER   9   1.527  -0.516  -9.168
   61   2HB   SER   9          1HB       SER   9   1.570   0.714 -10.442
   62    HG   SER   9           HG       SER   9   2.379  -1.065 -11.821
   63    H    CYS  10           H        CYS  10   3.499  -0.504  -7.433
   64    HA   CYS  10           HA       CYS  10   2.719   1.905  -6.164
   65   1HB   CYS  10          1HB       CYS  10   2.681  -0.639  -5.609
   66   2HB   CYS  10          2HB       CYS  10   4.277  -0.329  -4.868
   67    H    ILE  11           H        ILE  11   5.797   0.370  -6.944
   68    HA   ILE  11           HA       ILE  11   7.645   1.775  -5.532
   69    HB   ILE  11           HB       ILE  11   7.693   0.997  -8.459
   70   1HG1  ILE  11          1HG1      ILE  11   9.045  -0.229  -6.003
   71   2HG1  ILE  11          2HG1      ILE  11   7.537  -0.817  -6.708
   72   1HG2  ILE  11          1HG2      ILE  11  10.069   1.920  -6.787
   73   2HG2  ILE  11          2HG2      ILE  11  10.164   1.233  -8.419
   74   3HG2  ILE  11          3HG2      ILE  11   9.387   2.780  -8.185
   75   1HD1  ILE  11          2HD1      ILE  11   8.809  -1.208  -8.878
   76   2HD1  ILE  11          1HD1      ILE  11  10.301  -0.927  -7.948
   77   3HD1  ILE  11          3HD1      ILE  11   9.227  -2.257  -7.506
   78    H    GLY  12           H        GLY  12   5.705   3.006  -8.285
   79   1HA   GLY  12          2HA       GLY  12   7.033   5.364  -8.913
   80   2HA   GLY  12          1HA       GLY  12   5.279   5.133  -8.955
   81    H    CYS  13           H        CYS  13   4.968   4.721  -6.003
   82    HA   CYS  13           HA       CYS  13   5.324   7.604  -5.223
   83   1HB   CYS  13          1HB       CYS  13   3.014   6.524  -5.702
   84   2HB   CYS  13          2HB       CYS  13   3.233   5.837  -4.068
   85    H    HIS  14           HN       HIS  14   5.848   4.254  -4.255
   86    HA   HIS  14           HA       HIS  14   6.748   5.137  -1.543
   87   1HB   HIS  14          2HB       HIS  14   5.828   2.498  -2.715
   88   2HB   HIS  14          1HB       HIS  14   6.600   2.632  -1.137
   89    HD1  HIS  14           HD1      HIS  14   5.493   4.333   0.633
   90    HD2  HIS  14           HD2      HIS  14   3.136   3.242  -2.636
   91    HE1  HIS  14           HE1      HIS  14   3.123   4.769   1.293
   92    H    GLY  15           H        GLY  15   8.103   3.974  -4.562
   93   1HA   GLY  15          2HA       GLY  15  10.328   3.738  -5.103
   94   2HA   GLY  15          1HA       GLY  15  10.794   4.116  -3.436
   95    H    ALA  16           H        ALA  16  12.316   2.202  -4.115
   96    HA   ALA  16           HA       ALA  16  11.245  -0.441  -4.308
   97   1HB   ALA  16          2HB       ALA  16  14.020   0.516  -3.475
   98   2HB   ALA  16          3HB       ALA  16  13.571  -1.162  -3.848
   99   3HB   ALA  16          1HB       ALA  16  13.476   0.084  -5.108
  100    H    ASP  17           HN       ASP  17  13.158   0.833  -1.555
  101    HA   ASP  17           HA       ASP  17  11.965  -1.110   0.277
  102   1HB   ASP  17          2HB       ASP  17  14.084   1.041   0.692
  103   2HB   ASP  17          1HB       ASP  17  13.554  -0.150   1.885
  104    H    GLY  18           H        GLY  18  10.025   0.298  -0.578
  105   1HA   GLY  18          2HA       GLY  18   8.449   2.009  -0.289
  106   2HA   GLY  18          1HA       GLY  18   8.257   0.988   1.130
  107    H    SER  19           H        SER  19  10.319   3.793   0.112
  108    HA   SER  19           HA       SER  19   9.654   5.191   2.654
  109   1HB   SER  19          2HB       SER  19  12.465   4.573   1.642
  110   2HB   SER  19          1HB       SER  19  12.072   5.709   2.935
  111    HG   SER  19           HG       SER  19  11.600   2.924   2.912
  112    H    LYS  20           HN       LYS  20   9.859   5.597  -0.765
  113    HA   LYS  20           HA       LYS  20  11.228   8.168  -0.609
  114   1HB   LYS  20          2HB       LYS  20  10.845   8.473  -2.858
  115   2HB   LYS  20          1HB       LYS  20  11.050   6.725  -2.690
  116   1HG   LYS  20          2HG       LYS  20   8.529   6.559  -2.630
  117   2HG   LYS  20          1HG       LYS  20   8.405   8.252  -2.993
  118   1HD   LYS  20          2HD       LYS  20  10.030   6.439  -4.810
  119   2HD   LYS  20          1HD       LYS  20   8.279   6.525  -4.976
  120   1HE   LYS  20          1HE       LYS  20  10.063   8.992  -5.071
  121   2HE   LYS  20          2HE       LYS  20   9.527   8.081  -6.493
  122   1HZ   LYS  20          2HZ       LYS  20   7.720   9.363  -4.564
  123   2HZ   LYS  20          1HZ       LYS  20   8.113   9.933  -6.058
  124   3HZ   LYS  20          3HZ       LYS  20   7.287   8.515  -5.922
  125    H    ALA  21           H        ALA  21  10.184  10.267  -1.081
  126    HA   ALA  21           HA       ALA  21   7.906  10.773   0.616
  127   1HB   ALA  21          2HB       ALA  21   9.160  12.467  -1.594
  128   2HB   ALA  21          3HB       ALA  21   7.980  13.028  -0.391
  129   3HB   ALA  21          1HB       ALA  21   9.595  12.503   0.131
  130    H    ALA  22           H        ALA  22   5.828  10.384   0.129
  131    HA   ALA  22           HA       ALA  22   5.049   9.518  -2.581
  132   1HB   ALA  22          1HB       ALA  22   4.404   8.191  -0.610
  133   2HB   ALA  22          3HB       ALA  22   3.562   9.595   0.085
  134   3HB   ALA  22          2HB       ALA  22   2.968   8.833  -1.396
  135    H    MET  23           H        MET  23   2.216  10.667  -1.778
  136    HA   MET  23           HA       MET  23   2.534  13.255  -3.106
  137   1HB   MET  23          2HB       MET  23   0.203  11.742  -1.878
  138   2HB   MET  23          1HB       MET  23   0.047  13.405  -2.474
  139   1HG   MET  23          2HG       MET  23   0.721  12.799  -4.687
  140   2HG   MET  23          1HG       MET  23   1.106  11.146  -4.198
  141   1HE   MET  23          3HE       MET  23  -0.433  11.205  -6.676
  142   2HE   MET  23          2HE       MET  23  -2.198  11.418  -6.618
  143   3HE   MET  23          1HE       MET  23  -1.128  12.822  -6.405
  144    H    GLY  24           H        GLY  24   4.229  13.822  -1.464
  145   1HA   GLY  24          1HA       GLY  24   4.671  15.624   0.014
  146   2HA   GLY  24          2HA       GLY  24   3.047  15.484   0.711
  147    H    SER  25           H        SER  25   4.249  15.476   2.810
  148    HA   SER  25           HA       SER  25   6.090  13.425   3.562
  149   1HB   SER  25          2HB       SER  25   5.345  14.301   5.877
  150   2HB   SER  25          1HB       SER  25   6.033  15.502   4.764
  151    HG   SER  25           HG       SER  25   3.257  14.956   5.026
  152    H    ALA  26           H        ALA  26   5.540  11.265   3.723
  153    HA   ALA  26           HA       ALA  26   2.936  10.534   4.960
  154   1HB   ALA  26          1HB       ALA  26   4.180   9.365   2.430
  155   2HB   ALA  26          2HB       ALA  26   2.789   8.685   3.291
  156   3HB   ALA  26          3HB       ALA  26   2.659  10.287   2.529
  157    H    LYS  27           HN       LYS  27   3.071   8.481   6.198
  158    HA   LYS  27           HA       LYS  27   5.516   7.962   7.417
  159   1HB   LYS  27          2HB       LYS  27   2.898   6.439   7.008
  160   2HB   LYS  27          1HB       LYS  27   4.157   5.963   8.099
  161   1HG   LYS  27          2HG       LYS  27   2.504   8.490   8.315
  162   2HG   LYS  27          1HG       LYS  27   2.333   7.004   9.259
  163   1HD   LYS  27          1HD       LYS  27   4.665   7.364  10.158
  164   2HD   LYS  27          2HD       LYS  27   4.716   8.925   9.311
  165   1HE   LYS  27          1HE       LYS  27   2.719   8.121  11.476
  166   2HE   LYS  27          2HE       LYS  27   4.087   9.228  11.667
  167   1HZ   LYS  27          1HZ       LYS  27   3.060  10.665  10.041
  168   2HZ   LYS  27          3HZ       LYS  27   1.767   9.650   9.915
  169   3HZ   LYS  27          2HZ       LYS  27   2.073  10.419  11.337
  170    HA   PRO  28           HA       PRO  28   7.008   5.403   4.056
  171   1HB   PRO  28          2HB       PRO  28   9.222   4.233   5.178
  172   2HB   PRO  28          1HB       PRO  28   9.162   5.984   4.825
  173   1HG   PRO  28          2HG       PRO  28   8.577   4.644   7.478
  174   2HG   PRO  28          1HG       PRO  28   9.684   6.013   7.167
  175   1HD   PRO  28          1HD       PRO  28   7.114   6.387   8.019
  176   2HD   PRO  28          2HD       PRO  28   7.864   7.514   6.843
  177    H    VAL  29           H        VAL  29   6.806   3.286   3.423
  178    HA   VAL  29           HA       VAL  29   4.931   1.613   4.955
  179    HB   VAL  29           HB       VAL  29   6.366   1.597   2.275
  180   1HG1  VAL  29          1HG1      VAL  29   6.301  -0.793   2.859
  181   2HG1  VAL  29          3HG1      VAL  29   4.557  -0.655   3.185
  182   3HG1  VAL  29          2HG1      VAL  29   5.183  -0.411   1.548
  183   1HG2  VAL  29          3HG2      VAL  29   4.289   3.001   2.619
  184   2HG2  VAL  29          1HG2      VAL  29   4.053   1.746   1.374
  185   3HG2  VAL  29          2HG2      VAL  29   3.394   1.521   3.001
  186    H    LYS  30           HN       LYS  30   8.294   1.725   3.992
  187    HA   LYS  30           HA       LYS  30   9.621  -0.428   4.266
  188   1HB   LYS  30          1HB       LYS  30  10.568   1.734   4.225
  189   2HB   LYS  30          2HB       LYS  30  10.007   2.106   5.845
  190   1HG   LYS  30          2HG       LYS  30  12.471   1.647   5.669
  191   2HG   LYS  30          1HG       LYS  30  11.679   0.521   6.788
  192   1HD   LYS  30          2HD       LYS  30  11.645  -1.236   5.105
  193   2HD   LYS  30          1HD       LYS  30  12.130  -0.104   3.839
  194   1HE   LYS  30          1HE       LYS  30  14.351   0.131   4.860
  195   2HE   LYS  30          2HE       LYS  30  13.869  -0.944   6.194
  196   1HZ   LYS  30          2HZ       LYS  30  13.911  -1.700   3.352
  197   2HZ   LYS  30          3HZ       LYS  30  15.074  -2.100   4.455
  198   3HZ   LYS  30          1HZ       LYS  30  13.535  -2.679   4.608
  199    H    GLY  31           H        GLY  31   8.793  -2.189   5.239
  200   1HA   GLY  31          2HA       GLY  31   7.896  -3.600   6.777
  201   2HA   GLY  31          1HA       GLY  31   9.405  -3.183   7.589
  202    H    GLN  32           H        GLN  32   6.364  -1.195   7.262
  203    HA   GLN  32           HA       GLN  32   6.322  -0.459   9.989
  204   1HB   GLN  32          1HB       GLN  32   3.624  -1.052   8.737
  205   2HB   GLN  32          2HB       GLN  32   4.088   0.175   9.909
  206   1HG   GLN  32          2HG       GLN  32   5.530   1.153   8.001
  207   2HG   GLN  32          1HG       GLN  32   4.585   0.065   6.963
  208   1HE2  GLN  32          1HE2      GLN  32   2.918   3.479   7.008
  209   2HE2  GLN  32          2HE2      GLN  32   4.630   3.101   7.029
  210    H    GLY  33           H        GLY  33   4.521  -2.930   8.580
  211   1HA   GLY  33          1HA       GLY  33   5.368  -5.280   9.688
  212   2HA   GLY  33          2HA       GLY  33   4.207  -4.757  10.913
  213    H    ALA  34           H        ALA  34   4.191  -6.946   8.850
  214    HA   ALA  34           HA       ALA  34   2.285  -6.757   6.929
  215   1HB   ALA  34          1HB       ALA  34   3.518  -8.806   7.536
  216   2HB   ALA  34          3HB       ALA  34   2.546  -8.954   9.016
  217   3HB   ALA  34          2HB       ALA  34   1.769  -9.118   7.417
  218    H    GLU  35           HN       GLU  35   1.593  -6.946  10.418
  219    HA   GLU  35           HA       GLU  35  -1.249  -7.174  10.187
  220   1HB   GLU  35          1HB       GLU  35  -1.141  -6.055  12.499
  221   2HB   GLU  35          2HB       GLU  35  -0.528  -7.698  12.316
  222   1HG   GLU  35          2HG       GLU  35   1.326  -5.265  12.320
  223   2HG   GLU  35          1HG       GLU  35   0.765  -6.048  13.788
  224    H    GLU  36           HN       GLU  36   0.879  -4.285  10.625
  225    HA   GLU  36           HA       GLU  36  -1.122  -2.311  10.732
  226   1HB   GLU  36          2HB       GLU  36   1.877  -2.561  10.105
  227   2HB   GLU  36          1HB       GLU  36   1.061  -1.067   9.933
  228   1HG   GLU  36          2HG       GLU  36   1.136  -2.700  12.506
  229   2HG   GLU  36          1HG       GLU  36   2.264  -1.404  12.076
  230    H    LEU  37           H        LEU  37   1.096  -3.392   8.181
  231    HA   LEU  37           HA       LEU  37   0.117  -1.762   6.087
  232   1HB   LEU  37          1HB       LEU  37   1.521  -4.483   6.164
  233   2HB   LEU  37          2HB       LEU  37   1.266  -3.587   4.674
  234    HG   LEU  37           HG       LEU  37   2.763  -2.368   7.057
  235   1HD1  LEU  37          3HD2      LEU  37   3.865  -3.966   4.734
  236   2HD1  LEU  37          1HD2      LEU  37   4.849  -3.005   5.860
  237   3HD1  LEU  37          2HD2      LEU  37   3.938  -4.411   6.441
  238   1HD2  LEU  37          3HD1      LEU  37   2.619  -1.693   4.095
  239   2HD2  LEU  37          1HD1      LEU  37   2.025  -0.718   5.459
  240   3HD2  LEU  37          2HD1      LEU  37   3.755  -0.973   5.242
  241    H    TYR  38           HN       TYR  38  -0.776  -5.162   6.947
  242    HA   TYR  38           HA       TYR  38  -2.651  -5.437   4.877
  243   1HB   TYR  38          2HB       TYR  38  -1.905  -7.353   6.232
  244   2HB   TYR  38          1HB       TYR  38  -2.776  -6.704   7.624
  245    HD1  TYR  38           HE2      TYR  38  -3.361  -7.521   3.977
  246    HD2  TYR  38           HD1      TYR  38  -4.967  -7.551   7.981
  247    HE1  TYR  38           HE1      TYR  38  -5.466  -8.483   3.124
  248    HE2  TYR  38           HD2      TYR  38  -7.072  -8.542   7.118
  249    HH   TYR  38           HH       TYR  38  -7.608  -9.157   3.641
  250    H    LYS  39           HN       LYS  39  -3.222  -4.311   8.222
  251    HA   LYS  39           HA       LYS  39  -6.000  -3.844   7.768
  252   1HB   LYS  39          1HB       LYS  39  -3.989  -2.566   9.690
  253   2HB   LYS  39          2HB       LYS  39  -5.734  -2.239   9.762
  254   1HG   LYS  39          1HG       LYS  39  -6.259  -4.475  10.361
  255   2HG   LYS  39          2HG       LYS  39  -4.675  -5.080   9.878
  256   1HD   LYS  39          2HD       LYS  39  -4.887  -5.038  12.292
  257   2HD   LYS  39          1HD       LYS  39  -3.572  -3.996  11.751
  258   1HE   LYS  39          2HE       LYS  39  -6.346  -2.876  12.361
  259   2HE   LYS  39          1HE       LYS  39  -5.156  -3.165  13.639
  260   1HZ   LYS  39          1HZ       LYS  39  -3.632  -1.732  12.527
  261   2HZ   LYS  39          2HZ       LYS  39  -4.725  -1.411  11.337
  262   3HZ   LYS  39          3HZ       LYS  39  -5.034  -0.943  12.884
  263    H    LYS  40           HN       LYS  40  -3.231  -1.584   7.415
  264    HA   LYS  40           HA       LYS  40  -4.897   0.636   6.627
  265   1HB   LYS  40          2HB       LYS  40  -1.928  -0.005   6.521
  266   2HB   LYS  40          1HB       LYS  40  -2.550   1.321   5.586
  267   1HG   LYS  40          1HG       LYS  40  -1.988   2.383   7.583
  268   2HG   LYS  40          2HG       LYS  40  -3.711   2.116   7.802
  269   1HD   LYS  40          2HD       LYS  40  -3.184   0.110   9.207
  270   2HD   LYS  40          1HD       LYS  40  -1.457   0.357   8.869
  271   1HE   LYS  40          2HE       LYS  40  -2.018   1.217  11.084
  272   2HE   LYS  40          1HE       LYS  40  -1.454   2.506  10.011
  273   1HZ   LYS  40          2HZ       LYS  40  -4.268   1.920  10.627
  274   2HZ   LYS  40          3HZ       LYS  40  -3.374   3.141  11.280
  275   3HZ   LYS  40          1HZ       LYS  40  -3.721   3.148   9.671
  276    H    MET  41           H        MET  41  -3.046  -1.744   4.635
  277    HA   MET  41           HA       MET  41  -3.856  -0.547   2.192
  278   1HB   MET  41          1HB       MET  41  -2.825  -2.166   1.088
  279   2HB   MET  41          2HB       MET  41  -1.875  -2.101   2.561
  280   1HG   MET  41          1HG       MET  41  -2.036  -4.465   2.094
  281   2HG   MET  41          2HG       MET  41  -3.335  -4.158   3.272
  282   1HE   MET  41          1HE       MET  41  -2.329  -3.888  -0.308
  283   2HE   MET  41          3HE       MET  41  -3.583  -4.689  -1.258
  284   3HE   MET  41          2HE       MET  41  -3.855  -3.043  -0.681
  285    H    LYS  42           HN       LYS  42  -5.307  -3.126   4.167
  286    HA   LYS  42           HA       LYS  42  -7.501  -3.741   2.476
  287   1HB   LYS  42          1HB       LYS  42  -6.808  -4.980   4.612
  288   2HB   LYS  42          2HB       LYS  42  -7.516  -3.657   5.531
  289   1HG   LYS  42          1HG       LYS  42  -9.713  -4.092   4.409
  290   2HG   LYS  42          2HG       LYS  42  -8.970  -5.450   3.539
  291   1HD   LYS  42          2HD       LYS  42  -8.380  -6.487   5.750
  292   2HD   LYS  42          1HD       LYS  42  -9.231  -5.175   6.575
  293   1HE   LYS  42          1HE       LYS  42 -10.466  -7.173   4.613
  294   2HE   LYS  42          2HE       LYS  42 -10.621  -7.221   6.375
  295   1HZ   LYS  42          3HZ       LYS  42 -11.725  -5.098   6.276
  296   2HZ   LYS  42          1HZ       LYS  42 -11.615  -5.078   4.631
  297   3HZ   LYS  42          2HZ       LYS  42 -12.523  -6.228   5.381
  298    H    GLY  43           H        GLY  43  -7.078  -1.355   5.116
  299   1HA   GLY  43          2HA       GLY  43  -9.528  -0.099   5.219
  300   2HA   GLY  43          1HA       GLY  43  -7.963   0.679   5.512
  301    H    TYR  44           H        TYR  44  -6.717   0.734   3.137
  302    HA   TYR  44           HA       TYR  44  -8.003   2.797   1.667
  303   1HB   TYR  44          2HB       TYR  44  -5.607   1.006   1.169
  304   2HB   TYR  44          1HB       TYR  44  -6.117   2.253   0.060
  305    HD1  TYR  44           HD1      TYR  44  -6.695   4.624   1.651
  306    HD2  TYR  44           HD2      TYR  44  -3.527   1.725   2.036
  307    HE1  TYR  44           HE1      TYR  44  -5.298   6.287   2.870
  308    HE2  TYR  44           HE2      TYR  44  -2.109   3.452   3.106
  309    HH   TYR  44           HH       TYR  44  -1.977   5.551   3.921
  310    H    ALA  45           H        ALA  45  -7.346  -0.621   0.655
  311    HA   ALA  45           HA       ALA  45  -8.724  -0.503  -1.778
  312   1HB   ALA  45          1HB       ALA  45  -7.313  -2.396  -1.060
  313   2HB   ALA  45          3HB       ALA  45  -8.534  -2.860   0.145
  314   3HB   ALA  45          2HB       ALA  45  -8.915  -2.948  -1.588
  315    H    ASP  46           HN       ASP  46 -10.118  -1.263   1.417
  316    HA   ASP  46           HA       ASP  46 -12.800  -1.674   0.420
  317   1HB   ASP  46          2HB       ASP  46 -12.022  -2.701   2.491
  318   2HB   ASP  46          1HB       ASP  46 -11.695  -1.112   3.198
  319    H    GLY  47           H        GLY  47 -10.980   1.132   1.674
  320   1HA   GLY  47          1HA       GLY  47 -11.452   3.344   1.110
  321   2HA   GLY  47          2HA       GLY  47 -13.155   2.967   0.821
  322    H    SER  48           H        SER  48 -11.706   1.581   3.701
  323    HA   SER  48           HA       SER  48 -13.417   3.203   5.447
  324   1HB   SER  48          2HB       SER  48 -11.613   1.556   6.927
  325   2HB   SER  48          1HB       SER  48 -13.340   1.306   6.646
  326    HG   SER  48           HG       SER  48 -12.863   0.111   4.833
  327    H    TYR  49           H        TYR  49 -10.026   2.813   4.522
  328    HA   TYR  49           HA       TYR  49  -9.246   5.115   6.260
  329   1HB   TYR  49          1HB       TYR  49  -8.011   3.022   6.803
  330   2HB   TYR  49          2HB       TYR  49  -7.543   2.854   5.118
  331    HD1  TYR  49           HD2      TYR  49  -7.439   6.116   7.012
  332    HD2  TYR  49           HD1      TYR  49  -5.204   2.769   5.440
  333    HE1  TYR  49           HE2      TYR  49  -5.336   7.350   7.334
  334    HE2  TYR  49           HE1      TYR  49  -3.100   3.946   5.950
  335    HH   TYR  49           HH       TYR  49  -2.123   5.928   6.861
  336    H    GLY  50           H        GLY  50  -8.505   6.966   5.077
  337   1HA   GLY  50          2HA       GLY  50  -7.317   6.990   2.590
  338   2HA   GLY  50          1HA       GLY  50  -9.029   6.976   2.244
  339    H    GLY  51           H        GLY  51  -8.339   9.176   1.337
  340   1HA   GLY  51          1HA       GLY  51  -9.326  11.366   2.644
  341   2HA   GLY  51          2HA       GLY  51  -7.589  11.345   3.053
  342    H    GLU  52           HN       GLU  52  -8.373  13.415   1.506
  343    HA   GLU  52           HA       GLU  52  -8.739  13.338  -1.151
  344   1HB   GLU  52          2HB       GLU  52  -6.725  15.224   0.168
  345   2HB   GLU  52          1HB       GLU  52  -7.546  15.432  -1.380
  346   1HG   GLU  52          2HG       GLU  52  -8.871  16.734  -0.045
  347   2HG   GLU  52          1HG       GLU  52  -9.762  15.214   0.059
  348    H    ARG  53           HN       ARG  53  -5.277  13.585  -0.032
  349    HA   ARG  53           HA       ARG  53  -4.225  12.960  -2.535
  350   1HB   ARG  53          1HB       ARG  53  -2.172  12.826  -1.416
  351   2HB   ARG  53          2HB       ARG  53  -3.084  14.114  -0.650
  352   1HG   ARG  53          2HG       ARG  53  -3.578  12.588   1.287
  353   2HG   ARG  53          1HG       ARG  53  -2.681  11.291   0.470
  354   1HD   ARG  53          2HD       ARG  53  -0.651  12.552   0.454
  355   2HD   ARG  53          1HD       ARG  53  -1.436  13.972   1.176
  356    HE   ARG  53           HE       ARG  53  -1.879  11.897   2.979
  357   1HH1  ARG  53          1HH1      ARG  53   0.961  13.483   1.511
  358   2HH1  ARG  53          2HH1      ARG  53   1.940  13.257   2.953
  359   1HH2  ARG  53          1HH2      ARG  53  -0.440  11.550   4.826
  360   2HH2  ARG  53          2HH2      ARG  53   1.193  12.184   4.729
  361    H    LYS  54           HN       LYS  54  -5.637  10.802  -0.190
  362    HA   LYS  54           HA       LYS  54  -4.021   8.482  -0.903
  363   1HB   LYS  54          2HB       LYS  54  -6.702   8.429   0.465
  364   2HB   LYS  54          1HB       LYS  54  -5.393   7.276   0.588
  365   1HG   LYS  54          1HG       LYS  54  -5.334  10.129   1.727
  366   2HG   LYS  54          2HG       LYS  54  -5.687   8.664   2.609
  367   1HD   LYS  54          1HD       LYS  54  -3.418   7.770   2.050
  368   2HD   LYS  54          2HD       LYS  54  -3.048   9.279   1.233
  369   1HE   LYS  54          1HE       LYS  54  -2.131   9.531   3.405
  370   2HE   LYS  54          2HE       LYS  54  -3.635  10.451   3.482
  371   1HZ   LYS  54          1HZ       LYS  54  -3.299   7.669   4.397
  372   2HZ   LYS  54          3HZ       LYS  54  -3.298   8.991   5.379
  373   3HZ   LYS  54          2HZ       LYS  54  -4.661   8.581   4.552
  374    H    ALA  55           H        ALA  55  -6.886  10.107  -2.111
  375    HA   ALA  55           HA       ALA  55  -8.446   8.186  -3.200
  376   1HB   ALA  55          2HB       ALA  55  -8.854  10.586  -3.464
  377   2HB   ALA  55          3HB       ALA  55  -7.536  10.705  -4.651
  378   3HB   ALA  55          1HB       ALA  55  -8.991   9.756  -5.027
  379    H    MET  56           H        MET  56  -5.456   9.291  -4.903
  380    HA   MET  56           HA       MET  56  -5.752   7.594  -7.156
  381   1HB   MET  56          2HB       MET  56  -4.187   9.485  -7.047
  382   2HB   MET  56          1HB       MET  56  -3.209   8.650  -5.829
  383   1HG   MET  56          1HG       MET  56  -2.673   6.874  -7.444
  384   2HG   MET  56          2HG       MET  56  -3.747   7.613  -8.644
  385   1HE   MET  56          2HE       MET  56  -1.719   7.311 -10.340
  386   2HE   MET  56          1HE       MET  56  -0.113   8.033 -10.085
  387   3HE   MET  56          3HE       MET  56  -0.661   6.701  -9.041
  388    H    MET  57           H        MET  57  -3.908   7.112  -4.137
  389    HA   MET  57           HA       MET  57  -2.955   4.498  -4.621
  390   1HB   MET  57          2HB       MET  57  -2.047   5.828  -2.853
  391   2HB   MET  57          1HB       MET  57  -3.621   5.996  -2.072
  392   1HG   MET  57          1HG       MET  57  -3.692   3.647  -1.484
  393   2HG   MET  57          2HG       MET  57  -2.221   3.320  -2.412
  394   1HE   MET  57          2HE       MET  57  -3.502   5.853   0.350
  395   2HE   MET  57          1HE       MET  57  -1.997   6.104   1.274
  396   3HE   MET  57          3HE       MET  57  -2.126   6.716  -0.382
  397    H    THR  58           H        THR  58  -5.986   5.664  -3.158
  398    HA   THR  58           HA       THR  58  -7.061   3.272  -2.181
  399    HB   THR  58           HB       THR  58  -8.594   5.584  -3.447
  400    HG1  THR  58           HG1      THR  58  -7.078   6.166  -1.760
  401   1HG2  THR  58          1HG2      THR  58  -9.986   3.554  -2.942
  402   2HG2  THR  58          2HG2      THR  58  -9.461   3.713  -1.250
  403   3HG2  THR  58          3HG2      THR  58 -10.405   5.000  -2.003
  404    H    ASN  59           H        ASN  59  -7.613   4.771  -5.451
  405    HA   ASN  59           HA       ASN  59  -8.992   2.427  -6.384
  406   1HB   ASN  59          2HB       ASN  59  -9.062   4.794  -7.366
  407   2HB   ASN  59          1HB       ASN  59  -7.573   4.373  -8.219
  408   1HD2  ASN  59          1HD2      ASN  59  -9.898   1.604  -9.763
  409   2HD2  ASN  59          2HD2      ASN  59  -8.682   1.347  -8.528
  410    H    ALA  60           H        ALA  60  -5.518   3.397  -6.398
  411    HA   ALA  60           HA       ALA  60  -4.645   1.457  -8.286
  412   1HB   ALA  60          3HB       ALA  60  -3.237   3.327  -7.447
  413   2HB   ALA  60          2HB       ALA  60  -3.085   2.493  -5.885
  414   3HB   ALA  60          1HB       ALA  60  -2.435   1.747  -7.350
  415    H    VAL  61           H        VAL  61  -4.847   1.249  -4.695
  416    HA   VAL  61           HA       VAL  61  -4.111  -1.544  -4.693
  417    HB   VAL  61           HB       VAL  61  -4.503  -1.528  -2.360
  418   1HG1  VAL  61          1HG2      VAL  61  -2.461  -0.415  -3.306
  419   2HG1  VAL  61          3HG2      VAL  61  -3.245   1.152  -3.088
  420   3HG1  VAL  61          2HG2      VAL  61  -2.909   0.139  -1.675
  421   1HG2  VAL  61          2HG1      VAL  61  -6.595  -0.210  -2.245
  422   2HG2  VAL  61          1HG1      VAL  61  -5.364   0.342  -1.102
  423   3HG2  VAL  61          3HG1      VAL  61  -5.687   1.266  -2.574
  424    H    LYS  62           HN       LYS  62  -7.228   0.178  -4.836
  425    HA   LYS  62           HA       LYS  62  -9.016  -1.728  -4.091
  426   1HB   LYS  62          2HB       LYS  62  -9.603   0.528  -4.938
  427   2HB   LYS  62          1HB       LYS  62  -9.174   0.013  -6.578
  428   1HG   LYS  62          2HG       LYS  62 -11.515   0.061  -6.402
  429   2HG   LYS  62          1HG       LYS  62 -11.019  -1.623  -6.563
  430   1HD   LYS  62          1HD       LYS  62 -11.283  -1.912  -4.068
  431   2HD   LYS  62          2HD       LYS  62 -11.698  -0.197  -3.934
  432   1HE   LYS  62          1HE       LYS  62 -13.725  -1.486  -3.877
  433   2HE   LYS  62          2HE       LYS  62 -13.684  -0.585  -5.402
  434   1HZ   LYS  62          2HZ       LYS  62 -12.943  -3.414  -5.059
  435   2HZ   LYS  62          1HZ       LYS  62 -14.361  -2.868  -5.696
  436   3HZ   LYS  62          3HZ       LYS  62 -12.942  -2.589  -6.484
  437    H    LYS  63           HN       LYS  63  -6.974  -1.932  -7.054
  438    HA   LYS  63           HA       LYS  63  -8.463  -3.769  -8.484
  439   1HB   LYS  63          1HB       LYS  63  -5.586  -2.868  -8.264
  440   2HB   LYS  63          2HB       LYS  63  -5.930  -4.340  -9.110
  441   1HG   LYS  63          2HG       LYS  63  -5.874  -2.558 -10.702
  442   2HG   LYS  63          1HG       LYS  63  -7.524  -3.194 -10.613
  443   1HD   LYS  63          1HD       LYS  63  -8.215  -1.259  -9.221
  444   2HD   LYS  63          2HD       LYS  63  -6.526  -0.733  -9.111
  445   1HE   LYS  63          2HE       LYS  63  -7.680   0.642 -10.755
  446   2HE   LYS  63          1HE       LYS  63  -6.463  -0.349 -11.563
  447   1HZ   LYS  63          2HZ       LYS  63  -9.338  -0.951 -11.434
  448   2HZ   LYS  63          3HZ       LYS  63  -8.542  -0.326 -12.735
  449   3HZ   LYS  63          1HZ       LYS  63  -8.200  -1.850 -12.216
  450    H    ALA  64           H        ALA  64  -6.367  -4.146  -5.634
  451    HA   ALA  64           HA       ALA  64  -5.753  -6.931  -5.869
  452   1HB   ALA  64          1HB       ALA  64  -5.866  -5.038  -3.501
  453   2HB   ALA  64          3HB       ALA  64  -5.170  -6.661  -3.435
  454   3HB   ALA  64          2HB       ALA  64  -4.435  -5.419  -4.467
  455    H    SER  65           H        SER  65  -7.070  -8.625  -5.555
  456    HA   SER  65           HA       SER  65  -9.826  -8.217  -4.664
  457   1HB   SER  65          2HB       SER  65  -8.328 -10.654  -5.670
  458   2HB   SER  65          1HB       SER  65  -9.949 -10.746  -5.019
  459    HG   SER  65           HG       SER  65  -9.179  -8.862  -7.024
  460    H    ASP  66           HN       ASP  66  -7.446 -10.572  -3.540
  461    HA   ASP  66           HA       ASP  66  -7.983  -9.947  -0.728
  462   1HB   ASP  66          1HB       ASP  66  -8.967 -12.027  -0.070
  463   2HB   ASP  66          2HB       ASP  66 -10.002 -11.263  -1.274
  464    H    GLU  67           HN       GLU  67  -6.822 -12.573  -2.843
  465    HA   GLU  67           HA       GLU  67  -4.720 -13.522  -1.176
  466   1HB   GLU  67          2HB       GLU  67  -5.620 -14.387  -3.509
  467   2HB   GLU  67          1HB       GLU  67  -4.415 -13.289  -4.215
  468   1HG   GLU  67          1HG       GLU  67  -3.906 -15.587  -2.262
  469   2HG   GLU  67          2HG       GLU  67  -3.569 -15.594  -3.996
  470    H    GLU  68           HN       GLU  68  -4.875 -11.119  -3.675
  471    HA   GLU  68           HA       GLU  68  -2.332  -9.975  -3.746
  472   1HB   GLU  68          1HB       GLU  68  -5.098  -8.822  -4.245
  473   2HB   GLU  68          2HB       GLU  68  -3.597  -8.121  -4.815
  474   1HG   GLU  68          1HG       GLU  68  -4.062  -9.344  -6.680
  475   2HG   GLU  68          2HG       GLU  68  -3.222 -10.618  -5.772
  476    H    LEU  69           H        LEU  69  -5.239  -8.968  -1.803
  477    HA   LEU  69           HA       LEU  69  -3.949  -6.756  -0.643
  478   1HB   LEU  69          1HB       LEU  69  -6.106  -8.567   0.569
  479   2HB   LEU  69          2HB       LEU  69  -5.665  -7.000   1.220
  480    HG   LEU  69           HG       LEU  69  -6.955  -7.459  -1.500
  481   1HD1  LEU  69          3HD2      LEU  69  -8.456  -7.977   0.437
  482   2HD1  LEU  69          2HD2      LEU  69  -8.095  -6.383   1.126
  483   3HD1  LEU  69          1HD2      LEU  69  -8.964  -6.507  -0.415
  484   1HD2  LEU  69          3HD1      LEU  69  -5.613  -5.320  -1.324
  485   2HD2  LEU  69          1HD1      LEU  69  -7.339  -5.056  -1.552
  486   3HD2  LEU  69          2HD1      LEU  69  -6.629  -4.841   0.049
  487    H    LYS  70           HN       LYS  70  -4.295 -10.101   0.614
  488    HA   LYS  70           HA       LYS  70  -2.862  -9.701   3.055
  489   1HB   LYS  70          2HB       LYS  70  -3.312 -12.146   1.299
  490   2HB   LYS  70          1HB       LYS  70  -2.656 -12.201   2.947
  491   1HG   LYS  70          1HG       LYS  70  -4.700 -11.464   3.915
  492   2HG   LYS  70          2HG       LYS  70  -5.348 -10.882   2.378
  493   1HD   LYS  70          1HD       LYS  70  -6.411 -12.987   3.100
  494   2HD   LYS  70          2HD       LYS  70  -5.642 -13.094   1.507
  495   1HE   LYS  70          2HE       LYS  70  -3.724 -14.274   2.427
  496   2HE   LYS  70          1HE       LYS  70  -4.305 -14.011   4.086
  497   1HZ   LYS  70          3HZ       LYS  70  -5.651 -15.612   2.019
  498   2HZ   LYS  70          2HZ       LYS  70  -4.788 -16.207   3.290
  499   3HZ   LYS  70          1HZ       LYS  70  -6.191 -15.386   3.560
  500    H    ALA  71           H        ALA  71  -1.801 -11.001  -0.099
  501    HA   ALA  71           HA       ALA  71   0.895 -11.370   0.681
  502   1HB   ALA  71          3HB       ALA  71  -0.408 -11.046  -2.045
  503   2HB   ALA  71          1HB       ALA  71   1.272 -11.586  -1.798
  504   3HB   ALA  71          2HB       ALA  71  -0.084 -12.566  -1.196
  505    H    LEU  72           H        LEU  72  -0.773  -8.392  -0.552
  506    HA   LEU  72           HA       LEU  72   1.669  -7.131  -1.298
  507   1HB   LEU  72          2HB       LEU  72  -0.667  -6.695  -2.023
  508   2HB   LEU  72          1HB       LEU  72  -1.035  -5.961  -0.470
  509    HG   LEU  72           HG       LEU  72   0.136  -4.029  -1.043
  510   1HD1  LEU  72          2HD1      LEU  72   1.701  -5.595  -3.136
  511   2HD1  LEU  72          1HD1      LEU  72   1.816  -3.851  -2.875
  512   3HD1  LEU  72          3HD1      LEU  72   2.346  -4.955  -1.608
  513   1HD2  LEU  72          3HD2      LEU  72  -0.829  -5.298  -3.654
  514   2HD2  LEU  72          1HD2      LEU  72  -1.813  -4.375  -2.528
  515   3HD2  LEU  72          2HD2      LEU  72  -0.542  -3.584  -3.459
  516    H    ALA  73           H        ALA  73  -0.373  -7.205   1.644
  517    HA   ALA  73           HA       ALA  73   1.242  -5.495   3.236
  518   1HB   ALA  73          1HB       ALA  73  -1.030  -6.255   3.779
  519   2HB   ALA  73          3HB       ALA  73  -0.432  -7.888   4.124
  520   3HB   ALA  73          2HB       ALA  73   0.117  -6.525   5.119
  521    H    ASP  74           HN       ASP  74   1.257  -9.116   2.991
  522    HA   ASP  74           HA       ASP  74   3.423  -9.608   4.680
  523   1HB   ASP  74          2HB       ASP  74   2.047 -11.393   3.745
  524   2HB   ASP  74          1HB       ASP  74   2.626 -11.025   2.110
  525    H    TYR  75           H        TYR  75   3.560  -8.994   1.139
  526    HA   TYR  75           HA       TYR  75   6.350  -9.142   0.808
  527   1HB   TYR  75          2HB       TYR  75   4.629  -9.146  -0.971
  528   2HB   TYR  75          1HB       TYR  75   4.292  -7.449  -0.676
  529    HD1  TYR  75           HD1      TYR  75   5.942  -5.702  -1.359
  530    HD2  TYR  75           HD2      TYR  75   6.563  -9.882  -2.222
  531    HE1  TYR  75           HE1      TYR  75   7.532  -5.104  -3.158
  532    HE2  TYR  75           HE2      TYR  75   8.079  -9.266  -4.087
  533    HH   TYR  75           HH       TYR  75   8.817  -5.868  -4.897
  534    H    MET  76           H        MET  76   4.299  -6.201   1.276
  535    HA   MET  76           HA       MET  76   6.438  -4.354   1.464
  536   1HB   MET  76          1HB       MET  76   3.594  -4.327   2.502
  537   2HB   MET  76          2HB       MET  76   4.704  -2.957   2.698
  538   1HG   MET  76          1HG       MET  76   5.059  -2.890   0.250
  539   2HG   MET  76          2HG       MET  76   3.867  -4.169   0.040
  540   1HE   MET  76          2HE       MET  76   1.328  -3.857   0.913
  541   2HE   MET  76          1HE       MET  76   1.713  -3.002   2.419
  542   3HE   MET  76          3HE       MET  76   0.589  -2.281   1.255
  543    H    SER  77           H        SER  77   5.070  -6.529   3.925
  544    HA   SER  77           HA       SER  77   6.326  -5.237   6.150
  545   1HB   SER  77          2HB       SER  77   4.417  -6.870   6.229
  546   2HB   SER  77          1HB       SER  77   5.584  -8.170   5.939
  547    HG   SER  77           HG       SER  77   6.752  -7.250   7.797
  548    H    LYS  78           HN       LYS  78   7.955  -6.752   3.542
  549    HA   LYS  78           HA       LYS  78  10.311  -7.299   5.279
  550   1HB   LYS  78          2HB       LYS  78   9.233  -9.041   3.018
  551   2HB   LYS  78          1HB       LYS  78  10.757  -9.283   3.891
  552   1HG   LYS  78          1HG       LYS  78   9.415  -9.525   6.023
  553   2HG   LYS  78          2HG       LYS  78   7.940  -9.498   5.054
  554   1HD   LYS  78          1HD       LYS  78  10.204 -11.541   4.872
  555   2HD   LYS  78          2HD       LYS  78   8.607 -11.805   5.583
  556   1HE   LYS  78          2HE       LYS  78   9.214 -11.289   2.631
  557   2HE   LYS  78          1HE       LYS  78   8.700 -12.809   3.365
  558   1HZ   LYS  78          3HZ       LYS  78   6.637 -11.770   3.969
  559   2HZ   LYS  78          1HZ       LYS  78   7.089 -10.348   3.276
  560   3HZ   LYS  78          2HZ       LYS  78   6.878 -11.691   2.345
  561    H    LEU  79           H        LEU  79   9.682  -4.814   4.024
  562    HA   LEU  79           HA       LEU  79  11.609  -4.632   1.898
  563   1HB   LEU  79          2HB       LEU  79   9.349  -5.406   0.945
  564   2HB   LEU  79          1HB       LEU  79   8.608  -4.062   1.832
  565    HG   LEU  79           HG       LEU  79   9.999  -2.500   0.551
  566   1HD1  LEU  79          2HD1      LEU  79  10.588  -5.060  -1.040
  567   2HD1  LEU  79          1HD1      LEU  79  10.924  -3.434  -1.667
  568   3HD1  LEU  79          3HD1      LEU  79  11.788  -4.023  -0.239
  569   1HD2  LEU  79          1HD2      LEU  79   8.045  -4.337  -0.878
  570   2HD2  LEU  79          3HD2      LEU  79   7.683  -2.817  -0.032
  571   3HD2  LEU  79          2HD2      LEU  79   8.600  -2.790  -1.553
  572    HHA  HEC   1           HHA      HEM   1   1.442   5.095   3.905
  573    HHB  HEC   1           HHB      HEM   1  -0.496  -0.144   0.936
  574    HHC  HEC   1           HHC      HEM   1   0.959   2.749  -4.581
  575    HHD  HEC   1           HHD      HEM   1   0.682   8.390  -1.476
  576   1HMA  HEC   1          1HMA      HEM   1  -1.167  -0.096   3.367
  577   2HMA  HEC   1          2HMA      HEM   1  -0.038   0.157   4.697
  578   3HMA  HEC   1          3HMA      HEM   1   0.504  -0.708   3.239
  579   1HAA  HEC   1          1HAA      HEM   1   1.816   1.650   5.278
  580   2HAA  HEC   1          2HAA      HEM   1   2.058   3.365   5.103
  581   1HBA  HEC   1          1HBA      HEM   1  -0.785   2.779   5.476
  582   2HBA  HEC   1          2HBA      HEM   1   0.151   1.933   6.718
  583   1HMB  HEC   1          1HMB      HEM   1   0.682  -1.891  -1.599
  584   2HMB  HEC   1          2HMB      HEM   1  -0.942  -1.761  -2.324
  585   3HMB  HEC   1          3HMB      HEM   1  -0.758  -1.584  -0.602
  586    HAB  HEC   1           HAB      HEM   1   0.498   0.772  -5.085
  587   1HBB  HEC   1          1HBB      HEM   1   0.931  -1.989  -3.951
  588   2HBB  HEC   1          2HBB      HEM   1  -0.676  -1.442  -4.545
  589   3HBB  HEC   1          3HBB      HEM   1   0.694  -1.526  -5.641
  590   1HMC  HEC   1          1HMC      HEM   1   1.310   5.258  -6.343
  591   2HMC  HEC   1          2HMC      HEM   1  -0.323   5.972  -6.258
  592   3HMC  HEC   1          3HMC      HEM   1  -0.104   4.263  -5.971
  593    HAC  HEC   1           HAC      HEM   1   0.665   8.822  -3.627
  594   1HBC  HEC   1          1HBC      HEM   1   0.885   9.393  -5.925
  595   2HBC  HEC   1          2HBC      HEM   1   1.099   7.720  -6.410
  596   3HBC  HEC   1          3HBC      HEM   1  -0.467   8.260  -5.732
  597   1HMD  HEC   1          1HMD      HEM   1   1.126   9.935   0.619
  598   2HMD  HEC   1          2HMD      HEM   1  -0.583   9.579   0.285
  599   3HMD  HEC   1          3HMD      HEM   1  -0.060   9.935   1.933
  600   1HAD  HEC   1          1HAD      HEM   1   0.395   8.866   3.813
  601   2HAD  HEC   1          2HAD      HEM   1  -0.896   7.705   3.898
  602   1HBD  HEC   1          1HBD      HEM   1   0.264   6.243   5.275
  603   2HBD  HEC   1          2HBD      HEM   1   1.860   6.930   4.952
   
  No H/Q in entry =         603
  Start of MODEL    2
    1   1H    ALA   1          3H        ALA   1   3.049 -14.567  -0.579
    2   2H    ALA   1          2H        ALA   1   4.523 -15.268  -0.234
    3   3H    ALA   1          1H        ALA   1   4.335 -13.621  -0.324
    4    HA   ALA   1           HA       ALA   1   5.352 -14.311  -2.339
    5   1HB   ALA   1          3HB       ALA   1   4.587 -16.673  -2.271
    6   2HB   ALA   1          1HB       ALA   1   2.926 -16.145  -2.624
    7   3HB   ALA   1          2HB       ALA   1   4.210 -15.918  -3.828
    8    H    ASP   2           HN       ASP   2   4.320 -13.719  -4.644
    9    HA   ASP   2           HA       ASP   2   3.272 -12.111  -5.874
   10   1HB   ASP   2          1HB       ASP   2   1.316 -13.577  -5.228
   11   2HB   ASP   2          2HB       ASP   2   0.902 -12.393  -3.995
   12    H    GLY   3           H        GLY   3   1.443 -10.008  -4.740
   13   1HA   GLY   3          1HA       GLY   3   1.555  -8.039  -3.513
   14   2HA   GLY   3          2HA       GLY   3   3.066  -8.568  -2.773
   15    H    ALA   4           H        ALA   4   4.832  -8.937  -4.523
   16    HA   ALA   4           HA       ALA   4   5.829  -6.482  -5.346
   17   1HB   ALA   4          3HB       ALA   4   7.184  -8.516  -5.140
   18   2HB   ALA   4          2HB       ALA   4   6.413  -9.200  -6.588
   19   3HB   ALA   4          1HB       ALA   4   7.428  -7.747  -6.720
   20    H    ALA   5           H        ALA   5   4.059  -8.828  -7.388
   21    HA   ALA   5           HA       ALA   5   4.214  -7.529  -9.851
   22   1HB   ALA   5          1HB       ALA   5   1.892  -9.145  -8.695
   23   2HB   ALA   5          2HB       ALA   5   2.133  -8.764 -10.414
   24   3HB   ALA   5          3HB       ALA   5   3.302  -9.792  -9.562
   25    H    LEU   6           H        LEU   6   1.686  -6.965  -7.244
   26    HA   LEU   6           HA       LEU   6   0.319  -4.941  -8.693
   27   1HB   LEU   6          2HB       LEU   6   0.476  -6.052  -5.847
   28   2HB   LEU   6          1HB       LEU   6  -0.398  -4.608  -6.270
   29    HG   LEU   6           HG       LEU   6  -1.670  -5.911  -7.996
   30   1HD1  LEU   6          3HD2      LEU   6  -0.354  -8.309  -6.663
   31   2HD1  LEU   6          2HD2      LEU   6  -1.795  -8.381  -7.697
   32   3HD1  LEU   6          1HD2      LEU   6  -0.263  -7.858  -8.385
   33   1HD2  LEU   6          2HD1      LEU   6  -2.521  -5.398  -5.691
   34   2HD2  LEU   6          3HD1      LEU   6  -3.177  -6.910  -6.341
   35   3HD2  LEU   6          1HD1      LEU   6  -1.862  -6.953  -5.139
   36    H    TYR   7           H        TYR   7   2.852  -5.106  -6.199
   37    HA   TYR   7           HA       TYR   7   3.055  -2.488  -5.430
   38   1HB   TYR   7          2HB       TYR   7   4.311  -4.588  -4.641
   39   2HB   TYR   7          1HB       TYR   7   5.521  -4.174  -5.837
   40    HD1  TYR   7           HD2      TYR   7   3.577  -2.514  -3.055
   41    HD2  TYR   7           HD1      TYR   7   7.323  -2.818  -5.169
   42    HE1  TYR   7           HE2      TYR   7   4.498  -0.665  -1.691
   43    HE2  TYR   7           HE1      TYR   7   8.257  -1.036  -3.738
   44    HH   TYR   7           HH       TYR   7   7.746   0.685  -2.322
   45    H    LYS   8           HN       LYS   8   4.300  -3.917  -8.345
   46    HA   LYS   8           HA       LYS   8   5.899  -1.974  -9.485
   47   1HB   LYS   8          2HB       LYS   8   3.626  -3.388 -10.927
   48   2HB   LYS   8          1HB       LYS   8   4.995  -2.552 -11.673
   49   1HG   LYS   8          1HG       LYS   8   6.563  -4.163 -10.529
   50   2HG   LYS   8          2HG       LYS   8   5.170  -5.007  -9.884
   51   1HD   LYS   8          1HD       LYS   8   5.981  -6.185 -11.832
   52   2HD   LYS   8          2HD       LYS   8   4.342  -5.578 -12.085
   53   1HE   LYS   8          1HE       LYS   8   5.808  -5.329 -14.085
   54   2HE   LYS   8          2HE       LYS   8   5.154  -3.788 -13.534
   55   1HZ   LYS   8          3HZ       LYS   8   7.848  -4.809 -12.943
   56   2HZ   LYS   8          2HZ       LYS   8   7.478  -3.655 -14.060
   57   3HZ   LYS   8          1HZ       LYS   8   7.242  -3.353 -12.459
   58    H    SER   9           H        SER   9   2.454  -1.618  -8.810
   59    HA   SER   9           HA       SER   9   2.093   0.800 -10.403
   60   1HB   SER   9          1HB       SER   9   0.254  -0.226  -8.224
   61   2HB   SER   9          2HB       SER   9  -0.150   0.656  -9.707
   62    HG   SER   9           HG       SER   9   0.649  -2.047  -9.366
   63    H    CYS  10           H        CYS  10   3.091   0.000  -7.158
   64    HA   CYS  10           HA       CYS  10   2.375   2.598  -5.971
   65   1HB   CYS  10          2HB       CYS  10   3.847   0.362  -4.614
   66   2HB   CYS  10          1HB       CYS  10   2.820   1.572  -3.886
   67    H    ILE  11           H        ILE  11   5.210   0.680  -6.973
   68    HA   ILE  11           HA       ILE  11   7.205   2.341  -5.841
   69    HB   ILE  11           HB       ILE  11   8.706   1.648  -7.644
   70   1HG1  ILE  11          1HG1      ILE  11   6.305   0.225  -8.811
   71   2HG1  ILE  11          2HG1      ILE  11   7.087   1.633  -9.543
   72   1HG2  ILE  11          1HG2      ILE  11   8.177   0.251  -5.645
   73   2HG2  ILE  11          3HG2      ILE  11   7.047  -0.691  -6.636
   74   3HG2  ILE  11          2HG2      ILE  11   8.781  -0.684  -7.021
   75   1HD1  ILE  11          1HD1      ILE  11   9.208   0.316  -9.736
   76   2HD1  ILE  11          3HD1      ILE  11   8.318  -1.127  -9.192
   77   3HD1  ILE  11          2HD1      ILE  11   7.857  -0.320 -10.696
   78    H    GLY  12           H        GLY  12   8.230   4.208  -6.541
   79   1HA   GLY  12          2HA       GLY  12   8.398   6.079  -8.076
   80   2HA   GLY  12          1HA       GLY  12   6.710   5.848  -8.559
   81    H    CYS  13           H        CYS  13   5.471   5.324  -5.889
   82    HA   CYS  13           HA       CYS  13   5.755   8.115  -4.898
   83   1HB   CYS  13          1HB       CYS  13   3.510   6.985  -5.410
   84   2HB   CYS  13          2HB       CYS  13   3.738   6.158  -3.839
   85    H    HIS  14           HN       HIS  14   5.703   4.749  -3.713
   86    HA   HIS  14           HA       HIS  14   7.103   5.509  -1.225
   87   1HB   HIS  14          2HB       HIS  14   5.970   2.885  -2.258
   88   2HB   HIS  14          1HB       HIS  14   6.616   3.177  -0.637
   89    HD1  HIS  14           HD1      HIS  14   5.360   5.120   0.811
   90    HD2  HIS  14           HD2      HIS  14   3.345   3.777  -2.583
   91    HE1  HIS  14           HE1      HIS  14   2.936   5.219   1.375
   92    H    GLY  15           H        GLY  15   8.005   4.363  -4.311
   93   1HA   GLY  15          2HA       GLY  15  10.040   3.700  -5.170
   94   2HA   GLY  15          1HA       GLY  15  10.773   3.896  -3.572
   95    H    ALA  16           H        ALA  16  11.514   1.810  -5.229
   96    HA   ALA  16           HA       ALA  16  10.215  -0.643  -5.102
   97   1HB   ALA  16          1HB       ALA  16  12.204  -0.193  -6.458
   98   2HB   ALA  16          3HB       ALA  16  13.204  -0.100  -4.991
   99   3HB   ALA  16          2HB       ALA  16  12.429  -1.632  -5.445
  100    H    ASP  17           HN       ASP  17  12.388   0.792  -2.691
  101    HA   ASP  17           HA       ASP  17  12.204  -1.515  -0.909
  102   1HB   ASP  17          2HB       ASP  17  13.815  -0.415   0.417
  103   2HB   ASP  17          1HB       ASP  17  14.286  -0.179  -1.272
  104    H    GLY  18           H        GLY  18  10.110   1.004  -1.542
  105   1HA   GLY  18          2HA       GLY  18   8.292   1.809  -0.450
  106   2HA   GLY  18          1HA       GLY  18   8.503   0.507   0.721
  107    H    SER  19           H        SER  19  11.256   2.612   0.447
  108    HA   SER  19           HA       SER  19  10.671   3.527   3.196
  109   1HB   SER  19          2HB       SER  19  12.792   2.305   2.600
  110   2HB   SER  19          1HB       SER  19  13.297   3.782   1.743
  111    HG   SER  19           HG       SER  19  12.742   4.864   3.816
  112    H    LYS  20           HN       LYS  20  10.631   5.017  -0.004
  113    HA   LYS  20           HA       LYS  20  11.644   7.575   1.031
  114   1HB   LYS  20          1HB       LYS  20  11.259   8.465  -1.157
  115   2HB   LYS  20          2HB       LYS  20  12.171   6.953  -1.246
  116   1HG   LYS  20          1HG       LYS  20  10.476   5.812  -2.257
  117   2HG   LYS  20          2HG       LYS  20   9.172   6.853  -1.614
  118   1HD   LYS  20          2HD       LYS  20   9.396   7.211  -3.993
  119   2HD   LYS  20          1HD       LYS  20   9.856   8.666  -3.109
  120   1HE   LYS  20          1HE       LYS  20  12.264   8.110  -3.444
  121   2HE   LYS  20          2HE       LYS  20  11.805   6.603  -4.262
  122   1HZ   LYS  20          1HZ       LYS  20  10.715   7.932  -5.930
  123   2HZ   LYS  20          2HZ       LYS  20  11.164   9.321  -5.169
  124   3HZ   LYS  20          3HZ       LYS  20  12.311   8.328  -5.813
  125    H    ALA  21           H        ALA  21   9.532   6.925   2.700
  126    HA   ALA  21           HA       ALA  21   7.371   7.720   3.433
  127   1HB   ALA  21          1HB       ALA  21   8.427  10.187   2.045
  128   2HB   ALA  21          3HB       ALA  21   7.083  10.085   3.201
  129   3HB   ALA  21          2HB       ALA  21   8.720   9.675   3.712
  130    H    ALA  22           H        ALA  22   6.725   9.806   1.106
  131    HA   ALA  22           HA       ALA  22   5.767   8.296  -1.063
  132   1HB   ALA  22          2HB       ALA  22   3.920   7.698   0.421
  133   2HB   ALA  22          1HB       ALA  22   3.593   9.435   0.709
  134   3HB   ALA  22          3HB       ALA  22   3.381   8.724  -0.900
  135    H    MET  23           H        MET  23   3.882  10.475  -1.913
  136    HA   MET  23           HA       MET  23   5.942  12.538  -2.414
  137   1HB   MET  23          1HB       MET  23   3.163  12.018  -3.493
  138   2HB   MET  23          2HB       MET  23   4.095  13.488  -3.870
  139   1HG   MET  23          2HG       MET  23   5.921  12.116  -4.762
  140   2HG   MET  23          1HG       MET  23   5.059  10.641  -4.311
  141   1HE   MET  23          1HE       MET  23   6.269  10.914  -7.091
  142   2HE   MET  23          3HE       MET  23   5.185   9.550  -6.716
  143   3HE   MET  23          2HE       MET  23   4.940  10.497  -8.199
  144    H    GLY  24           H        GLY  24   5.917  12.678   0.036
  145   1HA   GLY  24          2HA       GLY  24   5.416  15.122   1.026
  146   2HA   GLY  24          1HA       GLY  24   3.852  14.306   1.295
  147    H    SER  25           H        SER  25   5.342  15.038   3.532
  148    HA   SER  25           HA       SER  25   7.074  13.006   4.501
  149   1HB   SER  25          1HB       SER  25   5.425  14.996   6.108
  150   2HB   SER  25          2HB       SER  25   6.963  14.225   6.545
  151    HG   SER  25           HG       SER  25   7.275  16.354   5.704
  152    H    ALA  26           H        ALA  26   5.510  11.229   3.735
  153    HA   ALA  26           HA       ALA  26   3.303  10.601   5.628
  154   1HB   ALA  26          3HB       ALA  26   4.225   9.351   3.004
  155   2HB   ALA  26          2HB       ALA  26   2.802   8.855   3.928
  156   3HB   ALA  26          1HB       ALA  26   2.857  10.473   3.202
  157    H    LYS  27           HN       LYS  27   3.258   8.412   6.664
  158    HA   LYS  27           HA       LYS  27   5.660   7.486   7.784
  159   1HB   LYS  27          2HB       LYS  27   2.782   6.579   7.396
  160   2HB   LYS  27          1HB       LYS  27   3.974   5.534   8.091
  161   1HG   LYS  27          1HG       LYS  27   4.495   7.140   9.855
  162   2HG   LYS  27          2HG       LYS  27   3.294   8.281   9.212
  163   1HD   LYS  27          2HD       LYS  27   2.651   5.439  10.151
  164   2HD   LYS  27          1HD       LYS  27   2.550   6.863  11.202
  165   1HE   LYS  27          1HE       LYS  27   0.845   7.878   9.730
  166   2HE   LYS  27          2HE       LYS  27   0.957   6.502   8.626
  167   1HZ   LYS  27          3HZ       LYS  27   0.080   6.333  11.406
  168   2HZ   LYS  27          2HZ       LYS  27  -0.877   6.280  10.061
  169   3HZ   LYS  27          1HZ       LYS  27   0.208   5.076  10.339
  170    HA   PRO  28           HA       PRO  28   6.701   5.438   3.842
  171   1HB   PRO  28          1HB       PRO  28   8.794   4.091   5.555
  172   2HB   PRO  28          2HB       PRO  28   8.982   4.857   3.957
  173   1HG   PRO  28          1HG       PRO  28   9.842   6.100   6.248
  174   2HG   PRO  28          2HG       PRO  28   9.043   7.042   4.962
  175   1HD   PRO  28          2HD       PRO  28   7.817   5.965   7.511
  176   2HD   PRO  28          1HD       PRO  28   7.642   7.576   6.756
  177    H    VAL  29           H        VAL  29   6.238   3.331   3.063
  178    HA   VAL  29           HA       VAL  29   4.676   1.683   4.910
  179    HB   VAL  29           HB       VAL  29   4.909   0.028   2.947
  180   1HG1  VAL  29          1HG2      VAL  29   2.824   1.109   3.655
  181   2HG1  VAL  29          2HG2      VAL  29   3.261   2.587   2.761
  182   3HG1  VAL  29          3HG2      VAL  29   2.891   1.085   1.883
  183   1HG2  VAL  29          3HG1      VAL  29   6.522   1.204   1.536
  184   2HG2  VAL  29          1HG1      VAL  29   4.972   1.075   0.703
  185   3HG2  VAL  29          2HG1      VAL  29   5.445   2.612   1.433
  186    H    LYS  30           HN       LYS  30   7.782   1.450   3.192
  187    HA   LYS  30           HA       LYS  30   9.391  -0.206   3.188
  188   1HB   LYS  30          1HB       LYS  30  10.025   1.557   4.688
  189   2HB   LYS  30          2HB       LYS  30   9.023   0.880   5.963
  190   1HG   LYS  30          2HG       LYS  30  11.554   0.609   6.210
  191   2HG   LYS  30          1HG       LYS  30  10.696  -0.929   6.313
  192   1HD   LYS  30          1HD       LYS  30  11.305  -1.530   4.046
  193   2HD   LYS  30          2HD       LYS  30  11.910   0.102   3.713
  194   1HE   LYS  30          1HE       LYS  30  13.724  -1.536   4.106
  195   2HE   LYS  30          2HE       LYS  30  13.759  -0.214   5.289
  196   1HZ   LYS  30          2HZ       LYS  30  12.630  -2.900   5.717
  197   2HZ   LYS  30          1HZ       LYS  30  14.083  -2.375   6.268
  198   3HZ   LYS  30          3HZ       LYS  30  12.694  -1.697   6.847
  199    H    GLY  31           H        GLY  31   8.575  -1.051   6.468
  200   1HA   GLY  31          1HA       GLY  31   6.966  -3.384   5.810
  201   2HA   GLY  31          2HA       GLY  31   8.555  -3.722   6.523
  202    H    GLN  32           H        GLN  32   6.051  -1.217   7.007
  203    HA   GLN  32           HA       GLN  32   6.323  -0.615   9.645
  204   1HB   GLN  32          1HB       GLN  32   3.474  -1.113   8.707
  205   2HB   GLN  32          2HB       GLN  32   4.090   0.105   9.820
  206   1HG   GLN  32          2HG       GLN  32   5.379   1.019   7.808
  207   2HG   GLN  32          1HG       GLN  32   4.346  -0.033   6.826
  208   1HE2  GLN  32          1HE2      GLN  32   2.809   3.473   7.046
  209   2HE2  GLN  32          2HE2      GLN  32   4.515   3.033   6.943
  210    H    GLY  33           H        GLY  33   4.301  -3.063   8.547
  211   1HA   GLY  33          2HA       GLY  33   5.216  -5.356   9.877
  212   2HA   GLY  33          1HA       GLY  33   4.018  -4.650  10.986
  213    H    ALA  34           H        ALA  34   4.177  -7.037   8.739
  214    HA   ALA  34           HA       ALA  34   2.353  -6.741   6.822
  215   1HB   ALA  34          3HB       ALA  34   3.495  -8.889   7.246
  216   2HB   ALA  34          2HB       ALA  34   2.390  -9.204   8.600
  217   3HB   ALA  34          1HB       ALA  34   1.770  -9.091   6.940
  218    H    GLU  35           HN       GLU  35   1.269  -7.315  10.260
  219    HA   GLU  35           HA       GLU  35  -1.470  -7.498   9.637
  220   1HB   GLU  35          1HB       GLU  35  -0.059  -6.495  12.170
  221   2HB   GLU  35          2HB       GLU  35  -1.678  -7.153  12.003
  222   1HG   GLU  35          1HG       GLU  35   0.931  -8.686  11.709
  223   2HG   GLU  35          2HG       GLU  35  -0.304  -8.871  12.949
  224    H    GLU  36           HN       GLU  36   0.649  -4.799  10.539
  225    HA   GLU  36           HA       GLU  36  -1.200  -2.702  10.803
  226   1HB   GLU  36          2HB       GLU  36   1.611  -3.165  10.949
  227   2HB   GLU  36          1HB       GLU  36   1.464  -2.032   9.625
  228   1HG   GLU  36          2HG       GLU  36   0.410  -1.658  12.439
  229   2HG   GLU  36          1HG       GLU  36   1.943  -1.076  11.748
  230    H    LEU  37           H        LEU  37   0.929  -3.635   8.164
  231    HA   LEU  37           HA       LEU  37   0.062  -1.826   6.169
  232   1HB   LEU  37          1HB       LEU  37   1.440  -4.529   6.108
  233   2HB   LEU  37          2HB       LEU  37   1.126  -3.608   4.634
  234    HG   LEU  37           HG       LEU  37   2.594  -2.321   6.963
  235   1HD1  LEU  37          3HD2      LEU  37   3.727  -4.143   4.828
  236   2HD1  LEU  37          2HD2      LEU  37   4.710  -2.999   5.767
  237   3HD1  LEU  37          1HD2      LEU  37   3.854  -4.318   6.581
  238   1HD2  LEU  37          2HD1      LEU  37   2.470  -1.852   3.950
  239   2HD2  LEU  37          3HD1      LEU  37   1.916  -0.767   5.241
  240   3HD2  LEU  37          1HD1      LEU  37   3.642  -1.064   5.000
  241    H    TYR  38           HN       TYR  38  -0.929  -5.236   6.805
  242    HA   TYR  38           HA       TYR  38  -2.678  -5.422   4.614
  243   1HB   TYR  38          2HB       TYR  38  -1.998  -7.408   5.805
  244   2HB   TYR  38          1HB       TYR  38  -2.736  -6.814   7.293
  245    HD1  TYR  38           HE2      TYR  38  -4.095  -6.969   3.747
  246    HD2  TYR  38           HD1      TYR  38  -4.444  -8.324   7.834
  247    HE1  TYR  38           HE1      TYR  38  -6.256  -8.040   3.215
  248    HE2  TYR  38           HD2      TYR  38  -6.570  -9.444   7.275
  249    HH   TYR  38           HH       TYR  38  -8.075  -9.961   5.615
  250    H    LYS  39           HN       LYS  39  -3.369  -4.499   8.012
  251    HA   LYS  39           HA       LYS  39  -6.119  -4.043   7.575
  252   1HB   LYS  39          2HB       LYS  39  -4.696  -4.180   9.754
  253   2HB   LYS  39          1HB       LYS  39  -4.324  -2.483   9.521
  254   1HG   LYS  39          2HG       LYS  39  -6.738  -1.919   9.625
  255   2HG   LYS  39          1HG       LYS  39  -7.134  -3.647   9.788
  256   1HD   LYS  39          1HD       LYS  39  -5.829  -3.777  11.878
  257   2HD   LYS  39          2HD       LYS  39  -5.314  -2.096  11.685
  258   1HE   LYS  39          1HE       LYS  39  -7.121  -2.221  13.337
  259   2HE   LYS  39          2HE       LYS  39  -7.666  -1.323  11.911
  260   1HZ   LYS  39          2HZ       LYS  39  -8.247  -4.149  12.480
  261   2HZ   LYS  39          3HZ       LYS  39  -9.292  -2.890  12.677
  262   3HZ   LYS  39          1HZ       LYS  39  -8.778  -3.302  11.169
  263    H    LYS  40           HN       LYS  40  -3.398  -1.676   7.514
  264    HA   LYS  40           HA       LYS  40  -4.937   0.606   6.871
  265   1HB   LYS  40          1HB       LYS  40  -2.061  -0.312   6.372
  266   2HB   LYS  40          2HB       LYS  40  -2.649   1.283   5.986
  267   1HG   LYS  40          1HG       LYS  40  -2.816   0.119   8.798
  268   2HG   LYS  40          2HG       LYS  40  -1.418   1.024   8.204
  269   1HD   LYS  40          1HD       LYS  40  -2.920   2.951   7.686
  270   2HD   LYS  40          2HD       LYS  40  -4.269   2.104   8.457
  271   1HE   LYS  40          2HE       LYS  40  -1.634   2.921   9.779
  272   2HE   LYS  40          1HE       LYS  40  -3.191   3.747   9.959
  273   1HZ   LYS  40          1HZ       LYS  40  -4.057   1.693  10.903
  274   2HZ   LYS  40          2HZ       LYS  40  -2.551   1.016  10.815
  275   3HZ   LYS  40          3HZ       LYS  40  -2.811   2.319  11.786
  276    H    MET  41           H        MET  41  -3.172  -1.673   4.666
  277    HA   MET  41           HA       MET  41  -3.957  -0.251   2.334
  278   1HB   MET  41          1HB       MET  41  -2.906  -1.802   1.101
  279   2HB   MET  41          2HB       MET  41  -1.976  -1.820   2.589
  280   1HG   MET  41          1HG       MET  41  -2.072  -4.111   2.063
  281   2HG   MET  41          2HG       MET  41  -3.444  -3.910   3.169
  282   1HE   MET  41          2HE       MET  41  -2.161  -3.591  -0.282
  283   2HE   MET  41          1HE       MET  41  -3.316  -4.397  -1.360
  284   3HE   MET  41          3HE       MET  41  -3.616  -2.741  -0.819
  285    H    LYS  42           HN       LYS  42  -5.427  -3.006   4.060
  286    HA   LYS  42           HA       LYS  42  -7.594  -3.444   2.280
  287   1HB   LYS  42          1HB       LYS  42  -6.918  -4.855   4.319
  288   2HB   LYS  42          2HB       LYS  42  -7.718  -3.653   5.326
  289   1HG   LYS  42          1HG       LYS  42  -9.860  -4.076   4.179
  290   2HG   LYS  42          2HG       LYS  42  -9.051  -5.174   3.042
  291   1HD   LYS  42          1HD       LYS  42  -8.388  -6.642   4.934
  292   2HD   LYS  42          2HD       LYS  42  -9.255  -5.578   6.061
  293   1HE   LYS  42          1HE       LYS  42 -11.384  -6.055   4.891
  294   2HE   LYS  42          2HE       LYS  42 -10.523  -7.040   3.690
  295   1HZ   LYS  42          2HZ       LYS  42  -9.878  -8.519   5.427
  296   2HZ   LYS  42          1HZ       LYS  42 -10.679  -7.623   6.559
  297   3HZ   LYS  42          3HZ       LYS  42 -11.521  -8.385   5.365
  298    H    GLY  43           H        GLY  43  -7.133  -1.263   5.043
  299   1HA   GLY  43          2HA       GLY  43  -9.529   0.099   5.287
  300   2HA   GLY  43          1HA       GLY  43  -7.922   0.806   5.534
  301    H    TYR  44           H        TYR  44  -6.730   0.943   3.211
  302    HA   TYR  44           HA       TYR  44  -8.045   3.069   1.832
  303   1HB   TYR  44          1HB       TYR  44  -5.647   1.374   1.081
  304   2HB   TYR  44          2HB       TYR  44  -6.232   2.708   0.092
  305    HD1  TYR  44           HD1      TYR  44  -6.816   4.916   1.779
  306    HD2  TYR  44           HD2      TYR  44  -3.577   2.076   1.984
  307    HE1  TYR  44           HE1      TYR  44  -5.389   6.616   2.885
  308    HE2  TYR  44           HE2      TYR  44  -2.125   3.827   2.940
  309    HH   TYR  44           HH       TYR  44  -1.943   5.992   3.578
  310    H    ALA  45           H        ALA  45  -7.623  -0.364   0.856
  311    HA   ALA  45           HA       ALA  45  -8.913  -0.154  -1.652
  312   1HB   ALA  45          3HB       ALA  45  -8.832  -2.504   0.291
  313   2HB   ALA  45          2HB       ALA  45  -9.257  -2.599  -1.425
  314   3HB   ALA  45          1HB       ALA  45  -7.618  -2.118  -0.945
  315    H    ASP  46           HN       ASP  46 -10.376  -1.051   1.481
  316    HA   ASP  46           HA       ASP  46 -13.058  -1.220   0.456
  317   1HB   ASP  46          2HB       ASP  46 -12.392  -2.389   2.478
  318   2HB   ASP  46          1HB       ASP  46 -11.931  -0.872   3.260
  319    H    GLY  47           H        GLY  47 -11.134   1.394   1.957
  320   1HA   GLY  47          1HA       GLY  47 -11.495   3.669   1.380
  321   2HA   GLY  47          2HA       GLY  47 -13.235   3.393   1.225
  322    H    SER  48           H        SER  48 -12.053   1.644   3.936
  323    HA   SER  48           HA       SER  48 -13.389   3.306   5.842
  324   1HB   SER  48          1HB       SER  48 -11.494   1.542   7.088
  325   2HB   SER  48          2HB       SER  48 -13.248   1.359   6.949
  326    HG   SER  48           HG       SER  48 -12.999   0.228   5.074
  327    H    TYR  49           H        TYR  49 -10.098   2.965   4.622
  328    HA   TYR  49           HA       TYR  49  -9.190   5.209   6.361
  329   1HB   TYR  49          2HB       TYR  49  -7.865   2.983   6.594
  330   2HB   TYR  49          1HB       TYR  49  -7.502   3.157   4.883
  331    HD1  TYR  49           HD2      TYR  49  -7.464   6.037   7.324
  332    HD2  TYR  49           HD1      TYR  49  -5.143   3.135   5.116
  333    HE1  TYR  49           HE2      TYR  49  -5.410   7.264   7.858
  334    HE2  TYR  49           HE1      TYR  49  -3.084   4.336   5.737
  335    HH   TYR  49           HH       TYR  49  -2.166   6.004   7.169
  336    H    GLY  50           H        GLY  50  -8.386   7.070   5.107
  337   1HA   GLY  50          1HA       GLY  50  -7.658   7.040   2.438
  338   2HA   GLY  50          2HA       GLY  50  -9.415   7.153   2.415
  339    H    GLY  51           H        GLY  51  -9.024   9.234   1.391
  340   1HA   GLY  51          2HA       GLY  51  -9.480  11.521   2.793
  341   2HA   GLY  51          1HA       GLY  51  -7.700  11.414   2.695
  342    H    GLU  52           HN       GLU  52  -8.209  13.414   1.223
  343    HA   GLU  52           HA       GLU  52  -9.493  13.110  -1.264
  344   1HB   GLU  52          1HB       GLU  52  -9.008  15.263  -0.206
  345   2HB   GLU  52          2HB       GLU  52  -7.274  15.054  -0.475
  346   1HG   GLU  52          1HG       GLU  52  -7.700  15.030  -2.952
  347   2HG   GLU  52          2HG       GLU  52  -9.430  15.238  -2.633
  348    H    ARG  53           HN       ARG  53  -5.929  13.579  -1.071
  349    HA   ARG  53           HA       ARG  53  -5.382  12.580  -3.603
  350   1HB   ARG  53          2HB       ARG  53  -3.111  12.496  -2.983
  351   2HB   ARG  53          1HB       ARG  53  -3.823  13.871  -2.137
  352   1HG   ARG  53          1HG       ARG  53  -3.998  12.375  -0.052
  353   2HG   ARG  53          2HG       ARG  53  -3.071  11.153  -0.944
  354   1HD   ARG  53          1HD       ARG  53  -2.126  13.960  -0.272
  355   2HD   ARG  53          2HD       ARG  53  -1.597  12.442   0.486
  356    HE   ARG  53           HE       ARG  53  -1.224  12.239  -2.323
  357   1HH1  ARG  53          1HH2      ARG  53   0.225  13.880   0.490
  358   2HH1  ARG  53          2HH2      ARG  53   1.750  14.131  -0.354
  359   1HH2  ARG  53          2HH1      ARG  53   0.741  12.745  -3.386
  360   2HH2  ARG  53          1HH1      ARG  53   2.021  13.525  -2.470
  361    H    LYS  54           HN       LYS  54  -5.695  10.861  -0.586
  362    HA   LYS  54           HA       LYS  54  -4.619   8.360  -1.143
  363   1HB   LYS  54          1HB       LYS  54  -7.174   8.823   0.396
  364   2HB   LYS  54          2HB       LYS  54  -6.022   7.513   0.607
  365   1HG   LYS  54          1HG       LYS  54  -5.553  10.458   1.338
  366   2HG   LYS  54          2HG       LYS  54  -5.879   9.116   2.414
  367   1HD   LYS  54          2HD       LYS  54  -3.772   7.993   1.602
  368   2HD   LYS  54          1HD       LYS  54  -3.401   9.450   0.678
  369   1HE   LYS  54          1HE       LYS  54  -2.190   9.557   2.746
  370   2HE   LYS  54          2HE       LYS  54  -3.489  10.754   2.862
  371   1HZ   LYS  54          2HZ       LYS  54  -3.527   8.037   3.998
  372   2HZ   LYS  54          3HZ       LYS  54  -3.245   9.420   4.846
  373   3HZ   LYS  54          1HZ       LYS  54  -4.723   9.160   4.169
  374    H    ALA  55           H        ALA  55  -7.714   9.747  -2.245
  375    HA   ALA  55           HA       ALA  55  -9.160   7.536  -2.975
  376   1HB   ALA  55          3HB       ALA  55  -9.900   9.861  -3.299
  377   2HB   ALA  55          1HB       ALA  55  -8.750  10.052  -4.643
  378   3HB   ALA  55          2HB       ALA  55 -10.106   8.913  -4.785
  379    H    MET  56           H        MET  56  -6.288   8.789  -4.719
  380    HA   MET  56           HA       MET  56  -6.590   7.102  -7.040
  381   1HB   MET  56          1HB       MET  56  -4.063   8.300  -5.802
  382   2HB   MET  56          2HB       MET  56  -4.220   7.646  -7.440
  383   1HG   MET  56          2HG       MET  56  -5.652  10.095  -6.327
  384   2HG   MET  56          1HG       MET  56  -4.305  10.077  -7.461
  385   1HE   MET  56          2HE       MET  56  -6.995  11.729  -7.843
  386   2HE   MET  56          3HE       MET  56  -5.626  11.765  -8.985
  387   3HE   MET  56          1HE       MET  56  -7.276  11.466  -9.580
  388    H    MET  57           H        MET  57  -4.740   6.797  -4.029
  389    HA   MET  57           HA       MET  57  -3.510   4.277  -4.537
  390   1HB   MET  57          1HB       MET  57  -2.765   5.918  -2.868
  391   2HB   MET  57          2HB       MET  57  -4.245   5.663  -1.934
  392   1HG   MET  57          2HG       MET  57  -3.619   3.376  -1.442
  393   2HG   MET  57          1HG       MET  57  -2.222   3.476  -2.512
  394   1HE   MET  57          3HE       MET  57  -3.596   6.080   0.165
  395   2HE   MET  57          2HE       MET  57  -2.073   6.486   0.980
  396   3HE   MET  57          1HE       MET  57  -2.284   6.902  -0.728
  397    H    THR  58           H        THR  58  -6.478   5.224  -2.746
  398    HA   THR  58           HA       THR  58  -7.489   2.725  -2.036
  399    HB   THR  58           HB       THR  58  -8.748   5.365  -2.772
  400    HG1  THR  58           HG1      THR  58  -8.873   3.879  -0.392
  401   1HG2  THR  58          2HG2      THR  58 -10.305   2.838  -2.135
  402   2HG2  THR  58          1HG2      THR  58 -10.923   4.478  -1.854
  403   3HG2  THR  58          3HG2      THR  58 -10.518   3.955  -3.491
  404    H    ASN  59           H        ASN  59  -8.163   4.501  -5.160
  405    HA   ASN  59           HA       ASN  59  -9.663   2.349  -6.216
  406   1HB   ASN  59          2HB       ASN  59  -9.479   4.705  -7.141
  407   2HB   ASN  59          1HB       ASN  59  -7.970   4.209  -7.912
  408   1HD2  ASN  59          1HD2      ASN  59 -10.423   1.691  -9.700
  409   2HD2  ASN  59          2HD2      ASN  59  -9.389   1.273  -8.348
  410    H    ALA  60           H        ALA  60  -6.112   3.018  -6.375
  411    HA   ALA  60           HA       ALA  60  -5.493   0.875  -8.134
  412   1HB   ALA  60          1HB       ALA  60  -3.917   2.669  -7.611
  413   2HB   ALA  60          2HB       ALA  60  -3.763   2.088  -5.943
  414   3HB   ALA  60          3HB       ALA  60  -3.207   1.075  -7.290
  415    H    VAL  61           H        VAL  61  -5.276   0.878  -4.501
  416    HA   VAL  61           HA       VAL  61  -4.744  -1.939  -4.437
  417    HB   VAL  61           HB       VAL  61  -5.268  -1.830  -2.048
  418   1HG1  VAL  61          3HG2      VAL  61  -2.996  -1.408  -2.872
  419   2HG1  VAL  61          1HG2      VAL  61  -3.363   0.321  -3.072
  420   3HG1  VAL  61          2HG2      VAL  61  -3.336  -0.396  -1.453
  421   1HG2  VAL  61          2HG1      VAL  61  -6.894   0.219  -2.315
  422   2HG2  VAL  61          1HG1      VAL  61  -5.893   0.017  -0.865
  423   3HG2  VAL  61          3HG1      VAL  61  -5.414   1.166  -2.104
  424    H    LYS  62           HN       LYS  62  -7.830  -0.160  -4.574
  425    HA   LYS  62           HA       LYS  62  -9.527  -2.233  -3.708
  426   1HB   LYS  62          1HB       LYS  62 -10.279   0.019  -4.021
  427   2HB   LYS  62          2HB       LYS  62  -9.962  -0.038  -5.764
  428   1HG   LYS  62          1HG       LYS  62 -11.700  -1.687  -6.104
  429   2HG   LYS  62          2HG       LYS  62 -11.973  -1.839  -4.363
  430   1HD   LYS  62          1HD       LYS  62 -12.390   0.725  -5.983
  431   2HD   LYS  62          2HD       LYS  62 -13.661  -0.451  -5.610
  432   1HE   LYS  62          2HE       LYS  62 -13.247  -0.096  -3.159
  433   2HE   LYS  62          1HE       LYS  62 -12.098   1.190  -3.560
  434   1HZ   LYS  62          3HZ       LYS  62 -14.937   1.156  -4.277
  435   2HZ   LYS  62          2HZ       LYS  62 -14.241   2.047  -3.078
  436   3HZ   LYS  62          1HZ       LYS  62 -13.863   2.351  -4.654
  437    H    LYS  63           HN       LYS  63  -7.630  -2.006  -6.702
  438    HA   LYS  63           HA       LYS  63  -9.311  -3.836  -8.143
  439   1HB   LYS  63          2HB       LYS  63  -6.371  -3.294  -8.627
  440   2HB   LYS  63          1HB       LYS  63  -7.547  -3.957  -9.762
  441   1HG   LYS  63          1HG       LYS  63  -7.338  -1.133  -8.688
  442   2HG   LYS  63          2HG       LYS  63  -7.182  -1.660 -10.345
  443   1HD   LYS  63          1HD       LYS  63  -9.751  -1.630  -8.667
  444   2HD   LYS  63          2HD       LYS  63  -9.311  -0.489  -9.922
  445   1HE   LYS  63          2HE       LYS  63  -9.843  -3.468 -10.380
  446   2HE   LYS  63          1HE       LYS  63 -10.940  -2.136 -10.760
  447   1HZ   LYS  63          1HZ       LYS  63  -9.287  -1.302 -12.284
  448   2HZ   LYS  63          3HZ       LYS  63  -8.295  -2.576 -11.950
  449   3HZ   LYS  63          2HZ       LYS  63  -9.750  -2.835 -12.675
  450    H    ALA  64           H        ALA  64  -7.069  -4.284  -5.535
  451    HA   ALA  64           HA       ALA  64  -6.084  -6.931  -6.281
  452   1HB   ALA  64          1HB       ALA  64  -4.767  -5.167  -5.076
  453   2HB   ALA  64          2HB       ALA  64  -5.873  -5.336  -3.708
  454   3HB   ALA  64          3HB       ALA  64  -4.851  -6.686  -4.172
  455    H    SER  65           H        SER  65  -6.895  -8.833  -5.595
  456    HA   SER  65           HA       SER  65  -9.457  -8.945  -4.118
  457   1HB   SER  65          2HB       SER  65  -7.695 -11.161  -5.261
  458   2HB   SER  65          1HB       SER  65  -9.327 -11.364  -4.606
  459    HG   SER  65           HG       SER  65  -8.805  -9.517  -6.691
  460    H    ASP  66           HN       ASP  66  -9.531 -10.629  -2.200
  461    HA   ASP  66           HA       ASP  66  -8.049  -9.651  -0.110
  462   1HB   ASP  66          2HB       ASP  66  -8.756 -11.527   1.206
  463   2HB   ASP  66          1HB       ASP  66 -10.071 -11.047   0.130
  464    H    GLU  67           HN       GLU  67  -6.996 -12.497  -2.090
  465    HA   GLU  67           HA       GLU  67  -4.836 -13.255  -0.542
  466   1HB   GLU  67          1HB       GLU  67  -5.160 -13.339  -3.593
  467   2HB   GLU  67          2HB       GLU  67  -4.209 -14.348  -2.531
  468   1HG   GLU  67          2HG       GLU  67  -5.922 -15.784  -2.865
  469   2HG   GLU  67          1HG       GLU  67  -6.523 -14.981  -1.415
  470    H    GLU  68           HN       GLU  68  -5.158 -10.908  -3.189
  471    HA   GLU  68           HA       GLU  68  -2.427 -10.235  -3.497
  472   1HB   GLU  68          2HB       GLU  68  -5.039  -8.834  -4.215
  473   2HB   GLU  68          1HB       GLU  68  -3.457  -8.528  -4.817
  474   1HG   GLU  68          2HG       GLU  68  -5.149 -11.007  -5.303
  475   2HG   GLU  68          1HG       GLU  68  -4.761  -9.735  -6.462
  476    H    LEU  69           H        LEU  69  -5.235  -8.754  -1.884
  477    HA   LEU  69           HA       LEU  69  -4.018  -6.452  -0.861
  478   1HB   LEU  69          1HB       LEU  69  -6.190  -8.174   0.392
  479   2HB   LEU  69          2HB       LEU  69  -5.729  -6.612   1.038
  480    HG   LEU  69           HG       LEU  69  -6.846  -7.033  -1.763
  481   1HD1  LEU  69          2HD2      LEU  69  -8.537  -7.556  -0.001
  482   2HD1  LEU  69          3HD2      LEU  69  -8.211  -5.993   0.761
  483   3HD1  LEU  69          1HD2      LEU  69  -8.932  -6.065  -0.860
  484   1HD2  LEU  69          2HD1      LEU  69  -5.524  -4.903  -1.510
  485   2HD2  LEU  69          3HD1      LEU  69  -7.239  -4.634  -1.802
  486   3HD2  LEU  69          1HD1      LEU  69  -6.601  -4.444  -0.170
  487    H    LYS  70           HN       LYS  70  -4.253  -9.698   0.710
  488    HA   LYS  70           HA       LYS  70  -2.535  -9.005   2.909
  489   1HB   LYS  70          1HB       LYS  70  -3.175 -11.667   1.577
  490   2HB   LYS  70          2HB       LYS  70  -2.183 -11.511   3.038
  491   1HG   LYS  70          2HG       LYS  70  -4.042 -10.349   4.188
  492   2HG   LYS  70          1HG       LYS  70  -5.088 -10.604   2.788
  493   1HD   LYS  70          2HD       LYS  70  -3.750 -12.769   4.495
  494   2HD   LYS  70          1HD       LYS  70  -5.439 -12.270   4.620
  495   1HE   LYS  70          1HE       LYS  70  -4.150 -13.615   2.194
  496   2HE   LYS  70          2HE       LYS  70  -5.238 -14.367   3.365
  497   1HZ   LYS  70          1HZ       LYS  70  -6.937 -12.822   2.695
  498   2HZ   LYS  70          2HZ       LYS  70  -5.925 -12.149   1.579
  499   3HZ   LYS  70          3HZ       LYS  70  -6.414 -13.713   1.414
  500    H    ALA  71           H        ALA  71  -1.855 -10.365  -0.336
  501    HA   ALA  71           HA       ALA  71   0.847 -10.837   0.043
  502   1HB   ALA  71          3HB       ALA  71  -0.506 -11.569  -1.926
  503   2HB   ALA  71          2HB       ALA  71  -0.373  -9.910  -2.574
  504   3HB   ALA  71          1HB       ALA  71   1.078 -10.878  -2.301
  505    H    LEU  72           H        LEU  72  -0.667  -7.628  -0.808
  506    HA   LEU  72           HA       LEU  72   1.789  -6.333  -1.376
  507   1HB   LEU  72          1HB       LEU  72  -1.011  -5.626  -0.542
  508   2HB   LEU  72          2HB       LEU  72   0.193  -4.489  -0.053
  509    HG   LEU  72           HG       LEU  72  -0.667  -3.681  -2.061
  510   1HD1  LEU  72          3HD1      LEU  72   1.864  -3.637  -1.965
  511   2HD1  LEU  72          1HD1      LEU  72   1.868  -5.016  -3.088
  512   3HD1  LEU  72          2HD1      LEU  72   1.144  -3.489  -3.579
  513   1HD2  LEU  72          2HD2      LEU  72  -1.785  -5.731  -2.780
  514   2HD2  LEU  72          3HD2      LEU  72  -0.911  -4.916  -4.084
  515   3HD2  LEU  72          1HD2      LEU  72  -0.227  -6.387  -3.341
  516    H    ALA  73           H        ALA  73  -0.050  -6.661   1.672
  517    HA   ALA  73           HA       ALA  73   1.800  -5.408   3.374
  518   1HB   ALA  73          2HB       ALA  73  -0.515  -6.046   3.973
  519   2HB   ALA  73          3HB       ALA  73  -0.036  -7.755   4.036
  520   3HB   ALA  73          1HB       ALA  73   0.683  -6.597   5.160
  521    H    ASP  74           HN       ASP  74   1.564  -8.874   2.492
  522    HA   ASP  74           HA       ASP  74   3.760  -9.839   3.924
  523   1HB   ASP  74          1HB       ASP  74   2.239 -11.324   2.739
  524   2HB   ASP  74          2HB       ASP  74   2.770 -10.678   1.179
  525    H    TYR  75           H        TYR  75   3.852  -8.561   0.522
  526    HA   TYR  75           HA       TYR  75   6.613  -8.879   0.096
  527   1HB   TYR  75          2HB       TYR  75   5.199  -8.302  -1.735
  528   2HB   TYR  75          1HB       TYR  75   4.625  -6.840  -0.947
  529    HD1  TYR  75           HD2      TYR  75   7.702  -8.391  -2.448
  530    HD2  TYR  75           HD1      TYR  75   5.719  -4.750  -1.284
  531    HE1  TYR  75           HE2      TYR  75   9.578  -7.053  -3.379
  532    HE2  TYR  75           HE1      TYR  75   7.695  -3.448  -1.983
  533    HH   TYR  75           HH       TYR  75   9.834  -3.498  -3.005
  534    H    MET  76           H        MET  76   4.986  -5.790   1.205
  535    HA   MET  76           HA       MET  76   7.300  -4.382   1.739
  536   1HB   MET  76          2HB       MET  76   4.420  -4.390   2.797
  537   2HB   MET  76          1HB       MET  76   5.575  -3.084   3.048
  538   1HG   MET  76          2HG       MET  76   5.845  -3.063   0.502
  539   2HG   MET  76          1HG       MET  76   4.399  -4.039   0.419
  540   1HE   MET  76          1HE       MET  76   2.267  -3.276   2.088
  541   2HE   MET  76          3HE       MET  76   1.501  -1.850   1.339
  542   3HE   MET  76          2HE       MET  76   2.063  -3.195   0.324
  543    H    SER  77           H        SER  77   5.365  -6.481   3.956
  544    HA   SER  77           HA       SER  77   7.059  -5.846   6.222
  545   1HB   SER  77          2HB       SER  77   4.640  -6.526   6.290
  546   2HB   SER  77          1HB       SER  77   5.152  -8.168   5.851
  547    HG   SER  77           HG       SER  77   6.512  -8.093   7.729
  548    H    LYS  78           HN       LYS  78   8.613  -6.920   3.853
  549    HA   LYS  78           HA       LYS  78  10.199  -8.875   5.301
  550   1HB   LYS  78          1HB       LYS  78   8.350 -10.167   4.036
  551   2HB   LYS  78          2HB       LYS  78   9.027  -9.487   2.564
  552   1HG   LYS  78          1HG       LYS  78  11.303 -10.625   3.538
  553   2HG   LYS  78          2HG       LYS  78  10.147 -11.499   4.538
  554   1HD   LYS  78          2HD       LYS  78  10.269 -12.950   2.762
  555   2HD   LYS  78          1HD       LYS  78   8.938 -11.937   2.189
  556   1HE   LYS  78          1HE       LYS  78  11.902 -11.724   1.425
  557   2HE   LYS  78          2HE       LYS  78  10.594 -12.334   0.399
  558   1HZ   LYS  78          1HZ       LYS  78   9.627 -10.131   0.473
  559   2HZ   LYS  78          3HZ       LYS  78  10.887  -9.584   1.384
  560   3HZ   LYS  78          2HZ       LYS  78  11.152 -10.103  -0.156
  561    H    LEU  79           H        LEU  79  10.306  -6.039   4.492
  562    HA   LEU  79           HA       LEU  79  12.422  -6.022   2.483
  563   1HB   LEU  79          2HB       LEU  79   9.766  -5.145   2.301
  564   2HB   LEU  79          1HB       LEU  79  10.556  -3.705   2.932
  565    HG   LEU  79           HG       LEU  79  11.123  -5.398   0.493
  566   1HD1  LEU  79          1HD2      LEU  79   9.973  -2.582   0.765
  567   2HD1  LEU  79          2HD2      LEU  79  10.368  -3.358  -0.784
  568   3HD1  LEU  79          3HD2      LEU  79   9.110  -4.045   0.258
  569   1HD2  LEU  79          2HD1      LEU  79  12.478  -2.804   1.367
  570   2HD2  LEU  79          3HD1      LEU  79  13.256  -4.399   1.301
  571   3HD2  LEU  79          1HD1      LEU  79  12.750  -3.626  -0.202
  572    HHA  HEC   1           HHA      HEM   1   1.160   5.249   3.970
  573    HHB  HEC   1           HHB      HEM   1  -0.243   0.064   0.568
  574    HHC  HEC   1           HHC      HEM   1   0.625   3.501  -4.765
  575    HHD  HEC   1           HHD      HEM   1   0.889   8.837  -1.209
  576   1HMA  HEC   1          1HMA      HEM   1  -0.113   0.190   4.425
  577   2HMA  HEC   1          2HMA      HEM   1  -1.380   0.184   3.202
  578   3HMA  HEC   1          3HMA      HEM   1   0.213  -0.541   2.844
  579   1HAA  HEC   1          1HAA      HEM   1   0.920   1.873   5.482
  580   2HAA  HEC   1          2HAA      HEM   1   1.714   3.385   5.107
  581   1HBA  HEC   1          1HBA      HEM   1  -0.769   4.359   5.069
  582   2HBA  HEC   1          2HBA      HEM   1  -1.175   2.853   5.876
  583   1HMB  HEC   1          1HMB      HEM   1  -0.158  -1.469  -2.856
  584   2HMB  HEC   1          2HMB      HEM   1  -1.025  -1.171  -1.340
  585   3HMB  HEC   1          3HMB      HEM   1   0.746  -1.323  -1.348
  586    HAB  HEC   1           HAB      HEM   1   0.318   1.524  -5.381
  587   1HBB  HEC   1          1HBB      HEM   1  -1.393  -0.808  -4.524
  588   2HBB  HEC   1          2HBB      HEM   1  -1.992   0.795  -4.993
  589   3HBB  HEC   1          3HBB      HEM   1  -1.100  -0.208  -6.156
  590   1HMC  HEC   1          1HMC      HEM   1   0.351   6.910  -6.230
  591   2HMC  HEC   1          2HMC      HEM   1   0.066   5.208  -6.038
  592   3HMC  HEC   1          3HMC      HEM   1   1.735   5.788  -6.160
  593    HAC  HEC   1           HAC      HEM   1   1.339   9.375  -3.250
  594   1HBC  HEC   1          1HBC      HEM   1   1.673  10.146  -5.419
  595   2HBC  HEC   1          2HBC      HEM   1   1.840   8.530  -6.094
  596   3HBC  HEC   1          3HBC      HEM   1   0.251   9.090  -5.483
  597   1HMD  HEC   1          1HMD      HEM   1  -0.450  10.021   0.593
  598   2HMD  HEC   1          2HMD      HEM   1   1.284  10.221   0.914
  599   3HMD  HEC   1          3HMD      HEM   1   0.123  10.275   2.247
  600   1HAD  HEC   1          1HAD      HEM   1   0.383   9.058   4.060
  601   2HAD  HEC   1          2HAD      HEM   1  -0.934   7.932   4.144
  602   1HBD  HEC   1          1HBD      HEM   1   1.871   7.138   5.086
  603   2HBD  HEC   1          2HBD      HEM   1   0.336   6.384   5.486
   
  No H/Q in entry =         603
  Start of MODEL    3
    1   1H    ALA   1          3H        ALA   1  -1.087 -12.036  -5.918
    2   2H    ALA   1          2H        ALA   1  -1.529 -12.969  -7.208
    3   3H    ALA   1          1H        ALA   1  -1.473 -13.576  -5.658
    4    HA   ALA   1           HA       ALA   1   0.587 -14.280  -6.606
    5   1HB   ALA   1          2HB       ALA   1   0.826 -11.383  -7.550
    6   2HB   ALA   1          3HB       ALA   1   2.058 -12.645  -7.762
    7   3HB   ALA   1          1HB       ALA   1   0.496 -12.789  -8.587
    8    H    ASP   2           HN       ASP   2   2.862 -13.630  -5.627
    9    HA   ASP   2           HA       ASP   2   2.362 -13.009  -2.885
   10   1HB   ASP   2          2HB       ASP   2   3.941 -14.732  -3.653
   11   2HB   ASP   2          1HB       ASP   2   4.998 -13.467  -4.308
   12    H    GLY   3           H        GLY   3   1.572 -10.612  -4.021
   13   1HA   GLY   3          2HA       GLY   3   1.773  -8.416  -3.586
   14   2HA   GLY   3          1HA       GLY   3   3.216  -8.744  -2.627
   15    H    ALA   4           H        ALA   4   5.050  -9.565  -4.259
   16    HA   ALA   4           HA       ALA   4   6.373  -7.420  -5.241
   17   1HB   ALA   4          2HB       ALA   4   7.340  -9.665  -4.978
   18   2HB   ALA   4          1HB       ALA   4   6.499 -10.218  -6.434
   19   3HB   ALA   4          3HB       ALA   4   7.751  -8.963  -6.554
   20    H    ALA   5           H        ALA   5   4.480  -9.569  -7.337
   21    HA   ALA   5           HA       ALA   5   4.854  -8.311  -9.800
   22   1HB   ALA   5          3HB       ALA   5   2.408  -9.812  -8.781
   23   2HB   ALA   5          2HB       ALA   5   2.762  -9.449 -10.485
   24   3HB   ALA   5          1HB       ALA   5   3.838 -10.518  -9.564
   25    H    LEU   6           H        LEU   6   2.499  -7.462  -7.232
   26    HA   LEU   6           HA       LEU   6   1.195  -5.381  -8.799
   27   1HB   LEU   6          1HB       LEU   6   1.083  -6.290  -5.901
   28   2HB   LEU   6          2HB       LEU   6   0.175  -4.934  -6.578
   29    HG   LEU   6           HG       LEU   6  -0.879  -6.462  -8.177
   30   1HD1  LEU   6          1HD2      LEU   6   0.528  -8.718  -6.707
   31   2HD1  LEU   6          3HD2      LEU   6  -0.915  -8.910  -7.728
   32   3HD1  LEU   6          2HD2      LEU   6   0.567  -8.355  -8.459
   33   1HD2  LEU   6          3HD1      LEU   6  -1.835  -5.890  -5.908
   34   2HD2  LEU   6          1HD1      LEU   6  -2.353  -7.481  -6.487
   35   3HD2  LEU   6          2HD1      LEU   6  -1.066  -7.351  -5.254
   36    H    TYR   7           H        TYR   7   3.341  -5.675  -5.963
   37    HA   TYR   7           HA       TYR   7   3.688  -3.096  -5.203
   38   1HB   TYR   7          1HB       TYR   7   4.584  -5.049  -4.000
   39   2HB   TYR   7          2HB       TYR   7   5.894  -5.154  -5.182
   40    HD1  TYR   7           HD1      TYR   7   4.275  -2.818  -2.728
   41    HD2  TYR   7           HD2      TYR   7   7.850  -3.762  -4.948
   42    HE1  TYR   7           HE1      TYR   7   5.390  -0.806  -1.803
   43    HE2  TYR   7           HE2      TYR   7   8.986  -1.809  -3.938
   44    HH   TYR   7           HH       TYR   7   8.436   0.382  -3.061
   45    H    LYS   8           HN       LYS   8   5.545  -4.713  -7.814
   46    HA   LYS   8           HA       LYS   8   7.447  -2.810  -8.333
   47   1HB   LYS   8          1HB       LYS   8   7.558  -3.682 -10.578
   48   2HB   LYS   8          2HB       LYS   8   7.273  -4.969  -9.409
   49   1HG   LYS   8          1HG       LYS   8   5.699  -5.641 -10.855
   50   2HG   LYS   8          2HG       LYS   8   4.689  -4.441 -10.059
   51   1HD   LYS   8          1HD       LYS   8   5.205  -2.778 -11.829
   52   2HD   LYS   8          2HD       LYS   8   6.355  -3.900 -12.568
   53   1HE   LYS   8          2HE       LYS   8   4.225  -3.862 -13.788
   54   2HE   LYS   8          1HE       LYS   8   4.548  -5.469 -13.113
   55   1HZ   LYS   8          3HZ       LYS   8   2.790  -3.465 -11.868
   56   2HZ   LYS   8          2HZ       LYS   8   2.278  -4.725 -12.805
   57   3HZ   LYS   8          1HZ       LYS   8   3.033  -5.019 -11.372
   58    H    SER   9           H        SER   9   3.995  -2.461  -9.014
   59    HA   SER   9           HA       SER   9   4.280  -0.154 -10.753
   60   1HB   SER   9          2HB       SER   9   1.785  -0.757  -9.150
   61   2HB   SER   9          1HB       SER   9   1.955  -0.168 -10.810
   62    HG   SER   9           HG       SER   9   2.256  -2.775  -9.752
   63    H    CYS  10           H        CYS  10   3.720  -0.776  -7.320
   64    HA   CYS  10           HA       CYS  10   2.848   1.820  -6.499
   65   1HB   CYS  10          2HB       CYS  10   4.185  -0.251  -4.768
   66   2HB   CYS  10          1HB       CYS  10   3.015   0.936  -4.274
   67    H    ILE  11           H        ILE  11   5.945   0.207  -6.887
   68    HA   ILE  11           HA       ILE  11   7.734   1.767  -5.557
   69    HB   ILE  11           HB       ILE  11   7.921   0.676  -8.381
   70   1HG1  ILE  11          1HG1      ILE  11   8.985  -0.261  -5.679
   71   2HG1  ILE  11          2HG1      ILE  11   7.666  -0.996  -6.588
   72   1HG2  ILE  11          2HG2      ILE  11  10.217   1.798  -6.739
   73   2HG2  ILE  11          1HG2      ILE  11  10.371   0.927  -8.276
   74   3HG2  ILE  11          3HG2      ILE  11   9.582   2.481  -8.249
   75   1HD1  ILE  11          2HD1      ILE  11   9.369  -1.472  -8.442
   76   2HD1  ILE  11          1HD1      ILE  11  10.624  -1.039  -7.256
   77   3HD1  ILE  11          3HD1      ILE  11   9.540  -2.393  -6.931
   78    H    GLY  12           H        GLY  12   5.927   2.732  -8.485
   79   1HA   GLY  12          1HA       GLY  12   7.271   4.977  -9.364
   80   2HA   GLY  12          2HA       GLY  12   5.507   4.816  -9.318
   81    H    CYS  13           H        CYS  13   5.227   4.690  -6.435
   82    HA   CYS  13           HA       CYS  13   5.775   7.568  -5.735
   83   1HB   CYS  13          2HB       CYS  13   3.603   5.631  -4.994
   84   2HB   CYS  13          1HB       CYS  13   3.958   7.068  -4.041
   85    H    HIS  14           HN       HIS  14   5.909   4.191  -4.599
   86    HA   HIS  14           HA       HIS  14   6.852   4.988  -1.948
   87   1HB   HIS  14          2HB       HIS  14   6.069   2.417  -3.373
   88   2HB   HIS  14          1HB       HIS  14   6.807   2.351  -1.799
   89    HD1  HIS  14           HD1      HIS  14   5.625   3.950   0.113
   90    HD2  HIS  14           HD2      HIS  14   3.342   3.022  -3.268
   91    HE1  HIS  14           HE1      HIS  14   3.240   4.447   0.687
   92    H    GLY  15           H        GLY  15   8.565   4.165  -4.856
   93   1HA   GLY  15          1HA       GLY  15  10.882   4.041  -5.087
   94   2HA   GLY  15          2HA       GLY  15  11.098   4.140  -3.335
   95    H    ALA  16           H        ALA  16  12.629   2.231  -4.431
   96    HA   ALA  16           HA       ALA  16  11.257  -0.299  -4.836
   97   1HB   ALA  16          2HB       ALA  16  13.308   0.318  -6.044
   98   2HB   ALA  16          1HB       ALA  16  14.213   0.318  -4.512
   99   3HB   ALA  16          3HB       ALA  16  13.505  -1.189  -5.133
  100    H    ASP  17           HN       ASP  17  10.385   0.557  -2.371
  101    HA   ASP  17           HA       ASP  17  10.810  -1.609  -0.723
  102   1HB   ASP  17          2HB       ASP  17  12.024  -0.668   1.205
  103   2HB   ASP  17          1HB       ASP  17  13.063  -0.921  -0.175
  104    H    GLY  18           H        GLY  18  10.273   1.913  -0.563
  105   1HA   GLY  18          2HA       GLY  18   7.858   2.615  -0.049
  106   2HA   GLY  18          1HA       GLY  18   7.954   1.473   1.288
  107    H    SER  19           H        SER  19  10.078   3.970  -0.133
  108    HA   SER  19           HA       SER  19  10.852   4.875   2.614
  109   1HB   SER  19          1HB       SER  19  12.908   5.663   1.326
  110   2HB   SER  19          2HB       SER  19  12.705   3.913   1.479
  111    HG   SER  19           HG       SER  19  12.294   3.751  -0.601
  112    H    LYS  20           HN       LYS  20  10.702   6.154  -0.702
  113    HA   LYS  20           HA       LYS  20  11.060   8.795   0.073
  114   1HB   LYS  20          2HB       LYS  20  10.940   9.347  -2.212
  115   2HB   LYS  20          1HB       LYS  20  11.664   7.743  -2.056
  116   1HG   LYS  20          2HG       LYS  20   9.365   6.783  -2.682
  117   2HG   LYS  20          1HG       LYS  20   8.886   8.451  -3.035
  118   1HD   LYS  20          1HD       LYS  20  10.872   8.663  -4.577
  119   2HD   LYS  20          2HD       LYS  20  11.235   6.955  -4.297
  120   1HE   LYS  20          1HE       LYS  20  10.067   7.245  -6.423
  121   2HE   LYS  20          2HE       LYS  20   9.050   6.328  -5.309
  122   1HZ   LYS  20          2HZ       LYS  20   8.800   9.207  -5.830
  123   2HZ   LYS  20          1HZ       LYS  20   7.860   8.019  -6.491
  124   3HZ   LYS  20          3HZ       LYS  20   7.822   8.287  -4.863
  125    H    ALA  21           H        ALA  21   8.724   8.034   1.527
  126    HA   ALA  21           HA       ALA  21   6.671   8.697   2.138
  127   1HB   ALA  21          1HB       ALA  21   8.342  10.361   2.926
  128   2HB   ALA  21          2HB       ALA  21   7.946  11.388   1.528
  129   3HB   ALA  21          3HB       ALA  21   6.718  11.043   2.764
  130    H    ALA  22           H        ALA  22   6.715   8.384  -0.868
  131    HA   ALA  22           HA       ALA  22   5.403   8.895  -2.701
  132   1HB   ALA  22          1HB       ALA  22   4.297   7.115  -1.455
  133   2HB   ALA  22          2HB       ALA  22   3.359   8.309  -0.538
  134   3HB   ALA  22          3HB       ALA  22   3.127   8.142  -2.293
  135    H    MET  23           H        MET  23   2.522  10.003  -1.693
  136    HA   MET  23           HA       MET  23   2.932  12.591  -2.851
  137   1HB   MET  23          1HB       MET  23   0.568  11.548  -1.263
  138   2HB   MET  23          2HB       MET  23   0.614  13.063  -2.168
  139   1HG   MET  23          1HG       MET  23   0.935  10.295  -3.348
  140   2HG   MET  23          2HG       MET  23  -0.518  11.276  -3.422
  141   1HE   MET  23          2HE       MET  23  -0.925  13.276  -4.900
  142   2HE   MET  23          3HE       MET  23   0.434  14.211  -4.223
  143   3HE   MET  23          1HE       MET  23   0.273  14.020  -5.982
  144    H    GLY  24           H        GLY  24   4.757  13.230  -1.544
  145   1HA   GLY  24          2HA       GLY  24   5.479  15.091  -0.399
  146   2HA   GLY  24          1HA       GLY  24   3.845  15.383   0.189
  147    H    SER  25           H        SER  25   3.235  13.234   1.784
  148    HA   SER  25           HA       SER  25   5.506  12.873   3.672
  149   1HB   SER  25          2HB       SER  25   3.032  14.393   4.543
  150   2HB   SER  25          1HB       SER  25   4.467  14.021   5.515
  151    HG   SER  25           HG       SER  25   5.515  15.216   3.544
  152    H    ALA  26           H        ALA  26   4.252  10.859   2.315
  153    HA   ALA  26           HA       ALA  26   2.194   9.619   3.954
  154   1HB   ALA  26          1HB       ALA  26   2.539   9.058   1.559
  155   2HB   ALA  26          2HB       ALA  26   4.161   8.437   1.934
  156   3HB   ALA  26          3HB       ALA  26   2.758   7.611   2.579
  157    H    LYS  27           HN       LYS  27   2.501   8.087   5.689
  158    HA   LYS  27           HA       LYS  27   5.036   8.034   7.007
  159   1HB   LYS  27          1HB       LYS  27   3.188   5.664   7.219
  160   2HB   LYS  27          2HB       LYS  27   4.270   6.354   8.412
  161   1HG   LYS  27          2HG       LYS  27   1.588   7.425   7.506
  162   2HG   LYS  27          1HG       LYS  27   2.011   6.716   9.050
  163   1HD   LYS  27          1HD       LYS  27   3.405   8.631   9.650
  164   2HD   LYS  27          2HD       LYS  27   3.278   9.310   8.019
  165   1HE   LYS  27          2HE       LYS  27   1.801  10.501   9.571
  166   2HE   LYS  27          1HE       LYS  27   0.898   9.716   8.267
  167   1HZ   LYS  27          2HZ       LYS  27   1.214   8.654  10.989
  168   2HZ   LYS  27          3HZ       LYS  27  -0.128   9.406  10.398
  169   3HZ   LYS  27          1HZ       LYS  27   0.343   7.959   9.772
  170    HA   PRO  28           HA       PRO  28   7.005   5.477   3.939
  171   1HB   PRO  28          1HB       PRO  28   8.705   4.531   6.295
  172   2HB   PRO  28          2HB       PRO  28   9.273   4.975   4.658
  173   1HG   PRO  28          2HG       PRO  28   9.516   6.759   6.681
  174   2HG   PRO  28          1HG       PRO  28   8.900   7.304   5.092
  175   1HD   PRO  28          2HD       PRO  28   7.300   6.669   7.586
  176   2HD   PRO  28          1HD       PRO  28   7.143   8.030   6.430
  177    H    VAL  29           H        VAL  29   6.930   3.396   3.221
  178    HA   VAL  29           HA       VAL  29   4.965   1.682   4.616
  179    HB   VAL  29           HB       VAL  29   5.890   2.166   1.820
  180   1HG1  VAL  29          2HG1      VAL  29   6.487  -0.246   1.976
  181   2HG1  VAL  29          1HG1      VAL  29   4.841  -0.584   2.564
  182   3HG1  VAL  29          3HG1      VAL  29   5.113   0.091   0.933
  183   1HG2  VAL  29          3HG2      VAL  29   3.746   2.981   2.718
  184   2HG2  VAL  29          1HG2      VAL  29   3.489   1.821   1.392
  185   3HG2  VAL  29          2HG2      VAL  29   3.259   1.306   3.070
  186    H    LYS  30           HN       LYS  30   8.346   1.783   3.703
  187    HA   LYS  30           HA       LYS  30   9.262  -0.729   3.604
  188   1HB   LYS  30          2HB       LYS  30  10.555   1.360   3.472
  189   2HB   LYS  30          1HB       LYS  30  10.530   1.499   5.242
  190   1HG   LYS  30          1HG       LYS  30  11.703  -0.761   5.341
  191   2HG   LYS  30          2HG       LYS  30  11.721  -0.759   3.580
  192   1HD   LYS  30          1HD       LYS  30  13.019   1.439   3.678
  193   2HD   LYS  30          2HD       LYS  30  13.063   1.262   5.439
  194   1HE   LYS  30          2HE       LYS  30  15.158   0.455   4.477
  195   2HE   LYS  30          1HE       LYS  30  14.270  -0.914   5.178
  196   1HZ   LYS  30          2HZ       LYS  30  14.228  -0.200   2.329
  197   2HZ   LYS  30          3HZ       LYS  30  15.213  -1.349   2.993
  198   3HZ   LYS  30          1HZ       LYS  30  13.585  -1.557   3.028
  199    H    GLY  31           H        GLY  31   8.409  -2.405   4.772
  200   1HA   GLY  31          2HA       GLY  31   7.892  -3.766   6.452
  201   2HA   GLY  31          1HA       GLY  31   9.308  -3.093   7.234
  202    H    GLN  32           H        GLN  32   6.124  -1.332   6.718
  203    HA   GLN  32           HA       GLN  32   6.089  -0.317   9.318
  204   1HB   GLN  32          1HB       GLN  32   3.411  -1.113   8.138
  205   2HB   GLN  32          2HB       GLN  32   3.833   0.229   9.189
  206   1HG   GLN  32          2HG       GLN  32   5.245   1.071   7.233
  207   2HG   GLN  32          1HG       GLN  32   4.356  -0.112   6.250
  208   1HE2  GLN  32          1HE2      GLN  32   2.599   3.376   6.324
  209   2HE2  GLN  32          2HE2      GLN  32   4.319   3.062   6.463
  210    H    GLY  33           H        GLY  33   4.283  -2.977   8.287
  211   1HA   GLY  33          2HA       GLY  33   5.037  -5.099   9.940
  212   2HA   GLY  33          1HA       GLY  33   3.789  -4.246  10.878
  213    H    ALA  34           H        ALA  34   3.613  -7.003   9.584
  214    HA   ALA  34           HA       ALA  34   2.004  -6.740   7.223
  215   1HB   ALA  34          3HB       ALA  34   3.183  -8.842   7.788
  216   2HB   ALA  34          2HB       ALA  34   2.087  -9.076   9.171
  217   3HB   ALA  34          1HB       ALA  34   1.454  -9.084   7.511
  218    H    GLU  35           HN       GLU  35   1.153  -6.917  10.648
  219    HA   GLU  35           HA       GLU  35  -1.669  -7.130  10.364
  220   1HB   GLU  35          2HB       GLU  35   0.096  -5.834  12.520
  221   2HB   GLU  35          1HB       GLU  35  -1.641  -6.052  12.635
  222   1HG   GLU  35          2HG       GLU  35  -0.604  -7.851  13.840
  223   2HG   GLU  35          1HG       GLU  35  -1.342  -8.531  12.386
  224    H    GLU  36           HN       GLU  36   0.459  -4.262  10.899
  225    HA   GLU  36           HA       GLU  36  -1.302  -2.177  10.745
  226   1HB   GLU  36          2HB       GLU  36   1.623  -2.720   9.973
  227   2HB   GLU  36          1HB       GLU  36   0.919  -1.153   9.877
  228   1HG   GLU  36          2HG       GLU  36   1.064  -2.806  12.432
  229   2HG   GLU  36          1HG       GLU  36   2.238  -1.579  11.932
  230    H    LEU  37           H        LEU  37   0.784  -3.518   8.157
  231    HA   LEU  37           HA       LEU  37  -0.230  -1.967   6.051
  232   1HB   LEU  37          1HB       LEU  37   1.146  -4.661   6.138
  233   2HB   LEU  37          2HB       LEU  37   0.700  -3.885   4.622
  234    HG   LEU  37           HG       LEU  37   2.387  -2.391   6.651
  235   1HD1  LEU  37          2HD2      LEU  37   3.360  -4.258   4.460
  236   2HD1  LEU  37          1HD2      LEU  37   4.387  -3.142   5.390
  237   3HD1  LEU  37          3HD2      LEU  37   3.578  -4.486   6.201
  238   1HD2  LEU  37          1HD1      LEU  37   2.059  -2.200   3.629
  239   2HD2  LEU  37          2HD1      LEU  37   1.446  -1.041   4.839
  240   3HD2  LEU  37          3HD1      LEU  37   3.183  -1.232   4.592
  241    H    TYR  38           HN       TYR  38  -1.112  -5.454   6.730
  242    HA   TYR  38           HA       TYR  38  -3.068  -5.668   4.858
  243   1HB   TYR  38          2HB       TYR  38  -2.343  -7.542   6.205
  244   2HB   TYR  38          1HB       TYR  38  -3.153  -6.866   7.622
  245    HD1  TYR  38           HD1      TYR  38  -4.125  -7.417   3.987
  246    HD2  TYR  38           HE2      TYR  38  -5.138  -8.049   8.138
  247    HE1  TYR  38           HD2      TYR  38  -6.272  -8.393   3.311
  248    HE2  TYR  38           HE1      TYR  38  -7.262  -9.122   7.437
  249    HH   TYR  38           HH       TYR  38  -8.134  -9.603   4.005
  250    H    LYS  39           HN       LYS  39  -3.567  -4.442   8.169
  251    HA   LYS  39           HA       LYS  39  -6.354  -3.886   7.888
  252   1HB   LYS  39          1HB       LYS  39  -4.183  -2.632   9.622
  253   2HB   LYS  39          2HB       LYS  39  -5.883  -2.202   9.762
  254   1HG   LYS  39          2HG       LYS  39  -4.828  -5.052  10.064
  255   2HG   LYS  39          1HG       LYS  39  -5.027  -3.924  11.411
  256   1HD   LYS  39          2HD       LYS  39  -7.464  -3.719  10.856
  257   2HD   LYS  39          1HD       LYS  39  -7.273  -4.960   9.608
  258   1HE   LYS  39          2HE       LYS  39  -6.716  -5.335  12.587
  259   2HE   LYS  39          1HE       LYS  39  -8.149  -5.902  11.714
  260   1HZ   LYS  39          1HZ       LYS  39  -6.717  -7.268  10.370
  261   2HZ   LYS  39          2HZ       LYS  39  -5.390  -6.767  11.211
  262   3HZ   LYS  39          3HZ       LYS  39  -6.564  -7.637  11.969
  263    H    LYS  40           HN       LYS  40  -3.475  -1.762   7.221
  264    HA   LYS  40           HA       LYS  40  -4.978   0.494   6.484
  265   1HB   LYS  40          1HB       LYS  40  -2.166  -0.509   5.927
  266   2HB   LYS  40          2HB       LYS  40  -2.777   1.035   5.390
  267   1HG   LYS  40          2HG       LYS  40  -3.078   1.863   7.586
  268   2HG   LYS  40          1HG       LYS  40  -3.045   0.253   8.307
  269   1HD   LYS  40          1HD       LYS  40  -0.627   0.024   7.680
  270   2HD   LYS  40          2HD       LYS  40  -0.634   1.669   7.096
  271   1HE   LYS  40          2HE       LYS  40  -1.238   0.798   9.957
  272   2HE   LYS  40          1HE       LYS  40   0.271   1.522   9.373
  273   1HZ   LYS  40          3HZ       LYS  40  -0.994   3.472   8.758
  274   2HZ   LYS  40          1HZ       LYS  40  -2.360   2.818   9.405
  275   3HZ   LYS  40          2HZ       LYS  40  -1.076   3.163  10.379
  276    H    MET  41           H        MET  41  -3.447  -2.044   4.244
  277    HA   MET  41           HA       MET  41  -4.586  -0.923   1.957
  278   1HB   MET  41          1HB       MET  41  -4.639  -3.637   1.379
  279   2HB   MET  41          2HB       MET  41  -3.400  -2.436   1.020
  280   1HG   MET  41          2HG       MET  41  -3.308  -4.115   3.473
  281   2HG   MET  41          1HG       MET  41  -2.623  -4.707   1.945
  282   1HE   MET  41          2HE       MET  41  -1.297  -2.991   0.387
  283   2HE   MET  41          3HE       MET  41   0.287  -2.563   1.075
  284   3HE   MET  41          1HE       MET  41  -0.266  -4.260   1.098
  285    H    LYS  42           HN       LYS  42  -6.083  -3.291   4.242
  286    HA   LYS  42           HA       LYS  42  -8.488  -3.573   2.716
  287   1HB   LYS  42          1HB       LYS  42  -7.870  -3.853   5.676
  288   2HB   LYS  42          2HB       LYS  42  -9.465  -4.190   5.016
  289   1HG   LYS  42          2HG       LYS  42  -6.932  -5.521   3.969
  290   2HG   LYS  42          1HG       LYS  42  -7.846  -6.170   5.318
  291   1HD   LYS  42          2HD       LYS  42  -8.954  -5.724   2.489
  292   2HD   LYS  42          1HD       LYS  42  -8.374  -7.252   3.118
  293   1HE   LYS  42          1HE       LYS  42 -10.819  -5.724   4.101
  294   2HE   LYS  42          2HE       LYS  42 -10.773  -7.240   3.201
  295   1HZ   LYS  42          3HZ       LYS  42  -9.621  -8.231   5.077
  296   2HZ   LYS  42          2HZ       LYS  42  -9.782  -6.830   5.928
  297   3HZ   LYS  42          1HZ       LYS  42 -11.122  -7.674   5.479
  298    H    GLY  43           H        GLY  43  -7.613  -1.258   5.324
  299   1HA   GLY  43          2HA       GLY  43 -10.048   0.097   5.563
  300   2HA   GLY  43          1HA       GLY  43  -8.440   0.765   5.868
  301    H    TYR  44           H        TYR  44  -7.246   0.817   3.417
  302    HA   TYR  44           HA       TYR  44  -8.390   3.051   2.090
  303   1HB   TYR  44          2HB       TYR  44  -6.186   1.054   1.489
  304   2HB   TYR  44          1HB       TYR  44  -6.710   2.219   0.286
  305    HD1  TYR  44           HD2      TYR  44  -6.801   4.729   0.963
  306    HD2  TYR  44           HD1      TYR  44  -4.350   1.724   2.840
  307    HE1  TYR  44           HE2      TYR  44  -5.304   6.483   1.858
  308    HE2  TYR  44           HE1      TYR  44  -2.926   3.486   3.796
  309    HH   TYR  44           HH       TYR  44  -2.575   5.767   4.052
  310    H    ALA  45           H        ALA  45  -8.192  -0.428   1.084
  311    HA   ALA  45           HA       ALA  45  -9.636  -0.177  -1.314
  312   1HB   ALA  45          1HB       ALA  45  -8.384  -2.201  -0.659
  313   2HB   ALA  45          3HB       ALA  45  -9.577  -2.538   0.614
  314   3HB   ALA  45          2HB       ALA  45 -10.058  -2.592  -1.094
  315    H    ASP  46           HN       ASP  46 -10.881  -0.759   1.980
  316    HA   ASP  46           HA       ASP  46 -13.653  -0.937   1.271
  317   1HB   ASP  46          2HB       ASP  46 -12.835  -1.804   3.377
  318   2HB   ASP  46          1HB       ASP  46 -12.182  -0.227   3.839
  319    H    GLY  47           H        GLY  47 -11.471   1.769   2.071
  320   1HA   GLY  47          2HA       GLY  47 -11.712   3.932   1.223
  321   2HA   GLY  47          1HA       GLY  47 -13.452   3.711   1.010
  322    H    SER  48           H        SER  48 -12.000   2.632   4.083
  323    HA   SER  48           HA       SER  48 -13.439   4.758   5.537
  324   1HB   SER  48          2HB       SER  48 -12.384   3.166   7.381
  325   2HB   SER  48          1HB       SER  48 -13.858   2.683   6.520
  326    HG   SER  48           HG       SER  48 -12.774   1.210   5.468
  327    H    TYR  49           H        TYR  49 -10.294   3.090   5.599
  328    HA   TYR  49           HA       TYR  49  -8.960   5.383   6.842
  329   1HB   TYR  49          1HB       TYR  49  -8.382   2.993   7.356
  330   2HB   TYR  49          2HB       TYR  49  -7.765   2.832   5.713
  331    HD1  TYR  49           HD1      TYR  49  -7.377   5.125   8.690
  332    HD2  TYR  49           HD2      TYR  49  -5.460   3.095   5.407
  333    HE1  TYR  49           HE1      TYR  49  -5.211   6.152   9.313
  334    HE2  TYR  49           HE2      TYR  49  -3.298   4.105   6.046
  335    HH   TYR  49           HH       TYR  49  -2.189   5.529   7.515
  336    H    GLY  50           H        GLY  50  -9.813   6.734   4.969
  337   1HA   GLY  50          2HA       GLY  50  -7.718   6.918   2.828
  338   2HA   GLY  50          1HA       GLY  50  -9.430   7.083   2.466
  339    H    GLY  51           H        GLY  51  -9.318   9.308   1.800
  340   1HA   GLY  51          1HA       GLY  51  -9.674  11.430   3.421
  341   2HA   GLY  51          2HA       GLY  51  -7.902  11.288   3.407
  342    H    GLU  52           HN       GLU  52  -7.475  13.109   2.158
  343    HA   GLU  52           HA       GLU  52  -8.883  13.616  -0.353
  344   1HB   GLU  52          2HB       GLU  52  -6.924  15.473  -0.392
  345   2HB   GLU  52          1HB       GLU  52  -8.479  15.644   0.399
  346   1HG   GLU  52          2HG       GLU  52  -6.619  16.429   1.805
  347   2HG   GLU  52          1HG       GLU  52  -7.585  15.177   2.579
  348    H    ARG  53           HN       ARG  53  -5.234  13.798  -0.188
  349    HA   ARG  53           HA       ARG  53  -4.875  12.942  -2.781
  350   1HB   ARG  53          1HB       ARG  53  -2.595  12.746  -2.152
  351   2HB   ARG  53          2HB       ARG  53  -3.272  14.072  -1.222
  352   1HG   ARG  53          1HG       ARG  53  -3.550  12.321   0.717
  353   2HG   ARG  53          2HG       ARG  53  -2.526  11.270  -0.281
  354   1HD   ARG  53          1HD       ARG  53  -1.086  12.392   1.250
  355   2HD   ARG  53          2HD       ARG  53  -0.829  13.152  -0.339
  356    HE   ARG  53           HE       ARG  53  -2.851  14.536   1.142
  357   1HH1  ARG  53          2HH1      ARG  53   0.698  14.151   0.950
  358   2HH1  ARG  53          1HH1      ARG  53   1.007  15.653   1.768
  359   1HH2  ARG  53          2HH2      ARG  53  -2.415  16.490   2.146
  360   2HH2  ARG  53          1HH2      ARG  53  -0.780  17.026   2.435
  361    H    LYS  54           HN       LYS  54  -5.345  11.154   0.118
  362    HA   LYS  54           HA       LYS  54  -4.635   8.548  -0.295
  363   1HB   LYS  54          2HB       LYS  54  -7.197   9.654   0.862
  364   2HB   LYS  54          1HB       LYS  54  -6.520   8.089   1.246
  365   1HG   LYS  54          1HG       LYS  54  -5.525  10.852   2.079
  366   2HG   LYS  54          2HG       LYS  54  -6.002   9.480   3.048
  367   1HD   LYS  54          1HD       LYS  54  -3.915   8.254   2.058
  368   2HD   LYS  54          2HD       LYS  54  -3.441   9.839   1.450
  369   1HE   LYS  54          2HE       LYS  54  -2.317   9.598   3.524
  370   2HE   LYS  54          1HE       LYS  54  -3.662  10.691   3.873
  371   1HZ   LYS  54          2HZ       LYS  54  -3.637   7.783   4.347
  372   2HZ   LYS  54          3HZ       LYS  54  -3.378   8.929   5.501
  373   3HZ   LYS  54          1HZ       LYS  54  -4.852   8.815   4.769
  374    H    ALA  55           H        ALA  55  -7.311  10.289  -1.829
  375    HA   ALA  55           HA       ALA  55  -8.907   8.204  -2.782
  376   1HB   ALA  55          3HB       ALA  55  -9.383  10.585  -3.171
  377   2HB   ALA  55          2HB       ALA  55  -8.003  10.698  -4.286
  378   3HB   ALA  55          1HB       ALA  55  -9.403   9.684  -4.701
  379    H    MET  56           H        MET  56  -5.702   9.271  -3.996
  380    HA   MET  56           HA       MET  56  -5.636   7.637  -6.359
  381   1HB   MET  56          1HB       MET  56  -3.364   8.635  -4.572
  382   2HB   MET  56          2HB       MET  56  -3.184   7.956  -6.195
  383   1HG   MET  56          2HG       MET  56  -4.538   9.821  -7.123
  384   2HG   MET  56          1HG       MET  56  -4.735  10.488  -5.502
  385   1HE   MET  56          2HE       MET  56  -1.805   9.155  -7.782
  386   2HE   MET  56          3HE       MET  56  -2.606  10.467  -8.679
  387   3HE   MET  56          1HE       MET  56  -0.948  10.686  -8.072
  388    H    MET  57           H        MET  57  -4.400   7.173  -3.047
  389    HA   MET  57           HA       MET  57  -3.337   4.594  -3.264
  390   1HB   MET  57          1HB       MET  57  -4.205   6.502  -1.140
  391   2HB   MET  57          2HB       MET  57  -4.401   4.837  -0.667
  392   1HG   MET  57          1HG       MET  57  -1.890   6.122  -1.755
  393   2HG   MET  57          2HG       MET  57  -2.202   5.783  -0.045
  394   1HE   MET  57          1HE       MET  57  -3.612   2.829  -0.340
  395   2HE   MET  57          3HE       MET  57  -2.254   1.710  -0.320
  396   3HE   MET  57          2HE       MET  57  -2.327   3.013   0.884
  397    H    THR  58           H        THR  58  -6.554   5.656  -2.262
  398    HA   THR  58           HA       THR  58  -7.829   3.244  -1.712
  399    HB   THR  58           HB       THR  58  -8.989   5.731  -3.046
  400    HG1  THR  58           HG1      THR  58  -7.937   6.196  -1.107
  401   1HG2  THR  58          3HG2      THR  58 -10.381   3.548  -1.481
  402   2HG2  THR  58          1HG2      THR  58 -11.096   5.091  -1.973
  403   3HG2  THR  58          2HG2      THR  58 -10.592   3.917  -3.201
  404    H    ASN  59           H        ASN  59  -7.771   4.989  -4.897
  405    HA   ASN  59           HA       ASN  59  -9.047   2.882  -6.311
  406   1HB   ASN  59          2HB       ASN  59  -8.698   5.288  -7.045
  407   2HB   ASN  59          1HB       ASN  59  -7.049   4.843  -7.496
  408   1HD2  ASN  59          1HD2      ASN  59  -9.014   2.465  -9.945
  409   2HD2  ASN  59          2HD2      ASN  59  -8.319   1.964  -8.416
  410    H    ALA  60           H        ALA  60  -5.569   3.519  -5.638
  411    HA   ALA  60           HA       ALA  60  -4.515   1.590  -7.429
  412   1HB   ALA  60          2HB       ALA  60  -3.183   3.374  -6.334
  413   2HB   ALA  60          1HB       ALA  60  -3.312   2.515  -4.785
  414   3HB   ALA  60          3HB       ALA  60  -2.466   1.766  -6.147
  415    H    VAL  61           H        VAL  61  -5.224   1.274  -3.887
  416    HA   VAL  61           HA       VAL  61  -4.603  -1.547  -3.938
  417    HB   VAL  61           HB       VAL  61  -5.504  -1.668  -1.716
  418   1HG1  VAL  61          2HG2      VAL  61  -3.224  -0.807  -2.021
  419   2HG1  VAL  61          3HG2      VAL  61  -3.841   0.855  -2.100
  420   3HG1  VAL  61          1HG2      VAL  61  -4.006  -0.088  -0.605
  421   1HG2  VAL  61          3HG1      VAL  61  -7.463  -0.129  -2.001
  422   2HG2  VAL  61          1HG1      VAL  61  -6.492   0.129  -0.556
  423   3HG2  VAL  61          2HG1      VAL  61  -6.345   1.240  -1.931
  424    H    LYS  62           HN       LYS  62  -7.657   0.269  -4.447
  425    HA   LYS  62           HA       LYS  62  -9.459  -1.821  -4.149
  426   1HB   LYS  62          1HB       LYS  62 -10.007   0.582  -4.553
  427   2HB   LYS  62          2HB       LYS  62  -9.523   0.386  -6.239
  428   1HG   LYS  62          1HG       LYS  62 -11.873   0.303  -6.254
  429   2HG   LYS  62          2HG       LYS  62 -11.350  -1.354  -6.472
  430   1HD   LYS  62          1HD       LYS  62 -12.945  -1.740  -4.907
  431   2HD   LYS  62          2HD       LYS  62 -11.647  -1.411  -3.765
  432   1HE   LYS  62          1HE       LYS  62 -13.723   0.610  -4.769
  433   2HE   LYS  62          2HE       LYS  62 -13.774  -0.241  -3.219
  434   1HZ   LYS  62          2HZ       LYS  62 -11.645   1.609  -4.010
  435   2HZ   LYS  62          1HZ       LYS  62 -12.908   1.957  -3.008
  436   3HZ   LYS  62          3HZ       LYS  62 -11.805   0.826  -2.557
  437    H    LYS  63           HN       LYS  63  -7.124  -1.360  -6.806
  438    HA   LYS  63           HA       LYS  63  -8.424  -3.098  -8.649
  439   1HB   LYS  63          1HB       LYS  63  -5.951  -1.504  -8.431
  440   2HB   LYS  63          2HB       LYS  63  -5.665  -3.060  -9.152
  441   1HG   LYS  63          2HG       LYS  63  -6.166  -1.477 -10.887
  442   2HG   LYS  63          1HG       LYS  63  -7.522  -2.612 -10.789
  443   1HD   LYS  63          1HD       LYS  63  -8.763  -0.925  -9.362
  444   2HD   LYS  63          2HD       LYS  63  -7.407   0.190  -9.555
  445   1HE   LYS  63          2HE       LYS  63  -9.073  -0.969 -11.851
  446   2HE   LYS  63          1HE       LYS  63  -9.339   0.618 -11.125
  447   1HZ   LYS  63          1HZ       LYS  63  -7.117   1.227 -11.788
  448   2HZ   LYS  63          3HZ       LYS  63  -6.895  -0.242 -12.502
  449   3HZ   LYS  63          2HZ       LYS  63  -8.034   0.792 -13.087
  450    H    ALA  64           H        ALA  64  -6.684  -3.780  -5.713
  451    HA   ALA  64           HA       ALA  64  -5.818  -6.486  -6.593
  452   1HB   ALA  64          2HB       ALA  64  -5.150  -4.791  -4.158
  453   2HB   ALA  64          3HB       ALA  64  -4.494  -6.395  -4.499
  454   3HB   ALA  64          1HB       ALA  64  -4.125  -5.040  -5.580
  455    H    SER  65           H        SER  65  -6.560  -8.326  -5.499
  456    HA   SER  65           HA       SER  65  -9.176  -8.079  -4.136
  457   1HB   SER  65          1HB       SER  65  -9.131 -10.591  -4.526
  458   2HB   SER  65          2HB       SER  65  -9.058  -9.600  -5.996
  459    HG   SER  65           HG       SER  65  -7.455 -11.204  -6.070
  460    H    ASP  66           HN       ASP  66  -9.447  -9.747  -2.230
  461    HA   ASP  66           HA       ASP  66  -7.866  -8.963  -0.107
  462   1HB   ASP  66          1HB       ASP  66 -10.023 -10.077   0.184
  463   2HB   ASP  66          2HB       ASP  66  -9.334 -11.610  -0.382
  464    H    GLU  67           HN       GLU  67  -7.356 -11.917  -2.057
  465    HA   GLU  67           HA       GLU  67  -5.188 -13.013  -0.654
  466   1HB   GLU  67          2HB       GLU  67  -6.417 -14.070  -2.542
  467   2HB   GLU  67          1HB       GLU  67  -5.612 -12.989  -3.684
  468   1HG   GLU  67          2HG       GLU  67  -4.154 -14.933  -1.830
  469   2HG   GLU  67          1HG       GLU  67  -4.681 -15.343  -3.462
  470    H    GLU  68           HN       GLU  68  -5.156 -10.656  -3.331
  471    HA   GLU  68           HA       GLU  68  -2.372 -10.347  -3.482
  472   1HB   GLU  68          2HB       GLU  68  -4.759  -8.592  -4.223
  473   2HB   GLU  68          1HB       GLU  68  -3.098  -8.355  -4.661
  474   1HG   GLU  68          2HG       GLU  68  -4.759 -10.769  -5.496
  475   2HG   GLU  68          1HG       GLU  68  -4.582  -9.308  -6.477
  476    H    LEU  69           H        LEU  69  -4.947  -8.371  -1.804
  477    HA   LEU  69           HA       LEU  69  -3.296  -6.350  -0.860
  478   1HB   LEU  69          2HB       LEU  69  -5.862  -7.672   0.102
  479   2HB   LEU  69          1HB       LEU  69  -5.202  -6.225   0.806
  480    HG   LEU  69           HG       LEU  69  -5.869  -6.382  -2.153
  481   1HD1  LEU  69          1HD2      LEU  69  -7.644  -5.424   0.134
  482   2HD1  LEU  69          2HD2      LEU  69  -7.987  -5.214  -1.596
  483   3HD1  LEU  69          3HD2      LEU  69  -7.940  -6.836  -0.898
  484   1HD2  LEU  69          3HD1      LEU  69  -4.385  -4.464  -1.360
  485   2HD2  LEU  69          1HD1      LEU  69  -5.913  -4.013  -2.129
  486   3HD2  LEU  69          2HD1      LEU  69  -5.779  -3.931  -0.383
  487    H    LYS  70           HN       LYS  70  -4.209  -9.506   0.659
  488    HA   LYS  70           HA       LYS  70  -2.668  -9.137   3.046
  489   1HB   LYS  70          2HB       LYS  70  -3.463 -11.646   1.495
  490   2HB   LYS  70          1HB       LYS  70  -2.621 -11.694   3.051
  491   1HG   LYS  70          2HG       LYS  70  -4.446 -10.482   4.130
  492   2HG   LYS  70          1HG       LYS  70  -5.349 -10.435   2.601
  493   1HD   LYS  70          1HD       LYS  70  -4.591 -12.911   4.221
  494   2HD   LYS  70          2HD       LYS  70  -6.199 -12.183   4.057
  495   1HE   LYS  70          1HE       LYS  70  -5.989 -12.598   1.533
  496   2HE   LYS  70          2HE       LYS  70  -4.576 -13.607   1.904
  497   1HZ   LYS  70          1HZ       LYS  70  -6.014 -14.921   3.319
  498   2HZ   LYS  70          3HZ       LYS  70  -7.310 -13.990   2.890
  499   3HZ   LYS  70          2HZ       LYS  70  -6.542 -14.903   1.756
  500    H    ALA  71           H        ALA  71  -1.860 -10.650  -0.106
  501    HA   ALA  71           HA       ALA  71   0.799 -11.257   0.658
  502   1HB   ALA  71          3HB       ALA  71  -0.391 -12.296  -1.265
  503   2HB   ALA  71          1HB       ALA  71  -0.345 -10.739  -2.129
  504   3HB   ALA  71          2HB       ALA  71   1.166 -11.587  -1.737
  505    H    LEU  72           H        LEU  72  -0.539  -8.161  -0.705
  506    HA   LEU  72           HA       LEU  72   2.007  -7.044  -1.304
  507   1HB   LEU  72          1HB       LEU  72  -0.845  -6.138  -0.803
  508   2HB   LEU  72          2HB       LEU  72   0.440  -4.969  -0.791
  509    HG   LEU  72           HG       LEU  72   0.042  -6.805  -3.157
  510   1HD1  LEU  72          1HD2      LEU  72  -1.217  -4.129  -2.460
  511   2HD1  LEU  72          3HD2      LEU  72  -1.088  -4.704  -4.130
  512   3HD1  LEU  72          2HD2      LEU  72  -2.022  -5.631  -2.940
  513   1HD2  LEU  72          2HD1      LEU  72   1.545  -4.182  -2.687
  514   2HD2  LEU  72          1HD1      LEU  72   2.248  -5.746  -3.128
  515   3HD2  LEU  72          3HD1      LEU  72   1.256  -4.846  -4.280
  516    H    ALA  73           H        ALA  73  -0.221  -6.914   1.552
  517    HA   ALA  73           HA       ALA  73   1.466  -5.446   3.225
  518   1HB   ALA  73          3HB       ALA  73  -0.463  -7.697   3.965
  519   2HB   ALA  73          1HB       ALA  73   0.234  -6.535   5.096
  520   3HB   ALA  73          2HB       ALA  73  -0.847  -5.976   3.801
  521    H    ASP  74           HN       ASP  74   1.299  -9.075   3.050
  522    HA   ASP  74           HA       ASP  74   3.382  -9.615   4.812
  523   1HB   ASP  74          1HB       ASP  74   1.890 -11.327   3.837
  524   2HB   ASP  74          2HB       ASP  74   2.681 -11.129   2.262
  525    H    TYR  75           H        TYR  75   3.631  -9.021   1.267
  526    HA   TYR  75           HA       TYR  75   6.418  -9.393   1.056
  527   1HB   TYR  75          2HB       TYR  75   4.864  -9.311  -0.832
  528   2HB   TYR  75          1HB       TYR  75   4.544  -7.604  -0.544
  529    HD1  TYR  75           HD2      TYR  75   7.134 -10.072  -1.580
  530    HD2  TYR  75           HD1      TYR  75   6.061  -5.901  -1.359
  531    HE1  TYR  75           HE2      TYR  75   9.101  -9.492  -2.965
  532    HE2  TYR  75           HE1      TYR  75   8.033  -5.329  -2.752
  533    HH   TYR  75           HH       TYR  75  10.309  -7.792  -3.960
  534    H    MET  76           H        MET  76   4.596  -6.227   1.474
  535    HA   MET  76           HA       MET  76   6.910  -4.650   1.675
  536   1HB   MET  76          2HB       MET  76   3.954  -4.434   2.152
  537   2HB   MET  76          1HB       MET  76   4.981  -3.263   2.923
  538   1HG   MET  76          1HG       MET  76   5.961  -2.555   0.848
  539   2HG   MET  76          2HG       MET  76   5.261  -3.923  -0.023
  540   1HE   MET  76          2HE       MET  76   3.043  -4.171  -0.823
  541   2HE   MET  76          1HE       MET  76   2.157  -3.898   0.702
  542   3HE   MET  76          3HE       MET  76   1.739  -2.959  -0.754
  543    H    SER  77           H        SER  77   5.282  -6.633   4.170
  544    HA   SER  77           HA       SER  77   6.437  -5.390   6.419
  545   1HB   SER  77          2HB       SER  77   5.688  -8.299   5.926
  546   2HB   SER  77          1HB       SER  77   5.965  -7.506   7.467
  547    HG   SER  77           HG       SER  77   3.995  -6.726   5.590
  548    H    LYS  78           HN       LYS  78   7.939  -7.284   3.864
  549    HA   LYS  78           HA       LYS  78  10.320  -7.925   5.583
  550   1HB   LYS  78          2HB       LYS  78   9.163  -9.380   3.168
  551   2HB   LYS  78          1HB       LYS  78  10.591  -9.874   4.091
  552   1HG   LYS  78          2HG       LYS  78   9.237 -10.408   6.032
  553   2HG   LYS  78          1HG       LYS  78   7.791  -9.686   5.301
  554   1HD   LYS  78          2HD       LYS  78   7.808 -11.320   3.482
  555   2HD   LYS  78          1HD       LYS  78   9.232 -12.119   4.186
  556   1HE   LYS  78          2HE       LYS  78   7.940 -12.672   6.214
  557   2HE   LYS  78          1HE       LYS  78   6.547 -11.752   5.611
  558   1HZ   LYS  78          2HZ       LYS  78   7.662 -14.133   4.312
  559   2HZ   LYS  78          3HZ       LYS  78   6.304 -14.087   5.247
  560   3HZ   LYS  78          1HZ       LYS  78   6.341 -13.267   3.822
  561    H    LEU  79           H        LEU  79  10.047  -5.287   4.453
  562    HA   LEU  79           HA       LEU  79  11.856  -5.359   2.181
  563   1HB   LEU  79          1HB       LEU  79   9.223  -5.452   1.807
  564   2HB   LEU  79          2HB       LEU  79   9.224  -3.856   2.526
  565    HG   LEU  79           HG       LEU  79  10.604  -2.974   0.955
  566   1HD1  LEU  79          1HD1      LEU  79  10.663  -5.715  -0.408
  567   2HD1  LEU  79          3HD1      LEU  79  11.095  -4.227  -1.276
  568   3HD1  LEU  79          2HD1      LEU  79  12.062  -4.738   0.105
  569   1HD2  LEU  79          3HD2      LEU  79   8.162  -3.027   0.550
  570   2HD2  LEU  79          1HD2      LEU  79   8.968  -3.105  -1.028
  571   3HD2  LEU  79          2HD2      LEU  79   8.307  -4.580  -0.292
  572    HHA  HEC   1           HHA      HEM   1   1.474   4.963   3.050
  573    HHB  HEC   1           HHB      HEM   1  -0.120  -0.449   0.071
  574    HHC  HEC   1           HHC      HEM   1   0.839   2.632  -5.521
  575    HHD  HEC   1           HHD      HEM   1   0.619   8.160  -2.363
  576   1HMA  HEC   1          1HMA      HEM   1  -1.167  -0.281   2.294
  577   2HMA  HEC   1          2HMA      HEM   1  -0.389   0.088   3.836
  578   3HMA  HEC   1          3HMA      HEM   1   0.521  -0.804   2.587
  579   1HAA  HEC   1          1HAA      HEM   1   1.030   1.645   4.786
  580   2HAA  HEC   1          2HAA      HEM   1   1.768   3.184   4.389
  581   1HBA  HEC   1          1HBA      HEM   1  -1.108   2.556   5.105
  582   2HBA  HEC   1          2HBA      HEM   1  -0.762   3.980   4.156
  583   1HMB  HEC   1          1HMB      HEM   1  -1.269  -1.774  -2.833
  584   2HMB  HEC   1          2HMB      HEM   1  -0.153  -1.933  -1.474
  585   3HMB  HEC   1          3HMB      HEM   1   0.426  -2.223  -3.114
  586    HAB  HEC   1           HAB      HEM   1   0.549   0.628  -6.019
  587   1HBB  HEC   1          1HBB      HEM   1  -0.796  -1.907  -5.109
  588   2HBB  HEC   1          2HBB      HEM   1  -1.690  -0.421  -5.499
  589   3HBB  HEC   1          3HBB      HEM   1  -0.686  -1.220  -6.729
  590   1HMC  HEC   1          1HMC      HEM   1   1.006   5.965  -7.219
  591   2HMC  HEC   1          2HMC      HEM   1   0.211   4.412  -6.970
  592   3HMC  HEC   1          3HMC      HEM   1   1.988   4.527  -6.894
  593    HAC  HEC   1           HAC      HEM   1   1.799   8.455  -4.245
  594   1HBC  HEC   1          1HBC      HEM   1  -0.094   7.883  -6.550
  595   2HBC  HEC   1          2HBC      HEM   1   0.615   9.459  -6.171
  596   3HBC  HEC   1          3HBC      HEM   1  -0.513   8.692  -5.027
  597   1HMD  HEC   1          1HMD      HEM   1   0.834   9.797   0.093
  598   2HMD  HEC   1          2HMD      HEM   1  -0.641   9.317  -0.792
  599   3HMD  HEC   1          3HMD      HEM   1  -0.692   9.543   0.959
  600   1HAD  HEC   1          1HAD      HEM   1  -1.093   7.681   2.888
  601   2HAD  HEC   1          2HAD      HEM   1   0.361   8.663   2.928
  602   1HBD  HEC   1          1HBD      HEM   1  -0.066   5.954   4.235
  603   2HBD  HEC   1          2HBD      HEM   1   1.481   6.774   4.290
   
  No H/Q in entry =         603
  Start of MODEL    4
    1   1H    ALA   1          3H        ALA   1  -0.316 -10.281  -9.350
    2   2H    ALA   1          1H        ALA   1  -1.160 -11.336 -10.334
    3   3H    ALA   1          2H        ALA   1  -1.771 -10.817  -8.874
    4    HA   ALA   1           HA       ALA   1  -1.005 -12.980  -8.528
    5   1HB   ALA   1          3HB       ALA   1   0.617 -13.069 -10.406
    6   2HB   ALA   1          2HB       ALA   1   1.691 -11.958  -9.526
    7   3HB   ALA   1          1HB       ALA   1   1.355 -13.571  -8.875
    8    H    ASP   2           HN       ASP   2   0.265 -13.565  -6.595
    9    HA   ASP   2           HA       ASP   2  -0.269 -12.189  -4.415
   10   1HB   ASP   2          2HB       ASP   2   2.159 -13.956  -4.850
   11   2HB   ASP   2          1HB       ASP   2   1.472 -13.538  -3.279
   12    H    GLY   3           H        GLY   3   0.100  -9.899  -4.817
   13   1HA   GLY   3          2HA       GLY   3   0.932  -8.026  -3.837
   14   2HA   GLY   3          1HA       GLY   3   2.205  -8.985  -3.084
   15    H    ALA   4           H        ALA   4   3.742  -9.897  -4.823
   16    HA   ALA   4           HA       ALA   4   5.551  -7.895  -5.449
   17   1HB   ALA   4          2HB       ALA   4   6.112 -10.289  -5.391
   18   2HB   ALA   4          3HB       ALA   4   5.221 -10.556  -6.903
   19   3HB   ALA   4          1HB       ALA   4   6.680  -9.541  -6.897
   20    H    ALA   5           H        ALA   5   3.260  -9.369  -7.757
   21    HA   ALA   5           HA       ALA   5   4.023  -7.856 -10.025
   22   1HB   ALA   5          2HB       ALA   5   2.681  -9.892 -10.165
   23   2HB   ALA   5          3HB       ALA   5   1.333  -9.078  -9.327
   24   3HB   ALA   5          1HB       ALA   5   1.837  -8.539 -10.945
   25    H    LEU   6           H        LEU   6   1.645  -7.017  -7.370
   26    HA   LEU   6           HA       LEU   6   0.478  -4.835  -8.779
   27   1HB   LEU   6          2HB       LEU   6   0.595  -5.728  -5.854
   28   2HB   LEU   6          1HB       LEU   6  -0.345  -4.449  -6.506
   29    HG   LEU   6           HG       LEU   6  -0.981  -6.688  -8.145
   30   1HD1  LEU   6          3HD1      LEU   6   0.126  -8.072  -6.368
   31   2HD1  LEU   6          1HD1      LEU   6  -1.040  -7.448  -5.185
   32   3HD1  LEU   6          2HD1      LEU   6  -1.595  -8.424  -6.559
   33   1HD2  LEU   6          2HD2      LEU   6  -2.535  -5.569  -5.776
   34   2HD2  LEU   6          3HD2      LEU   6  -2.600  -4.957  -7.446
   35   3HD2  LEU   6          1HD2      LEU   6  -3.194  -6.586  -7.074
   36    H    TYR   7           H        TYR   7   2.831  -5.341  -6.164
   37    HA   TYR   7           HA       TYR   7   3.283  -2.810  -5.375
   38   1HB   TYR   7          1HB       TYR   7   4.246  -4.864  -4.331
   39   2HB   TYR   7          2HB       TYR   7   5.510  -4.851  -5.561
   40    HD1  TYR   7           HD2      TYR   7   3.873  -2.218  -3.382
   41    HD2  TYR   7           HD1      TYR   7   7.566  -4.017  -4.681
   42    HE1  TYR   7           HE2      TYR   7   5.131  -0.555  -2.077
   43    HE2  TYR   7           HE1      TYR   7   8.824  -2.411  -3.277
   44    HH   TYR   7           HH       TYR   7   8.670  -0.713  -1.707
   45    H    LYS   8           HN       LYS   8   4.769  -4.186  -8.331
   46    HA   LYS   8           HA       LYS   8   6.772  -2.456  -8.939
   47   1HB   LYS   8          1HB       LYS   8   4.555  -3.831 -10.518
   48   2HB   LYS   8          2HB       LYS   8   5.929  -3.032 -11.247
   49   1HG   LYS   8          2HG       LYS   8   7.516  -4.510 -10.162
   50   2HG   LYS   8          1HG       LYS   8   6.220  -5.311  -9.260
   51   1HD   LYS   8          1HD       LYS   8   5.154  -5.981 -11.429
   52   2HD   LYS   8          2HD       LYS   8   6.549  -5.318 -12.294
   53   1HE   LYS   8          2HE       LYS   8   6.626  -7.564 -10.212
   54   2HE   LYS   8          1HE       LYS   8   6.709  -7.782 -11.968
   55   1HZ   LYS   8          3HZ       LYS   8   8.736  -6.508 -11.966
   56   2HZ   LYS   8          1HZ       LYS   8   8.670  -6.342 -10.327
   57   3HZ   LYS   8          2HZ       LYS   8   8.865  -7.834 -10.996
   58    H    SER   9           H        SER   9   3.244  -1.912  -9.147
   59    HA   SER   9           HA       SER   9   3.416   0.557 -10.624
   60   1HB   SER   9          2HB       SER   9   1.121  -0.143  -8.776
   61   2HB   SER   9          1HB       SER   9   1.097   0.607 -10.378
   62    HG   SER   9           HG       SER   9   1.455  -2.108  -9.633
   63    H    CYS  10           H        CYS  10   3.067  -0.341  -7.217
   64    HA   CYS  10           HA       CYS  10   2.474   2.144  -6.050
   65   1HB   CYS  10          2HB       CYS  10   3.858  -0.118  -4.704
   66   2HB   CYS  10          1HB       CYS  10   2.778   1.037  -3.988
   67    H    ILE  11           H        ILE  11   5.448   0.356  -6.679
   68    HA   ILE  11           HA       ILE  11   7.321   1.791  -5.312
   69    HB   ILE  11           HB       ILE  11   7.412   0.472  -8.014
   70   1HG1  ILE  11          1HG1      ILE  11   8.541  -0.196  -5.250
   71   2HG1  ILE  11          2HG1      ILE  11   7.150  -0.947  -6.009
   72   1HG2  ILE  11          2HG2      ILE  11   9.833   1.680  -6.622
   73   2HG2  ILE  11          3HG2      ILE  11   9.888   0.596  -8.025
   74   3HG2  ILE  11          1HG2      ILE  11   9.160   2.174  -8.188
   75   1HD1  ILE  11          3HD1      ILE  11   8.722  -1.764  -7.854
   76   2HD1  ILE  11          1HD1      ILE  11  10.061  -1.260  -6.795
   77   3HD1  ILE  11          2HD1      ILE  11   8.924  -2.494  -6.249
   78    H    GLY  12           H        GLY  12   5.605   2.846  -8.250
   79   1HA   GLY  12          1HA       GLY  12   7.166   4.939  -9.177
   80   2HA   GLY  12          2HA       GLY  12   5.394   4.923  -9.147
   81    H    CYS  13           H        CYS  13   5.131   4.853  -6.210
   82    HA   CYS  13           HA       CYS  13   5.852   7.701  -5.596
   83   1HB   CYS  13          1HB       CYS  13   3.588   5.866  -4.916
   84   2HB   CYS  13          2HB       CYS  13   4.072   7.087  -3.762
   85    H    HIS  14           HN       HIS  14   5.833   4.325  -4.369
   86    HA   HIS  14           HA       HIS  14   6.881   5.084  -1.796
   87   1HB   HIS  14          1HB       HIS  14   6.121   2.536  -3.261
   88   2HB   HIS  14          2HB       HIS  14   6.976   2.485  -1.750
   89    HD1  HIS  14           HD1      HIS  14   5.754   4.099   0.233
   90    HD2  HIS  14           HD2      HIS  14   3.378   3.061  -3.048
   91    HE1  HIS  14           HE1      HIS  14   3.380   4.640   0.841
   92    H    GLY  15           H        GLY  15   8.452   4.226  -4.713
   93   1HA   GLY  15          2HA       GLY  15  10.685   4.248  -5.264
   94   2HA   GLY  15          1HA       GLY  15  10.993   4.969  -3.677
   95    H    ALA  16           H        ALA  16   9.737   1.743  -4.502
   96    HA   ALA  16           HA       ALA  16  10.470  -0.362  -4.119
   97   1HB   ALA  16          2HB       ALA  16  12.386   0.291  -5.493
   98   2HB   ALA  16          1HB       ALA  16  13.279   0.805  -4.049
   99   3HB   ALA  16          3HB       ALA  16  12.822  -0.892  -4.247
  100    H    ASP  17           HN       ASP  17  12.684   1.507  -1.993
  101    HA   ASP  17           HA       ASP  17  12.263  -0.424   0.186
  102   1HB   ASP  17          1HB       ASP  17  13.918   2.125   0.071
  103   2HB   ASP  17          2HB       ASP  17  13.966   0.903   1.350
  104    H    GLY  18           H        GLY  18   9.918   1.107  -0.627
  105   1HA   GLY  18          1HA       GLY  18   8.298   2.605   0.114
  106   2HA   GLY  18          2HA       GLY  18   8.404   1.419   1.409
  107    H    SER  19           H        SER  19  10.633   4.141   0.651
  108    HA   SER  19           HA       SER  19   9.917   5.385   3.285
  109   1HB   SER  19          1HB       SER  19  12.444   5.745   3.497
  110   2HB   SER  19          2HB       SER  19  11.814   4.109   3.770
  111    HG   SER  19           HG       SER  19  12.542   3.444   1.865
  112    H    LYS  20           HN       LYS  20  10.612   6.033  -0.100
  113    HA   LYS  20           HA       LYS  20  11.572   8.707   0.380
  114   1HB   LYS  20          2HB       LYS  20  11.137   9.158  -1.934
  115   2HB   LYS  20          1HB       LYS  20  11.907   7.566  -1.787
  116   1HG   LYS  20          1HG       LYS  20   9.835   6.459  -2.140
  117   2HG   LYS  20          2HG       LYS  20   8.900   7.943  -2.117
  118   1HD   LYS  20          2HD       LYS  20  11.099   7.367  -4.163
  119   2HD   LYS  20          1HD       LYS  20   9.398   6.969  -4.420
  120   1HE   LYS  20          2HE       LYS  20  10.525   9.781  -4.053
  121   2HE   LYS  20          1HE       LYS  20   9.902   9.041  -5.533
  122   1HZ   LYS  20          1HZ       LYS  20   7.776   8.784  -4.300
  123   2HZ   LYS  20          3HZ       LYS  20   8.385   9.783  -3.143
  124   3HZ   LYS  20          2HZ       LYS  20   8.207  10.337  -4.678
  125    H    ALA  21           H        ALA  21  10.393  10.716   0.212
  126    HA   ALA  21           HA       ALA  21   7.835  10.708   1.518
  127   1HB   ALA  21          2HB       ALA  21   9.209  12.890  -0.115
  128   2HB   ALA  21          1HB       ALA  21   7.807  13.112   0.952
  129   3HB   ALA  21          3HB       ALA  21   9.373  12.630   1.638
  130    H    ALA  22           H        ALA  22   5.852  10.382   0.621
  131    HA   ALA  22           HA       ALA  22   5.603  10.011  -2.325
  132   1HB   ALA  22          3HB       ALA  22   4.769   8.256  -0.791
  133   2HB   ALA  22          1HB       ALA  22   3.658   9.425  -0.052
  134   3HB   ALA  22          2HB       ALA  22   3.478   8.965  -1.766
  135    H    MET  23           H        MET  23   2.609  10.837  -1.520
  136    HA   MET  23           HA       MET  23   2.852  13.623  -2.373
  137   1HB   MET  23          2HB       MET  23   0.531  11.871  -1.472
  138   2HB   MET  23          1HB       MET  23   0.344  13.577  -1.927
  139   1HG   MET  23          1HG       MET  23   1.550  11.485  -3.766
  140   2HG   MET  23          2HG       MET  23  -0.155  11.957  -3.768
  141   1HE   MET  23          3HE       MET  23   0.129  12.325  -6.380
  142   2HE   MET  23          2HE       MET  23   1.252  13.505  -7.093
  143   3HE   MET  23          1HE       MET  23   1.889  12.029  -6.334
  144    H    GLY  24           H        GLY  24   4.445  13.938  -0.531
  145   1HA   GLY  24          1HA       GLY  24   4.754  15.460   1.242
  146   2HA   GLY  24          2HA       GLY  24   3.059  15.285   1.726
  147    H    SER  25           H        SER  25   3.871  14.951   3.936
  148    HA   SER  25           HA       SER  25   5.655  12.850   4.685
  149   1HB   SER  25          1HB       SER  25   4.542  13.389   6.955
  150   2HB   SER  25          2HB       SER  25   5.373  14.719   6.123
  151    HG   SER  25           HG       SER  25   2.593  14.152   5.922
  152    H    ALA  26           H        ALA  26   5.162  10.744   4.357
  153    HA   ALA  26           HA       ALA  26   2.409   9.727   4.938
  154   1HB   ALA  26          2HB       ALA  26   4.336   9.008   2.685
  155   2HB   ALA  26          1HB       ALA  26   2.875   8.096   3.085
  156   3HB   ALA  26          3HB       ALA  26   2.743   9.779   2.526
  157    H    LYS  27           HN       LYS  27   2.453   8.106   6.503
  158    HA   LYS  27           HA       LYS  27   4.525   7.320   7.987
  159   1HB   LYS  27          2HB       LYS  27   1.841   6.826   7.823
  160   2HB   LYS  27          1HB       LYS  27   2.454   5.224   7.407
  161   1HG   LYS  27          1HG       LYS  27   3.987   5.569   9.417
  162   2HG   LYS  27          2HG       LYS  27   2.973   6.957   9.842
  163   1HD   LYS  27          1HD       LYS  27   1.951   4.076   9.497
  164   2HD   LYS  27          2HD       LYS  27   2.441   4.777  11.034
  165   1HE   LYS  27          2HE       LYS  27   0.100   4.927  11.019
  166   2HE   LYS  27          1HE       LYS  27   0.667   6.579  10.735
  167   1HZ   LYS  27          1HZ       LYS  27  -0.213   4.707   8.639
  168   2HZ   LYS  27          3HZ       LYS  27  -1.181   5.852   9.326
  169   3HZ   LYS  27          2HZ       LYS  27   0.119   6.304   8.436
  170    HA   PRO  28           HA       PRO  28   6.927   5.356   4.714
  171   1HB   PRO  28          1HB       PRO  28   8.497   4.382   7.124
  172   2HB   PRO  28          2HB       PRO  28   9.122   4.952   5.551
  173   1HG   PRO  28          1HG       PRO  28   9.072   6.653   7.651
  174   2HG   PRO  28          2HG       PRO  28   8.463   7.220   6.065
  175   1HD   PRO  28          2HD       PRO  28   6.847   6.222   8.427
  176   2HD   PRO  28          1HD       PRO  28   6.599   7.664   7.397
  177    H    VAL  29           H        VAL  29   6.073   3.680   3.713
  178    HA   VAL  29           HA       VAL  29   4.806   1.382   4.630
  179    HB   VAL  29           HB       VAL  29   6.359   2.177   2.180
  180   1HG1  VAL  29          1HG1      VAL  29   5.272  -0.629   2.568
  181   2HG1  VAL  29          2HG1      VAL  29   5.820   0.087   1.026
  182   3HG1  VAL  29          3HG1      VAL  29   6.977  -0.205   2.314
  183   1HG2  VAL  29          1HG2      VAL  29   3.989   2.882   2.522
  184   2HG2  VAL  29          2HG2      VAL  29   4.118   1.775   1.131
  185   3HG2  VAL  29          3HG2      VAL  29   3.512   1.176   2.676
  186    H    LYS  30           HN       LYS  30   8.215   1.948   4.082
  187    HA   LYS  30           HA       LYS  30   9.603  -0.299   4.191
  188   1HB   LYS  30          1HB       LYS  30  10.550   1.917   4.170
  189   2HB   LYS  30          2HB       LYS  30   9.939   2.244   5.784
  190   1HG   LYS  30          1HG       LYS  30  12.339   1.890   5.867
  191   2HG   LYS  30          2HG       LYS  30  11.567   0.537   6.689
  192   1HD   LYS  30          2HD       LYS  30  11.807  -0.806   4.537
  193   2HD   LYS  30          1HD       LYS  30  12.667   0.572   3.835
  194   1HE   LYS  30          2HE       LYS  30  14.281  -1.031   4.600
  195   2HE   LYS  30          1HE       LYS  30  14.369   0.349   5.712
  196   1HZ   LYS  30          3HZ       LYS  30  12.896  -2.165   6.141
  197   2HZ   LYS  30          2HZ       LYS  30  14.352  -1.795   6.815
  198   3HZ   LYS  30          1HZ       LYS  30  13.007  -0.934   7.236
  199    H    GLY  31           H        GLY  31   8.450  -1.981   5.182
  200   1HA   GLY  31          1HA       GLY  31   7.815  -3.435   6.794
  201   2HA   GLY  31          2HA       GLY  31   9.299  -2.917   7.579
  202    H    GLN  32           H        GLN  32   6.155  -1.200   7.140
  203    HA   GLN  32           HA       GLN  32   5.985  -0.196   9.777
  204   1HB   GLN  32          1HB       GLN  32   3.445  -1.277   8.573
  205   2HB   GLN  32          2HB       GLN  32   3.632   0.103   9.617
  206   1HG   GLN  32          1HG       GLN  32   4.716   0.174   6.790
  207   2HG   GLN  32          2HG       GLN  32   3.000   0.222   7.075
  208   1HE2  GLN  32          1HE2      GLN  32   3.467   3.681   6.624
  209   2HE2  GLN  32          2HE2      GLN  32   3.278   2.151   5.835
  210    H    GLY  33           H        GLY  33   4.630  -3.012   8.514
  211   1HA   GLY  33          1HA       GLY  33   5.434  -5.192   9.868
  212   2HA   GLY  33          2HA       GLY  33   4.082  -4.664  10.897
  213    H    ALA  34           H        ALA  34   4.063  -7.034   9.267
  214    HA   ALA  34           HA       ALA  34   2.589  -6.616   6.863
  215   1HB   ALA  34          2HB       ALA  34   3.740  -8.707   7.466
  216   2HB   ALA  34          3HB       ALA  34   2.581  -8.961   8.794
  217   3HB   ALA  34          1HB       ALA  34   2.018  -8.981   7.097
  218    H    GLU  35           HN       GLU  35   1.543  -7.070  10.226
  219    HA   GLU  35           HA       GLU  35  -1.257  -7.150   9.732
  220   1HB   GLU  35          1HB       GLU  35  -1.294  -6.219  12.156
  221   2HB   GLU  35          2HB       GLU  35  -0.740  -7.869  11.856
  222   1HG   GLU  35          2HG       GLU  35   1.578  -7.239  12.186
  223   2HG   GLU  35          1HG       GLU  35   1.166  -5.514  12.242
  224    H    GLU  36           HN       GLU  36   0.899  -4.363  10.627
  225    HA   GLU  36           HA       GLU  36  -0.958  -2.314  10.678
  226   1HB   GLU  36          2HB       GLU  36   2.020  -2.698  10.038
  227   2HB   GLU  36          1HB       GLU  36   1.265  -1.144  10.007
  228   1HG   GLU  36          2HG       GLU  36   1.287  -2.971  12.440
  229   2HG   GLU  36          1HG       GLU  36   2.433  -1.664  12.104
  230    H    LEU  37           H        LEU  37   1.222  -3.431   8.081
  231    HA   LEU  37           HA       LEU  37   0.300  -1.684   6.060
  232   1HB   LEU  37          1HB       LEU  37   1.531  -4.462   5.988
  233   2HB   LEU  37          2HB       LEU  37   1.170  -3.572   4.515
  234    HG   LEU  37           HG       LEU  37   2.910  -2.296   6.652
  235   1HD1  LEU  37          3HD2      LEU  37   3.765  -4.121   4.381
  236   2HD1  LEU  37          1HD2      LEU  37   4.862  -3.129   5.371
  237   3HD1  LEU  37          2HD2      LEU  37   3.951  -4.458   6.107
  238   1HD2  LEU  37          2HD1      LEU  37   2.702  -1.944   3.632
  239   2HD2  LEU  37          3HD1      LEU  37   2.037  -0.847   4.863
  240   3HD2  LEU  37          1HD1      LEU  37   3.786  -1.058   4.720
  241    H    TYR  38           HN       TYR  38  -0.626  -5.182   6.388
  242    HA   TYR  38           HA       TYR  38  -2.667  -5.278   4.670
  243   1HB   TYR  38          2HB       TYR  38  -1.912  -7.237   5.868
  244   2HB   TYR  38          1HB       TYR  38  -2.640  -6.635   7.358
  245    HD1  TYR  38           HE2      TYR  38  -3.633  -7.232   3.749
  246    HD2  TYR  38           HD1      TYR  38  -4.813  -7.413   7.894
  247    HE1  TYR  38           HE1      TYR  38  -5.883  -7.998   3.074
  248    HE2  TYR  38           HD2      TYR  38  -7.054  -8.220   7.209
  249    HH   TYR  38           HH       TYR  38  -7.929  -8.909   3.823
  250    H    LYS  39           HN       LYS  39  -3.066  -4.171   8.040
  251    HA   LYS  39           HA       LYS  39  -5.856  -3.703   7.923
  252   1HB   LYS  39          1HB       LYS  39  -3.612  -2.303   9.443
  253   2HB   LYS  39          2HB       LYS  39  -5.310  -1.881   9.675
  254   1HG   LYS  39          1HG       LYS  39  -5.842  -3.953  10.658
  255   2HG   LYS  39          2HG       LYS  39  -4.436  -4.763   9.962
  256   1HD   LYS  39          1HD       LYS  39  -4.131  -4.416  12.374
  257   2HD   LYS  39          2HD       LYS  39  -2.907  -3.566  11.425
  258   1HE   LYS  39          1HE       LYS  39  -4.164  -1.426  11.715
  259   2HE   LYS  39          2HE       LYS  39  -5.368  -2.289  12.692
  260   1HZ   LYS  39          2HZ       LYS  39  -3.593  -2.827  14.222
  261   2HZ   LYS  39          3HZ       LYS  39  -2.502  -1.992  13.309
  262   3HZ   LYS  39          1HZ       LYS  39  -3.747  -1.198  14.038
  263    H    LYS  40           HN       LYS  40  -3.148  -1.446   6.947
  264    HA   LYS  40           HA       LYS  40  -5.044   0.596   6.247
  265   1HB   LYS  40          1HB       LYS  40  -2.054   0.181   6.013
  266   2HB   LYS  40          2HB       LYS  40  -2.911   1.431   5.134
  267   1HG   LYS  40          2HG       LYS  40  -2.283   2.575   7.057
  268   2HG   LYS  40          1HG       LYS  40  -3.952   2.143   7.414
  269   1HD   LYS  40          2HD       LYS  40  -3.157   0.215   8.773
  270   2HD   LYS  40          1HD       LYS  40  -1.484   0.628   8.349
  271   1HE   LYS  40          1HE       LYS  40  -1.737   2.837   9.442
  272   2HE   LYS  40          2HE       LYS  40  -3.395   2.408   9.913
  273   1HZ   LYS  40          2HZ       LYS  40  -2.472   0.574  11.159
  274   2HZ   LYS  40          1HZ       LYS  40  -0.940   1.008  10.735
  275   3HZ   LYS  40          3HZ       LYS  40  -1.847   2.010  11.671
  276    H    MET  41           H        MET  41  -3.145  -1.827   4.216
  277    HA   MET  41           HA       MET  41  -4.356  -0.724   1.834
  278   1HB   MET  41          1HB       MET  41  -3.927  -2.954   0.725
  279   2HB   MET  41          2HB       MET  41  -2.594  -1.920   1.166
  280   1HG   MET  41          2HG       MET  41  -3.336  -4.024   3.114
  281   2HG   MET  41          1HG       MET  41  -2.544  -4.632   1.655
  282   1HE   MET  41          3HE       MET  41  -0.250  -4.191   0.786
  283   2HE   MET  41          1HE       MET  41  -0.439  -2.422   0.744
  284   3HE   MET  41          2HE       MET  41   0.937  -3.156   1.610
  285    H    LYS  42           HN       LYS  42  -5.572  -3.079   4.226
  286    HA   LYS  42           HA       LYS  42  -7.859  -3.831   2.669
  287   1HB   LYS  42          2HB       LYS  42  -6.951  -5.094   4.577
  288   2HB   LYS  42          1HB       LYS  42  -7.487  -3.841   5.702
  289   1HG   LYS  42          2HG       LYS  42  -9.405  -5.271   3.807
  290   2HG   LYS  42          1HG       LYS  42  -8.875  -5.998   5.327
  291   1HD   LYS  42          2HD       LYS  42  -9.774  -4.082   6.613
  292   2HD   LYS  42          1HD       LYS  42 -10.322  -3.312   5.120
  293   1HE   LYS  42          1HE       LYS  42 -12.193  -4.422   6.165
  294   2HE   LYS  42          2HE       LYS  42 -11.810  -5.220   4.632
  295   1HZ   LYS  42          1HZ       LYS  42 -10.996  -6.160   7.297
  296   2HZ   LYS  42          2HZ       LYS  42 -12.236  -6.770   6.400
  297   3HZ   LYS  42          3HZ       LYS  42 -10.686  -6.924   5.869
  298    H    GLY  43           H        GLY  43  -7.278  -1.309   5.201
  299   1HA   GLY  43          2HA       GLY  43  -9.781  -0.105   5.328
  300   2HA   GLY  43          1HA       GLY  43  -8.230   0.710   5.536
  301    H    TYR  44           H        TYR  44  -7.057   0.717   3.160
  302    HA   TYR  44           HA       TYR  44  -8.369   2.699   1.600
  303   1HB   TYR  44          1HB       TYR  44  -6.089   0.801   0.969
  304   2HB   TYR  44          2HB       TYR  44  -6.561   2.160  -0.070
  305    HD1  TYR  44           HD2      TYR  44  -6.891   4.322   2.031
  306    HD2  TYR  44           HD1      TYR  44  -3.798   1.483   1.132
  307    HE1  TYR  44           HE2      TYR  44  -5.250   5.742   3.216
  308    HE2  TYR  44           HE1      TYR  44  -2.122   3.053   2.075
  309    HH   TYR  44           HH       TYR  44  -1.772   4.890   3.341
  310    H    ALA  45           H        ALA  45  -7.862  -0.820   0.843
  311    HA   ALA  45           HA       ALA  45  -9.333  -0.821  -1.561
  312   1HB   ALA  45          2HB       ALA  45  -7.858  -2.655  -0.840
  313   2HB   ALA  45          3HB       ALA  45  -8.997  -3.074   0.459
  314   3HB   ALA  45          1HB       ALA  45  -9.481  -3.247  -1.242
  315    H    ASP  46           HN       ASP  46 -10.474  -1.257   1.773
  316    HA   ASP  46           HA       ASP  46 -13.210  -1.875   1.130
  317   1HB   ASP  46          2HB       ASP  46 -12.308  -2.477   3.279
  318   2HB   ASP  46          1HB       ASP  46 -11.784  -0.819   3.601
  319    H    GLY  47           H        GLY  47 -11.383   1.125   1.755
  320   1HA   GLY  47          1HA       GLY  47 -11.862   3.210   0.836
  321   2HA   GLY  47          2HA       GLY  47 -13.545   2.752   0.539
  322    H    SER  48           H        SER  48 -11.793   2.213   3.601
  323    HA   SER  48           HA       SER  48 -13.635   4.130   5.012
  324   1HB   SER  48          1HB       SER  48 -12.650   2.840   7.038
  325   2HB   SER  48          2HB       SER  48 -13.872   2.034   6.041
  326    HG   SER  48           HG       SER  48 -12.420   0.749   5.193
  327    H    TYR  49           H        TYR  49 -10.388   2.794   5.487
  328    HA   TYR  49           HA       TYR  49  -9.277   5.322   6.392
  329   1HB   TYR  49          1HB       TYR  49  -8.377   2.999   6.949
  330   2HB   TYR  49          2HB       TYR  49  -7.805   2.890   5.288
  331    HD1  TYR  49           HD2      TYR  49  -7.669   5.324   8.182
  332    HD2  TYR  49           HD1      TYR  49  -5.482   3.286   5.077
  333    HE1  TYR  49           HE2      TYR  49  -5.587   6.448   8.906
  334    HE2  TYR  49           HE1      TYR  49  -3.409   4.445   5.785
  335    HH   TYR  49           HH       TYR  49  -2.497   6.164   7.158
  336    H    GLY  50           H        GLY  50  -8.362   7.003   5.059
  337   1HA   GLY  50          1HA       GLY  50  -7.308   6.681   2.480
  338   2HA   GLY  50          2HA       GLY  50  -9.046   6.969   2.299
  339    H    GLY  51           H        GLY  51  -7.934   8.917   1.170
  340   1HA   GLY  51          1HA       GLY  51  -8.535  11.290   2.502
  341   2HA   GLY  51          2HA       GLY  51  -6.771  11.048   2.619
  342    H    GLU  52           HN       GLU  52  -7.895  13.148   1.020
  343    HA   GLU  52           HA       GLU  52  -8.454  12.631  -1.635
  344   1HB   GLU  52          1HB       GLU  52  -6.809  14.936  -0.490
  345   2HB   GLU  52          2HB       GLU  52  -7.513  14.882  -2.113
  346   1HG   GLU  52          2HG       GLU  52  -9.784  14.678  -1.146
  347   2HG   GLU  52          1HG       GLU  52  -9.112  14.762   0.490
  348    H    ARG  53           HN       ARG  53  -5.161  13.252  -0.346
  349    HA   ARG  53           HA       ARG  53  -3.751  12.803  -2.730
  350   1HB   ARG  53          2HB       ARG  53  -1.804  12.606  -1.383
  351   2HB   ARG  53          1HB       ARG  53  -2.841  13.838  -0.660
  352   1HG   ARG  53          1HG       ARG  53  -3.586  12.117   1.061
  353   2HG   ARG  53          2HG       ARG  53  -2.470  10.953   0.315
  354   1HD   ARG  53          2HD       ARG  53  -0.579  12.374   0.717
  355   2HD   ARG  53          1HD       ARG  53  -1.593  13.633   1.454
  356    HE   ARG  53           HE       ARG  53  -2.142  11.376   2.948
  357   1HH1  ARG  53          1HH2      ARG  53   0.827  13.151   2.061
  358   2HH1  ARG  53          2HH2      ARG  53   1.623  12.741   3.571
  359   1HH2  ARG  53          2HH1      ARG  53  -0.933  10.788   4.893
  360   2HH2  ARG  53          1HH1      ARG  53   0.688  11.432   5.083
  361    H    LYS  54           HN       LYS  54  -5.335  10.467  -0.713
  362    HA   LYS  54           HA       LYS  54  -3.630   8.194  -1.508
  363   1HB   LYS  54          1HB       LYS  54  -6.044   8.233   0.310
  364   2HB   LYS  54          2HB       LYS  54  -4.786   7.020   0.166
  365   1HG   LYS  54          2HG       LYS  54  -3.113   8.866   0.846
  366   2HG   LYS  54          1HG       LYS  54  -4.537   9.851   1.288
  367   1HD   LYS  54          1HD       LYS  54  -5.246   7.973   2.807
  368   2HD   LYS  54          2HD       LYS  54  -3.719   7.166   2.365
  369   1HE   LYS  54          1HE       LYS  54  -2.478   9.149   3.281
  370   2HE   LYS  54          2HE       LYS  54  -4.023   9.789   3.873
  371   1HZ   LYS  54          3HZ       LYS  54  -2.912   7.159   4.583
  372   2HZ   LYS  54          2HZ       LYS  54  -2.808   8.502   5.530
  373   3HZ   LYS  54          1HZ       LYS  54  -4.280   7.840   5.197
  374    H    ALA  55           H        ALA  55  -6.238   9.910  -2.895
  375    HA   ALA  55           HA       ALA  55  -8.104   7.982  -3.537
  376   1HB   ALA  55          1HB       ALA  55  -8.377  10.355  -4.038
  377   2HB   ALA  55          3HB       ALA  55  -7.113  10.271  -5.285
  378   3HB   ALA  55          2HB       ALA  55  -8.641   9.389  -5.502
  379    H    MET  56           H        MET  56  -5.175   8.697  -5.519
  380    HA   MET  56           HA       MET  56  -5.703   6.834  -7.567
  381   1HB   MET  56          1HB       MET  56  -3.995   8.631  -7.610
  382   2HB   MET  56          2HB       MET  56  -2.982   7.721  -6.482
  383   1HG   MET  56          2HG       MET  56  -3.883   6.687  -9.205
  384   2HG   MET  56          1HG       MET  56  -2.375   7.562  -8.927
  385   1HE   MET  56          3HE       MET  56  -1.127   5.625 -10.215
  386   2HE   MET  56          1HE       MET  56  -1.201   3.917  -9.719
  387   3HE   MET  56          2HE       MET  56  -2.651   4.711 -10.380
  388    H    MET  57           H        MET  57  -3.660   6.453  -4.676
  389    HA   MET  57           HA       MET  57  -2.999   3.746  -4.875
  390   1HB   MET  57          2HB       MET  57  -1.931   5.237  -3.321
  391   2HB   MET  57          1HB       MET  57  -3.454   5.565  -2.483
  392   1HG   MET  57          2HG       MET  57  -3.561   3.318  -1.613
  393   2HG   MET  57          1HG       MET  57  -2.192   2.802  -2.600
  394   1HE   MET  57          2HE       MET  57  -3.332   5.381   0.082
  395   2HE   MET  57          3HE       MET  57  -1.836   5.775   0.958
  396   3HE   MET  57          1HE       MET  57  -2.076   6.391  -0.690
  397    H    THR  58           H        THR  58  -5.856   5.272  -3.340
  398    HA   THR  58           HA       THR  58  -7.084   2.958  -2.295
  399    HB   THR  58           HB       THR  58  -8.368   5.516  -3.328
  400    HG1  THR  58           HG1      THR  58  -6.851   5.780  -1.646
  401   1HG2  THR  58          1HG2      THR  58  -9.456   3.390  -1.470
  402   2HG2  THR  58          3HG2      THR  58 -10.212   4.955  -1.807
  403   3HG2  THR  58          2HG2      THR  58 -10.069   3.747  -3.098
  404    H    ASN  59           H        ASN  59  -7.544   4.554  -5.526
  405    HA   ASN  59           HA       ASN  59  -9.340   2.566  -6.485
  406   1HB   ASN  59          1HB       ASN  59  -8.835   4.845  -7.499
  407   2HB   ASN  59          2HB       ASN  59  -7.399   4.120  -8.229
  408   1HD2  ASN  59          1HD2      ASN  59 -10.132   1.888  -9.970
  409   2HD2  ASN  59          2HD2      ASN  59  -9.168   1.403  -8.589
  410    H    ALA  60           H        ALA  60  -5.740   2.759  -6.561
  411    HA   ALA  60           HA       ALA  60  -5.340   0.496  -8.229
  412   1HB   ALA  60          1HB       ALA  60  -3.559   2.107  -7.632
  413   2HB   ALA  60          2HB       ALA  60  -3.528   1.458  -5.978
  414   3HB   ALA  60          3HB       ALA  60  -3.092   0.418  -7.344
  415    H    VAL  61           H        VAL  61  -5.359   0.643  -4.592
  416    HA   VAL  61           HA       VAL  61  -5.213  -2.222  -4.389
  417    HB   VAL  61           HB       VAL  61  -5.835  -1.955  -2.053
  418   1HG1  VAL  61          2HG2      VAL  61  -3.510  -1.757  -2.730
  419   2HG1  VAL  61          1HG2      VAL  61  -3.696  -0.007  -2.992
  420   3HG1  VAL  61          3HG2      VAL  61  -3.854  -0.688  -1.359
  421   1HG2  VAL  61          1HG1      VAL  61  -7.380   0.054  -2.369
  422   2HG2  VAL  61          2HG1      VAL  61  -6.275   0.020  -0.997
  423   3HG2  VAL  61          3HG1      VAL  61  -5.897   1.031  -2.392
  424    H    LYS  62           HN       LYS  62  -8.008  -0.030  -4.763
  425    HA   LYS  62           HA       LYS  62 -10.048  -1.820  -4.070
  426   1HB   LYS  62          2HB       LYS  62 -10.250   0.645  -4.763
  427   2HB   LYS  62          1HB       LYS  62 -10.099   0.096  -6.427
  428   1HG   LYS  62          1HG       LYS  62 -12.387   0.404  -6.095
  429   2HG   LYS  62          2HG       LYS  62 -12.148  -1.339  -6.083
  430   1HD   LYS  62          1HD       LYS  62 -13.717  -0.746  -4.365
  431   2HD   LYS  62          2HD       LYS  62 -12.247  -1.300  -3.567
  432   1HE   LYS  62          1HE       LYS  62 -11.608   1.018  -3.045
  433   2HE   LYS  62          2HE       LYS  62 -12.940   1.647  -4.041
  434   1HZ   LYS  62          1HZ       LYS  62 -14.456   0.618  -2.494
  435   2HZ   LYS  62          2HZ       LYS  62 -13.191   0.047  -1.600
  436   3HZ   LYS  62          3HZ       LYS  62 -13.448   1.669  -1.718
  437    H    LYS  63           HN       LYS  63  -7.907  -1.802  -6.949
  438    HA   LYS  63           HA       LYS  63  -9.550  -3.667  -8.423
  439   1HB   LYS  63          1HB       LYS  63  -7.200  -1.946  -8.865
  440   2HB   LYS  63          2HB       LYS  63  -6.965  -3.552  -9.495
  441   1HG   LYS  63          2HG       LYS  63  -7.914  -2.191 -11.218
  442   2HG   LYS  63          1HG       LYS  63  -9.171  -3.336 -10.721
  443   1HD   LYS  63          1HD       LYS  63 -10.142  -1.544  -9.223
  444   2HD   LYS  63          2HD       LYS  63  -8.889  -0.434  -9.788
  445   1HE   LYS  63          1HE       LYS  63 -10.989  -1.780 -11.563
  446   2HE   LYS  63          2HE       LYS  63 -11.101  -0.130 -10.937
  447   1HZ   LYS  63          2HZ       LYS  63  -9.085   0.392 -12.124
  448   2HZ   LYS  63          3HZ       LYS  63  -9.014  -1.136 -12.738
  449   3HZ   LYS  63          1HZ       LYS  63 -10.262  -0.143 -13.146
  450    H    ALA  64           H        ALA  64  -7.455  -4.052  -5.734
  451    HA   ALA  64           HA       ALA  64  -6.300  -6.636  -6.614
  452   1HB   ALA  64          1HB       ALA  64  -4.859  -4.860  -5.607
  453   2HB   ALA  64          3HB       ALA  64  -5.815  -4.966  -4.118
  454   3HB   ALA  64          2HB       ALA  64  -4.874  -6.360  -4.662
  455    H    SER  65           H        SER  65  -6.778  -8.559  -5.481
  456    HA   SER  65           HA       SER  65  -9.358  -8.541  -4.014
  457   1HB   SER  65          1HB       SER  65  -9.385 -10.907  -4.349
  458   2HB   SER  65          2HB       SER  65  -8.967 -10.153  -5.893
  459    HG   SER  65           HG       SER  65  -7.617 -11.977  -4.550
  460    H    ASP  66           HN       ASP  66  -9.404 -10.138  -2.066
  461    HA   ASP  66           HA       ASP  66  -7.828  -9.111  -0.017
  462   1HB   ASP  66          2HB       ASP  66  -9.946 -10.319   0.329
  463   2HB   ASP  66          1HB       ASP  66  -9.156 -11.843  -0.126
  464    H    GLU  67           HN       GLU  67  -7.130 -12.017  -2.044
  465    HA   GLU  67           HA       GLU  67  -4.978 -13.021  -0.575
  466   1HB   GLU  67          1HB       GLU  67  -5.670 -13.092  -3.571
  467   2HB   GLU  67          2HB       GLU  67  -4.547 -14.097  -2.701
  468   1HG   GLU  67          1HG       GLU  67  -6.435 -15.459  -2.929
  469   2HG   GLU  67          2HG       GLU  67  -6.449 -14.933  -1.243
  470    H    GLU  68           HN       GLU  68  -5.213 -10.812  -3.339
  471    HA   GLU  68           HA       GLU  68  -2.433 -10.328  -3.712
  472   1HB   GLU  68          1HB       GLU  68  -4.833  -8.566  -4.277
  473   2HB   GLU  68          2HB       GLU  68  -3.256  -8.323  -4.975
  474   1HG   GLU  68          2HG       GLU  68  -5.058 -10.738  -5.462
  475   2HG   GLU  68          1HG       GLU  68  -4.875  -9.359  -6.532
  476    H    LEU  69           H        LEU  69  -4.978  -8.500  -1.789
  477    HA   LEU  69           HA       LEU  69  -3.316  -6.489  -0.887
  478   1HB   LEU  69          2HB       LEU  69  -5.812  -7.880   0.155
  479   2HB   LEU  69          1HB       LEU  69  -5.138  -6.453   0.888
  480    HG   LEU  69           HG       LEU  69  -5.908  -6.505  -2.052
  481   1HD1  LEU  69          3HD2      LEU  69  -7.618  -5.631   0.315
  482   2HD1  LEU  69          1HD2      LEU  69  -8.006  -5.382  -1.402
  483   3HD1  LEU  69          2HD2      LEU  69  -7.935  -7.017  -0.749
  484   1HD2  LEU  69          1HD1      LEU  69  -4.410  -4.629  -1.332
  485   2HD2  LEU  69          3HD1      LEU  69  -6.022  -4.116  -1.839
  486   3HD2  LEU  69          2HD1      LEU  69  -5.631  -4.189  -0.111
  487    H    LYS  70           HN       LYS  70  -4.112  -9.639   0.768
  488    HA   LYS  70           HA       LYS  70  -2.448  -9.189   3.026
  489   1HB   LYS  70          1HB       LYS  70  -3.326 -11.719   1.567
  490   2HB   LYS  70          2HB       LYS  70  -2.395 -11.740   3.079
  491   1HG   LYS  70          1HG       LYS  70  -4.096 -10.471   4.241
  492   2HG   LYS  70          2HG       LYS  70  -5.040 -10.272   2.750
  493   1HD   LYS  70          2HD       LYS  70  -5.483 -12.647   2.611
  494   2HD   LYS  70          1HD       LYS  70  -4.422 -12.981   4.005
  495   1HE   LYS  70          1HE       LYS  70  -5.833 -11.622   5.463
  496   2HE   LYS  70          2HE       LYS  70  -6.830 -11.121   4.093
  497   1HZ   LYS  70          3HZ       LYS  70  -6.595 -13.894   5.035
  498   2HZ   LYS  70          1HZ       LYS  70  -7.851 -12.876   5.368
  499   3HZ   LYS  70          2HZ       LYS  70  -7.561 -13.335   3.813
  500    H    ALA  71           H        ALA  71  -1.717 -10.689  -0.161
  501    HA   ALA  71           HA       ALA  71   0.997 -11.249   0.526
  502   1HB   ALA  71          3HB       ALA  71  -0.253 -12.367  -1.291
  503   2HB   ALA  71          2HB       ALA  71  -0.326 -10.836  -2.188
  504   3HB   ALA  71          1HB       ALA  71   1.249 -11.620  -1.886
  505    H    LEU  72           H        LEU  72  -0.557  -8.289  -0.733
  506    HA   LEU  72           HA       LEU  72   1.853  -7.038  -1.614
  507   1HB   LEU  72          1HB       LEU  72  -0.620  -6.637  -2.116
  508   2HB   LEU  72          2HB       LEU  72  -0.762  -5.748  -0.648
  509    HG   LEU  72           HG       LEU  72   0.433  -3.929  -1.512
  510   1HD1  LEU  72          3HD1      LEU  72   1.579  -5.735  -3.670
  511   2HD1  LEU  72          1HD1      LEU  72   1.797  -3.980  -3.600
  512   3HD1  LEU  72          2HD1      LEU  72   2.487  -4.998  -2.331
  513   1HD2  LEU  72          1HD2      LEU  72  -0.995  -5.278  -3.846
  514   2HD2  LEU  72          3HD2      LEU  72  -1.710  -4.184  -2.643
  515   3HD2  LEU  72          2HD2      LEU  72  -0.528  -3.583  -3.828
  516    H    ALA  73           H        ALA  73  -0.175  -6.870   1.260
  517    HA   ALA  73           HA       ALA  73   1.433  -5.290   2.946
  518   1HB   ALA  73          1HB       ALA  73  -0.863  -6.148   3.501
  519   2HB   ALA  73          2HB       ALA  73  -0.170  -7.737   3.834
  520   3HB   ALA  73          3HB       ALA  73   0.318  -6.353   4.815
  521    H    ASP  74           HN       ASP  74   1.485  -8.912   2.744
  522    HA   ASP  74           HA       ASP  74   3.689  -9.354   4.368
  523   1HB   ASP  74          1HB       ASP  74   2.219 -11.127   3.480
  524   2HB   ASP  74          2HB       ASP  74   2.901 -10.887   1.860
  525    H    TYR  75           H        TYR  75   3.711  -8.666   0.815
  526    HA   TYR  75           HA       TYR  75   6.490  -8.909   0.431
  527   1HB   TYR  75          2HB       TYR  75   4.734  -8.674  -1.333
  528   2HB   TYR  75          1HB       TYR  75   4.615  -6.959  -0.969
  529    HD1  TYR  75           HD2      TYR  75   6.725  -5.487  -1.270
  530    HD2  TYR  75           HD1      TYR  75   6.404  -9.514  -2.792
  531    HE1  TYR  75           HE2      TYR  75   8.740  -5.133  -2.662
  532    HE2  TYR  75           HE1      TYR  75   8.328  -9.097  -4.288
  533    HH   TYR  75           HH       TYR  75   9.966  -7.600  -4.931
  534    H    MET  76           H        MET  76   4.590  -5.855   1.107
  535    HA   MET  76           HA       MET  76   6.875  -4.227   1.359
  536   1HB   MET  76          2HB       MET  76   3.901  -4.119   1.924
  537   2HB   MET  76          1HB       MET  76   4.942  -2.941   2.667
  538   1HG   MET  76          1HG       MET  76   5.869  -2.298   0.468
  539   2HG   MET  76          2HG       MET  76   4.848  -3.501  -0.320
  540   1HE   MET  76          1HE       MET  76   2.313  -3.494  -0.116
  541   2HE   MET  76          2HE       MET  76   1.470  -1.969  -0.536
  542   3HE   MET  76          3HE       MET  76   2.740  -2.609  -1.588
  543    H    SER  77           H        SER  77   5.285  -6.337   3.799
  544    HA   SER  77           HA       SER  77   6.486  -5.081   5.995
  545   1HB   SER  77          1HB       SER  77   5.756  -6.883   7.189
  546   2HB   SER  77          2HB       SER  77   4.584  -6.768   5.887
  547    HG   SER  77           HG       SER  77   5.934  -8.443   4.840
  548    H    LYS  78           HN       LYS  78   8.007  -6.952   3.470
  549    HA   LYS  78           HA       LYS  78  10.322  -7.641   5.249
  550   1HB   LYS  78          2HB       LYS  78   9.471  -8.799   2.583
  551   2HB   LYS  78          1HB       LYS  78  10.865  -9.310   3.559
  552   1HG   LYS  78          1HG       LYS  78   9.268  -9.862   5.438
  553   2HG   LYS  78          2HG       LYS  78   7.928  -9.566   4.338
  554   1HD   LYS  78          1HD       LYS  78  10.100 -11.692   4.093
  555   2HD   LYS  78          2HD       LYS  78   8.383 -11.952   4.428
  556   1HE   LYS  78          1HE       LYS  78   9.597 -10.940   1.810
  557   2HE   LYS  78          2HE       LYS  78   8.888 -12.529   2.104
  558   1HZ   LYS  78          2HZ       LYS  78   7.390 -10.006   2.299
  559   2HZ   LYS  78          3HZ       LYS  78   7.402 -11.006   0.987
  560   3HZ   LYS  78          1HZ       LYS  78   6.778 -11.528   2.415
  561    H    LEU  79           H        LEU  79  10.032  -4.845   4.387
  562    HA   LEU  79           HA       LEU  79  12.156  -4.547   2.410
  563   1HB   LEU  79          2HB       LEU  79   9.590  -3.189   3.363
  564   2HB   LEU  79          1HB       LEU  79  10.891  -2.242   2.840
  565    HG   LEU  79           HG       LEU  79   9.413  -4.409   1.250
  566   1HD1  LEU  79          3HD2      LEU  79   8.145  -2.310   1.708
  567   2HD1  LEU  79          1HD2      LEU  79   9.410  -1.388   0.874
  568   3HD1  LEU  79          2HD2      LEU  79   8.436  -2.581  -0.022
  569   1HD2  LEU  79          1HD1      LEU  79  11.687  -2.608   0.335
  570   2HD2  LEU  79          3HD1      LEU  79  11.617  -4.382   0.285
  571   3HD2  LEU  79          2HD1      LEU  79  10.585  -3.435  -0.787
  572    HHA  HEC   1           HHA      HEM   1   1.569   4.864   3.392
  573    HHB  HEC   1           HHB      HEM   1  -0.196  -0.262   0.053
  574    HHC  HEC   1           HHC      HEM   1   0.742   3.118  -5.305
  575    HHD  HEC   1           HHD      HEM   1   0.961   8.444  -1.783
  576   1HMA  HEC   1          1HMA      HEM   1  -0.843  -0.462   2.356
  577   2HMA  HEC   1          2HMA      HEM   1   0.061  -0.175   3.840
  578   3HMA  HEC   1          3HMA      HEM   1   0.890  -0.892   2.438
  579   1HAA  HEC   1          1HAA      HEM   1   1.988   3.107   4.598
  580   2HAA  HEC   1          2HAA      HEM   1   1.741   1.365   4.676
  581   1HBA  HEC   1          1HBA      HEM   1  -0.702   1.787   4.999
  582   2HBA  HEC   1          2HBA      HEM   1  -0.359   3.513   5.154
  583   1HMB  HEC   1          1HMB      HEM   1   0.269  -1.817  -2.546
  584   2HMB  HEC   1          2HMB      HEM   1  -1.272  -1.444  -3.346
  585   3HMB  HEC   1          3HMB      HEM   1  -1.167  -1.357  -1.594
  586    HAB  HEC   1           HAB      HEM   1  -0.604  -0.447  -5.202
  587   1HBB  HEC   1          1HBB      HEM   1  -1.030   1.840  -6.179
  588   2HBB  HEC   1          2HBB      HEM   1  -0.613   0.449  -7.183
  589   3HBB  HEC   1          3HBB      HEM   1   0.602   1.657  -6.871
  590   1HMC  HEC   1          1HMC      HEM   1   1.975   5.125  -6.609
  591   2HMC  HEC   1          2HMC      HEM   1   0.939   6.551  -6.802
  592   3HMC  HEC   1          3HMC      HEM   1   0.207   4.958  -6.616
  593    HAC  HEC   1           HAC      HEM   1   2.004   8.824  -3.718
  594   1HBC  HEC   1          1HBC      HEM   1   0.795   9.989  -5.513
  595   2HBC  HEC   1          2HBC      HEM   1  -0.316   9.186  -4.378
  596   3HBC  HEC   1          3HBC      HEM   1   0.003   8.477  -5.973
  597   1HMD  HEC   1          1HMD      HEM   1  -0.231   9.681   1.634
  598   2HMD  HEC   1          2HMD      HEM   1   1.198   9.895   0.607
  599   3HMD  HEC   1          3HMD      HEM   1  -0.379   9.492  -0.112
  600   1HAD  HEC   1          1HAD      HEM   1  -0.970   7.406   3.371
  601   2HAD  HEC   1          2HAD      HEM   1   0.342   8.559   3.507
  602   1HBD  HEC   1          1HBD      HEM   1   0.254   5.750   4.716
  603   2HBD  HEC   1          2HBD      HEM   1   1.691   6.773   4.711
   
  No H/Q in entry =         603
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1   0.031 -16.658  -5.218
    2   2H    ALA   1          1H        ALA   1  -0.407 -17.381  -3.773
    3   3H    ALA   1          3H        ALA   1  -1.499 -16.457  -4.616
    4    HA   ALA   1           HA       ALA   1  -0.887 -14.782  -3.335
    5   1HB   ALA   1          3HB       ALA   1   0.391 -16.258  -1.811
    6   2HB   ALA   1          1HB       ALA   1   1.779 -16.216  -2.924
    7   3HB   ALA   1          2HB       ALA   1   1.254 -14.737  -2.096
    8    H    ASP   2           HN       ASP   2   0.694 -12.859  -3.624
    9    HA   ASP   2           HA       ASP   2   2.480 -12.829  -5.904
   10   1HB   ASP   2          2HB       ASP   2   0.340 -12.801  -7.074
   11   2HB   ASP   2          1HB       ASP   2  -0.144 -11.346  -6.228
   12    H    GLY   3           H        GLY   3   0.904 -10.058  -5.308
   13   1HA   GLY   3          2HA       GLY   3   1.245  -8.181  -3.889
   14   2HA   GLY   3          1HA       GLY   3   2.448  -9.103  -2.968
   15    H    ALA   4           H        ALA   4   4.327  -9.868  -4.614
   16    HA   ALA   4           HA       ALA   4   5.997  -7.727  -5.066
   17   1HB   ALA   4          2HB       ALA   4   6.706 -10.096  -5.062
   18   2HB   ALA   4          3HB       ALA   4   5.933 -10.338  -6.642
   19   3HB   ALA   4          1HB       ALA   4   7.322  -9.240  -6.489
   20    H    ALA   5           H        ALA   5   3.895  -9.225  -7.612
   21    HA   ALA   5           HA       ALA   5   4.837  -7.431  -9.650
   22   1HB   ALA   5          3HB       ALA   5   3.793  -9.641 -10.110
   23   2HB   ALA   5          2HB       ALA   5   2.227  -8.981  -9.584
   24   3HB   ALA   5          1HB       ALA   5   3.039  -8.306 -11.004
   25    H    LEU   6           H        LEU   6   2.044  -7.254  -7.334
   26    HA   LEU   6           HA       LEU   6   0.656  -5.135  -8.546
   27   1HB   LEU   6          2HB       LEU   6   0.838  -6.429  -5.795
   28   2HB   LEU   6          1HB       LEU   6  -0.136  -5.045  -6.160
   29    HG   LEU   6           HG       LEU   6  -1.330  -6.331  -7.933
   30   1HD1  LEU   6          1HD2      LEU   6   0.356  -8.637  -6.897
   31   2HD1  LEU   6          2HD2      LEU   6  -1.145  -8.859  -7.818
   32   3HD1  LEU   6          3HD2      LEU   6   0.225  -8.057  -8.578
   33   1HD2  LEU   6          1HD1      LEU   6  -2.224  -6.162  -5.629
   34   2HD2  LEU   6          2HD1      LEU   6  -2.627  -7.715  -6.377
   35   3HD2  LEU   6          3HD1      LEU   6  -1.324  -7.627  -5.168
   36    H    TYR   7           H        TYR   7   3.137  -5.382  -5.994
   37    HA   TYR   7           HA       TYR   7   3.171  -2.831  -5.006
   38   1HB   TYR   7          2HB       TYR   7   4.516  -4.807  -4.254
   39   2HB   TYR   7          1HB       TYR   7   5.652  -4.510  -5.543
   40    HD1  TYR   7           HD1      TYR   7   4.013  -2.681  -2.676
   41    HD2  TYR   7           HD2      TYR   7   7.468  -3.015  -5.237
   42    HE1  TYR   7           HE1      TYR   7   4.966  -0.625  -1.673
   43    HE2  TYR   7           HE2      TYR   7   8.450  -1.020  -4.165
   44    HH   TYR   7           HH       TYR   7   8.071   0.776  -2.765
   45    H    LYS   8           HN       LYS   8   4.894  -3.931  -7.931
   46    HA   LYS   8           HA       LYS   8   6.759  -2.206  -8.517
   47   1HB   LYS   8          1HB       LYS   8   4.513  -3.285 -10.272
   48   2HB   LYS   8          2HB       LYS   8   5.974  -2.493 -10.828
   49   1HG   LYS   8          1HG       LYS   8   7.406  -4.200  -9.792
   50   2HG   LYS   8          2HG       LYS   8   5.979  -5.026  -9.168
   51   1HD   LYS   8          1HD       LYS   8   6.711  -6.192 -11.118
   52   2HD   LYS   8          2HD       LYS   8   5.160  -5.413 -11.474
   53   1HE   LYS   8          1HE       LYS   8   6.311  -3.627 -12.730
   54   2HE   LYS   8          2HE       LYS   8   7.893  -4.285 -12.262
   55   1HZ   LYS   8          3HZ       LYS   8   5.874  -5.646 -13.903
   56   2HZ   LYS   8          2HZ       LYS   8   7.253  -4.933 -14.456
   57   3HZ   LYS   8          1HZ       LYS   8   7.346  -6.260 -13.485
   58    H    SER   9           H        SER   9   3.388  -1.375  -9.650
   59    HA   SER   9           HA       SER   9   3.949   1.161 -10.535
   60   1HB   SER   9          1HB       SER   9   1.383   0.324  -9.134
   61   2HB   SER   9          2HB       SER   9   1.573   1.470 -10.483
   62    HG   SER   9           HG       SER   9   0.908  -0.665 -11.159
   63    H    CYS  10           H        CYS  10   3.454   0.159  -7.182
   64    HA   CYS  10           HA       CYS  10   2.678   2.687  -6.075
   65   1HB   CYS  10          2HB       CYS  10   4.032   0.456  -4.595
   66   2HB   CYS  10          1HB       CYS  10   2.882   1.586  -3.971
   67    H    ILE  11           H        ILE  11   5.717   1.226  -6.998
   68    HA   ILE  11           HA       ILE  11   7.550   2.523  -5.372
   69    HB   ILE  11           HB       ILE  11   7.657   1.847  -8.322
   70   1HG1  ILE  11          2HG1      ILE  11   8.902   0.519  -5.856
   71   2HG1  ILE  11          1HG1      ILE  11   7.400  -0.027  -6.598
   72   1HG2  ILE  11          1HG2      ILE  11   9.348   3.585  -7.942
   73   2HG2  ILE  11          3HG2      ILE  11  10.005   2.656  -6.581
   74   3HG2  ILE  11          2HG2      ILE  11  10.104   2.034  -8.236
   75   1HD1  ILE  11          2HD1      ILE  11   8.684  -0.435  -8.743
   76   2HD1  ILE  11          1HD1      ILE  11  10.179  -0.148  -7.818
   77   3HD1  ILE  11          3HD1      ILE  11   9.106  -1.479  -7.370
   78    H    GLY  12           H        GLY  12   5.565   3.813  -8.026
   79   1HA   GLY  12          2HA       GLY  12   6.752   6.203  -8.693
   80   2HA   GLY  12          1HA       GLY  12   5.005   5.951  -8.543
   81    H    CYS  13           H        CYS  13   5.006   5.461  -5.628
   82    HA   CYS  13           HA       CYS  13   5.632   8.262  -4.682
   83   1HB   CYS  13          2HB       CYS  13   3.359   6.416  -3.999
   84   2HB   CYS  13          1HB       CYS  13   3.826   7.776  -2.987
   85    H    HIS  14           HN       HIS  14   5.824   4.768  -3.962
   86    HA   HIS  14           HA       HIS  14   6.949   5.395  -1.297
   87   1HB   HIS  14          2HB       HIS  14   5.987   2.850  -2.626
   88   2HB   HIS  14          1HB       HIS  14   6.646   2.948  -0.985
   89    HD1  HIS  14           HD1      HIS  14   5.496   4.977   0.533
   90    HD2  HIS  14           HD2      HIS  14   3.246   3.369  -2.608
   91    HE1  HIS  14           HE1      HIS  14   3.094   5.343   1.107
   92    H    GLY  15           H        GLY  15   8.294   4.513  -4.403
   93   1HA   GLY  15          1HA       GLY  15  10.534   4.216  -4.877
   94   2HA   GLY  15          2HA       GLY  15  10.950   4.345  -3.166
   95    H    ALA  16           H        ALA  16  12.217   2.511  -4.724
   96    HA   ALA  16           HA       ALA  16  11.141  -0.005  -5.163
   97   1HB   ALA  16          1HB       ALA  16  13.978   0.701  -4.299
   98   2HB   ALA  16          2HB       ALA  16  13.463  -0.832  -5.036
   99   3HB   ALA  16          3HB       ALA  16  13.346   0.678  -5.959
  100    H    ASP  17           HN       ASP  17  13.032   0.912  -2.226
  101    HA   ASP  17           HA       ASP  17  12.010  -1.467  -0.804
  102   1HB   ASP  17          2HB       ASP  17  13.731  -1.010   0.773
  103   2HB   ASP  17          1HB       ASP  17  14.356  -0.889  -0.883
  104    H    GLY  18           H        GLY  18  10.148   0.509  -1.423
  105   1HA   GLY  18          2HA       GLY  18   8.502   1.890  -0.577
  106   2HA   GLY  18          1HA       GLY  18   8.481   0.669   0.699
  107    H    SER  19           H        SER  19  11.038   3.079   0.015
  108    HA   SER  19           HA       SER  19  11.224   3.780   2.819
  109   1HB   SER  19          1HB       SER  19  13.191   5.122   1.721
  110   2HB   SER  19          2HB       SER  19  13.239   3.349   1.758
  111    HG   SER  19           HG       SER  19  13.458   3.522  -0.333
  112    H    LYS  20           HN       LYS  20  10.231   5.548  -0.273
  113    HA   LYS  20           HA       LYS  20  10.401   8.054   0.856
  114   1HB   LYS  20          1HB       LYS  20  10.563   7.404  -1.525
  115   2HB   LYS  20          2HB       LYS  20   8.879   6.833  -1.502
  116   1HG   LYS  20          2HG       LYS  20   8.080   8.977  -0.967
  117   2HG   LYS  20          1HG       LYS  20   9.765   9.545  -0.740
  118   1HD   LYS  20          1HD       LYS  20  10.168   9.612  -3.092
  119   2HD   LYS  20          2HD       LYS  20   8.883   8.440  -3.426
  120   1HE   LYS  20          1HE       LYS  20   8.277  10.726  -4.189
  121   2HE   LYS  20          2HE       LYS  20   7.140  10.063  -3.004
  122   1HZ   LYS  20          2HZ       LYS  20   9.287  11.965  -2.379
  123   2HZ   LYS  20          3HZ       LYS  20   7.686  12.327  -2.543
  124   3HZ   LYS  20          1HZ       LYS  20   8.174  11.354  -1.319
  125    H    ALA  21           H        ALA  21   8.995   9.160   2.072
  126    HA   ALA  21           HA       ALA  21   6.648   7.952   3.231
  127   1HB   ALA  21          3HB       ALA  21   8.199   9.400   4.476
  128   2HB   ALA  21          2HB       ALA  21   7.800  10.769   3.413
  129   3HB   ALA  21          1HB       ALA  21   6.570  10.084   4.488
  130    H    ALA  22           H        ALA  22   6.278   8.035   0.471
  131    HA   ALA  22           HA       ALA  22   5.100   8.827  -1.285
  132   1HB   ALA  22          3HB       ALA  22   3.499   7.598   0.186
  133   2HB   ALA  22          1HB       ALA  22   2.955   9.162   0.829
  134   3HB   ALA  22          2HB       ALA  22   2.760   8.775  -0.900
  135    H    MET  23           H        MET  23   2.755  10.760  -0.800
  136    HA   MET  23           HA       MET  23   4.316  13.304  -0.959
  137   1HB   MET  23          1HB       MET  23   1.676  12.624  -2.318
  138   2HB   MET  23          2HB       MET  23   2.685  14.060  -2.554
  139   1HG   MET  23          1HG       MET  23   3.316  11.205  -3.401
  140   2HG   MET  23          2HG       MET  23   2.911  12.571  -4.434
  141   1HE   MET  23          3HE       MET  23   5.247  10.755  -5.192
  142   2HE   MET  23          2HE       MET  23   4.846  12.256  -6.065
  143   3HE   MET  23          1HE       MET  23   6.523  11.938  -5.569
  144    H    GLY  24           H        GLY  24   3.540  12.206   1.546
  145   1HA   GLY  24          1HA       GLY  24   2.025  14.399   2.600
  146   2HA   GLY  24          2HA       GLY  24   0.957  13.000   2.403
  147    H    SER  25           H        SER  25   4.420  13.139   3.370
  148    HA   SER  25           HA       SER  25   5.516  12.241   5.150
  149   1HB   SER  25          2HB       SER  25   3.162  13.364   6.713
  150   2HB   SER  25          1HB       SER  25   4.799  13.062   7.319
  151    HG   SER  25           HG       SER  25   4.072  14.893   5.264
  152    H    ALA  26           H        ALA  26   4.182  10.259   3.856
  153    HA   ALA  26           HA       ALA  26   2.416   8.696   5.500
  154   1HB   ALA  26          2HB       ALA  26   2.651   8.487   3.009
  155   2HB   ALA  26          3HB       ALA  26   4.291   7.854   3.230
  156   3HB   ALA  26          1HB       ALA  26   2.932   6.920   3.807
  157    H    LYS  27           HN       LYS  27   2.901   6.761   6.794
  158    HA   LYS  27           HA       LYS  27   5.572   6.753   7.972
  159   1HB   LYS  27          1HB       LYS  27   3.856   4.292   8.136
  160   2HB   LYS  27          2HB       LYS  27   4.902   5.019   9.326
  161   1HG   LYS  27          1HG       LYS  27   2.156   6.106   8.529
  162   2HG   LYS  27          2HG       LYS  27   2.486   5.024   9.841
  163   1HD   LYS  27          2HD       LYS  27   2.306   7.107  10.881
  164   2HD   LYS  27          1HD       LYS  27   4.020   6.698  10.903
  165   1HE   LYS  27          1HE       LYS  27   3.693   9.072  10.434
  166   2HE   LYS  27          2HE       LYS  27   4.405   8.311   9.024
  167   1HZ   LYS  27          3HZ       LYS  27   2.105   8.194   8.129
  168   2HZ   LYS  27          1HZ       LYS  27   1.602   9.089   9.410
  169   3HZ   LYS  27          2HZ       LYS  27   2.691   9.716   8.337
  170    HA   PRO  28           HA       PRO  28   7.130   4.974   4.281
  171   1HB   PRO  28          2HB       PRO  28   9.395   3.573   5.121
  172   2HB   PRO  28          1HB       PRO  28   9.316   5.355   5.002
  173   1HG   PRO  28          1HG       PRO  28   8.853   3.657   7.466
  174   2HG   PRO  28          2HG       PRO  28   9.907   5.096   7.313
  175   1HD   PRO  28          2HD       PRO  28   7.400   5.293   8.329
  176   2HD   PRO  28          1HD       PRO  28   8.006   6.560   7.216
  177    H    VAL  29           H        VAL  29   6.877   3.082   3.112
  178    HA   VAL  29           HA       VAL  29   5.037   1.186   4.295
  179    HB   VAL  29           HB       VAL  29   6.495   1.416   1.620
  180   1HG1  VAL  29          2HG1      VAL  29   4.504  -0.732   2.427
  181   2HG1  VAL  29          3HG1      VAL  29   5.101  -0.427   0.782
  182   3HG1  VAL  29          1HG1      VAL  29   6.217  -1.008   2.020
  183   1HG2  VAL  29          1HG2      VAL  29   4.595   2.971   2.122
  184   2HG2  VAL  29          2HG2      VAL  29   4.231   1.860   0.780
  185   3HG2  VAL  29          3HG2      VAL  29   3.563   1.558   2.391
  186    H    LYS  30           HN       LYS  30   8.425   1.271   3.367
  187    HA   LYS  30           HA       LYS  30   9.556  -1.049   3.398
  188   1HB   LYS  30          2HB       LYS  30  10.659   1.165   3.469
  189   2HB   LYS  30          1HB       LYS  30  10.586   1.166   5.228
  190   1HG   LYS  30          1HG       LYS  30  11.945  -0.920   5.289
  191   2HG   LYS  30          2HG       LYS  30  11.891  -1.006   3.524
  192   1HD   LYS  30          2HD       LYS  30  13.106   1.137   3.360
  193   2HD   LYS  30          1HD       LYS  30  13.234   1.207   5.135
  194   1HE   LYS  30          1HE       LYS  30  14.511  -0.906   5.142
  195   2HE   LYS  30          2HE       LYS  30  14.265  -1.093   3.396
  196   1HZ   LYS  30          2HZ       LYS  30  15.758   1.101   4.649
  197   2HZ   LYS  30          3HZ       LYS  30  16.417  -0.215   3.902
  198   3HZ   LYS  30          1HZ       LYS  30  15.525   0.863   3.029
  199    H    GLY  31           H        GLY  31   8.498  -2.712   4.513
  200   1HA   GLY  31          1HA       GLY  31   7.734  -4.012   6.227
  201   2HA   GLY  31          2HA       GLY  31   9.349  -3.693   6.829
  202    H    GLN  32           H        GLN  32   6.626  -1.342   6.718
  203    HA   GLN  32           HA       GLN  32   7.037  -0.684   9.430
  204   1HB   GLN  32          2HB       GLN  32   4.934   0.534   9.539
  205   2HB   GLN  32          1HB       GLN  32   5.985   0.965   8.188
  206   1HG   GLN  32          1HG       GLN  32   4.639  -0.412   6.695
  207   2HG   GLN  32          2HG       GLN  32   3.559  -0.812   8.051
  208   1HE2  GLN  32          1HE2      GLN  32   3.160   2.995   6.467
  209   2HE2  GLN  32          2HE2      GLN  32   4.769   2.279   6.508
  210    H    GLY  33           H        GLY  33   4.863  -2.975   8.147
  211   1HA   GLY  33          2HA       GLY  33   5.432  -5.118   9.721
  212   2HA   GLY  33          1HA       GLY  33   4.272  -4.268  10.744
  213    H    ALA  34           H        ALA  34   4.263  -6.892   8.848
  214    HA   ALA  34           HA       ALA  34   2.402  -6.598   6.854
  215   1HB   ALA  34          3HB       ALA  34   3.517  -8.767   7.337
  216   2HB   ALA  34          1HB       ALA  34   2.473  -8.973   8.758
  217   3HB   ALA  34          2HB       ALA  34   1.774  -8.929   7.127
  218    H    GLU  35           HN       GLU  35   1.612  -6.714  10.338
  219    HA   GLU  35           HA       GLU  35  -1.234  -6.882  10.000
  220   1HB   GLU  35          2HB       GLU  35   0.552  -5.757  12.214
  221   2HB   GLU  35          1HB       GLU  35  -1.202  -5.861  12.313
  222   1HG   GLU  35          2HG       GLU  35  -1.096  -8.320  12.007
  223   2HG   GLU  35          1HG       GLU  35   0.666  -8.240  11.852
  224    H    GLU  36           HN       GLU  36   0.975  -4.161  10.577
  225    HA   GLU  36           HA       GLU  36  -0.753  -1.947  10.458
  226   1HB   GLU  36          1HB       GLU  36   2.177  -2.378   9.654
  227   2HB   GLU  36          2HB       GLU  36   1.427  -0.836   9.479
  228   1HG   GLU  36          1HG       GLU  36   2.743  -1.059  11.508
  229   2HG   GLU  36          2HG       GLU  36   1.031  -0.713  11.862
  230    H    LEU  37           H        LEU  37   1.270  -3.319   7.864
  231    HA   LEU  37           HA       LEU  37   0.399  -1.855   5.712
  232   1HB   LEU  37          2HB       LEU  37   1.583  -4.623   6.215
  233   2HB   LEU  37          1HB       LEU  37   1.409  -3.987   4.630
  234    HG   LEU  37           HG       LEU  37   3.008  -2.555   6.784
  235   1HD1  LEU  37          2HD2      LEU  37   3.920  -4.434   4.599
  236   2HD1  LEU  37          1HD2      LEU  37   5.012  -3.436   5.588
  237   3HD1  LEU  37          3HD2      LEU  37   4.047  -4.720   6.333
  238   1HD2  LEU  37          1HD1      LEU  37   2.841  -2.211   3.771
  239   2HD2  LEU  37          2HD1      LEU  37   2.365  -1.023   5.012
  240   3HD2  LEU  37          3HD1      LEU  37   4.062  -1.443   4.779
  241    H    TYR  38           HN       TYR  38  -0.775  -5.124   6.855
  242    HA   TYR  38           HA       TYR  38  -2.611  -5.376   4.736
  243   1HB   TYR  38          2HB       TYR  38  -1.984  -7.288   6.108
  244   2HB   TYR  38          1HB       TYR  38  -2.760  -6.551   7.511
  245    HD1  TYR  38           HD1      TYR  38  -3.814  -7.094   3.887
  246    HD2  TYR  38           HE2      TYR  38  -4.714  -7.728   8.066
  247    HE1  TYR  38           HD2      TYR  38  -5.920  -8.214   3.266
  248    HE2  TYR  38           HE1      TYR  38  -6.798  -8.901   7.423
  249    HH   TYR  38           HH       TYR  38  -7.688  -9.612   4.053
  250    H    LYS  39           HN       LYS  39  -3.056  -4.007   7.999
  251    HA   LYS  39           HA       LYS  39  -5.816  -3.511   7.688
  252   1HB   LYS  39          2HB       LYS  39  -4.263  -3.433   9.768
  253   2HB   LYS  39          1HB       LYS  39  -3.828  -1.804   9.291
  254   1HG   LYS  39          1HG       LYS  39  -6.195  -1.096   9.464
  255   2HG   LYS  39          2HG       LYS  39  -6.662  -2.755   9.910
  256   1HD   LYS  39          2HD       LYS  39  -5.124  -2.670  11.857
  257   2HD   LYS  39          1HD       LYS  39  -4.680  -1.007  11.449
  258   1HE   LYS  39          2HE       LYS  39  -7.489  -1.979  12.201
  259   2HE   LYS  39          1HE       LYS  39  -6.374  -1.122  13.277
  260   1HZ   LYS  39          1HZ       LYS  39  -6.455   0.742  11.779
  261   2HZ   LYS  39          3HZ       LYS  39  -7.521  -0.047  10.798
  262   3HZ   LYS  39          2HZ       LYS  39  -7.958   0.357  12.333
  263    H    LYS  40           HN       LYS  40  -3.050  -1.265   7.165
  264    HA   LYS  40           HA       LYS  40  -4.689   0.929   6.276
  265   1HB   LYS  40          1HB       LYS  40  -1.750   0.114   5.926
  266   2HB   LYS  40          2HB       LYS  40  -2.401   1.714   5.630
  267   1HG   LYS  40          1HG       LYS  40  -2.597   0.401   8.385
  268   2HG   LYS  40          2HG       LYS  40  -1.179   1.300   7.861
  269   1HD   LYS  40          2HD       LYS  40  -2.523   3.308   7.526
  270   2HD   LYS  40          1HD       LYS  40  -4.013   2.419   7.919
  271   1HE   LYS  40          2HE       LYS  40  -3.266   3.748   9.839
  272   2HE   LYS  40          1HE       LYS  40  -3.189   2.020  10.217
  273   1HZ   LYS  40          1HZ       LYS  40  -0.903   3.648   9.341
  274   2HZ   LYS  40          3HZ       LYS  40  -1.242   3.278  10.915
  275   3HZ   LYS  40          2HZ       LYS  40  -0.853   2.086   9.846
  276    H    MET  41           H        MET  41  -2.914  -1.683   4.490
  277    HA   MET  41           HA       MET  41  -3.549  -0.515   1.960
  278   1HB   MET  41          1HB       MET  41  -2.529  -2.185   0.955
  279   2HB   MET  41          2HB       MET  41  -1.661  -2.162   2.477
  280   1HG   MET  41          1HG       MET  41  -1.901  -4.497   1.990
  281   2HG   MET  41          2HG       MET  41  -3.235  -4.133   3.122
  282   1HE   MET  41          1HE       MET  41  -2.061  -3.941  -0.414
  283   2HE   MET  41          2HE       MET  41  -3.308  -4.730  -1.387
  284   3HE   MET  41          3HE       MET  41  -3.540  -3.057  -0.862
  285    H    LYS  42           HN       LYS  42  -5.164  -3.004   3.979
  286    HA   LYS  42           HA       LYS  42  -7.301  -3.503   2.129
  287   1HB   LYS  42          2HB       LYS  42  -6.756  -4.956   4.056
  288   2HB   LYS  42          1HB       LYS  42  -7.319  -3.691   5.171
  289   1HG   LYS  42          1HG       LYS  42  -9.586  -3.838   4.180
  290   2HG   LYS  42          2HG       LYS  42  -9.006  -5.043   3.013
  291   1HD   LYS  42          1HD       LYS  42  -8.352  -6.529   4.931
  292   2HD   LYS  42          2HD       LYS  42  -9.066  -5.365   6.054
  293   1HE   LYS  42          1HE       LYS  42 -10.537  -6.862   3.824
  294   2HE   LYS  42          2HE       LYS  42 -10.589  -7.260   5.548
  295   1HZ   LYS  42          1HZ       LYS  42 -11.567  -5.112   5.952
  296   2HZ   LYS  42          3HZ       LYS  42 -11.546  -4.760   4.342
  297   3HZ   LYS  42          2HZ       LYS  42 -12.481  -5.993   4.902
  298    H    GLY  43           H        GLY  43  -6.721  -1.149   4.725
  299   1HA   GLY  43          1HA       GLY  43  -8.847   0.515   5.111
  300   2HA   GLY  43          2HA       GLY  43  -7.182   0.898   4.875
  301    H    TYR  44           H        TYR  44  -6.287   1.004   2.761
  302    HA   TYR  44           HA       TYR  44  -7.583   2.979   1.198
  303   1HB   TYR  44          1HB       TYR  44  -5.174   1.200   0.641
  304   2HB   TYR  44          2HB       TYR  44  -5.683   2.502  -0.436
  305    HD1  TYR  44           HD2      TYR  44  -6.256   4.801   1.019
  306    HD2  TYR  44           HD1      TYR  44  -3.170   1.884   1.753
  307    HE1  TYR  44           HE2      TYR  44  -5.137   6.372   2.547
  308    HE2  TYR  44           HE1      TYR  44  -1.886   3.600   3.003
  309    HH   TYR  44           HH       TYR  44  -1.933   5.689   3.981
  310    H    ALA  45           H        ALA  45  -7.098  -0.521   0.525
  311    HA   ALA  45           HA       ALA  45  -8.366  -0.554  -1.994
  312   1HB   ALA  45          1HB       ALA  45  -7.000  -2.397  -1.089
  313   2HB   ALA  45          3HB       ALA  45  -8.265  -2.747   0.112
  314   3HB   ALA  45          2HB       ALA  45  -8.598  -2.967  -1.615
  315    H    ASP  46           HN       ASP  46  -9.821  -0.688   1.272
  316    HA   ASP  46           HA       ASP  46 -12.474  -1.315   0.247
  317   1HB   ASP  46          2HB       ASP  46 -11.802  -1.912   2.523
  318   2HB   ASP  46          1HB       ASP  46 -11.498  -0.215   2.917
  319    H    GLY  47           H        GLY  47 -10.681   1.592   1.319
  320   1HA   GLY  47          2HA       GLY  47 -10.855   3.650   0.138
  321   2HA   GLY  47          1HA       GLY  47 -12.552   3.336  -0.244
  322    H    SER  48           H        SER  48 -12.171   2.328   2.965
  323    HA   SER  48           HA       SER  48 -13.552   4.605   4.068
  324   1HB   SER  48          2HB       SER  48 -12.856   3.147   6.146
  325   2HB   SER  48          1HB       SER  48 -14.052   2.490   5.015
  326    HG   SER  48           HG       SER  48 -12.693   0.987   4.506
  327    H    TYR  49           H        TYR  49 -10.447   2.985   4.640
  328    HA   TYR  49           HA       TYR  49  -9.235   5.351   5.886
  329   1HB   TYR  49          1HB       TYR  49  -8.717   2.869   6.448
  330   2HB   TYR  49          2HB       TYR  49  -7.793   2.848   4.958
  331    HD1  TYR  49           HD2      TYR  49  -7.930   4.418   8.282
  332    HD2  TYR  49           HD1      TYR  49  -5.647   3.675   4.700
  333    HE1  TYR  49           HE2      TYR  49  -5.943   5.358   9.353
  334    HE2  TYR  49           HE1      TYR  49  -3.681   4.661   5.730
  335    HH   TYR  49           HH       TYR  49  -2.892   6.019   7.542
  336    H    GLY  50           H        GLY  50  -9.845   6.727   3.900
  337   1HA   GLY  50          2HA       GLY  50  -7.508   7.118   2.244
  338   2HA   GLY  50          1HA       GLY  50  -8.827   6.346   1.340
  339    H    GLY  51           H        GLY  51  -8.298   8.606   0.250
  340   1HA   GLY  51          2HA       GLY  51 -10.315  10.215  -0.098
  341   2HA   GLY  51          1HA       GLY  51  -9.784  10.867   1.465
  342    H    GLU  52           HN       GLU  52  -9.794  12.450  -0.815
  343    HA   GLU  52           HA       GLU  52  -8.623  13.693  -2.258
  344   1HB   GLU  52          2HB       GLU  52  -8.334  14.607   0.056
  345   2HB   GLU  52          1HB       GLU  52  -6.760  13.838   0.154
  346   1HG   GLU  52          2HG       GLU  52  -6.147  15.259  -1.964
  347   2HG   GLU  52          1HG       GLU  52  -7.718  16.033  -1.757
  348    H    ARG  53           HN       ARG  53  -5.470  13.363  -1.236
  349    HA   ARG  53           HA       ARG  53  -4.519  12.472  -3.750
  350   1HB   ARG  53          2HB       ARG  53  -2.341  12.488  -2.756
  351   2HB   ARG  53          1HB       ARG  53  -3.269  13.837  -2.103
  352   1HG   ARG  53          1HG       ARG  53  -3.762  12.159  -0.076
  353   2HG   ARG  53          2HG       ARG  53  -2.408  11.246  -0.752
  354   1HD   ARG  53          2HD       ARG  53  -1.535  12.741   0.929
  355   2HD   ARG  53          1HD       ARG  53  -1.028  13.355  -0.660
  356    HE   ARG  53           HE       ARG  53  -3.538  14.502   0.290
  357   1HH1  ARG  53          1HH1      ARG  53   0.009  14.867   0.455
  358   2HH1  ARG  53          2HH1      ARG  53  -0.090  16.515   0.997
  359   1HH2  ARG  53          2HH2      ARG  53  -3.632  16.626   0.899
  360   2HH2  ARG  53          1HH2      ARG  53  -2.188  17.552   1.248
  361    H    LYS  54           HN       LYS  54  -5.483  10.698  -0.886
  362    HA   LYS  54           HA       LYS  54  -4.063   8.256  -1.546
  363   1HB   LYS  54          2HB       LYS  54  -6.324   8.509   0.454
  364   2HB   LYS  54          1HB       LYS  54  -4.941   7.425   0.440
  365   1HG   LYS  54          1HG       LYS  54  -3.552   9.643   0.548
  366   2HG   LYS  54          2HG       LYS  54  -5.053  10.380   1.129
  367   1HD   LYS  54          1HD       LYS  54  -5.178   8.649   2.935
  368   2HD   LYS  54          2HD       LYS  54  -3.566   8.078   2.428
  369   1HE   LYS  54          1HE       LYS  54  -2.611  10.297   2.922
  370   2HE   LYS  54          2HE       LYS  54  -4.212  10.898   3.395
  371   1HZ   LYS  54          2HZ       LYS  54  -2.792   8.683   4.703
  372   2HZ   LYS  54          3HZ       LYS  54  -2.887  10.228   5.271
  373   3HZ   LYS  54          1HZ       LYS  54  -4.247   9.306   5.152
  374    H    ALA  55           H        ALA  55  -6.905   9.781  -2.660
  375    HA   ALA  55           HA       ALA  55  -8.660   7.598  -3.062
  376   1HB   ALA  55          1HB       ALA  55  -9.301   9.953  -3.430
  377   2HB   ALA  55          2HB       ALA  55  -8.271  10.005  -4.882
  378   3HB   ALA  55          3HB       ALA  55  -9.683   8.934  -4.831
  379    H    MET  56           H        MET  56  -5.916   8.727  -5.065
  380    HA   MET  56           HA       MET  56  -6.308   7.035  -7.317
  381   1HB   MET  56          2HB       MET  56  -3.794   8.226  -6.052
  382   2HB   MET  56          1HB       MET  56  -3.845   7.438  -7.633
  383   1HG   MET  56          1HG       MET  56  -5.463   9.089  -8.448
  384   2HG   MET  56          2HG       MET  56  -5.457   9.916  -6.888
  385   1HE   MET  56          3HE       MET  56  -3.639  11.476  -6.023
  386   2HE   MET  56          2HE       MET  56  -2.474  10.131  -5.985
  387   3HE   MET  56          1HE       MET  56  -2.032  11.666  -6.762
  388    H    MET  57           H        MET  57  -4.210   6.684  -4.470
  389    HA   MET  57           HA       MET  57  -3.221   4.089  -4.878
  390   1HB   MET  57          1HB       MET  57  -2.327   5.627  -3.235
  391   2HB   MET  57          2HB       MET  57  -3.862   5.660  -2.368
  392   1HG   MET  57          1HG       MET  57  -3.617   3.340  -1.694
  393   2HG   MET  57          2HG       MET  57  -2.164   3.152  -2.674
  394   1HE   MET  57          2HE       MET  57  -3.593   5.756  -0.130
  395   2HE   MET  57          3HE       MET  57  -2.174   6.172   0.855
  396   3HE   MET  57          1HE       MET  57  -2.246   6.668  -0.847
  397    H    THR  58           H        THR  58  -6.084   5.177  -3.008
  398    HA   THR  58           HA       THR  58  -7.128   2.726  -2.240
  399    HB   THR  58           HB       THR  58  -8.289   5.430  -2.805
  400    HG1  THR  58           HG1      THR  58  -8.534   3.671  -0.630
  401   1HG2  THR  58          3HG2      THR  58 -10.083   3.014  -2.390
  402   2HG2  THR  58          1HG2      THR  58 -10.551   4.701  -2.098
  403   3HG2  THR  58          2HG2      THR  58 -10.128   4.182  -3.727
  404    H    ASN  59           H        ASN  59  -7.958   4.446  -5.349
  405    HA   ASN  59           HA       ASN  59  -9.506   2.220  -6.188
  406   1HB   ASN  59          2HB       ASN  59  -9.475   4.591  -7.175
  407   2HB   ASN  59          1HB       ASN  59  -8.149   4.018  -8.194
  408   1HD2  ASN  59          1HD2      ASN  59 -10.895   1.434  -9.324
  409   2HD2  ASN  59          2HD2      ASN  59  -9.546   1.098  -8.255
  410    H    ALA  60           H        ALA  60  -6.008   2.952  -6.588
  411    HA   ALA  60           HA       ALA  60  -5.442   0.863  -8.426
  412   1HB   ALA  60          3HB       ALA  60  -3.852   2.654  -7.903
  413   2HB   ALA  60          1HB       ALA  60  -3.627   2.013  -6.268
  414   3HB   ALA  60          2HB       ALA  60  -3.125   1.053  -7.670
  415    H    VAL  61           H        VAL  61  -5.022   0.764  -4.808
  416    HA   VAL  61           HA       VAL  61  -4.563  -2.077  -4.872
  417    HB   VAL  61           HB       VAL  61  -4.946  -2.018  -2.428
  418   1HG1  VAL  61          1HG2      VAL  61  -2.706  -1.791  -3.389
  419   2HG1  VAL  61          2HG2      VAL  61  -2.922  -0.028  -3.516
  420   3HG1  VAL  61          3HG2      VAL  61  -2.875  -0.804  -1.923
  421   1HG2  VAL  61          1HG1      VAL  61  -6.388   0.209  -2.575
  422   2HG2  VAL  61          2HG1      VAL  61  -5.342  -0.155  -1.187
  423   3HG2  VAL  61          3HG1      VAL  61  -4.799   0.978  -2.420
  424    H    LYS  62           HN       LYS  62  -7.580  -0.199  -4.699
  425    HA   LYS  62           HA       LYS  62  -9.330  -2.128  -3.747
  426   1HB   LYS  62          2HB       LYS  62 -10.027   0.088  -4.178
  427   2HB   LYS  62          1HB       LYS  62  -9.687  -0.042  -5.911
  428   1HG   LYS  62          1HG       LYS  62 -11.473  -1.573  -6.268
  429   2HG   LYS  62          2HG       LYS  62 -11.791  -1.715  -4.534
  430   1HD   LYS  62          2HD       LYS  62 -12.089   0.811  -6.247
  431   2HD   LYS  62          1HD       LYS  62 -13.415  -0.243  -5.754
  432   1HE   LYS  62          2HE       LYS  62 -11.712   1.488  -3.896
  433   2HE   LYS  62          1HE       LYS  62 -13.390   1.750  -4.369
  434   1HZ   LYS  62          3HZ       LYS  62 -13.936  -0.336  -3.285
  435   2HZ   LYS  62          2HZ       LYS  62 -12.369  -0.491  -2.784
  436   3HZ   LYS  62          1HZ       LYS  62 -13.283   0.754  -2.232
  437    H    LYS  63           HN       LYS  63  -7.644  -2.195  -6.887
  438    HA   LYS  63           HA       LYS  63  -9.428  -4.034  -8.116
  439   1HB   LYS  63          2HB       LYS  63  -6.544  -3.282  -8.576
  440   2HB   LYS  63          1HB       LYS  63  -7.191  -4.724  -9.352
  441   1HG   LYS  63          1HG       LYS  63  -7.383  -2.889 -10.855
  442   2HG   LYS  63          2HG       LYS  63  -8.990  -3.483 -10.412
  443   1HD   LYS  63          1HD       LYS  63  -9.353  -1.562  -8.923
  444   2HD   LYS  63          2HD       LYS  63  -7.648  -1.107  -9.072
  445   1HE   LYS  63          2HE       LYS  63  -8.952   0.369 -10.506
  446   2HE   LYS  63          1HE       LYS  63  -7.959  -0.677 -11.514
  447   1HZ   LYS  63          2HZ       LYS  63 -10.805  -1.099 -10.908
  448   2HZ   LYS  63          3HZ       LYS  63 -10.195  -0.510 -12.321
  449   3HZ   LYS  63          1HZ       LYS  63  -9.874  -2.061 -11.870
  450    H    ALA  64           H        ALA  64  -6.944  -4.471  -5.641
  451    HA   ALA  64           HA       ALA  64  -6.387  -7.300  -6.103
  452   1HB   ALA  64          1HB       ALA  64  -5.725  -5.338  -3.876
  453   2HB   ALA  64          3HB       ALA  64  -5.103  -6.966  -3.954
  454   3HB   ALA  64          2HB       ALA  64  -4.684  -5.806  -5.229
  455    H    SER  65           H        SER  65  -7.493  -8.965  -5.288
  456    HA   SER  65           HA       SER  65  -9.754  -8.550  -3.414
  457   1HB   SER  65          2HB       SER  65  -8.932 -11.261  -4.475
  458   2HB   SER  65          1HB       SER  65 -10.511 -10.674  -3.986
  459    HG   SER  65           HG       SER  65  -9.025  -9.987  -6.309
  460    H    ASP  66           HN       ASP  66  -9.825 -10.459  -1.595
  461    HA   ASP  66           HA       ASP  66  -7.954  -9.762   0.236
  462   1HB   ASP  66          2HB       ASP  66 -10.019 -10.976   0.792
  463   2HB   ASP  66          1HB       ASP  66  -9.288 -12.481   0.196
  464    H    GLU  67           HN       GLU  67  -7.428 -12.574  -1.941
  465    HA   GLU  67           HA       GLU  67  -5.121 -13.504  -0.570
  466   1HB   GLU  67          2HB       GLU  67  -6.405 -14.654  -2.516
  467   2HB   GLU  67          1HB       GLU  67  -5.402 -13.653  -3.594
  468   1HG   GLU  67          1HG       GLU  67  -3.362 -14.580  -2.415
  469   2HG   GLU  67          2HG       GLU  67  -4.436 -15.690  -1.549
  470    H    GLU  68           HN       GLU  68  -5.453 -11.232  -3.289
  471    HA   GLU  68           HA       GLU  68  -2.784 -10.581  -3.734
  472   1HB   GLU  68          2HB       GLU  68  -5.432  -9.095  -4.120
  473   2HB   GLU  68          1HB       GLU  68  -3.937  -8.723  -4.867
  474   1HG   GLU  68          1HG       GLU  68  -4.755  -9.943  -6.550
  475   2HG   GLU  68          2HG       GLU  68  -4.185 -11.365  -5.623
  476    H    LEU  69           H        LEU  69  -5.357  -8.960  -1.830
  477    HA   LEU  69           HA       LEU  69  -3.836  -6.806  -0.872
  478   1HB   LEU  69          1HB       LEU  69  -6.104  -8.355   0.479
  479   2HB   LEU  69          2HB       LEU  69  -5.540  -6.812   1.072
  480    HG   LEU  69           HG       LEU  69  -6.805  -7.252  -1.663
  481   1HD1  LEU  69          2HD2      LEU  69  -8.431  -7.637   0.182
  482   2HD1  LEU  69          3HD2      LEU  69  -7.989  -6.074   0.887
  483   3HD1  LEU  69          1HD2      LEU  69  -8.793  -6.149  -0.695
  484   1HD2  LEU  69          1HD1      LEU  69  -5.371  -5.227  -1.590
  485   2HD2  LEU  69          3HD1      LEU  69  -7.073  -4.874  -1.824
  486   3HD2  LEU  69          2HD1      LEU  69  -6.358  -4.618  -0.233
  487    H    LYS  70           HN       LYS  70  -4.409  -9.992   0.709
  488    HA   LYS  70           HA       LYS  70  -2.823  -9.595   3.022
  489   1HB   LYS  70          1HB       LYS  70  -3.552 -12.063   1.390
  490   2HB   LYS  70          2HB       LYS  70  -2.659 -12.185   2.895
  491   1HG   LYS  70          2HG       LYS  70  -5.189 -10.580   3.016
  492   2HG   LYS  70          1HG       LYS  70  -5.380 -12.291   2.668
  493   1HD   LYS  70          1HD       LYS  70  -5.548 -11.808   5.075
  494   2HD   LYS  70          2HD       LYS  70  -4.270 -12.969   4.687
  495   1HE   LYS  70          1HE       LYS  70  -2.535 -11.273   5.005
  496   2HE   LYS  70          2HE       LYS  70  -3.756 -10.004   5.167
  497   1HZ   LYS  70          2HZ       LYS  70  -3.401 -12.252   7.006
  498   2HZ   LYS  70          1HZ       LYS  70  -2.921 -10.697   7.266
  499   3HZ   LYS  70          3HZ       LYS  70  -4.524 -11.053   7.149
  500    H    ALA  71           H        ALA  71  -2.012 -11.031  -0.167
  501    HA   ALA  71           HA       ALA  71   0.710 -11.504   0.481
  502   1HB   ALA  71          2HB       ALA  71  -0.498 -12.608  -1.381
  503   2HB   ALA  71          1HB       ALA  71  -0.603 -11.051  -2.238
  504   3HB   ALA  71          3HB       ALA  71   0.988 -11.797  -1.940
  505    H    LEU  72           H        LEU  72  -0.901  -8.477  -0.668
  506    HA   LEU  72           HA       LEU  72   1.583  -7.335  -1.539
  507   1HB   LEU  72          2HB       LEU  72  -0.741  -6.815  -2.278
  508   2HB   LEU  72          1HB       LEU  72  -1.051  -6.018  -0.743
  509    HG   LEU  72           HG       LEU  72   0.258  -4.149  -1.348
  510   1HD1  LEU  72          3HD1      LEU  72   1.650  -5.825  -3.469
  511   2HD1  LEU  72          1HD1      LEU  72   1.896  -4.093  -3.194
  512   3HD1  LEU  72          2HD1      LEU  72   2.385  -5.249  -1.955
  513   1HD2  LEU  72          1HD2      LEU  72  -0.847  -5.358  -3.918
  514   2HD2  LEU  72          2HD2      LEU  72  -1.722  -4.323  -2.794
  515   3HD2  LEU  72          3HD2      LEU  72  -0.389  -3.664  -3.741
  516    H    ALA  73           H        ALA  73  -0.461  -7.256   1.408
  517    HA   ALA  73           HA       ALA  73   1.197  -5.596   2.981
  518   1HB   ALA  73          3HB       ALA  73  -1.082  -6.364   3.573
  519   2HB   ALA  73          2HB       ALA  73  -0.454  -7.980   3.933
  520   3HB   ALA  73          1HB       ALA  73   0.094  -6.594   4.893
  521    H    ASP  74           HN       ASP  74   1.218  -9.217   2.736
  522    HA   ASP  74           HA       ASP  74   3.421  -9.693   4.368
  523   1HB   ASP  74          1HB       ASP  74   1.952 -11.446   3.406
  524   2HB   ASP  74          2HB       ASP  74   2.692 -11.187   1.815
  525    H    TYR  75           H        TYR  75   3.450  -9.058   0.812
  526    HA   TYR  75           HA       TYR  75   6.227  -9.237   0.432
  527   1HB   TYR  75          2HB       TYR  75   4.589  -9.176  -1.388
  528   2HB   TYR  75          1HB       TYR  75   4.182  -7.503  -1.018
  529    HD1  TYR  75           HD2      TYR  75   6.924  -9.758  -2.171
  530    HD2  TYR  75           HD1      TYR  75   5.570  -5.678  -1.817
  531    HE1  TYR  75           HE2      TYR  75   8.872  -8.997  -3.492
  532    HE2  TYR  75           HE1      TYR  75   7.539  -4.925  -3.126
  533    HH   TYR  75           HH       TYR  75  10.017  -7.176  -4.339
  534    H    MET  76           H        MET  76   4.320  -6.154   0.854
  535    HA   MET  76           HA       MET  76   6.477  -4.446   1.231
  536   1HB   MET  76          1HB       MET  76   3.647  -4.429   2.384
  537   2HB   MET  76          2HB       MET  76   4.764  -3.049   2.391
  538   1HG   MET  76          2HG       MET  76   4.944  -3.386  -0.126
  539   2HG   MET  76          1HG       MET  76   3.620  -4.480  -0.058
  540   1HE   MET  76          2HE       MET  76   1.280  -4.060   0.660
  541   2HE   MET  76          3HE       MET  76   1.562  -3.119   2.130
  542   3HE   MET  76          1HE       MET  76   0.516  -2.474   0.846
  543    H    SER  77           H        SER  77   5.064  -6.706   3.585
  544    HA   SER  77           HA       SER  77   6.419  -5.579   5.849
  545   1HB   SER  77          1HB       SER  77   4.401  -7.055   5.913
  546   2HB   SER  77          2HB       SER  77   5.481  -8.428   5.610
  547    HG   SER  77           HG       SER  77   6.726  -7.606   7.445
  548    H    LYS  78           HN       LYS  78   7.842  -7.031   3.147
  549    HA   LYS  78           HA       LYS  78  10.232  -7.940   4.655
  550   1HB   LYS  78          2HB       LYS  78   8.779  -9.401   2.394
  551   2HB   LYS  78          1HB       LYS  78  10.325  -9.883   3.106
  552   1HG   LYS  78          2HG       LYS  78   9.234 -10.376   5.246
  553   2HG   LYS  78          1HG       LYS  78   7.686  -9.759   4.636
  554   1HD   LYS  78          1HD       LYS  78   7.621 -11.456   2.880
  555   2HD   LYS  78          2HD       LYS  78   9.148 -12.153   3.466
  556   1HE   LYS  78          2HE       LYS  78   8.096 -12.709   5.622
  557   2HE   LYS  78          1HE       LYS  78   6.606 -11.870   5.147
  558   1HZ   LYS  78          3HZ       LYS  78   7.693 -14.243   3.811
  559   2HZ   LYS  78          1HZ       LYS  78   6.420 -14.214   4.860
  560   3HZ   LYS  78          2HZ       LYS  78   6.304 -13.441   3.412
  561    H    LEU  79           H        LEU  79   9.965  -5.349   3.647
  562    HA   LEU  79           HA       LEU  79  11.475  -5.299   1.167
  563   1HB   LEU  79          2HB       LEU  79   8.982  -5.417   0.667
  564   2HB   LEU  79          1HB       LEU  79   8.753  -4.102   1.841
  565    HG   LEU  79           HG       LEU  79  10.152  -2.665   0.477
  566   1HD1  LEU  79          3HD1      LEU  79   9.949  -5.018  -1.481
  567   2HD1  LEU  79          1HD1      LEU  79  10.428  -3.394  -1.995
  568   3HD1  LEU  79          2HD1      LEU  79  11.441  -4.286  -0.852
  569   1HD2  LEU  79          3HD2      LEU  79   7.675  -3.840  -0.854
  570   2HD2  LEU  79          1HD2      LEU  79   7.715  -2.550   0.368
  571   3HD2  LEU  79          2HD2      LEU  79   8.388  -2.256  -1.245
  572    HHA  HEC   1           HHA      HEM   1   1.569   4.936   3.683
  573    HHB  HEC   1           HHB      HEM   1   0.295  -0.196   0.148
  574    HHC  HEC   1           HHC      HEM   1   0.706   3.520  -5.033
  575    HHD  HEC   1           HHD      HEM   1   0.310   8.681  -1.262
  576   1HMA  HEC   1          1HMA      HEM   1   0.413  -0.203   3.942
  577   2HMA  HEC   1          2HMA      HEM   1  -0.192  -0.638   2.343
  578   3HMA  HEC   1          3HMA      HEM   1   1.558  -0.696   2.659
  579   1HAA  HEC   1          1HAA      HEM   1   1.893   1.416   4.896
  580   2HAA  HEC   1          2HAA      HEM   1   2.363   3.079   4.622
  581   1HBA  HEC   1          1HBA      HEM   1  -0.025   1.903   5.972
  582   2HBA  HEC   1          2HBA      HEM   1  -0.404   3.309   4.984
  583   1HMB  HEC   1          1HMB      HEM   1  -0.598  -1.380  -1.677
  584   2HMB  HEC   1          2HMB      HEM   1  -0.030  -1.526  -3.345
  585   3HMB  HEC   1          3HMB      HEM   1   1.143  -1.465  -2.034
  586    HAB  HEC   1           HAB      HEM   1   0.552   1.558  -5.731
  587   1HBB  HEC   1          1HBB      HEM   1  -1.149  -0.845  -5.061
  588   2HBB  HEC   1          2HBB      HEM   1  -1.767   0.772  -5.457
  589   3HBB  HEC   1          3HBB      HEM   1  -0.808  -0.142  -6.642
  590   1HMC  HEC   1          1HMC      HEM   1   1.789   5.628  -6.173
  591   2HMC  HEC   1          2HMC      HEM   1   0.018   5.467  -6.278
  592   3HMC  HEC   1          3HMC      HEM   1   0.765   7.065  -6.336
  593    HAC  HEC   1           HAC      HEM   1   1.586   9.174  -3.073
  594   1HBC  HEC   1          1HBC      HEM   1  -0.711   9.504  -3.904
  595   2HBC  HEC   1          2HBC      HEM   1  -0.181   9.010  -5.526
  596   3HBC  HEC   1          3HBC      HEM   1   0.487  10.478  -4.789
  597   1HMD  HEC   1          1HMD      HEM   1  -0.205   9.856   2.383
  598   2HMD  HEC   1          2HMD      HEM   1  -1.095   9.596   0.870
  599   3HMD  HEC   1          3HMD      HEM   1   0.634  10.003   0.832
  600   1HAD  HEC   1          1HAD      HEM   1  -1.032   7.784   3.988
  601   2HAD  HEC   1          2HAD      HEM   1   0.551   8.481   4.165
  602   1HBD  HEC   1          1HBD      HEM   1  -0.031   5.551   4.924
  603   2HBD  HEC   1          2HBD      HEM   1   1.403   6.478   5.278
   
  No H/Q in entry =         603
  Start of MODEL    6
    1   1H    ALA   1          3H        ALA   1   3.942 -12.054  -8.952
    2   2H    ALA   1          2H        ALA   1   3.914 -13.428  -9.898
    3   3H    ALA   1          1H        ALA   1   2.703 -12.295  -9.985
    4    HA   ALA   1           HA       ALA   1   1.826 -14.031  -8.719
    5   1HB   ALA   1          2HB       ALA   1   3.988 -15.079  -8.098
    6   2HB   ALA   1          1HB       ALA   1   4.329 -13.726  -6.996
    7   3HB   ALA   1          3HB       ALA   1   2.967 -14.816  -6.674
    8    H    ASP   2           HN       ASP   2   0.765 -13.705  -6.502
    9    HA   ASP   2           HA       ASP   2  -0.256 -11.150  -6.173
   10   1HB   ASP   2          1HB       ASP   2   0.074 -13.360  -4.091
   11   2HB   ASP   2          2HB       ASP   2  -1.006 -11.972  -3.941
   12    H    GLY   3           H        GLY   3   0.061  -9.525  -4.530
   13   1HA   GLY   3          1HA       GLY   3   1.262  -8.211  -3.065
   14   2HA   GLY   3          2HA       GLY   3   2.431  -9.509  -2.847
   15    H    ALA   4           H        ALA   4   3.645 -10.033  -4.844
   16    HA   ALA   4           HA       ALA   4   5.467  -7.905  -5.366
   17   1HB   ALA   4          2HB       ALA   4   6.115 -10.277  -5.400
   18   2HB   ALA   4          3HB       ALA   4   5.122 -10.550  -6.846
   19   3HB   ALA   4          1HB       ALA   4   6.541  -9.481  -6.929
   20    H    ALA   5           H        ALA   5   3.105  -9.464  -7.607
   21    HA   ALA   5           HA       ALA   5   3.672  -7.857  -9.856
   22   1HB   ALA   5          1HB       ALA   5   1.032  -9.136  -9.019
   23   2HB   ALA   5          2HB       ALA   5   1.417  -8.516 -10.638
   24   3HB   ALA   5          3HB       ALA   5   2.321  -9.893  -9.984
   25    H    LEU   6           H        LEU   6   1.334  -7.327  -7.210
   26    HA   LEU   6           HA       LEU   6   0.208  -4.927  -8.338
   27   1HB   LEU   6          1HB       LEU   6   0.235  -5.884  -5.451
   28   2HB   LEU   6          2HB       LEU   6  -0.759  -4.591  -6.131
   29    HG   LEU   6           HG       LEU   6  -1.329  -6.726  -7.838
   30   1HD1  LEU   6          3HD1      LEU   6  -1.123  -7.793  -4.982
   31   2HD1  LEU   6          2HD1      LEU   6  -1.855  -8.643  -6.361
   32   3HD1  LEU   6          1HD1      LEU   6  -0.121  -8.314  -6.349
   33   1HD2  LEU   6          2HD2      LEU   6  -2.943  -5.123  -6.907
   34   2HD2  LEU   6          3HD2      LEU   6  -3.500  -6.790  -6.705
   35   3HD2  LEU   6          1HD2      LEU   6  -2.824  -5.907  -5.317
   36    H    TYR   7           H        TYR   7   2.799  -5.564  -5.911
   37    HA   TYR   7           HA       TYR   7   3.191  -2.954  -5.147
   38   1HB   TYR   7          1HB       TYR   7   4.232  -4.920  -4.072
   39   2HB   TYR   7          2HB       TYR   7   5.373  -5.031  -5.415
   40    HD1  TYR   7           HD1      TYR   7   4.045  -2.179  -3.282
   41    HD2  TYR   7           HD2      TYR   7   7.515  -4.306  -4.703
   42    HE1  TYR   7           HE1      TYR   7   5.498  -0.491  -2.237
   43    HE2  TYR   7           HE2      TYR   7   8.974  -2.628  -3.609
   44    HH   TYR   7           HH       TYR   7   9.062  -0.639  -2.476
   45    H    LYS   8           HN       LYS   8   4.228  -4.417  -8.181
   46    HA   LYS   8           HA       LYS   8   6.149  -2.521  -9.007
   47   1HB   LYS   8          2HB       LYS   8   4.045  -3.793 -10.791
   48   2HB   LYS   8          1HB       LYS   8   5.615  -3.144 -11.272
   49   1HG   LYS   8          1HG       LYS   8   5.070  -5.657  -9.649
   50   2HG   LYS   8          2HG       LYS   8   5.728  -5.526 -11.275
   51   1HD   LYS   8          1HD       LYS   8   7.767  -4.383 -10.321
   52   2HD   LYS   8          2HD       LYS   8   7.078  -4.585  -8.698
   53   1HE   LYS   8          1HE       LYS   8   8.696  -6.334  -9.071
   54   2HE   LYS   8          2HE       LYS   8   7.075  -7.035  -8.953
   55   1HZ   LYS   8          3HZ       LYS   8   8.524  -6.486 -11.454
   56   2HZ   LYS   8          2HZ       LYS   8   8.361  -7.964 -10.745
   57   3HZ   LYS   8          1HZ       LYS   8   7.036  -7.186 -11.336
   58    H    SER   9           H        SER   9   2.594  -2.201  -8.859
   59    HA   SER   9           HA       SER   9   2.603   0.330 -10.330
   60   1HB   SER   9          2HB       SER   9   0.395  -0.993  -8.710
   61   2HB   SER   9          1HB       SER   9   0.221   0.246  -9.968
   62    HG   SER   9           HG       SER   9   1.278  -1.386 -11.380
   63    H    CYS  10           H        CYS  10   3.749  -0.333  -7.340
   64    HA   CYS  10           HA       CYS  10   2.782   2.199  -6.082
   65   1HB   CYS  10          2HB       CYS  10   3.955  -0.127  -4.618
   66   2HB   CYS  10          1HB       CYS  10   2.928   1.118  -3.980
   67    H    ILE  11           H        ILE  11   5.495   0.012  -6.732
   68    HA   ILE  11           HA       ILE  11   7.675   1.379  -5.670
   69    HB   ILE  11           HB       ILE  11   7.206  -0.191  -8.213
   70   1HG1  ILE  11          2HG1      ILE  11   8.799  -0.728  -5.655
   71   2HG1  ILE  11          1HG1      ILE  11   7.200  -1.370  -6.043
   72   1HG2  ILE  11          3HG2      ILE  11   9.047   1.325  -8.837
   73   2HG2  ILE  11          2HG2      ILE  11   9.959   0.811  -7.397
   74   3HG2  ILE  11          1HG2      ILE  11   9.595  -0.323  -8.708
   75   1HD1  ILE  11          1HD1      ILE  11   8.279  -2.514  -8.064
   76   2HD1  ILE  11          3HD1      ILE  11   9.849  -2.077  -7.352
   77   3HD1  ILE  11          2HD1      ILE  11   8.747  -3.132  -6.470
   78    H    GLY  12           H        GLY  12   9.104   2.963  -6.557
   79   1HA   GLY  12          1HA       GLY  12   9.624   4.799  -7.919
   80   2HA   GLY  12          2HA       GLY  12   8.107   4.633  -8.809
   81    H    CYS  13           H        CYS  13   6.138   4.697  -6.619
   82    HA   CYS  13           HA       CYS  13   6.448   7.592  -6.013
   83   1HB   CYS  13          1HB       CYS  13   4.194   6.721  -6.564
   84   2HB   CYS  13          2HB       CYS  13   4.247   5.756  -5.051
   85    H    HIS  14           HN       HIS  14   6.199   4.449  -4.387
   86    HA   HIS  14           HA       HIS  14   7.037   5.360  -1.776
   87   1HB   HIS  14          1HB       HIS  14   6.510   2.731  -3.231
   88   2HB   HIS  14          2HB       HIS  14   7.205   2.759  -1.633
   89    HD1  HIS  14           HD1      HIS  14   5.846   4.145   0.251
   90    HD2  HIS  14           HD2      HIS  14   3.803   3.510  -3.332
   91    HE1  HIS  14           HE1      HIS  14   3.458   4.694   0.688
   92    H    GLY  15           H        GLY  15   8.613   4.291  -4.644
   93   1HA   GLY  15          2HA       GLY  15  10.912   4.778  -5.128
   94   2HA   GLY  15          1HA       GLY  15  11.320   4.585  -3.410
   95    H    ALA  16           H        ALA  16  12.431   2.702  -3.160
   96    HA   ALA  16           HA       ALA  16  11.564   0.242  -4.648
   97   1HB   ALA  16          2HB       ALA  16  14.315   1.020  -3.581
   98   2HB   ALA  16          3HB       ALA  16  13.877  -0.547  -4.295
   99   3HB   ALA  16          1HB       ALA  16  13.814   0.926  -5.279
  100    H    ASP  17           HN       ASP  17  13.367   1.076  -1.642
  101    HA   ASP  17           HA       ASP  17  12.131  -1.161  -0.216
  102   1HB   ASP  17          1HB       ASP  17  13.720  -0.695   1.475
  103   2HB   ASP  17          2HB       ASP  17  14.557  -0.795  -0.075
  104    H    GLY  18           H        GLY  18  10.232   0.444  -0.846
  105   1HA   GLY  18          2HA       GLY  18   8.664   2.086  -0.279
  106   2HA   GLY  18          1HA       GLY  18   8.489   0.917   1.029
  107    H    SER  19           H        SER  19  10.898   3.517   0.380
  108    HA   SER  19           HA       SER  19  10.476   4.505   3.174
  109   1HB   SER  19          2HB       SER  19  12.880   4.687   1.331
  110   2HB   SER  19          1HB       SER  19  12.745   5.450   2.928
  111    HG   SER  19           HG       SER  19  12.390   2.660   2.483
  112    H    LYS  20           HN       LYS  20   9.955   5.595  -0.160
  113    HA   LYS  20           HA       LYS  20  10.474   8.381   0.396
  114   1HB   LYS  20          2HB       LYS  20   8.723   7.009  -1.651
  115   2HB   LYS  20          1HB       LYS  20   8.892   8.759  -1.548
  116   1HG   LYS  20          2HG       LYS  20  11.267   8.647  -1.916
  117   2HG   LYS  20          1HG       LYS  20  11.228   6.863  -2.006
  118   1HD   LYS  20          2HD       LYS  20   9.698   7.035  -3.969
  119   2HD   LYS  20          1HD       LYS  20   9.719   8.795  -3.847
  120   1HE   LYS  20          2HE       LYS  20  12.177   8.770  -4.318
  121   2HE   LYS  20          1HE       LYS  20  12.116   7.001  -4.447
  122   1HZ   LYS  20          3HZ       LYS  20  10.493   7.306  -6.234
  123   2HZ   LYS  20          2HZ       LYS  20  10.710   8.931  -6.152
  124   3HZ   LYS  20          1HZ       LYS  20  11.969   7.962  -6.590
  125    H    ALA  21           H        ALA  21   9.389   9.648   1.786
  126    HA   ALA  21           HA       ALA  21   6.714   9.032   2.758
  127   1HB   ALA  21          3HB       ALA  21   8.556  11.441   3.132
  128   2HB   ALA  21          1HB       ALA  21   7.076  11.140   4.056
  129   3HB   ALA  21          2HB       ALA  21   8.444  10.026   4.203
  130    H    ALA  22           H        ALA  22   6.626   9.168   0.079
  131    HA   ALA  22           HA       ALA  22   6.643  11.149  -1.614
  132   1HB   ALA  22          2HB       ALA  22   6.170   8.822  -2.058
  133   2HB   ALA  22          1HB       ALA  22   4.497   9.016  -1.537
  134   3HB   ALA  22          3HB       ALA  22   5.124   9.929  -2.949
  135    H    MET  23           H        MET  23   3.361  10.711  -1.793
  136    HA   MET  23           HA       MET  23   2.949  13.485  -2.034
  137   1HB   MET  23          1HB       MET  23   0.899  11.290  -1.670
  138   2HB   MET  23          2HB       MET  23   0.523  12.973  -2.061
  139   1HG   MET  23          2HG       MET  23   1.919  12.836  -4.085
  140   2HG   MET  23          1HG       MET  23   2.226  11.136  -3.765
  141   1HE   MET  23          1HE       MET  23   0.029   9.447  -3.372
  142   2HE   MET  23          3HE       MET  23  -1.144  10.600  -2.708
  143   3HE   MET  23          2HE       MET  23  -1.506   9.731  -4.211
  144    H    GLY  24           H        GLY  24   3.774  14.518  -0.238
  145   1HA   GLY  24          1HA       GLY  24   3.299  16.019   1.438
  146   2HA   GLY  24          2HA       GLY  24   1.660  15.390   1.540
  147    H    SER  25           H        SER  25   4.975  14.127   2.176
  148    HA   SER  25           HA       SER  25   5.958  13.253   4.005
  149   1HB   SER  25          1HB       SER  25   3.901  14.819   5.605
  150   2HB   SER  25          2HB       SER  25   5.466  14.205   6.156
  151    HG   SER  25           HG       SER  25   6.431  15.558   4.511
  152    H    ALA  26           H        ALA  26   4.634  11.403   2.914
  153    HA   ALA  26           HA       ALA  26   2.581  10.090   4.508
  154   1HB   ALA  26          2HB       ALA  26   4.453   9.076   2.313
  155   2HB   ALA  26          1HB       ALA  26   3.114   8.158   2.986
  156   3HB   ALA  26          3HB       ALA  26   2.802   9.680   2.110
  157    H    LYS  27           HN       LYS  27   2.855   8.289   6.014
  158    HA   LYS  27           HA       LYS  27   5.405   8.163   7.349
  159   1HB   LYS  27          1HB       LYS  27   3.623   5.749   7.419
  160   2HB   LYS  27          2HB       LYS  27   4.593   6.474   8.694
  161   1HG   LYS  27          2HG       LYS  27   2.864   8.387   8.726
  162   2HG   LYS  27          1HG       LYS  27   1.929   7.354   7.612
  163   1HD   LYS  27          1HD       LYS  27   1.987   5.497   9.264
  164   2HD   LYS  27          2HD       LYS  27   2.780   6.584  10.418
  165   1HE   LYS  27          1HE       LYS  27   0.394   6.488  10.894
  166   2HE   LYS  27          2HE       LYS  27   0.789   8.111  10.301
  167   1HZ   LYS  27          2HZ       LYS  27  -0.340   5.943   8.652
  168   2HZ   LYS  27          3HZ       LYS  27  -1.213   7.169   9.321
  169   3HZ   LYS  27          1HZ       LYS  27  -0.083   7.490   8.173
  170    HA   PRO  28           HA       PRO  28   7.359   5.523   4.306
  171   1HB   PRO  28          2HB       PRO  28   9.325   4.223   5.761
  172   2HB   PRO  28          1HB       PRO  28   9.426   5.957   5.330
  173   1HG   PRO  28          2HG       PRO  28   8.422   4.755   7.927
  174   2HG   PRO  28          1HG       PRO  28   9.610   6.077   7.725
  175   1HD   PRO  28          2HD       PRO  28   6.984   6.575   8.238
  176   2HD   PRO  28          1HD       PRO  28   7.894   7.619   7.104
  177    H    VAL  29           H        VAL  29   7.246   3.345   3.615
  178    HA   VAL  29           HA       VAL  29   5.153   1.827   5.073
  179    HB   VAL  29           HB       VAL  29   6.142   1.511   2.215
  180   1HG1  VAL  29          3HG2      VAL  29   3.590   0.661   3.655
  181   2HG1  VAL  29          1HG2      VAL  29   3.898   0.490   1.922
  182   3HG1  VAL  29          2HG2      VAL  29   4.878  -0.432   3.074
  183   1HG2  VAL  29          2HG1      VAL  29   4.005   3.269   3.480
  184   2HG2  VAL  29          1HG1      VAL  29   5.276   3.749   2.346
  185   3HG2  VAL  29          3HG1      VAL  29   3.918   2.734   1.799
  186    H    LYS  30           HN       LYS  30   8.469   1.666   4.007
  187    HA   LYS  30           HA       LYS  30   9.282  -0.855   3.923
  188   1HB   LYS  30          2HB       LYS  30  10.646   1.251   3.934
  189   2HB   LYS  30          1HB       LYS  30  10.664   1.196   5.698
  190   1HG   LYS  30          1HG       LYS  30  11.621  -1.180   5.471
  191   2HG   LYS  30          2HG       LYS  30  11.775  -0.865   3.735
  192   1HD   LYS  30          2HD       LYS  30  13.199   1.147   4.290
  193   2HD   LYS  30          1HD       LYS  30  13.134   0.666   5.997
  194   1HE   LYS  30          1HE       LYS  30  14.322  -0.907   3.663
  195   2HE   LYS  30          2HE       LYS  30  15.207  -0.165   5.004
  196   1HZ   LYS  30          3HZ       LYS  30  14.032  -1.733   6.457
  197   2HZ   LYS  30          2HZ       LYS  30  13.330  -2.428   5.129
  198   3HZ   LYS  30          1HZ       LYS  30  14.959  -2.493   5.319
  199    H    GLY  31           H        GLY  31   8.260  -2.471   5.052
  200   1HA   GLY  31          2HA       GLY  31   7.667  -3.823   6.709
  201   2HA   GLY  31          1HA       GLY  31   9.148  -3.307   7.498
  202    H    GLN  32           H        GLN  32   6.047  -1.366   7.034
  203    HA   GLN  32           HA       GLN  32   6.028  -0.444   9.689
  204   1HB   GLN  32          1HB       GLN  32   3.363  -1.134   8.402
  205   2HB   GLN  32          2HB       GLN  32   3.769   0.148   9.535
  206   1HG   GLN  32          2HG       GLN  32   5.285   1.042   7.660
  207   2HG   GLN  32          1HG       GLN  32   4.381  -0.047   6.598
  208   1HE2  GLN  32          1HE2      GLN  32   2.738   3.461   6.696
  209   2HE2  GLN  32          2HE2      GLN  32   4.446   3.078   6.823
  210    H    GLY  33           H        GLY  33   4.380  -3.076   8.414
  211   1HA   GLY  33          1HA       GLY  33   5.157  -5.299   9.791
  212   2HA   GLY  33          2HA       GLY  33   3.876  -4.710  10.865
  213    H    ALA  34           H        ALA  34   3.759  -7.160   9.390
  214    HA   ALA  34           HA       ALA  34   2.199  -6.879   7.057
  215   1HB   ALA  34          3HB       ALA  34   3.359  -8.931   7.754
  216   2HB   ALA  34          1HB       ALA  34   2.200  -9.127   9.091
  217   3HB   ALA  34          2HB       ALA  34   1.640  -9.215   7.394
  218    H    GLU  35           HN       GLU  35   1.146  -7.108  10.455
  219    HA   GLU  35           HA       GLU  35  -1.656  -7.242   9.861
  220   1HB   GLU  35          2HB       GLU  35  -0.685  -7.867  12.049
  221   2HB   GLU  35          1HB       GLU  35  -0.249  -6.175  12.355
  222   1HG   GLU  35          1HG       GLU  35  -2.637  -5.535  12.315
  223   2HG   GLU  35          2HG       GLU  35  -3.088  -7.193  11.880
  224    H    GLU  36           HN       GLU  36   0.533  -4.465  10.722
  225    HA   GLU  36           HA       GLU  36  -1.232  -2.361  10.677
  226   1HB   GLU  36          2HB       GLU  36   1.726  -2.834   9.973
  227   2HB   GLU  36          1HB       GLU  36   1.010  -1.270  10.034
  228   1HG   GLU  36          2HG       GLU  36   1.113  -3.209  12.383
  229   2HG   GLU  36          1HG       GLU  36   2.254  -1.894  12.078
  230    H    LEU  37           H        LEU  37   0.938  -3.572   8.118
  231    HA   LEU  37           HA       LEU  37   0.055  -1.891   6.024
  232   1HB   LEU  37          1HB       LEU  37   1.315  -4.668   6.105
  233   2HB   LEU  37          2HB       LEU  37   1.044  -3.814   4.598
  234    HG   LEU  37           HG       LEU  37   2.677  -2.544   6.816
  235   1HD1  LEU  37          3HD2      LEU  37   3.629  -4.326   4.545
  236   2HD1  LEU  37          2HD2      LEU  37   4.685  -3.373   5.616
  237   3HD1  LEU  37          1HD2      LEU  37   3.730  -4.709   6.265
  238   1HD2  LEU  37          1HD1      LEU  37   2.506  -2.124   3.805
  239   2HD2  LEU  37          3HD1      LEU  37   1.944  -1.004   5.074
  240   3HD2  LEU  37          2HD1      LEU  37   3.670  -1.348   4.888
  241    H    TYR  38           HN       TYR  38  -0.884  -5.380   6.555
  242    HA   TYR  38           HA       TYR  38  -2.804  -5.573   4.633
  243   1HB   TYR  38          2HB       TYR  38  -2.159  -7.461   5.998
  244   2HB   TYR  38          1HB       TYR  38  -2.898  -6.732   7.425
  245    HD1  TYR  38           HE2      TYR  38  -3.795  -7.709   3.891
  246    HD2  TYR  38           HD1      TYR  38  -5.137  -7.294   7.966
  247    HE1  TYR  38           HE1      TYR  38  -5.987  -8.675   3.265
  248    HE2  TYR  38           HD2      TYR  38  -7.334  -8.254   7.332
  249    HH   TYR  38           HH       TYR  38  -7.966  -9.615   4.116
  250    H    LYS  39           HN       LYS  39  -3.407  -4.334   7.932
  251    HA   LYS  39           HA       LYS  39  -6.168  -3.738   7.468
  252   1HB   LYS  39          1HB       LYS  39  -4.122  -2.511   9.366
  253   2HB   LYS  39          2HB       LYS  39  -5.833  -2.103   9.398
  254   1HG   LYS  39          2HG       LYS  39  -4.748  -4.939   9.767
  255   2HG   LYS  39          1HG       LYS  39  -5.091  -3.818  11.088
  256   1HD   LYS  39          1HD       LYS  39  -7.481  -3.705  10.346
  257   2HD   LYS  39          2HD       LYS  39  -7.128  -4.917   9.093
  258   1HE   LYS  39          1HE       LYS  39  -6.396  -6.522  10.841
  259   2HE   LYS  39          2HE       LYS  39  -6.774  -5.326  12.096
  260   1HZ   LYS  39          2HZ       LYS  39  -9.049  -5.382  11.374
  261   2HZ   LYS  39          1HZ       LYS  39  -8.697  -6.495  10.210
  262   3HZ   LYS  39          3HZ       LYS  39  -8.535  -6.887  11.802
  263    H    LYS  40           HN       LYS  40  -3.246  -1.696   7.037
  264    HA   LYS  40           HA       LYS  40  -4.652   0.640   6.212
  265   1HB   LYS  40          2HB       LYS  40  -1.835  -0.321   5.639
  266   2HB   LYS  40          1HB       LYS  40  -2.411   1.271   5.273
  267   1HG   LYS  40          2HG       LYS  40  -2.552   0.141   8.110
  268   2HG   LYS  40          1HG       LYS  40  -1.082   0.869   7.453
  269   1HD   LYS  40          2HD       LYS  40  -2.421   2.942   7.021
  270   2HD   LYS  40          1HD       LYS  40  -3.800   2.200   7.856
  271   1HE   LYS  40          1HE       LYS  40  -2.418   1.935   9.907
  272   2HE   LYS  40          2HE       LYS  40  -1.008   2.601   9.058
  273   1HZ   LYS  40          2HZ       LYS  40  -2.199   4.646   8.792
  274   2HZ   LYS  40          1HZ       LYS  40  -3.491   4.046   9.623
  275   3HZ   LYS  40          3HZ       LYS  40  -2.042   4.245  10.387
  276    H    MET  41           H        MET  41  -3.011  -1.854   4.063
  277    HA   MET  41           HA       MET  41  -4.085  -0.664   1.709
  278   1HB   MET  41          1HB       MET  41  -3.764  -3.093   0.733
  279   2HB   MET  41          2HB       MET  41  -2.484  -1.928   0.966
  280   1HG   MET  41          2HG       MET  41  -2.922  -3.857   3.182
  281   2HG   MET  41          1HG       MET  41  -2.187  -4.514   1.729
  282   1HE   MET  41          1HE       MET  41  -0.585  -3.027   0.327
  283   2HE   MET  41          2HE       MET  41   0.726  -2.077   1.058
  284   3HE   MET  41          3HE       MET  41   0.783  -3.844   1.138
  285    H    LYS  42           HN       LYS  42  -5.509  -3.180   3.855
  286    HA   LYS  42           HA       LYS  42  -7.743  -3.692   2.158
  287   1HB   LYS  42          2HB       LYS  42  -7.057  -5.055   4.142
  288   2HB   LYS  42          1HB       LYS  42  -7.610  -3.745   5.193
  289   1HG   LYS  42          1HG       LYS  42  -9.930  -4.072   3.956
  290   2HG   LYS  42          2HG       LYS  42  -9.188  -5.524   3.292
  291   1HD   LYS  42          1HD       LYS  42 -10.169  -6.464   5.133
  292   2HD   LYS  42          2HD       LYS  42  -8.634  -6.016   5.878
  293   1HE   LYS  42          2HE       LYS  42 -11.285  -4.480   5.974
  294   2HE   LYS  42          1HE       LYS  42 -10.526  -5.358   7.310
  295   1HZ   LYS  42          3HZ       LYS  42  -8.716  -3.774   7.209
  296   2HZ   LYS  42          2HZ       LYS  42  -9.471  -2.956   5.994
  297   3HZ   LYS  42          1HZ       LYS  42 -10.161  -3.025   7.486
  298    H    GLY  43           H        GLY  43  -7.195  -1.293   4.782
  299   1HA   GLY  43          2HA       GLY  43  -9.684  -0.020   4.788
  300   2HA   GLY  43          1HA       GLY  43  -8.133   0.706   5.237
  301    H    TYR  44           H        TYR  44  -6.731   0.756   2.899
  302    HA   TYR  44           HA       TYR  44  -7.781   2.931   1.419
  303   1HB   TYR  44          1HB       TYR  44  -5.646   0.864   0.771
  304   2HB   TYR  44          2HB       TYR  44  -6.071   2.148  -0.359
  305    HD1  TYR  44           HD2      TYR  44  -6.265   4.575   1.139
  306    HD2  TYR  44           HD1      TYR  44  -3.380   1.389   1.308
  307    HE1  TYR  44           HE2      TYR  44  -4.695   6.057   2.318
  308    HE2  TYR  44           HE1      TYR  44  -1.701   2.985   2.184
  309    HH   TYR  44           HH       TYR  44  -1.266   5.140   2.766
  310    H    ALA  45           H        ALA  45  -7.670  -0.577   0.552
  311    HA   ALA  45           HA       ALA  45  -9.048  -0.384  -1.894
  312   1HB   ALA  45          3HB       ALA  45  -7.836  -2.389  -1.126
  313   2HB   ALA  45          1HB       ALA  45  -9.071  -2.681   0.112
  314   3HB   ALA  45          2HB       ALA  45  -9.496  -2.782  -1.605
  315    H    ASP  46           HN       ASP  46 -10.414  -0.895   1.399
  316    HA   ASP  46           HA       ASP  46 -13.134  -1.086   0.637
  317   1HB   ASP  46          1HB       ASP  46 -11.806   0.001   3.172
  318   2HB   ASP  46          2HB       ASP  46 -13.506  -0.406   2.998
  319    H    GLY  47           H        GLY  47 -10.965   1.659   1.279
  320   1HA   GLY  47          1HA       GLY  47 -11.173   3.835   0.487
  321   2HA   GLY  47          2HA       GLY  47 -12.881   3.578   0.087
  322    H    SER  48           H        SER  48 -11.511   2.540   3.192
  323    HA   SER  48           HA       SER  48 -13.210   4.509   4.655
  324   1HB   SER  48          1HB       SER  48 -12.563   2.978   6.580
  325   2HB   SER  48          2HB       SER  48 -13.549   2.227   5.308
  326    HG   SER  48           HG       SER  48 -11.814   0.868   5.785
  327    H    TYR  49           H        TYR  49 -10.056   2.945   4.982
  328    HA   TYR  49           HA       TYR  49  -8.787   5.306   6.173
  329   1HB   TYR  49          1HB       TYR  49  -8.134   2.942   6.721
  330   2HB   TYR  49          2HB       TYR  49  -7.498   2.769   5.084
  331    HD1  TYR  49           HD1      TYR  49  -7.138   4.741   8.231
  332    HD2  TYR  49           HD2      TYR  49  -5.255   3.432   4.579
  333    HE1  TYR  49           HE1      TYR  49  -5.028   5.840   8.909
  334    HE2  TYR  49           HE2      TYR  49  -3.173   4.583   5.234
  335    HH   TYR  49           HH       TYR  49  -2.115   5.976   6.868
  336    H    GLY  50           H        GLY  50  -9.629   6.674   4.232
  337   1HA   GLY  50          1HA       GLY  50  -7.377   7.148   2.451
  338   2HA   GLY  50          2HA       GLY  50  -8.789   6.453   1.623
  339    H    GLY  51           H        GLY  51  -7.962   8.936   0.868
  340   1HA   GLY  51          2HA       GLY  51 -10.137  10.568   0.826
  341   2HA   GLY  51          1HA       GLY  51  -9.253  11.095   2.281
  342    H    GLU  52           HN       GLU  52  -9.543  12.740   0.029
  343    HA   GLU  52           HA       GLU  52  -8.537  13.763  -1.733
  344   1HB   GLU  52          1HB       GLU  52  -6.563  15.087  -0.812
  345   2HB   GLU  52          2HB       GLU  52  -8.090  15.184   0.041
  346   1HG   GLU  52          1HG       GLU  52  -7.376  13.772   1.829
  347   2HG   GLU  52          2HG       GLU  52  -5.890  13.306   1.003
  348    H    ARG  53           HN       ARG  53  -5.290  13.435  -0.871
  349    HA   ARG  53           HA       ARG  53  -4.438  12.648  -3.386
  350   1HB   ARG  53          1HB       ARG  53  -2.301  12.646  -2.376
  351   2HB   ARG  53          2HB       ARG  53  -3.226  13.850  -1.494
  352   1HG   ARG  53          1HG       ARG  53  -3.715  11.975   0.248
  353   2HG   ARG  53          2HG       ARG  53  -2.488  11.030  -0.619
  354   1HD   ARG  53          1HD       ARG  53  -1.244  11.943   1.022
  355   2HD   ARG  53          2HD       ARG  53  -0.983  13.142  -0.264
  356    HE   ARG  53           HE       ARG  53  -3.164  14.113   1.149
  357   1HH1  ARG  53          2HH2      ARG  53   0.164  13.238   1.932
  358   2HH1  ARG  53          1HH2      ARG  53   0.267  14.196   3.371
  359   1HH2  ARG  53          2HH1      ARG  53  -3.101  15.409   2.941
  360   2HH2  ARG  53          1HH1      ARG  53  -1.677  15.518   3.965
  361    H    LYS  54           HN       LYS  54  -5.462  10.637  -0.668
  362    HA   LYS  54           HA       LYS  54  -4.051   8.266  -1.612
  363   1HB   LYS  54          1HB       LYS  54  -6.100   8.423   0.609
  364   2HB   LYS  54          2HB       LYS  54  -4.844   7.221   0.338
  365   1HG   LYS  54          2HG       LYS  54  -3.155   9.181   0.596
  366   2HG   LYS  54          1HG       LYS  54  -4.545  10.128   1.187
  367   1HD   LYS  54          1HD       LYS  54  -4.859   8.357   2.974
  368   2HD   LYS  54          2HD       LYS  54  -3.282   7.702   2.454
  369   1HE   LYS  54          1HE       LYS  54  -2.211   9.887   2.906
  370   2HE   LYS  54          2HE       LYS  54  -3.767  10.530   3.464
  371   1HZ   LYS  54          1HZ       LYS  54  -3.769   8.860   5.177
  372   2HZ   LYS  54          3HZ       LYS  54  -2.311   8.278   4.679
  373   3HZ   LYS  54          2HZ       LYS  54  -2.424   9.804   5.276
  374    H    ALA  55           H        ALA  55  -6.907   9.828  -2.620
  375    HA   ALA  55           HA       ALA  55  -8.740   7.749  -3.005
  376   1HB   ALA  55          3HB       ALA  55  -8.085  10.091  -4.841
  377   2HB   ALA  55          1HB       ALA  55  -9.561   9.103  -4.901
  378   3HB   ALA  55          2HB       ALA  55  -9.225  10.104  -3.475
  379    H    MET  56           H        MET  56  -5.887   8.637  -4.939
  380    HA   MET  56           HA       MET  56  -6.285   6.853  -7.124
  381   1HB   MET  56          1HB       MET  56  -3.687   7.947  -5.926
  382   2HB   MET  56          2HB       MET  56  -3.841   7.087  -7.465
  383   1HG   MET  56          1HG       MET  56  -3.829   9.302  -8.129
  384   2HG   MET  56          2HG       MET  56  -5.544   8.894  -8.140
  385   1HE   MET  56          1HE       MET  56  -5.292  11.714  -8.507
  386   2HE   MET  56          3HE       MET  56  -6.826  11.041  -7.894
  387   3HE   MET  56          2HE       MET  56  -6.127  12.493  -7.141
  388    H    MET  57           H        MET  57  -4.591   6.457  -4.005
  389    HA   MET  57           HA       MET  57  -3.612   3.812  -4.452
  390   1HB   MET  57          1HB       MET  57  -3.750   5.770  -2.277
  391   2HB   MET  57          2HB       MET  57  -4.132   4.156  -1.675
  392   1HG   MET  57          2HG       MET  57  -2.068   3.281  -2.746
  393   2HG   MET  57          1HG       MET  57  -1.678   4.924  -3.281
  394   1HE   MET  57          3HE       MET  57  -2.958   6.149  -0.251
  395   2HE   MET  57          2HE       MET  57  -1.435   6.461   0.568
  396   3HE   MET  57          1HE       MET  57  -1.640   6.979  -1.120
  397    H    THR  58           H        THR  58  -6.509   5.076  -2.737
  398    HA   THR  58           HA       THR  58  -7.743   2.668  -2.137
  399    HB   THR  58           HB       THR  58  -8.815   5.414  -2.820
  400    HG1  THR  58           HG1      THR  58  -8.940   3.789  -0.517
  401   1HG2  THR  58          1HG2      THR  58 -10.543   2.986  -2.198
  402   2HG2  THR  58          2HG2      THR  58 -11.056   4.675  -2.003
  403   3HG2  THR  58          3HG2      THR  58 -10.643   4.063  -3.606
  404    H    ASN  59           H        ASN  59  -8.188   4.499  -5.247
  405    HA   ASN  59           HA       ASN  59  -9.786   2.493  -6.440
  406   1HB   ASN  59          2HB       ASN  59  -9.413   4.781  -7.340
  407   2HB   ASN  59          1HB       ASN  59  -7.793   4.303  -7.851
  408   1HD2  ASN  59          1HD2      ASN  59  -9.924   1.911 -10.157
  409   2HD2  ASN  59          2HD2      ASN  59  -9.366   1.404  -8.577
  410    H    ALA  60           H        ALA  60  -6.185   2.867  -6.461
  411    HA   ALA  60           HA       ALA  60  -5.630   0.745  -8.218
  412   1HB   ALA  60          2HB       ALA  60  -3.965   2.414  -7.494
  413   2HB   ALA  60          1HB       ALA  60  -3.934   1.700  -5.871
  414   3HB   ALA  60          3HB       ALA  60  -3.384   0.755  -7.267
  415    H    VAL  61           H        VAL  61  -5.617   0.586  -4.581
  416    HA   VAL  61           HA       VAL  61  -5.380  -2.315  -4.740
  417    HB   VAL  61           HB       VAL  61  -5.784  -2.262  -2.286
  418   1HG1  VAL  61          2HG2      VAL  61  -3.540  -2.367  -3.252
  419   2HG1  VAL  61          1HG2      VAL  61  -3.485  -0.594  -3.369
  420   3HG1  VAL  61          3HG2      VAL  61  -3.564  -1.382  -1.777
  421   1HG2  VAL  61          1HG1      VAL  61  -6.909   0.140  -2.436
  422   2HG2  VAL  61          3HG1      VAL  61  -5.903  -0.348  -1.055
  423   3HG2  VAL  61          2HG1      VAL  61  -5.223   0.689  -2.306
  424    H    LYS  62           HN       LYS  62  -8.199  -0.152  -4.717
  425    HA   LYS  62           HA       LYS  62 -10.098  -2.063  -3.844
  426   1HB   LYS  62          1HB       LYS  62 -10.572   0.316  -4.152
  427   2HB   LYS  62          2HB       LYS  62 -10.460   0.129  -5.919
  428   1HG   LYS  62          1HG       LYS  62 -12.387  -1.506  -5.754
  429   2HG   LYS  62          2HG       LYS  62 -12.482  -1.158  -4.026
  430   1HD   LYS  62          1HD       LYS  62 -12.839   0.831  -6.326
  431   2HD   LYS  62          2HD       LYS  62 -14.143   0.109  -5.381
  432   1HE   LYS  62          1HE       LYS  62 -12.019   2.032  -4.316
  433   2HE   LYS  62          2HE       LYS  62 -13.709   2.409  -4.664
  434   1HZ   LYS  62          1HZ       LYS  62 -14.345   0.820  -2.980
  435   2HZ   LYS  62          3HZ       LYS  62 -12.762   0.525  -2.625
  436   3HZ   LYS  62          2HZ       LYS  62 -13.399   2.015  -2.357
  437    H    LYS  63           HN       LYS  63  -8.328  -1.778  -6.920
  438    HA   LYS  63           HA       LYS  63 -10.028  -3.679  -8.293
  439   1HB   LYS  63          2HB       LYS  63  -7.572  -2.146  -8.929
  440   2HB   LYS  63          1HB       LYS  63  -7.717  -3.711  -9.725
  441   1HG   LYS  63          2HG       LYS  63  -8.683  -1.896 -11.065
  442   2HG   LYS  63          1HG       LYS  63  -9.849  -3.170 -10.681
  443   1HD   LYS  63          1HD       LYS  63 -10.888  -1.764  -8.943
  444   2HD   LYS  63          2HD       LYS  63  -9.624  -0.547  -9.154
  445   1HE   LYS  63          1HE       LYS  63 -10.419  -0.091 -11.447
  446   2HE   LYS  63          2HE       LYS  63 -11.569  -1.436 -11.342
  447   1HZ   LYS  63          1HZ       LYS  63 -11.655   0.961  -9.650
  448   2HZ   LYS  63          2HZ       LYS  63 -12.614   0.668 -10.958
  449   3HZ   LYS  63          3HZ       LYS  63 -12.720  -0.293  -9.626
  450    H    ALA  64           H        ALA  64  -7.785  -4.092  -5.777
  451    HA   ALA  64           HA       ALA  64  -6.802  -6.820  -6.507
  452   1HB   ALA  64          3HB       ALA  64  -5.449  -4.908  -5.392
  453   2HB   ALA  64          1HB       ALA  64  -6.379  -5.309  -3.929
  454   3HB   ALA  64          2HB       ALA  64  -5.368  -6.526  -4.717
  455    H    SER  65           H        SER  65  -6.897  -8.014  -4.144
  456    HA   SER  65           HA       SER  65  -9.453  -7.947  -2.806
  457   1HB   SER  65          2HB       SER  65  -8.884 -10.208  -4.775
  458   2HB   SER  65          1HB       SER  65  -9.968 -10.407  -3.402
  459    HG   SER  65           HG       SER  65 -10.303  -8.186  -5.091
  460    H    ASP  66           HN       ASP  66  -9.469 -10.047  -1.295
  461    HA   ASP  66           HA       ASP  66  -7.621  -9.549   0.599
  462   1HB   ASP  66          2HB       ASP  66  -9.678 -10.867   0.946
  463   2HB   ASP  66          1HB       ASP  66  -8.930 -12.253   0.128
  464    H    GLU  67           HN       GLU  67  -7.147 -12.304  -1.727
  465    HA   GLU  67           HA       GLU  67  -4.843 -13.336  -0.706
  466   1HB   GLU  67          1HB       GLU  67  -5.240 -13.018  -3.712
  467   2HB   GLU  67          2HB       GLU  67  -4.643 -14.332  -2.720
  468   1HG   GLU  67          1HG       GLU  67  -6.608 -15.227  -3.397
  469   2HG   GLU  67          2HG       GLU  67  -7.065 -14.584  -1.821
  470    H    GLU  68           HN       GLU  68  -5.226 -10.789  -3.117
  471    HA   GLU  68           HA       GLU  68  -2.508 -10.174  -3.562
  472   1HB   GLU  68          1HB       GLU  68  -4.924  -8.379  -3.782
  473   2HB   GLU  68          2HB       GLU  68  -3.403  -8.188  -4.606
  474   1HG   GLU  68          1HG       GLU  68  -4.597  -9.089  -6.282
  475   2HG   GLU  68          2HG       GLU  68  -4.014 -10.631  -5.594
  476    H    LEU  69           H        LEU  69  -5.008  -8.587  -1.385
  477    HA   LEU  69           HA       LEU  69  -3.410  -6.511  -0.452
  478   1HB   LEU  69          2HB       LEU  69  -5.772  -8.111   0.609
  479   2HB   LEU  69          1HB       LEU  69  -5.142  -6.699   1.403
  480    HG   LEU  69           HG       LEU  69  -6.129  -6.628  -1.476
  481   1HD1  LEU  69          2HD2      LEU  69  -7.613  -5.925   1.094
  482   2HD1  LEU  69          3HD2      LEU  69  -8.202  -5.634  -0.557
  483   3HD1  LEU  69          1HD2      LEU  69  -7.983  -7.289   0.025
  484   1HD2  LEU  69          3HD1      LEU  69  -5.639  -4.431   0.564
  485   2HD2  LEU  69          2HD1      LEU  69  -4.651  -4.738  -0.888
  486   3HD2  LEU  69          1HD1      LEU  69  -6.326  -4.212  -1.056
  487    H    LYS  70           HN       LYS  70  -3.966  -9.803   0.912
  488    HA   LYS  70           HA       LYS  70  -2.319  -9.446   3.232
  489   1HB   LYS  70          1HB       LYS  70  -3.080 -11.902   1.609
  490   2HB   LYS  70          2HB       LYS  70  -2.165 -11.973   3.133
  491   1HG   LYS  70          1HG       LYS  70  -4.047 -10.782   4.279
  492   2HG   LYS  70          2HG       LYS  70  -4.992 -10.894   2.793
  493   1HD   LYS  70          1HD       LYS  70  -3.999 -13.195   4.539
  494   2HD   LYS  70          2HD       LYS  70  -5.656 -12.632   4.307
  495   1HE   LYS  70          1HE       LYS  70  -5.642 -14.485   2.934
  496   2HE   LYS  70          2HE       LYS  70  -5.270 -13.205   1.771
  497   1HZ   LYS  70          1HZ       LYS  70  -3.342 -14.999   3.091
  498   2HZ   LYS  70          2HZ       LYS  70  -3.847 -15.101   1.527
  499   3HZ   LYS  70          3HZ       LYS  70  -2.939 -13.820   2.017
  500    H    ALA  71           H        ALA  71  -1.612 -10.837  -0.030
  501    HA   ALA  71           HA       ALA  71   1.126 -11.272   0.568
  502   1HB   ALA  71          2HB       ALA  71  -0.108 -12.355  -1.291
  503   2HB   ALA  71          3HB       ALA  71  -0.238 -10.780  -2.105
  504   3HB   ALA  71          1HB       ALA  71   1.359 -11.543  -1.879
  505    H    LEU  72           H        LEU  72  -0.517  -8.269  -0.581
  506    HA   LEU  72           HA       LEU  72   1.801  -6.870  -1.395
  507   1HB   LEU  72          2HB       LEU  72  -1.116  -6.505  -0.821
  508   2HB   LEU  72          1HB       LEU  72  -0.187  -5.183  -0.361
  509    HG   LEU  72           HG       LEU  72  -0.170  -6.436  -3.145
  510   1HD1  LEU  72          2HD2      LEU  72  -1.671  -4.014  -2.061
  511   2HD1  LEU  72          1HD2      LEU  72  -1.583  -4.467  -3.773
  512   3HD1  LEU  72          3HD2      LEU  72  -2.381  -5.545  -2.615
  513   1HD2  LEU  72          1HD1      LEU  72   0.862  -3.760  -2.156
  514   2HD2  LEU  72          3HD1      LEU  72   1.892  -5.092  -2.724
  515   3HD2  LEU  72          2HD1      LEU  72   0.830  -4.244  -3.856
  516    H    ALA  73           H        ALA  73  -0.113  -7.025   1.647
  517    HA   ALA  73           HA       ALA  73   1.605  -5.434   3.206
  518   1HB   ALA  73          1HB       ALA  73  -0.628  -6.147   3.923
  519   2HB   ALA  73          3HB       ALA  73  -0.095  -7.832   4.055
  520   3HB   ALA  73          2HB       ALA  73   0.587  -6.614   5.135
  521    H    ASP  74           HN       ASP  74   1.596  -9.033   2.914
  522    HA   ASP  74           HA       ASP  74   3.868  -9.586   4.390
  523   1HB   ASP  74          2HB       ASP  74   3.044 -10.967   1.806
  524   2HB   ASP  74          1HB       ASP  74   4.141 -11.613   3.025
  525    H    TYR  75           H        TYR  75   3.813  -8.593   0.891
  526    HA   TYR  75           HA       TYR  75   6.587  -8.836   0.473
  527   1HB   TYR  75          1HB       TYR  75   4.732  -8.367  -1.205
  528   2HB   TYR  75          2HB       TYR  75   4.794  -6.682  -0.733
  529    HD1  TYR  75           HD2      TYR  75   7.072  -5.430  -0.976
  530    HD2  TYR  75           HD1      TYR  75   6.224  -9.238  -2.824
  531    HE1  TYR  75           HE2      TYR  75   8.993  -5.125  -2.492
  532    HE2  TYR  75           HE1      TYR  75   8.106  -8.879  -4.401
  533    HH   TYR  75           HH       TYR  75  10.205  -5.996  -4.248
  534    H    MET  76           H        MET  76   4.746  -5.821   1.349
  535    HA   MET  76           HA       MET  76   7.038  -4.228   1.807
  536   1HB   MET  76          2HB       MET  76   4.053  -4.149   2.173
  537   2HB   MET  76          1HB       MET  76   5.011  -3.063   3.150
  538   1HG   MET  76          1HG       MET  76   5.963  -1.989   1.272
  539   2HG   MET  76          2HG       MET  76   5.607  -3.353   0.207
  540   1HE   MET  76          3HE       MET  76   3.969  -3.589  -1.274
  541   2HE   MET  76          2HE       MET  76   2.546  -3.805  -0.247
  542   3HE   MET  76          1HE       MET  76   2.555  -2.541  -1.503
  543    H    SER  77           H        SER  77   5.484  -6.568   3.966
  544    HA   SER  77           HA       SER  77   6.607  -5.648   6.380
  545   1HB   SER  77          2HB       SER  77   5.898  -8.455   5.466
  546   2HB   SER  77          1HB       SER  77   6.191  -7.904   7.103
  547    HG   SER  77           HG       SER  77   4.189  -6.845   5.412
  548    H    LYS  78           HN       LYS  78   8.202  -7.024   3.573
  549    HA   LYS  78           HA       LYS  78  10.648  -7.576   5.187
  550   1HB   LYS  78          1HB       LYS  78   9.411  -9.731   4.722
  551   2HB   LYS  78          2HB       LYS  78   9.566  -9.395   2.990
  552   1HG   LYS  78          1HG       LYS  78  12.065  -9.337   3.289
  553   2HG   LYS  78          2HG       LYS  78  11.845  -9.746   5.002
  554   1HD   LYS  78          1HD       LYS  78  10.692 -11.858   4.330
  555   2HD   LYS  78          2HD       LYS  78  10.945 -11.451   2.625
  556   1HE   LYS  78          1HE       LYS  78  13.145 -11.922   4.700
  557   2HE   LYS  78          2HE       LYS  78  12.636 -13.065   3.447
  558   1HZ   LYS  78          1HZ       LYS  78  13.310 -11.457   1.800
  559   2HZ   LYS  78          2HZ       LYS  78  13.833 -10.425   2.975
  560   3HZ   LYS  78          3HZ       LYS  78  14.568 -11.884   2.776
  561    H    LEU  79           H        LEU  79  10.548  -5.185   4.320
  562    HA   LEU  79           HA       LEU  79  11.752  -5.018   1.667
  563   1HB   LEU  79          1HB       LEU  79   9.192  -4.702   1.927
  564   2HB   LEU  79          2HB       LEU  79   9.564  -3.382   3.024
  565    HG   LEU  79           HG       LEU  79  10.687  -2.178   1.429
  566   1HD1  LEU  79          3HD1      LEU  79  10.192  -4.509  -0.477
  567   2HD1  LEU  79          2HD1      LEU  79  10.526  -2.882  -1.102
  568   3HD1  LEU  79          1HD1      LEU  79  11.742  -3.710  -0.124
  569   1HD2  LEU  79          3HD2      LEU  79   8.201  -2.062   1.622
  570   2HD2  LEU  79          2HD2      LEU  79   8.778  -1.520   0.031
  571   3HD2  LEU  79          1HD2      LEU  79   8.078  -3.141   0.200
  572    HHA  HEC   1           HHA      HEM   1   1.883   5.224   3.298
  573    HHB  HEC   1           HHB      HEM   1   0.051  -0.050   0.236
  574    HHC  HEC   1           HHC      HEM   1   0.838   3.070  -5.300
  575    HHD  HEC   1           HHD      HEM   1   1.572   8.542  -1.987
  576   1HMA  HEC   1          1HMA      HEM   1   0.133   0.299   4.048
  577   2HMA  HEC   1          2HMA      HEM   1   1.038  -0.528   2.759
  578   3HMA  HEC   1          3HMA      HEM   1  -0.685  -0.103   2.535
  579   1HAA  HEC   1          1HAA      HEM   1   2.113   3.521   4.641
  580   2HAA  HEC   1          2HAA      HEM   1   1.556   1.900   4.976
  581   1HBA  HEC   1          1HBA      HEM   1  -0.584   3.953   4.521
  582   2HBA  HEC   1          2HBA      HEM   1  -0.559   2.541   5.572
  583   1HMB  HEC   1          1HMB      HEM   1   0.466  -1.528  -1.453
  584   2HMB  HEC   1          2HMB      HEM   1  -1.236  -1.220  -1.841
  585   3HMB  HEC   1          3HMB      HEM   1  -0.101  -1.741  -3.102
  586    HAB  HEC   1           HAB      HEM   1   0.460   1.093  -5.811
  587   1HBB  HEC   1          1HBB      HEM   1  -1.877   0.440  -5.352
  588   2HBB  HEC   1          2HBB      HEM   1  -1.013  -0.645  -6.464
  589   3HBB  HEC   1          3HBB      HEM   1  -1.311  -1.143  -4.796
  590   1HMC  HEC   1          1HMC      HEM   1   0.841   6.395  -6.910
  591   2HMC  HEC   1          2HMC      HEM   1   2.319   5.403  -6.828
  592   3HMC  HEC   1          3HMC      HEM   1   0.713   4.675  -6.706
  593    HAC  HEC   1           HAC      HEM   1   2.096   8.935  -4.019
  594   1HBC  HEC   1          1HBC      HEM   1   2.159   9.708  -6.210
  595   2HBC  HEC   1          2HBC      HEM   1   2.240   8.092  -6.902
  596   3HBC  HEC   1          3HBC      HEM   1   0.733   8.657  -6.121
  597   1HMD  HEC   1          1HMD      HEM   1  -0.112   9.660  -0.320
  598   2HMD  HEC   1          2HMD      HEM   1   1.574  10.051   0.114
  599   3HMD  HEC   1          3HMD      HEM   1   0.317  10.016   1.359
  600   1HAD  HEC   1          1HAD      HEM   1  -0.728   7.774   3.093
  601   2HAD  HEC   1          2HAD      HEM   1   0.616   8.873   3.263
  602   1HBD  HEC   1          1HBD      HEM   1   1.860   7.034   4.562
  603   2HBD  HEC   1          2HBD      HEM   1   0.379   6.091   4.504
   
  No H/Q in entry =         603
  Start of MODEL    7
    1   1H    ALA   1          3H        ALA   1  -3.291 -12.610  -9.385
    2   2H    ALA   1          1H        ALA   1  -2.928 -12.496 -11.018
    3   3H    ALA   1          2H        ALA   1  -2.195 -13.621 -10.035
    4    HA   ALA   1           HA       ALA   1  -0.579 -12.014 -10.128
    5   1HB   ALA   1          3HB       ALA   1  -1.978 -10.293 -11.251
    6   2HB   ALA   1          2HB       ALA   1  -2.817  -9.975  -9.715
    7   3HB   ALA   1          1HB       ALA   1  -1.086  -9.616  -9.881
    8    H    ASP   2           HN       ASP   2   0.310 -10.693  -8.118
    9    HA   ASP   2           HA       ASP   2  -1.137 -11.166  -5.625
   10   1HB   ASP   2          2HB       ASP   2   0.540 -12.526  -4.611
   11   2HB   ASP   2          1HB       ASP   2   0.179 -13.322  -6.142
   12    H    GLY   3           H        GLY   3   0.107 -10.242  -3.852
   13   1HA   GLY   3          2HA       GLY   3   0.693  -7.744  -3.683
   14   2HA   GLY   3          1HA       GLY   3   1.722  -8.906  -2.845
   15    H    ALA   4           H        ALA   4   3.357 -10.004  -4.705
   16    HA   ALA   4           HA       ALA   4   5.281  -7.921  -4.980
   17   1HB   ALA   4          1HB       ALA   4   5.879 -10.310  -4.684
   18   2HB   ALA   4          2HB       ALA   4   5.213 -10.677  -6.292
   19   3HB   ALA   4          3HB       ALA   4   6.637  -9.627  -6.137
   20    H    ALA   5           H        ALA   5   2.993  -9.301  -7.329
   21    HA   ALA   5           HA       ALA   5   4.215  -7.937  -9.614
   22   1HB   ALA   5          1HB       ALA   5   2.883  -9.998  -9.912
   23   2HB   ALA   5          3HB       ALA   5   1.442  -9.168  -9.283
   24   3HB   ALA   5          2HB       ALA   5   2.184  -8.630 -10.802
   25    H    LEU   6           H        LEU   6   1.350  -7.449  -7.433
   26    HA   LEU   6           HA       LEU   6   0.228  -5.182  -8.501
   27   1HB   LEU   6          2HB       LEU   6   0.491  -6.637  -5.858
   28   2HB   LEU   6          1HB       LEU   6  -0.043  -4.983  -5.826
   29    HG   LEU   6           HG       LEU   6  -1.787  -5.518  -7.466
   30   1HD1  LEU   6          2HD2      LEU   6  -0.827  -7.615  -8.448
   31   2HD1  LEU   6          1HD2      LEU   6  -1.249  -8.445  -6.928
   32   3HD1  LEU   6          3HD2      LEU   6  -2.515  -7.745  -7.936
   33   1HD2  LEU   6          2HD1      LEU   6  -1.686  -7.104  -4.847
   34   2HD2  LEU   6          1HD1      LEU   6  -2.178  -5.416  -5.016
   35   3HD2  LEU   6          3HD1      LEU   6  -3.184  -6.693  -5.737
   36    H    TYR   7           H        TYR   7   2.808  -5.511  -6.052
   37    HA   TYR   7           HA       TYR   7   3.074  -2.964  -5.245
   38   1HB   TYR   7          1HB       TYR   7   4.282  -4.905  -4.307
   39   2HB   TYR   7          2HB       TYR   7   5.399  -4.860  -5.676
   40    HD1  TYR   7           HD1      TYR   7   3.981  -2.794  -2.891
   41    HD2  TYR   7           HD2      TYR   7   7.235  -3.287  -5.672
   42    HE1  TYR   7           HE1      TYR   7   4.995  -0.675  -2.093
   43    HE2  TYR   7           HE2      TYR   7   8.225  -1.182  -4.878
   44    HH   TYR   7           HH       TYR   7   7.922   0.666  -3.567
   45    H    LYS   8           HN       LYS   8   4.183  -4.137  -8.383
   46    HA   LYS   8           HA       LYS   8   6.077  -2.194  -9.078
   47   1HB   LYS   8          2HB       LYS   8   3.917  -3.507 -10.767
   48   2HB   LYS   8          1HB       LYS   8   5.271  -2.558 -11.407
   49   1HG   LYS   8          2HG       LYS   8   6.903  -4.128 -10.509
   50   2HG   LYS   8          1HG       LYS   8   5.652  -5.025  -9.643
   51   1HD   LYS   8          2HD       LYS   8   6.276  -6.247 -11.621
   52   2HD   LYS   8          1HD       LYS   8   4.595  -5.704 -11.750
   53   1HE   LYS   8          2HE       LYS   8   5.257  -3.886 -13.273
   54   2HE   LYS   8          1HE       LYS   8   6.973  -4.277 -13.043
   55   1HZ   LYS   8          2HZ       LYS   8   4.957  -6.035 -14.252
   56   2HZ   LYS   8          3HZ       LYS   8   6.100  -5.171 -15.065
   57   3HZ   LYS   8          1HZ       LYS   8   6.555  -6.393 -14.058
   58    H    SER   9           H        SER   9   2.521  -1.961  -8.998
   59    HA   SER   9           HA       SER   9   2.240   0.508 -10.345
   60   1HB   SER   9          1HB       SER   9   0.398  -0.416  -8.134
   61   2HB   SER   9          2HB       SER   9   0.003   0.397  -9.656
   62    HG   SER   9           HG       SER   9   0.694  -2.303  -9.156
   63    H    CYS  10           H        CYS  10   3.359  -0.143  -7.095
   64    HA   CYS  10           HA       CYS  10   2.594   2.491  -6.026
   65   1HB   CYS  10          2HB       CYS  10   4.322   0.500  -4.654
   66   2HB   CYS  10          1HB       CYS  10   3.171   1.600  -3.929
   67    H    ILE  11           H        ILE  11   5.302   0.920  -7.518
   68    HA   ILE  11           HA       ILE  11   7.475   2.433  -6.482
   69    HB   ILE  11           HB       ILE  11   7.044   1.411  -9.299
   70   1HG1  ILE  11          1HG1      ILE  11   8.413   0.058  -6.916
   71   2HG1  ILE  11          2HG1      ILE  11   6.855  -0.414  -7.591
   72   1HG2  ILE  11          2HG2      ILE  11   8.906   3.039  -9.169
   73   2HG2  ILE  11          3HG2      ILE  11   9.637   2.104  -7.846
   74   3HG2  ILE  11          1HG2      ILE  11   9.523   1.436  -9.488
   75   1HD1  ILE  11          2HD1      ILE  11   8.041  -0.899  -9.779
   76   2HD1  ILE  11          1HD1      ILE  11   9.578  -0.694  -8.901
   77   3HD1  ILE  11          3HD1      ILE  11   8.450  -1.959  -8.412
   78    H    GLY  12           H        GLY  12   8.276   4.476  -7.105
   79   1HA   GLY  12          2HA       GLY  12   8.233   6.456  -8.451
   80   2HA   GLY  12          1HA       GLY  12   6.552   6.152  -8.908
   81    H    CYS  13           H        CYS  13   5.493   5.403  -6.215
   82    HA   CYS  13           HA       CYS  13   5.637   8.116  -4.965
   83   1HB   CYS  13          1HB       CYS  13   3.632   5.877  -5.022
   84   2HB   CYS  13          2HB       CYS  13   3.743   6.960  -3.649
   85    H    HIS  14           HN       HIS  14   5.980   4.606  -4.342
   86    HA   HIS  14           HA       HIS  14   7.066   5.139  -1.651
   87   1HB   HIS  14          1HB       HIS  14   5.877   2.809  -3.203
   88   2HB   HIS  14          2HB       HIS  14   6.614   2.627  -1.637
   89    HD1  HIS  14           HD1      HIS  14   5.666   4.386   0.296
   90    HD2  HIS  14           HD2      HIS  14   3.291   3.767  -3.073
   91    HE1  HIS  14           HE1      HIS  14   3.314   4.904   0.984
   92    H    GLY  15           H        GLY  15   8.140   3.776  -4.715
   93   1HA   GLY  15          2HA       GLY  15  10.478   3.725  -5.320
   94   2HA   GLY  15          1HA       GLY  15  10.925   3.551  -3.618
   95    H    ALA  16           H        ALA  16  12.177   1.623  -4.276
   96    HA   ALA  16           HA       ALA  16  10.870  -0.625  -5.544
   97   1HB   ALA  16          1HB       ALA  16  13.256  -0.158  -5.838
   98   2HB   ALA  16          2HB       ALA  16  13.546  -0.432  -4.105
   99   3HB   ALA  16          3HB       ALA  16  13.002  -1.769  -5.140
  100    H    ASP  17           HN       ASP  17  11.907   0.046  -2.168
  101    HA   ASP  17           HA       ASP  17  10.795  -2.522  -1.263
  102   1HB   ASP  17          1HB       ASP  17  11.693  -1.906   0.927
  103   2HB   ASP  17          2HB       ASP  17  12.918  -1.931  -0.345
  104    H    GLY  18           H        GLY  18  10.454   0.853  -0.221
  105   1HA   GLY  18          1HA       GLY  18   7.952   1.552  -0.557
  106   2HA   GLY  18          2HA       GLY  18   7.713   0.433   0.795
  107    H    SER  19           H        SER  19  10.352   2.795   0.025
  108    HA   SER  19           HA       SER  19  10.307   3.645   2.878
  109   1HB   SER  19          1HB       SER  19  12.637   4.410   2.299
  110   2HB   SER  19          2HB       SER  19  12.377   2.658   2.281
  111    HG   SER  19           HG       SER  19  12.563   2.628   0.137
  112    H    LYS  20           HN       LYS  20  10.300   5.000  -0.539
  113    HA   LYS  20           HA       LYS  20  10.989   7.501   0.159
  114   1HB   LYS  20          2HB       LYS  20  10.906   6.195  -2.082
  115   2HB   LYS  20          1HB       LYS  20   9.180   6.644  -2.145
  116   1HG   LYS  20          2HG       LYS  20   9.772   8.934  -1.916
  117   2HG   LYS  20          1HG       LYS  20  11.495   8.518  -1.718
  118   1HD   LYS  20          1HD       LYS  20  11.190   9.368  -3.982
  119   2HD   LYS  20          2HD       LYS  20  11.613   7.653  -4.019
  120   1HE   LYS  20          1HE       LYS  20   9.855   8.216  -5.654
  121   2HE   LYS  20          2HE       LYS  20   9.254   7.055  -4.463
  122   1HZ   LYS  20          2HZ       LYS  20   8.805   9.956  -4.284
  123   2HZ   LYS  20          3HZ       LYS  20   7.770   8.891  -5.005
  124   3HZ   LYS  20          1HZ       LYS  20   8.081   8.761  -3.392
  125    H    ALA  21           H        ALA  21   9.969   9.311   0.750
  126    HA   ALA  21           HA       ALA  21   7.311   9.253   1.893
  127   1HB   ALA  21          3HB       ALA  21   9.193  11.564   1.216
  128   2HB   ALA  21          2HB       ALA  21   7.714  11.682   2.187
  129   3HB   ALA  21          1HB       ALA  21   9.081  10.721   2.778
  130    H    ALA  22           H        ALA  22   5.579   9.156   0.586
  131    HA   ALA  22           HA       ALA  22   5.669   9.824  -2.247
  132   1HB   ALA  22          2HB       ALA  22   4.559   7.829  -1.344
  133   2HB   ALA  22          3HB       ALA  22   3.416   8.850  -0.460
  134   3HB   ALA  22          1HB       ALA  22   3.451   8.868  -2.246
  135    H    MET  23           H        MET  23   2.625  10.608  -1.388
  136    HA   MET  23           HA       MET  23   2.954  13.418  -2.005
  137   1HB   MET  23          2HB       MET  23   0.538  11.884  -0.973
  138   2HB   MET  23          1HB       MET  23   0.537  13.569  -1.512
  139   1HG   MET  23          2HG       MET  23   1.296  12.821  -3.769
  140   2HG   MET  23          1HG       MET  23   1.250  11.151  -3.204
  141   1HE   MET  23          1HE       MET  23  -0.652  14.045  -4.764
  142   2HE   MET  23          3HE       MET  23  -2.346  13.768  -4.303
  143   3HE   MET  23          2HE       MET  23  -1.176  14.326  -3.083
  144    H    GLY  24           H        GLY  24   4.566  13.859  -0.363
  145   1HA   GLY  24          2HA       GLY  24   4.899  15.399   1.427
  146   2HA   GLY  24          1HA       GLY  24   3.323  14.968   2.116
  147    H    SER  25           H        SER  25   4.820  14.795   4.083
  148    HA   SER  25           HA       SER  25   6.707  12.763   4.411
  149   1HB   SER  25          2HB       SER  25   4.983  14.028   6.556
  150   2HB   SER  25          1HB       SER  25   6.670  13.486   6.684
  151    HG   SER  25           HG       SER  25   6.531  15.767   6.383
  152    H    ALA  26           H        ALA  26   4.995  11.180   3.250
  153    HA   ALA  26           HA       ALA  26   3.007   9.867   4.823
  154   1HB   ALA  26          3HB       ALA  26   4.700   8.906   2.471
  155   2HB   ALA  26          2HB       ALA  26   3.266   8.075   3.084
  156   3HB   ALA  26          1HB       ALA  26   3.111   9.698   2.366
  157    H    LYS  27           HN       LYS  27   3.163   8.096   6.304
  158    HA   LYS  27           HA       LYS  27   5.495   7.455   7.654
  159   1HB   LYS  27          2HB       LYS  27   2.753   6.264   7.121
  160   2HB   LYS  27          1HB       LYS  27   3.948   5.430   8.066
  161   1HG   LYS  27          1HG       LYS  27   4.035   7.186   9.731
  162   2HG   LYS  27          2HG       LYS  27   3.093   8.261   8.685
  163   1HD   LYS  27          1HD       LYS  27   1.529   7.579  10.240
  164   2HD   LYS  27          2HD       LYS  27   1.167   6.559   8.853
  165   1HE   LYS  27          2HE       LYS  27   2.787   5.711  11.323
  166   2HE   LYS  27          1HE       LYS  27   1.065   5.398  11.063
  167   1HZ   LYS  27          3HZ       LYS  27   1.683   4.163   9.076
  168   2HZ   LYS  27          1HZ       LYS  27   3.270   4.306   9.487
  169   3HZ   LYS  27          2HZ       LYS  27   2.236   3.494  10.474
  170    HA   PRO  28           HA       PRO  28   7.244   5.039   4.227
  171   1HB   PRO  28          1HB       PRO  28   8.874   3.930   6.556
  172   2HB   PRO  28          2HB       PRO  28   9.453   4.343   4.916
  173   1HG   PRO  28          2HG       PRO  28   9.868   6.088   6.946
  174   2HG   PRO  28          1HG       PRO  28   9.249   6.700   5.382
  175   1HD   PRO  28          1HD       PRO  28   7.668   6.101   7.899
  176   2HD   PRO  28          2HD       PRO  28   7.581   7.518   6.808
  177    H    VAL  29           H        VAL  29   6.808   2.972   3.463
  178    HA   VAL  29           HA       VAL  29   4.825   1.485   5.052
  179    HB   VAL  29           HB       VAL  29   5.684   1.045   2.168
  180   1HG1  VAL  29          1HG1      VAL  29   3.107   0.520   3.723
  181   2HG1  VAL  29          2HG1      VAL  29   3.307   0.236   1.990
  182   3HG1  VAL  29          3HG1      VAL  29   4.267  -0.709   3.142
  183   1HG2  VAL  29          2HG2      VAL  29   3.672   3.016   3.336
  184   2HG2  VAL  29          3HG2      VAL  29   5.039   3.384   2.269
  185   3HG2  VAL  29          1HG2      VAL  29   3.650   2.474   1.646
  186    H    LYS  30           HN       LYS  30   8.036   1.193   3.661
  187    HA   LYS  30           HA       LYS  30   8.632  -1.503   3.853
  188   1HB   LYS  30          1HB       LYS  30  10.173  -0.048   2.887
  189   2HB   LYS  30          2HB       LYS  30  10.245   1.009   4.295
  190   1HG   LYS  30          1HG       LYS  30  11.093  -1.810   4.836
  191   2HG   LYS  30          2HG       LYS  30  12.081  -0.985   3.647
  192   1HD   LYS  30          2HD       LYS  30  12.589   0.837   5.162
  193   2HD   LYS  30          1HD       LYS  30  11.423   0.254   6.355
  194   1HE   LYS  30          2HE       LYS  30  13.679  -0.334   7.050
  195   2HE   LYS  30          1HE       LYS  30  12.738  -1.801   6.705
  196   1HZ   LYS  30          2HZ       LYS  30  14.589  -0.587   4.777
  197   2HZ   LYS  30          1HZ       LYS  30  14.985  -1.813   5.814
  198   3HZ   LYS  30          3HZ       LYS  30  13.818  -2.054   4.689
  199    H    GLY  31           H        GLY  31   8.270  -2.850   5.503
  200   1HA   GLY  31          2HA       GLY  31   8.201  -3.795   7.497
  201   2HA   GLY  31          1HA       GLY  31   9.478  -2.684   7.972
  202    H    GLN  32           H        GLN  32   6.107  -1.395   7.301
  203    HA   GLN  32           HA       GLN  32   5.973  -0.398   9.986
  204   1HB   GLN  32          1HB       GLN  32   3.400  -1.141   8.580
  205   2HB   GLN  32          2HB       GLN  32   3.735   0.148   9.731
  206   1HG   GLN  32          2HG       GLN  32   5.306   1.058   7.894
  207   2HG   GLN  32          1HG       GLN  32   4.429  -0.053   6.830
  208   1HE2  GLN  32          1HE2      GLN  32   2.774   3.452   6.836
  209   2HE2  GLN  32          2HE2      GLN  32   4.482   3.030   6.932
  210    H    GLY  33           H        GLY  33   4.589  -3.086   8.546
  211   1HA   GLY  33          1HA       GLY  33   5.333  -5.337   9.738
  212   2HA   GLY  33          2HA       GLY  33   4.193  -4.827  10.985
  213    H    ALA  34           H        ALA  34   4.165  -7.062   8.975
  214    HA   ALA  34           HA       ALA  34   2.371  -6.921   7.011
  215   1HB   ALA  34          3HB       ALA  34   3.547  -8.943   7.699
  216   2HB   ALA  34          1HB       ALA  34   2.508  -9.081   9.136
  217   3HB   ALA  34          2HB       ALA  34   1.810  -9.268   7.501
  218    H    GLU  35           HN       GLU  35   1.267  -7.170  10.440
  219    HA   GLU  35           HA       GLU  35  -1.529  -7.329   9.655
  220   1HB   GLU  35          1HB       GLU  35  -1.700  -6.469  12.195
  221   2HB   GLU  35          2HB       GLU  35  -1.503  -8.151  11.714
  222   1HG   GLU  35          1HG       GLU  35  -0.085  -7.642  13.592
  223   2HG   GLU  35          2HG       GLU  35   0.906  -8.071  12.206
  224    H    GLU  36           HN       GLU  36   0.639  -4.758  10.754
  225    HA   GLU  36           HA       GLU  36  -1.061  -2.545  10.912
  226   1HB   GLU  36          2HB       GLU  36   1.670  -3.139  11.128
  227   2HB   GLU  36          1HB       GLU  36   1.664  -2.158   9.681
  228   1HG   GLU  36          2HG       GLU  36   0.583  -1.329  12.386
  229   2HG   GLU  36          1HG       GLU  36   2.203  -1.048  11.704
  230    H    LEU  37           H        LEU  37   0.996  -3.619   8.279
  231    HA   LEU  37           HA       LEU  37   0.181  -1.927   6.214
  232   1HB   LEU  37          1HB       LEU  37   1.433  -4.699   6.349
  233   2HB   LEU  37          2HB       LEU  37   1.180  -3.886   4.809
  234    HG   LEU  37           HG       LEU  37   2.756  -2.598   7.073
  235   1HD1  LEU  37          3HD2      LEU  37   3.784  -4.217   4.714
  236   2HD1  LEU  37          2HD2      LEU  37   4.783  -3.304   5.865
  237   3HD1  LEU  37          1HD2      LEU  37   3.851  -4.702   6.421
  238   1HD2  LEU  37          2HD1      LEU  37   2.504  -2.062   4.089
  239   2HD2  LEU  37          3HD1      LEU  37   1.965  -0.994   5.410
  240   3HD2  LEU  37          1HD1      LEU  37   3.681  -1.309   5.180
  241    H    TYR  38           HN       TYR  38  -0.777  -5.400   6.630
  242    HA   TYR  38           HA       TYR  38  -2.657  -5.586   4.678
  243   1HB   TYR  38          2HB       TYR  38  -2.074  -7.477   6.048
  244   2HB   TYR  38          1HB       TYR  38  -2.811  -6.735   7.470
  245    HD1  TYR  38           HD1      TYR  38  -3.698  -7.704   3.930
  246    HD2  TYR  38           HE2      TYR  38  -5.066  -7.244   7.992
  247    HE1  TYR  38           HD2      TYR  38  -5.918  -8.585   3.282
  248    HE2  TYR  38           HE1      TYR  38  -7.299  -8.091   7.328
  249    HH   TYR  38           HH       TYR  38  -7.941  -9.441   4.118
  250    H    LYS  39           HN       LYS  39  -3.315  -4.357   7.966
  251    HA   LYS  39           HA       LYS  39  -6.048  -3.734   7.445
  252   1HB   LYS  39          1HB       LYS  39  -4.013  -2.627   9.439
  253   2HB   LYS  39          2HB       LYS  39  -5.705  -2.132   9.426
  254   1HG   LYS  39          2HG       LYS  39  -6.458  -4.386   9.922
  255   2HG   LYS  39          1HG       LYS  39  -4.855  -5.058   9.602
  256   1HD   LYS  39          1HD       LYS  39  -5.228  -4.992  11.989
  257   2HD   LYS  39          2HD       LYS  39  -3.908  -3.899  11.542
  258   1HE   LYS  39          2HE       LYS  39  -5.420  -1.952  11.732
  259   2HE   LYS  39          1HE       LYS  39  -6.796  -3.026  12.057
  260   1HZ   LYS  39          3HZ       LYS  39  -4.407  -2.732  13.739
  261   2HZ   LYS  39          1HZ       LYS  39  -5.893  -2.092  14.047
  262   3HZ   LYS  39          2HZ       LYS  39  -5.685  -3.726  14.051
  263    H    LYS  40           HN       LYS  40  -3.116  -1.616   7.057
  264    HA   LYS  40           HA       LYS  40  -4.650   0.686   6.263
  265   1HB   LYS  40          1HB       LYS  40  -1.765  -0.255   5.856
  266   2HB   LYS  40          2HB       LYS  40  -2.390   1.332   5.491
  267   1HG   LYS  40          1HG       LYS  40  -2.479   0.140   8.298
  268   2HG   LYS  40          2HG       LYS  40  -1.087   1.030   7.682
  269   1HD   LYS  40          2HD       LYS  40  -2.551   3.013   7.345
  270   2HD   LYS  40          1HD       LYS  40  -3.918   2.113   8.043
  271   1HE   LYS  40          2HE       LYS  40  -2.575   1.781  10.138
  272   2HE   LYS  40          1HE       LYS  40  -1.250   2.719   9.422
  273   1HZ   LYS  40          1HZ       LYS  40  -2.739   4.593   9.307
  274   2HZ   LYS  40          2HZ       LYS  40  -3.947   3.716  10.000
  275   3HZ   LYS  40          3HZ       LYS  40  -2.578   4.049  10.856
  276    H    MET  41           H        MET  41  -3.023  -1.987   4.193
  277    HA   MET  41           HA       MET  41  -3.790  -0.553   1.836
  278   1HB   MET  41          2HB       MET  41  -3.663  -3.125   1.082
  279   2HB   MET  41          1HB       MET  41  -2.430  -1.950   0.966
  280   1HG   MET  41          2HG       MET  41  -2.674  -3.856   3.301
  281   2HG   MET  41          1HG       MET  41  -1.918  -4.414   1.814
  282   1HE   MET  41          1HE       MET  41  -0.318  -2.598   0.548
  283   2HE   MET  41          3HE       MET  41   1.186  -2.190   1.406
  284   3HE   MET  41          2HE       MET  41   0.732  -3.895   1.172
  285    H    LYS  42           HN       LYS  42  -5.246  -3.114   3.824
  286    HA   LYS  42           HA       LYS  42  -7.602  -3.528   2.294
  287   1HB   LYS  42          1HB       LYS  42  -6.926  -4.843   4.348
  288   2HB   LYS  42          2HB       LYS  42  -7.356  -3.458   5.339
  289   1HG   LYS  42          2HG       LYS  42  -9.134  -5.033   5.443
  290   2HG   LYS  42          1HG       LYS  42  -9.714  -3.623   4.547
  291   1HD   LYS  42          1HD       LYS  42  -9.413  -4.858   2.404
  292   2HD   LYS  42          2HD       LYS  42  -8.676  -6.212   3.285
  293   1HE   LYS  42          1HE       LYS  42 -10.988  -6.735   2.733
  294   2HE   LYS  42          2HE       LYS  42 -10.810  -6.597   4.489
  295   1HZ   LYS  42          2HZ       LYS  42 -11.856  -4.507   2.699
  296   2HZ   LYS  42          3HZ       LYS  42 -12.761  -5.481   3.672
  297   3HZ   LYS  42          1HZ       LYS  42 -11.724  -4.389   4.337
  298    H    GLY  43           H        GLY  43  -6.760  -1.166   4.765
  299   1HA   GLY  43          1HA       GLY  43  -8.752   0.616   5.302
  300   2HA   GLY  43          2HA       GLY  43  -7.089   0.903   4.971
  301    H    TYR  44           H        TYR  44  -6.315   1.080   2.853
  302    HA   TYR  44           HA       TYR  44  -7.663   3.155   1.428
  303   1HB   TYR  44          1HB       TYR  44  -5.242   1.439   0.776
  304   2HB   TYR  44          2HB       TYR  44  -5.825   2.692  -0.325
  305    HD1  TYR  44           HD1      TYR  44  -6.439   5.010   1.111
  306    HD2  TYR  44           HD2      TYR  44  -3.187   2.248   1.693
  307    HE1  TYR  44           HE1      TYR  44  -5.287   6.678   2.488
  308    HE2  TYR  44           HE2      TYR  44  -1.867   4.116   2.688
  309    HH   TYR  44           HH       TYR  44  -1.994   6.088   3.830
  310    H    ALA  45           H        ALA  45  -7.221  -0.303   0.557
  311    HA   ALA  45           HA       ALA  45  -8.646  -0.239  -1.873
  312   1HB   ALA  45          1HB       ALA  45  -7.274  -2.143  -1.105
  313   2HB   ALA  45          2HB       ALA  45  -8.465  -2.497   0.166
  314   3HB   ALA  45          3HB       ALA  45  -8.912  -2.662  -1.544
  315    H    ASP  46           HN       ASP  46  -9.929  -0.494   1.478
  316    HA   ASP  46           HA       ASP  46 -12.634  -1.048   0.579
  317   1HB   ASP  46          1HB       ASP  46 -11.863  -1.763   2.777
  318   2HB   ASP  46          2HB       ASP  46 -11.469  -0.098   3.229
  319    H    GLY  47           H        GLY  47 -10.736   1.805   1.601
  320   1HA   GLY  47          1HA       GLY  47 -11.037   3.921   0.526
  321   2HA   GLY  47          2HA       GLY  47 -12.767   3.614   0.336
  322    H    SER  48           H        SER  48 -12.365   2.398   3.308
  323    HA   SER  48           HA       SER  48 -13.483   4.666   4.695
  324   1HB   SER  48          1HB       SER  48 -12.835   3.195   6.729
  325   2HB   SER  48          2HB       SER  48 -14.000   2.520   5.576
  326    HG   SER  48           HG       SER  48 -12.597   1.090   4.944
  327    H    TYR  49           H        TYR  49 -10.369   2.980   5.033
  328    HA   TYR  49           HA       TYR  49  -9.083   5.313   6.279
  329   1HB   TYR  49          1HB       TYR  49  -8.488   2.845   6.764
  330   2HB   TYR  49          2HB       TYR  49  -7.708   2.834   5.195
  331    HD1  TYR  49           HD1      TYR  49  -7.613   4.632   8.427
  332    HD2  TYR  49           HD2      TYR  49  -5.549   3.509   4.808
  333    HE1  TYR  49           HE1      TYR  49  -5.571   5.693   9.258
  334    HE2  TYR  49           HE2      TYR  49  -3.515   4.561   5.615
  335    HH   TYR  49           HH       TYR  49  -2.510   5.824   7.393
  336    H    GLY  50           H        GLY  50  -9.869   6.698   4.383
  337   1HA   GLY  50          1HA       GLY  50  -7.693   6.952   2.393
  338   2HA   GLY  50          2HA       GLY  50  -9.319   6.595   1.775
  339    H    GLY  51           H        GLY  51  -8.441   8.815   0.792
  340   1HA   GLY  51          2HA       GLY  51 -10.105  10.909   1.753
  341   2HA   GLY  51          1HA       GLY  51  -8.391  11.240   2.128
  342    H    GLU  52           HN       GLU  52  -9.839  12.780   0.201
  343    HA   GLU  52           HA       GLU  52  -9.921  12.015  -2.393
  344   1HB   GLU  52          2HB       GLU  52  -9.641  14.376  -3.018
  345   2HB   GLU  52          1HB       GLU  52 -10.751  14.119  -1.672
  346   1HG   GLU  52          1HG       GLU  52  -8.867  14.793  -0.085
  347   2HG   GLU  52          2HG       GLU  52  -7.921  15.242  -1.518
  348    H    ARG  53           HN       ARG  53  -6.924  13.437  -0.986
  349    HA   ARG  53           HA       ARG  53  -5.392  13.198  -3.347
  350   1HB   ARG  53          2HB       ARG  53  -3.490  13.654  -1.992
  351   2HB   ARG  53          1HB       ARG  53  -4.851  14.590  -1.367
  352   1HG   ARG  53          2HG       ARG  53  -5.123  12.639   0.372
  353   2HG   ARG  53          1HG       ARG  53  -3.515  12.124  -0.173
  354   1HD   ARG  53          2HD       ARG  53  -2.810  14.611   0.282
  355   2HD   ARG  53          1HD       ARG  53  -4.347  14.752   1.120
  356    HE   ARG  53           HE       ARG  53  -3.562  13.485   2.872
  357   1HH1  ARG  53          1HH1      ARG  53  -1.333  13.146   0.152
  358   2HH1  ARG  53          2HH1      ARG  53   0.060  12.803   1.143
  359   1HH2  ARG  53          2HH2      ARG  53  -1.783  12.819   4.174
  360   2HH2  ARG  53          1HH2      ARG  53  -0.248  12.453   3.433
  361    H    LYS  54           HN       LYS  54  -6.347  10.746  -1.073
  362    HA   LYS  54           HA       LYS  54  -4.236   8.818  -1.866
  363   1HB   LYS  54          1HB       LYS  54  -6.367   8.592   0.260
  364   2HB   LYS  54          2HB       LYS  54  -4.943   7.583  -0.003
  365   1HG   LYS  54          2HG       LYS  54  -3.557   9.773   0.246
  366   2HG   LYS  54          1HG       LYS  54  -5.062  10.496   0.872
  367   1HD   LYS  54          1HD       LYS  54  -5.123   8.849   2.680
  368   2HD   LYS  54          2HD       LYS  54  -3.638   8.103   2.004
  369   1HE   LYS  54          1HE       LYS  54  -2.365  10.123   2.452
  370   2HE   LYS  54          2HE       LYS  54  -3.809  10.924   3.107
  371   1HZ   LYS  54          2HZ       LYS  54  -2.676   8.430   4.175
  372   2HZ   LYS  54          3HZ       LYS  54  -2.356   9.927   4.793
  373   3HZ   LYS  54          1HZ       LYS  54  -3.889   9.323   4.830
  374    H    ALA  55           H        ALA  55  -7.262   9.851  -3.035
  375    HA   ALA  55           HA       ALA  55  -8.732   7.548  -3.452
  376   1HB   ALA  55          2HB       ALA  55  -9.527   9.783  -4.024
  377   2HB   ALA  55          3HB       ALA  55  -8.368   9.879  -5.371
  378   3HB   ALA  55          1HB       ALA  55  -9.687   8.690  -5.411
  379    H    MET  56           H        MET  56  -6.027   8.753  -5.492
  380    HA   MET  56           HA       MET  56  -6.192   6.773  -7.487
  381   1HB   MET  56          1HB       MET  56  -3.926   7.458  -8.053
  382   2HB   MET  56          2HB       MET  56  -4.994   8.826  -7.768
  383   1HG   MET  56          2HG       MET  56  -3.943   8.994  -5.415
  384   2HG   MET  56          1HG       MET  56  -2.772   7.797  -5.976
  385   1HE   MET  56          2HE       MET  56  -3.849  11.475  -5.860
  386   2HE   MET  56          3HE       MET  56  -3.062  12.195  -7.281
  387   3HE   MET  56          1HE       MET  56  -4.448  11.103  -7.498
  388    H    MET  57           H        MET  57  -4.418   6.779  -4.381
  389    HA   MET  57           HA       MET  57  -3.094   4.257  -4.763
  390   1HB   MET  57          1HB       MET  57  -2.337   5.873  -3.124
  391   2HB   MET  57          2HB       MET  57  -3.875   5.797  -2.258
  392   1HG   MET  57          2HG       MET  57  -3.503   3.512  -1.595
  393   2HG   MET  57          1HG       MET  57  -2.083   3.370  -2.634
  394   1HE   MET  57          2HE       MET  57  -3.350   6.031  -0.010
  395   2HE   MET  57          1HE       MET  57  -1.846   6.414   0.852
  396   3HE   MET  57          3HE       MET  57  -2.028   6.876  -0.853
  397    H    THR  58           H        THR  58  -6.086   5.260  -3.067
  398    HA   THR  58           HA       THR  58  -7.094   2.783  -2.287
  399    HB   THR  58           HB       THR  58  -8.385   5.367  -3.124
  400    HG1  THR  58           HG1      THR  58  -8.587   3.870  -0.761
  401   1HG2  THR  58          1HG2      THR  58  -9.934   2.823  -2.529
  402   2HG2  THR  58          2HG2      THR  58 -10.591   4.463  -2.361
  403   3HG2  THR  58          3HG2      THR  58 -10.071   3.880  -3.945
  404    H    ASN  59           H        ASN  59  -7.617   4.318  -5.555
  405    HA   ASN  59           HA       ASN  59  -8.992   2.036  -6.544
  406   1HB   ASN  59          1HB       ASN  59  -8.867   4.326  -7.611
  407   2HB   ASN  59          2HB       ASN  59  -7.287   3.869  -8.254
  408   1HD2  ASN  59          1HD2      ASN  59  -9.516   1.124 -10.018
  409   2HD2  ASN  59          2HD2      ASN  59  -8.576   0.834  -8.570
  410    H    ALA  60           H        ALA  60  -5.470   2.849  -6.558
  411    HA   ALA  60           HA       ALA  60  -4.618   0.695  -8.163
  412   1HB   ALA  60          1HB       ALA  60  -3.182   2.594  -7.457
  413   2HB   ALA  60          2HB       ALA  60  -3.095   1.907  -5.820
  414   3HB   ALA  60          3HB       ALA  60  -2.431   1.009  -7.195
  415    H    VAL  61           H        VAL  61  -5.043   0.789  -4.566
  416    HA   VAL  61           HA       VAL  61  -4.476  -2.087  -4.433
  417    HB   VAL  61           HB       VAL  61  -4.994  -1.907  -2.056
  418   1HG1  VAL  61          1HG2      VAL  61  -2.716  -1.624  -2.910
  419   2HG1  VAL  61          3HG2      VAL  61  -2.972   0.125  -3.088
  420   3HG1  VAL  61          2HG2      VAL  61  -2.997  -0.616  -1.475
  421   1HG2  VAL  61          3HG1      VAL  61  -6.537   0.180  -2.357
  422   2HG2  VAL  61          1HG1      VAL  61  -5.472   0.048  -0.943
  423   3HG2  VAL  61          2HG1      VAL  61  -5.028   1.103  -2.283
  424    H    LYS  62           HN       LYS  62  -7.430  -0.201  -4.876
  425    HA   LYS  62           HA       LYS  62  -9.351  -1.994  -3.946
  426   1HB   LYS  62          2HB       LYS  62  -9.795   0.268  -4.977
  427   2HB   LYS  62          1HB       LYS  62  -9.432  -0.433  -6.554
  428   1HG   LYS  62          1HG       LYS  62 -11.748  -0.367  -6.493
  429   2HG   LYS  62          2HG       LYS  62 -11.356  -2.051  -6.190
  430   1HD   LYS  62          1HD       LYS  62 -13.090  -1.520  -4.687
  431   2HD   LYS  62          2HD       LYS  62 -11.638  -1.540  -3.684
  432   1HE   LYS  62          2HE       LYS  62 -11.552   0.961  -3.794
  433   2HE   LYS  62          1HE       LYS  62 -12.972   0.961  -4.860
  434   1HZ   LYS  62          2HZ       LYS  62 -14.200  -0.050  -3.052
  435   2HZ   LYS  62          3HZ       LYS  62 -12.853   0.005  -2.096
  436   3HZ   LYS  62          1HZ       LYS  62 -13.556   1.402  -2.604
  437    H    LYS  63           HN       LYS  63  -7.304  -2.193  -6.878
  438    HA   LYS  63           HA       LYS  63  -8.685  -4.258  -8.178
  439   1HB   LYS  63          1HB       LYS  63  -6.104  -2.790  -8.355
  440   2HB   LYS  63          2HB       LYS  63  -6.008  -4.443  -8.870
  441   1HG   LYS  63          1HG       LYS  63  -6.502  -3.070 -10.767
  442   2HG   LYS  63          2HG       LYS  63  -7.918  -4.080 -10.437
  443   1HD   LYS  63          1HD       LYS  63  -8.987  -2.147  -9.241
  444   2HD   LYS  63          2HD       LYS  63  -7.570  -1.150  -9.605
  445   1HE   LYS  63          2HE       LYS  63  -9.377  -2.475 -11.694
  446   2HE   LYS  63          1HE       LYS  63  -9.510  -0.792 -11.172
  447   1HZ   LYS  63          2HZ       LYS  63  -7.278  -0.430 -11.957
  448   2HZ   LYS  63          1HZ       LYS  63  -7.174  -1.990 -12.482
  449   3HZ   LYS  63          3HZ       LYS  63  -8.261  -0.962 -13.168
  450    H    ALA  64           H        ALA  64  -6.698  -4.316  -5.302
  451    HA   ALA  64           HA       ALA  64  -5.688  -7.067  -5.615
  452   1HB   ALA  64          1HB       ALA  64  -4.413  -5.083  -4.617
  453   2HB   ALA  64          2HB       ALA  64  -5.516  -5.154  -3.248
  454   3HB   ALA  64          3HB       ALA  64  -4.479  -6.536  -3.591
  455    H    SER  65           H        SER  65  -6.908  -8.767  -4.978
  456    HA   SER  65           HA       SER  65  -9.206  -8.387  -3.138
  457   1HB   SER  65          2HB       SER  65  -8.332 -11.101  -4.136
  458   2HB   SER  65          1HB       SER  65  -9.907 -10.534  -3.648
  459    HG   SER  65           HG       SER  65  -8.446  -9.851  -5.989
  460    H    ASP  66           HN       ASP  66  -9.208 -10.456  -1.417
  461    HA   ASP  66           HA       ASP  66  -7.484  -9.634   0.546
  462   1HB   ASP  66          2HB       ASP  66  -9.523 -10.969   0.948
  463   2HB   ASP  66          1HB       ASP  66  -8.712 -12.410   0.303
  464    H    GLU  67           HN       GLU  67  -6.821 -12.457  -1.576
  465    HA   GLU  67           HA       GLU  67  -4.470 -13.306  -0.216
  466   1HB   GLU  67          2HB       GLU  67  -5.654 -14.559  -2.053
  467   2HB   GLU  67          1HB       GLU  67  -4.938 -13.450  -3.236
  468   1HG   GLU  67          1HG       GLU  67  -3.313 -15.170  -1.320
  469   2HG   GLU  67          2HG       GLU  67  -3.763 -15.652  -2.958
  470    H    GLU  68           HN       GLU  68  -4.908 -11.129  -2.947
  471    HA   GLU  68           HA       GLU  68  -2.262 -10.370  -3.391
  472   1HB   GLU  68          1HB       GLU  68  -4.830  -8.802  -3.818
  473   2HB   GLU  68          2HB       GLU  68  -3.316  -8.546  -4.629
  474   1HG   GLU  68          1HG       GLU  68  -4.206  -9.780  -6.220
  475   2HG   GLU  68          2HG       GLU  68  -3.647 -11.180  -5.255
  476    H    LEU  69           H        LEU  69  -4.789  -8.754  -1.372
  477    HA   LEU  69           HA       LEU  69  -3.181  -6.591  -0.485
  478   1HB   LEU  69          1HB       LEU  69  -5.510  -8.052   0.815
  479   2HB   LEU  69          2HB       LEU  69  -4.816  -6.572   1.481
  480    HG   LEU  69           HG       LEU  69  -5.897  -6.695  -1.361
  481   1HD1  LEU  69          3HD2      LEU  69  -7.363  -5.927   1.193
  482   2HD1  LEU  69          1HD2      LEU  69  -7.975  -5.689  -0.459
  483   3HD1  LEU  69          2HD2      LEU  69  -7.723  -7.327   0.160
  484   1HD2  LEU  69          2HD1      LEU  69  -4.424  -4.746  -0.794
  485   2HD2  LEU  69          3HD1      LEU  69  -6.101  -4.263  -1.080
  486   3HD2  LEU  69          1HD1      LEU  69  -5.497  -4.383   0.580
  487    H    LYS  70           HN       LYS  70  -3.749  -9.815   1.035
  488    HA   LYS  70           HA       LYS  70  -2.078  -9.346   3.308
  489   1HB   LYS  70          2HB       LYS  70  -2.864 -11.886   1.837
  490   2HB   LYS  70          1HB       LYS  70  -1.931 -11.882   3.350
  491   1HG   LYS  70          1HG       LYS  70  -3.781 -10.608   4.453
  492   2HG   LYS  70          2HG       LYS  70  -4.752 -10.790   2.991
  493   1HD   LYS  70          1HD       LYS  70  -3.749 -13.009   4.839
  494   2HD   LYS  70          2HD       LYS  70  -5.401 -12.421   4.636
  495   1HE   LYS  70          1HE       LYS  70  -5.476 -14.344   3.367
  496   2HE   LYS  70          2HE       LYS  70  -5.128 -13.133   2.127
  497   1HZ   LYS  70          2HZ       LYS  70  -3.181 -14.898   3.459
  498   2HZ   LYS  70          3HZ       LYS  70  -3.753 -15.070   1.924
  499   3HZ   LYS  70          1HZ       LYS  70  -2.802 -13.785   2.308
  500    H    ALA  71           H        ALA  71  -1.350 -10.709   0.071
  501    HA   ALA  71           HA       ALA  71   1.399 -11.187   0.663
  502   1HB   ALA  71          2HB       ALA  71  -0.075 -10.735  -1.956
  503   2HB   ALA  71          1HB       ALA  71   1.601 -11.331  -1.836
  504   3HB   ALA  71          3HB       ALA  71   0.257 -12.289  -1.176
  505    H    LEU  72           H        LEU  72  -0.298  -8.248  -0.559
  506    HA   LEU  72           HA       LEU  72   2.006  -6.820  -1.357
  507   1HB   LEU  72          1HB       LEU  72  -0.596  -6.493  -1.589
  508   2HB   LEU  72          2HB       LEU  72  -0.501  -5.612  -0.091
  509    HG   LEU  72           HG       LEU  72   0.826  -3.873  -1.152
  510   1HD1  LEU  72          1HD1      LEU  72   0.801  -5.563  -3.666
  511   2HD1  LEU  72          2HD1      LEU  72   1.331  -3.883  -3.564
  512   3HD1  LEU  72          3HD1      LEU  72   2.245  -5.127  -2.717
  513   1HD2  LEU  72          2HD2      LEU  72  -1.576  -4.900  -2.759
  514   2HD2  LEU  72          3HD2      LEU  72  -1.606  -3.760  -1.404
  515   3HD2  LEU  72          1HD2      LEU  72  -0.909  -3.294  -2.972
  516    H    ALA  73           H        ALA  73   0.130  -6.938   1.638
  517    HA   ALA  73           HA       ALA  73   1.808  -5.346   3.264
  518   1HB   ALA  73          3HB       ALA  73   0.022  -7.706   4.031
  519   2HB   ALA  73          2HB       ALA  73   0.696  -6.521   5.155
  520   3HB   ALA  73          1HB       ALA  73  -0.455  -6.003   3.903
  521    H    ASP  74           HN       ASP  74   1.791  -8.951   2.984
  522    HA   ASP  74           HA       ASP  74   3.898  -9.569   4.628
  523   1HB   ASP  74          2HB       ASP  74   2.480 -11.232   3.485
  524   2HB   ASP  74          1HB       ASP  74   3.264 -10.847   1.941
  525    H    TYR  75           H        TYR  75   4.170  -8.754   1.121
  526    HA   TYR  75           HA       TYR  75   6.936  -8.948   0.821
  527   1HB   TYR  75          2HB       TYR  75   5.494  -8.641  -1.057
  528   2HB   TYR  75          1HB       TYR  75   4.864  -7.129  -0.436
  529    HD1  TYR  75           HD2      TYR  75   7.915  -8.708  -1.929
  530    HD2  TYR  75           HD1      TYR  75   5.821  -5.066  -1.022
  531    HE1  TYR  75           HE2      TYR  75   9.482  -7.433  -3.372
  532    HE2  TYR  75           HE1      TYR  75   7.526  -3.763  -2.257
  533    HH   TYR  75           HH       TYR  75   9.503  -3.856  -3.560
  534    H    MET  76           H        MET  76   5.182  -5.850   1.543
  535    HA   MET  76           HA       MET  76   7.615  -4.464   2.177
  536   1HB   MET  76          1HB       MET  76   4.687  -3.898   2.495
  537   2HB   MET  76          2HB       MET  76   5.851  -2.871   3.351
  538   1HG   MET  76          1HG       MET  76   6.949  -2.179   1.421
  539   2HG   MET  76          2HG       MET  76   6.339  -3.506   0.446
  540   1HE   MET  76          1HE       MET  76   4.073  -3.724  -0.585
  541   2HE   MET  76          3HE       MET  76   3.141  -3.402   0.893
  542   3HE   MET  76          2HE       MET  76   2.831  -2.463  -0.586
  543    H    SER  77           H        SER  77   5.663  -6.599   4.167
  544    HA   SER  77           HA       SER  77   6.875  -5.666   6.649
  545   1HB   SER  77          1HB       SER  77   4.620  -6.808   6.427
  546   2HB   SER  77          2HB       SER  77   5.499  -8.315   6.129
  547    HG   SER  77           HG       SER  77   6.647  -7.818   8.142
  548    H    LYS  78           HN       LYS  78   8.411  -7.232   4.071
  549    HA   LYS  78           HA       LYS  78  10.318  -8.583   5.907
  550   1HB   LYS  78          2HB       LYS  78   9.005  -9.779   3.414
  551   2HB   LYS  78          1HB       LYS  78  10.449 -10.423   4.217
  552   1HG   LYS  78          2HG       LYS  78   9.158 -10.695   6.324
  553   2HG   LYS  78          1HG       LYS  78   7.698 -10.123   5.489
  554   1HD   LYS  78          2HD       LYS  78   7.689 -12.016   3.995
  555   2HD   LYS  78          1HD       LYS  78   9.298 -12.530   4.530
  556   1HE   LYS  78          2HE       LYS  78   7.529 -13.932   5.538
  557   2HE   LYS  78          1HE       LYS  78   8.462 -13.062   6.767
  558   1HZ   LYS  78          2HZ       LYS  78   6.685 -11.459   6.880
  559   2HZ   LYS  78          3HZ       LYS  78   5.819 -12.288   5.743
  560   3HZ   LYS  78          1HZ       LYS  78   6.131 -12.976   7.207
  561    H    LEU  79           H        LEU  79  10.535  -5.985   5.106
  562    HA   LEU  79           HA       LEU  79  12.685  -5.936   3.204
  563   1HB   LEU  79          1HB       LEU  79   9.803  -5.071   2.882
  564   2HB   LEU  79          2HB       LEU  79  10.964  -3.842   2.559
  565    HG   LEU  79           HG       LEU  79  10.892  -6.588   1.190
  566   1HD1  LEU  79          3HD2      LEU  79   9.900  -3.843   0.358
  567   2HD1  LEU  79          2HD2      LEU  79  10.188  -5.163  -0.797
  568   3HD1  LEU  79          1HD2      LEU  79   8.980  -5.350   0.481
  569   1HD2  LEU  79          2HD1      LEU  79  12.615  -4.130   0.669
  570   2HD2  LEU  79          3HD1      LEU  79  13.179  -5.751   1.113
  571   3HD2  LEU  79          1HD1      LEU  79  12.447  -5.488  -0.466
  572    HHA  HEC   1           HHA      HEM   1   1.712   5.308   3.534
  573    HHB  HEC   1           HHB      HEM   1  -0.300   0.046   0.524
  574    HHC  HEC   1           HHC      HEM   1   0.665   3.121  -5.018
  575    HHD  HEC   1           HHD      HEM   1   0.830   8.655  -1.776
  576   1HMA  HEC   1          1HMA      HEM   1  -0.039   0.414   4.362
  577   2HMA  HEC   1          2HMA      HEM   1   0.794  -0.400   3.026
  578   3HMA  HEC   1          3HMA      HEM   1  -0.942   0.014   2.893
  579   1HAA  HEC   1          1HAA      HEM   1   1.270   2.051   5.276
  580   2HAA  HEC   1          2HAA      HEM   1   1.901   3.643   4.908
  581   1HBA  HEC   1          1HBA      HEM   1  -0.672   4.305   4.723
  582   2HBA  HEC   1          2HBA      HEM   1  -0.910   2.816   5.619
  583   1HMB  HEC   1          1HMB      HEM   1   0.677  -1.726  -2.669
  584   2HMB  HEC   1          2HMB      HEM   1  -0.723  -1.456  -1.588
  585   3HMB  HEC   1          3HMB      HEM   1   0.940  -1.331  -0.980
  586    HAB  HEC   1           HAB      HEM   1   0.639   1.062  -5.485
  587   1HBB  HEC   1          1HBB      HEM   1  -0.417  -1.034  -6.068
  588   2HBB  HEC   1          2HBB      HEM   1  -1.527  -0.018  -5.122
  589   3HBB  HEC   1          3HBB      HEM   1  -0.719  -1.404  -4.374
  590   1HMC  HEC   1          1HMC      HEM   1  -0.070   5.011  -6.433
  591   2HMC  HEC   1          2HMC      HEM   1   0.878   6.476  -6.703
  592   3HMC  HEC   1          3HMC      HEM   1   1.707   4.941  -6.420
  593    HAC  HEC   1           HAC      HEM   1   1.806   8.911  -3.747
  594   1HBC  HEC   1          1HBC      HEM   1  -0.517   9.128  -4.539
  595   2HBC  HEC   1          2HBC      HEM   1   0.653  10.015  -5.546
  596   3HBC  HEC   1          3HBC      HEM   1  -0.012   8.474  -6.111
  597   1HMD  HEC   1          1HMD      HEM   1  -0.324   9.863   0.003
  598   2HMD  HEC   1          2HMD      HEM   1   1.352  10.196   0.520
  599   3HMD  HEC   1          3HMD      HEM   1   0.044  10.125   1.711
  600   1HAD  HEC   1          1HAD      HEM   1  -0.614   8.169   3.574
  601   2HAD  HEC   1          2HAD      HEM   1   0.916   9.017   3.589
  602   1HBD  HEC   1          1HBD      HEM   1   0.310   6.304   4.845
  603   2HBD  HEC   1          2HBD      HEM   1   1.928   6.989   4.835
   
  No H/Q in entry =         603
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   0.096  -9.736  -8.358
    2   2H    ALA   1          3H        ALA   1  -0.890 -10.251  -9.602
    3   3H    ALA   1          2H        ALA   1  -1.537  -9.920  -8.119
    4    HA   ALA   1           HA       ALA   1  -1.422 -12.114  -7.886
    5   1HB   ALA   1          1HB       ALA   1  -0.511 -12.524 -10.132
    6   2HB   ALA   1          2HB       ALA   1   1.117 -12.084  -9.565
    7   3HB   ALA   1          3HB       ALA   1   0.305 -13.517  -8.911
    8    H    ASP   2           HN       ASP   2  -0.646 -13.037  -6.030
    9    HA   ASP   2           HA       ASP   2   0.275 -13.031  -3.956
   10   1HB   ASP   2          1HB       ASP   2   2.383 -14.219  -4.055
   11   2HB   ASP   2          2HB       ASP   2   1.308 -14.776  -5.334
   12    H    GLY   3           H        GLY   3   0.266 -10.226  -4.548
   13   1HA   GLY   3          2HA       GLY   3   1.057  -8.365  -3.460
   14   2HA   GLY   3          1HA       GLY   3   2.243  -9.363  -2.623
   15    H    ALA   4           H        ALA   4   3.886 -10.328  -4.194
   16    HA   ALA   4           HA       ALA   4   5.778  -8.422  -4.809
   17   1HB   ALA   4          3HB       ALA   4   6.222 -10.840  -4.565
   18   2HB   ALA   4          2HB       ALA   4   5.471 -11.141  -6.147
   19   3HB   ALA   4          1HB       ALA   4   6.962 -10.182  -6.039
   20    H    ALA   5           H        ALA   5   3.447  -9.849  -7.175
   21    HA   ALA   5           HA       ALA   5   4.624  -8.398  -9.390
   22   1HB   ALA   5          2HB       ALA   5   3.394 -10.515  -9.680
   23   2HB   ALA   5          3HB       ALA   5   1.894  -9.681  -9.219
   24   3HB   ALA   5          1HB       ALA   5   2.760  -9.196 -10.686
   25    H    LEU   6           H        LEU   6   2.066  -7.527  -6.964
   26    HA   LEU   6           HA       LEU   6   0.923  -5.436  -8.556
   27   1HB   LEU   6          2HB       LEU   6   0.888  -6.167  -5.582
   28   2HB   LEU   6          1HB       LEU   6  -0.020  -4.941  -6.365
   29    HG   LEU   6           HG       LEU   6  -0.574  -7.266  -7.896
   30   1HD1  LEU   6          3HD1      LEU   6   0.473  -8.558  -6.048
   31   2HD1  LEU   6          2HD1      LEU   6  -0.657  -7.826  -4.892
   32   3HD1  LEU   6          1HD1      LEU   6  -1.251  -8.903  -6.160
   33   1HD2  LEU   6          3HD2      LEU   6  -2.217  -5.990  -5.669
   34   2HD2  LEU   6          1HD2      LEU   6  -2.191  -5.483  -7.371
   35   3HD2  LEU   6          2HD2      LEU   6  -2.835  -7.075  -6.935
   36    H    TYR   7           H        TYR   7   3.111  -5.831  -5.793
   37    HA   TYR   7           HA       TYR   7   3.614  -3.352  -4.946
   38   1HB   TYR   7          1HB       TYR   7   4.597  -5.322  -3.930
   39   2HB   TYR   7          2HB       TYR   7   5.721  -5.489  -5.282
   40    HD1  TYR   7           HD2      TYR   7   4.593  -3.017  -2.675
   41    HD2  TYR   7           HD1      TYR   7   7.783  -4.280  -5.286
   42    HE1  TYR   7           HE2      TYR   7   5.919  -1.012  -2.052
   43    HE2  TYR   7           HE1      TYR   7   9.125  -2.346  -4.584
   44    HH   TYR   7           HH       TYR   7   9.165  -0.359  -3.342
   45    H    LYS   8           HN       LYS   8   5.137  -4.674  -7.943
   46    HA   LYS   8           HA       LYS   8   7.102  -2.838  -8.427
   47   1HB   LYS   8          1HB       LYS   8   5.149  -4.425 -10.156
   48   2HB   LYS   8          2HB       LYS   8   6.562  -3.579 -10.756
   49   1HG   LYS   8          2HG       LYS   8   8.056  -4.903  -9.321
   50   2HG   LYS   8          1HG       LYS   8   6.671  -5.774  -8.650
   51   1HD   LYS   8          2HD       LYS   8   6.114  -6.640 -10.925
   52   2HD   LYS   8          1HD       LYS   8   7.515  -5.772 -11.576
   53   1HE   LYS   8          1HE       LYS   8   8.191  -8.064 -11.236
   54   2HE   LYS   8          2HE       LYS   8   9.003  -7.080 -10.010
   55   1HZ   LYS   8          3HZ       LYS   8   7.214  -7.770  -8.477
   56   2HZ   LYS   8          2HZ       LYS   8   6.627  -8.766  -9.646
   57   3HZ   LYS   8          1HZ       LYS   8   8.130  -9.026  -9.031
   58    H    SER   9           H        SER   9   3.580  -2.575  -8.967
   59    HA   SER   9           HA       SER   9   3.615  -0.229 -10.580
   60   1HB   SER   9          2HB       SER   9   1.349  -0.979  -8.719
   61   2HB   SER   9          1HB       SER   9   1.282  -0.302 -10.355
   62    HG   SER   9           HG       SER   9   1.835  -2.942  -9.491
   63    H    CYS  10           H        CYS  10   4.029  -0.686  -7.155
   64    HA   CYS  10           HA       CYS  10   3.060   1.963  -6.356
   65   1HB   CYS  10          2HB       CYS  10   4.515   0.024  -4.610
   66   2HB   CYS  10          1HB       CYS  10   3.251   1.136  -4.157
   67    H    ILE  11           H        ILE  11   6.029   0.381  -7.219
   68    HA   ILE  11           HA       ILE  11   7.942   1.996  -5.879
   69    HB   ILE  11           HB       ILE  11   8.048   0.742  -8.640
   70   1HG1  ILE  11          2HG1      ILE  11   8.981  -0.307  -5.920
   71   2HG1  ILE  11          1HG1      ILE  11   7.593  -0.910  -6.829
   72   1HG2  ILE  11          3HG2      ILE  11   9.828   2.429  -8.392
   73   2HG2  ILE  11          2HG2      ILE  11  10.340   1.682  -6.862
   74   3HG2  ILE  11          1HG2      ILE  11  10.519   0.825  -8.407
   75   1HD1  ILE  11          1HD1      ILE  11   9.192  -1.543  -8.696
   76   2HD1  ILE  11          2HD1      ILE  11  10.519  -1.224  -7.550
   77   3HD1  ILE  11          3HD1      ILE  11   9.323  -2.472  -7.188
   78    H    GLY  12           H        GLY  12   8.956   3.958  -6.575
   79   1HA   GLY  12          2HA       GLY  12   9.114   5.887  -7.940
   80   2HA   GLY  12          1HA       GLY  12   7.575   5.517  -8.728
   81    H    CYS  13           H        CYS  13   5.890   4.958  -6.367
   82    HA   CYS  13           HA       CYS  13   5.731   7.747  -5.326
   83   1HB   CYS  13          1HB       CYS  13   3.854   5.433  -5.558
   84   2HB   CYS  13          2HB       CYS  13   3.753   6.445  -4.130
   85    H    HIS  14           HN       HIS  14   6.082   4.318  -4.285
   86    HA   HIS  14           HA       HIS  14   6.691   5.161  -1.554
   87   1HB   HIS  14          1HB       HIS  14   6.161   2.571  -3.050
   88   2HB   HIS  14          2HB       HIS  14   6.732   2.595  -1.397
   89    HD1  HIS  14           HD1      HIS  14   5.302   3.989   0.386
   90    HD2  HIS  14           HD2      HIS  14   3.474   3.432  -3.326
   91    HE1  HIS  14           HE1      HIS  14   2.877   4.384   0.739
   92    H    GLY  15           H        GLY  15   8.536   3.864  -4.272
   93   1HA   GLY  15          1HA       GLY  15  10.979   4.301  -4.273
   94   2HA   GLY  15          2HA       GLY  15  11.017   3.910  -2.559
   95    H    ALA  16           H        ALA  16  12.777   2.462  -3.502
   96    HA   ALA  16           HA       ALA  16  12.052   0.136  -5.013
   97   1HB   ALA  16          1HB       ALA  16  14.401   0.629  -3.122
   98   2HB   ALA  16          3HB       ALA  16  14.233  -0.751  -4.228
   99   3HB   ALA  16          2HB       ALA  16  14.364   0.895  -4.876
  100    H    ASP  17           HN       ASP  17  12.979   0.305  -1.541
  101    HA   ASP  17           HA       ASP  17  11.573  -2.142  -0.877
  102   1HB   ASP  17          1HB       ASP  17  12.216  -1.574   1.442
  103   2HB   ASP  17          2HB       ASP  17  13.585  -1.576   0.336
  104    H    GLY  18           H        GLY  18  11.131   1.281  -0.188
  105   1HA   GLY  18          2HA       GLY  18   8.771   2.043  -0.853
  106   2HA   GLY  18          1HA       GLY  18   8.261   0.937   0.416
  107    H    SER  19           H        SER  19  10.975   3.270   0.118
  108    HA   SER  19           HA       SER  19  10.706   4.090   2.932
  109   1HB   SER  19          1HB       SER  19  13.046   5.011   2.317
  110   2HB   SER  19          2HB       SER  19  12.847   3.255   2.429
  111    HG   SER  19           HG       SER  19  13.176   3.062   0.365
  112    H    LYS  20           HN       LYS  20  10.254   5.477  -0.327
  113    HA   LYS  20           HA       LYS  20  10.835   8.177   0.729
  114   1HB   LYS  20          2HB       LYS  20  10.383   9.027  -1.460
  115   2HB   LYS  20          1HB       LYS  20  11.686   7.827  -1.436
  116   1HG   LYS  20          1HG       LYS  20  10.350   6.186  -2.429
  117   2HG   LYS  20          2HG       LYS  20   8.873   7.161  -2.324
  118   1HD   LYS  20          1HD       LYS  20  11.384   7.791  -3.966
  119   2HD   LYS  20          2HD       LYS  20   9.911   7.070  -4.620
  120   1HE   LYS  20          1HE       LYS  20  10.102   9.883  -3.432
  121   2HE   LYS  20          2HE       LYS  20  10.061   9.464  -5.142
  122   1HZ   LYS  20          3HZ       LYS  20   7.900   8.792  -3.275
  123   2HZ   LYS  20          1HZ       LYS  20   7.920  10.106  -4.277
  124   3HZ   LYS  20          2HZ       LYS  20   7.927   8.582  -4.904
  125    H    ALA  21           H        ALA  21   9.385   9.796   1.015
  126    HA   ALA  21           HA       ALA  21   6.789   9.004   1.956
  127   1HB   ALA  21          2HB       ALA  21   8.092  10.773   3.031
  128   2HB   ALA  21          3HB       ALA  21   8.003  11.768   1.560
  129   3HB   ALA  21          1HB       ALA  21   6.527  11.386   2.472
  130    H    ALA  22           H        ALA  22   5.775   8.082   0.144
  131    HA   ALA  22           HA       ALA  22   5.240   9.166  -2.312
  132   1HB   ALA  22          3HB       ALA  22   4.406   6.946  -1.496
  133   2HB   ALA  22          1HB       ALA  22   3.142   7.781  -0.579
  134   3HB   ALA  22          2HB       ALA  22   3.173   7.895  -2.343
  135    H    MET  23           H        MET  23   3.761  10.562  -3.240
  136    HA   MET  23           HA       MET  23   2.968  12.683  -3.433
  137   1HB   MET  23          2HB       MET  23   1.121  11.842  -1.167
  138   2HB   MET  23          1HB       MET  23   0.825  13.062  -2.411
  139   1HG   MET  23          2HG       MET  23   1.070  11.223  -4.155
  140   2HG   MET  23          1HG       MET  23   1.124  10.066  -2.819
  141   1HE   MET  23          3HE       MET  23  -1.139  13.206  -3.743
  142   2HE   MET  23          1HE       MET  23  -1.065  12.158  -5.184
  143   3HE   MET  23          2HE       MET  23  -2.587  12.327  -4.281
  144    H    GLY  24           H        GLY  24   5.296  12.485  -1.734
  145   1HA   GLY  24          2HA       GLY  24   6.597  13.763  -0.413
  146   2HA   GLY  24          1HA       GLY  24   5.590  15.131  -0.905
  147    H    SER  25           H        SER  25   4.373  12.307   0.949
  148    HA   SER  25           HA       SER  25   4.563  13.737   3.510
  149   1HB   SER  25          1HB       SER  25   2.035  13.909   3.728
  150   2HB   SER  25          2HB       SER  25   2.810  15.079   2.653
  151    HG   SER  25           HG       SER  25   2.203  13.777   0.871
  152    H    ALA  26           H        ALA  26   3.394  10.928   1.702
  153    HA   ALA  26           HA       ALA  26   2.079   9.569   3.707
  154   1HB   ALA  26          3HB       ALA  26   2.207   8.944   1.305
  155   2HB   ALA  26          2HB       ALA  26   3.897   8.452   1.544
  156   3HB   ALA  26          1HB       ALA  26   2.616   7.552   2.345
  157    H    LYS  27           HN       LYS  27   2.609   8.091   5.343
  158    HA   LYS  27           HA       LYS  27   5.298   8.026   6.399
  159   1HB   LYS  27          1HB       LYS  27   3.126   5.904   6.722
  160   2HB   LYS  27          2HB       LYS  27   4.566   6.106   7.728
  161   1HG   LYS  27          2HG       LYS  27   3.658   8.453   8.286
  162   2HG   LYS  27          1HG       LYS  27   2.160   7.899   7.519
  163   1HD   LYS  27          2HD       LYS  27   3.513   6.545   9.894
  164   2HD   LYS  27          1HD       LYS  27   2.151   7.664  10.016
  165   1HE   LYS  27          1HE       LYS  27   2.097   4.969   8.573
  166   2HE   LYS  27          2HE       LYS  27   1.404   5.319  10.159
  167   1HZ   LYS  27          3HZ       LYS  27  -0.072   6.885   9.126
  168   2HZ   LYS  27          2HZ       LYS  27   0.573   6.573   7.640
  169   3HZ   LYS  27          1HZ       LYS  27  -0.234   5.394   8.432
  170    HA   PRO  28           HA       PRO  28   6.736   5.173   3.290
  171   1HB   PRO  28          2HB       PRO  28   8.902   3.942   4.536
  172   2HB   PRO  28          1HB       PRO  28   8.939   5.652   4.004
  173   1HG   PRO  28          1HG       PRO  28   8.303   4.602   6.772
  174   2HG   PRO  28          2HG       PRO  28   9.470   5.887   6.334
  175   1HD   PRO  28          1HD       PRO  28   6.944   6.471   7.163
  176   2HD   PRO  28          2HD       PRO  28   7.708   7.425   5.854
  177    H    VAL  29           H        VAL  29   6.736   2.910   2.832
  178    HA   VAL  29           HA       VAL  29   4.746   1.527   4.570
  179    HB   VAL  29           HB       VAL  29   4.617  -0.031   2.575
  180   1HG1  VAL  29          2HG2      VAL  29   3.650   2.854   2.424
  181   2HG1  VAL  29          3HG2      VAL  29   2.997   1.516   1.438
  182   3HG1  VAL  29          1HG2      VAL  29   2.858   1.466   3.205
  183   1HG2  VAL  29          3HG1      VAL  29   6.099   2.179   1.150
  184   2HG2  VAL  29          1HG1      VAL  29   6.408   0.421   1.244
  185   3HG2  VAL  29          2HG1      VAL  29   5.014   1.035   0.352
  186    H    LYS  30           HN       LYS  30   8.051   1.225   3.177
  187    HA   LYS  30           HA       LYS  30   8.498  -1.416   3.377
  188   1HB   LYS  30          1HB       LYS  30  10.632  -0.911   3.118
  189   2HB   LYS  30          2HB       LYS  30   9.743   0.407   2.438
  190   1HG   LYS  30          1HG       LYS  30  11.420   1.566   3.508
  191   2HG   LYS  30          2HG       LYS  30  10.227   1.556   4.816
  192   1HD   LYS  30          2HD       LYS  30  11.396  -0.563   5.705
  193   2HD   LYS  30          1HD       LYS  30  12.574  -0.400   4.425
  194   1HE   LYS  30          1HE       LYS  30  12.046   1.657   6.622
  195   2HE   LYS  30          2HE       LYS  30  13.383   0.494   6.575
  196   1HZ   LYS  30          2HZ       LYS  30  14.102   1.520   4.520
  197   2HZ   LYS  30          3HZ       LYS  30  12.919   2.660   4.657
  198   3HZ   LYS  30          1HZ       LYS  30  14.118   2.582   5.784
  199    H    GLY  31           H        GLY  31   8.253  -2.780   5.077
  200   1HA   GLY  31          2HA       GLY  31   8.122  -3.656   7.129
  201   2HA   GLY  31          1HA       GLY  31   9.443  -2.576   7.533
  202    H    GLN  32           H        GLN  32   6.088  -1.253   6.859
  203    HA   GLN  32           HA       GLN  32   6.055   0.011   9.431
  204   1HB   GLN  32          2HB       GLN  32   3.418  -0.863   8.207
  205   2HB   GLN  32          1HB       GLN  32   3.779   0.496   9.257
  206   1HG   GLN  32          2HG       GLN  32   5.199   1.388   7.345
  207   2HG   GLN  32          1HG       GLN  32   4.425   0.137   6.360
  208   1HE2  GLN  32          1HE2      GLN  32   2.421   3.451   6.181
  209   2HE2  GLN  32          2HE2      GLN  32   4.148   3.313   6.399
  210    H    GLY  33           H        GLY  33   4.352  -2.688   8.360
  211   1HA   GLY  33          2HA       GLY  33   5.156  -4.799   9.988
  212   2HA   GLY  33          1HA       GLY  33   3.870  -4.007  10.922
  213    H    ALA  34           H        ALA  34   4.105  -6.666   9.204
  214    HA   ALA  34           HA       ALA  34   2.387  -6.622   7.081
  215   1HB   ALA  34          1HB       ALA  34   3.614  -8.638   7.803
  216   2HB   ALA  34          3HB       ALA  34   2.503  -8.827   9.176
  217   3HB   ALA  34          2HB       ALA  34   1.902  -8.980   7.511
  218    H    GLU  35           HN       GLU  35   1.322  -6.791  10.493
  219    HA   GLU  35           HA       GLU  35  -1.474  -7.096   9.793
  220   1HB   GLU  35          1HB       GLU  35  -1.622  -6.100  12.291
  221   2HB   GLU  35          2HB       GLU  35  -1.382  -7.793  11.888
  222   1HG   GLU  35          2HG       GLU  35   0.064  -7.177  13.693
  223   2HG   GLU  35          1HG       GLU  35   1.041  -7.613  12.302
  224    H    GLU  36           HN       GLU  36   0.574  -4.325  10.740
  225    HA   GLU  36           HA       GLU  36  -1.308  -2.234  10.659
  226   1HB   GLU  36          1HB       GLU  36   1.659  -2.447   9.946
  227   2HB   GLU  36          2HB       GLU  36   0.818  -0.929   9.796
  228   1HG   GLU  36          2HG       GLU  36   0.914  -2.531  12.388
  229   2HG   GLU  36          1HG       GLU  36   2.125  -1.329  11.912
  230    H    LEU  37           H        LEU  37   0.867  -3.362   8.084
  231    HA   LEU  37           HA       LEU  37  -0.157  -1.783   5.987
  232   1HB   LEU  37          1HB       LEU  37   1.331  -4.433   6.080
  233   2HB   LEU  37          2HB       LEU  37   0.928  -3.643   4.559
  234    HG   LEU  37           HG       LEU  37   2.465  -2.148   6.698
  235   1HD1  LEU  37          2HD2      LEU  37   3.570  -3.935   4.501
  236   2HD1  LEU  37          3HD2      LEU  37   4.535  -2.800   5.471
  237   3HD1  LEU  37          1HD2      LEU  37   3.741  -4.177   6.247
  238   1HD2  LEU  37          2HD1      LEU  37   2.216  -1.866   3.675
  239   2HD2  LEU  37          3HD1      LEU  37   1.533  -0.766   4.893
  240   3HD2  LEU  37          1HD1      LEU  37   3.282  -0.893   4.690
  241    H    TYR  38           HN       TYR  38  -0.889  -5.307   6.595
  242    HA   TYR  38           HA       TYR  38  -2.800  -5.714   4.728
  243   1HB   TYR  38          1HB       TYR  38  -2.066  -7.344   6.457
  244   2HB   TYR  38          2HB       TYR  38  -3.025  -6.568   7.648
  245    HD1  TYR  38           HE2      TYR  38  -3.833  -7.522   4.054
  246    HD2  TYR  38           HD1      TYR  38  -4.882  -7.868   8.232
  247    HE1  TYR  38           HE1      TYR  38  -6.017  -8.454   3.429
  248    HE2  TYR  38           HD2      TYR  38  -7.021  -8.937   7.587
  249    HH   TYR  38           HH       TYR  38  -7.948  -9.460   4.174
  250    H    LYS  39           HN       LYS  39  -3.451  -4.623   7.971
  251    HA   LYS  39           HA       LYS  39  -6.180  -4.047   7.712
  252   1HB   LYS  39          2HB       LYS  39  -4.675  -3.918   9.824
  253   2HB   LYS  39          1HB       LYS  39  -4.233  -2.305   9.321
  254   1HG   LYS  39          1HG       LYS  39  -5.908  -2.087  10.967
  255   2HG   LYS  39          2HG       LYS  39  -6.640  -1.608   9.430
  256   1HD   LYS  39          2HD       LYS  39  -7.749  -3.827   9.252
  257   2HD   LYS  39          1HD       LYS  39  -6.970  -4.354  10.751
  258   1HE   LYS  39          1HE       LYS  39  -8.939  -2.027  10.472
  259   2HE   LYS  39          2HE       LYS  39  -9.341  -3.649  11.055
  260   1HZ   LYS  39          2HZ       LYS  39  -7.803  -3.318  12.859
  261   2HZ   LYS  39          3HZ       LYS  39  -7.475  -1.787  12.343
  262   3HZ   LYS  39          1HZ       LYS  39  -8.989  -2.174  12.859
  263    H    LYS  40           HN       LYS  40  -3.485  -1.816   7.137
  264    HA   LYS  40           HA       LYS  40  -5.072   0.406   6.276
  265   1HB   LYS  40          2HB       LYS  40  -2.179  -0.395   5.792
  266   2HB   LYS  40          1HB       LYS  40  -2.871   1.118   5.243
  267   1HG   LYS  40          1HG       LYS  40  -3.255   1.900   7.451
  268   2HG   LYS  40          2HG       LYS  40  -3.157   0.282   8.155
  269   1HD   LYS  40          2HD       LYS  40  -0.732   0.168   7.656
  270   2HD   LYS  40          1HD       LYS  40  -0.794   1.762   6.945
  271   1HE   LYS  40          1HE       LYS  40  -1.647   2.652   9.177
  272   2HE   LYS  40          2HE       LYS  40  -1.357   1.033   9.846
  273   1HZ   LYS  40          3HZ       LYS  40   0.954   1.310   9.083
  274   2HZ   LYS  40          1HZ       LYS  40   0.617   2.866   8.685
  275   3HZ   LYS  40          2HZ       LYS  40   0.506   2.377  10.263
  276    H    MET  41           H        MET  41  -3.324  -2.024   4.118
  277    HA   MET  41           HA       MET  41  -4.472  -0.928   1.770
  278   1HB   MET  41          1HB       MET  41  -4.186  -3.398   0.883
  279   2HB   MET  41          2HB       MET  41  -2.886  -2.230   1.015
  280   1HG   MET  41          2HG       MET  41  -3.209  -4.099   3.299
  281   2HG   MET  41          1HG       MET  41  -2.575  -4.809   1.807
  282   1HE   MET  41          2HE       MET  41  -1.174  -3.765   0.268
  283   2HE   MET  41          3HE       MET  41  -0.236  -2.307   0.636
  284   3HE   MET  41          1HE       MET  41   0.485  -3.920   0.899
  285    H    LYS  42           HN       LYS  42  -5.792  -3.396   4.025
  286    HA   LYS  42           HA       LYS  42  -8.050  -4.045   2.404
  287   1HB   LYS  42          2HB       LYS  42  -7.171  -5.332   4.390
  288   2HB   LYS  42          1HB       LYS  42  -7.810  -4.060   5.446
  289   1HG   LYS  42          2HG       LYS  42 -10.114  -4.552   4.422
  290   2HG   LYS  42          1HG       LYS  42  -9.345  -5.917   3.586
  291   1HD   LYS  42          1HD       LYS  42  -8.563  -6.727   5.900
  292   2HD   LYS  42          2HD       LYS  42  -9.545  -5.434   6.599
  293   1HE   LYS  42          2HE       LYS  42 -10.827  -7.470   6.691
  294   2HE   LYS  42          1HE       LYS  42 -11.574  -6.435   5.461
  295   1HZ   LYS  42          1HZ       LYS  42  -9.698  -8.648   4.957
  296   2HZ   LYS  42          3HZ       LYS  42 -11.334  -8.718   4.758
  297   3HZ   LYS  42          2HZ       LYS  42 -10.430  -7.731   3.798
  298    H    GLY  43           H        GLY  43  -7.503  -1.682   5.024
  299   1HA   GLY  43          2HA       GLY  43  -9.970  -0.443   5.295
  300   2HA   GLY  43          1HA       GLY  43  -8.392   0.325   5.515
  301    H    TYR  44           H        TYR  44  -7.251   0.473   3.129
  302    HA   TYR  44           HA       TYR  44  -8.581   2.597   1.800
  303   1HB   TYR  44          2HB       TYR  44  -6.264   0.750   1.136
  304   2HB   TYR  44          1HB       TYR  44  -6.788   2.028   0.062
  305    HD1  TYR  44           HD1      TYR  44  -7.234   4.335   1.942
  306    HD2  TYR  44           HD2      TYR  44  -4.054   1.445   1.584
  307    HE1  TYR  44           HE1      TYR  44  -5.601   6.002   2.788
  308    HE2  TYR  44           HE2      TYR  44  -2.410   3.251   2.070
  309    HH   TYR  44           HH       TYR  44  -2.082   5.433   2.571
  310    H    ALA  45           H        ALA  45  -7.967  -0.794   0.680
  311    HA   ALA  45           HA       ALA  45  -9.372  -0.632  -1.712
  312   1HB   ALA  45          1HB       ALA  45  -7.953  -2.531  -1.071
  313   2HB   ALA  45          2HB       ALA  45  -9.136  -3.021   0.163
  314   3HB   ALA  45          3HB       ALA  45  -9.565  -3.088  -1.561
  315    H    ASP  46           HN       ASP  46 -10.682  -1.475   1.510
  316    HA   ASP  46           HA       ASP  46 -13.388  -1.898   0.638
  317   1HB   ASP  46          2HB       ASP  46 -12.554  -2.822   2.728
  318   2HB   ASP  46          1HB       ASP  46 -12.170  -1.208   3.342
  319    H    GLY  47           H        GLY  47 -11.574   0.960   1.790
  320   1HA   GLY  47          2HA       GLY  47 -12.084   3.147   1.082
  321   2HA   GLY  47          1HA       GLY  47 -13.802   2.754   0.940
  322    H    SER  48           H        SER  48 -12.194   1.488   3.793
  323    HA   SER  48           HA       SER  48 -13.726   3.282   5.542
  324   1HB   SER  48          2HB       SER  48 -12.014   1.630   7.043
  325   2HB   SER  48          1HB       SER  48 -13.736   1.365   6.728
  326    HG   SER  48           HG       SER  48 -13.226   0.072   5.016
  327    H    TYR  49           H        TYR  49 -10.419   2.583   4.478
  328    HA   TYR  49           HA       TYR  49  -9.372   4.840   6.117
  329   1HB   TYR  49          2HB       TYR  49  -8.218   2.515   6.255
  330   2HB   TYR  49          1HB       TYR  49  -7.800   2.756   4.566
  331    HD1  TYR  49           HD2      TYR  49  -7.714   5.168   7.492
  332    HD2  TYR  49           HD1      TYR  49  -5.436   2.808   4.690
  333    HE1  TYR  49           HE2      TYR  49  -5.657   6.316   8.192
  334    HE2  TYR  49           HE1      TYR  49  -3.375   3.949   5.417
  335    HH   TYR  49           HH       TYR  49  -2.445   5.576   6.844
  336    H    GLY  50           H        GLY  50  -8.187   6.543   4.963
  337   1HA   GLY  50          2HA       GLY  50  -7.504   6.875   2.364
  338   2HA   GLY  50          1HA       GLY  50  -9.244   7.028   2.286
  339    H    GLY  51           H        GLY  51  -8.665   9.329   1.666
  340   1HA   GLY  51          2HA       GLY  51  -9.381  11.341   3.125
  341   2HA   GLY  51          1HA       GLY  51  -7.855  11.063   3.965
  342    H    GLU  52           HN       GLU  52  -9.286  12.745   1.445
  343    HA   GLU  52           HA       GLU  52  -8.582  13.995  -0.286
  344   1HB   GLU  52          2HB       GLU  52  -7.895  15.187   1.765
  345   2HB   GLU  52          1HB       GLU  52  -6.299  14.465   1.684
  346   1HG   GLU  52          1HG       GLU  52  -6.054  15.658  -0.619
  347   2HG   GLU  52          2HG       GLU  52  -7.601  16.430  -0.263
  348    H    ARG  53           HN       ARG  53  -5.200  13.738   0.241
  349    HA   ARG  53           HA       ARG  53  -4.504  13.017  -2.343
  350   1HB   ARG  53          1HB       ARG  53  -2.300  12.832  -1.414
  351   2HB   ARG  53          2HB       ARG  53  -3.138  14.141  -0.615
  352   1HG   ARG  53          1HG       ARG  53  -3.657  12.328   1.265
  353   2HG   ARG  53          2HG       ARG  53  -2.401  11.375   0.468
  354   1HD   ARG  53          2HD       ARG  53  -1.399  12.688   2.271
  355   2HD   ARG  53          1HD       ARG  53  -0.843  13.332   0.715
  356    HE   ARG  53           HE       ARG  53  -3.261  14.622   1.733
  357   1HH1  ARG  53          1HH1      ARG  53   0.283  14.685   1.952
  358   2HH1  ARG  53          2HH1      ARG  53   0.338  16.388   2.322
  359   1HH2  ARG  53          1HH2      ARG  53  -3.178  16.819   2.122
  360   2HH2  ARG  53          2HH2      ARG  53  -1.665  17.616   2.486
  361    H    LYS  54           HN       LYS  54  -5.258  11.002   0.457
  362    HA   LYS  54           HA       LYS  54  -4.081   8.602  -0.561
  363   1HB   LYS  54          1HB       LYS  54  -6.240   8.887   1.534
  364   2HB   LYS  54          2HB       LYS  54  -5.148   7.516   1.265
  365   1HG   LYS  54          2HG       LYS  54  -3.219   9.010   1.740
  366   2HG   LYS  54          1HG       LYS  54  -4.330  10.319   2.138
  367   1HD   LYS  54          1HD       LYS  54  -5.371   8.909   3.932
  368   2HD   LYS  54          2HD       LYS  54  -4.128   7.689   3.639
  369   1HE   LYS  54          2HE       LYS  54  -3.444   9.011   5.522
  370   2HE   LYS  54          1HE       LYS  54  -2.365   9.403   4.177
  371   1HZ   LYS  54          1HZ       LYS  54  -4.687  10.991   5.028
  372   2HZ   LYS  54          2HZ       LYS  54  -3.110  11.342   5.351
  373   3HZ   LYS  54          3HZ       LYS  54  -3.660  11.379   3.799
  374    H    ALA  55           H        ALA  55  -6.801  10.299  -1.644
  375    HA   ALA  55           HA       ALA  55  -8.618   8.190  -2.268
  376   1HB   ALA  55          2HB       ALA  55  -8.055  10.780  -3.776
  377   2HB   ALA  55          3HB       ALA  55  -9.473   9.732  -3.997
  378   3HB   ALA  55          1HB       ALA  55  -9.222  10.563  -2.450
  379    H    MET  56           H        MET  56  -5.766   9.475  -4.012
  380    HA   MET  56           HA       MET  56  -6.102   7.897  -6.402
  381   1HB   MET  56          1HB       MET  56  -3.596   9.153  -5.160
  382   2HB   MET  56          2HB       MET  56  -3.691   8.398  -6.757
  383   1HG   MET  56          2HG       MET  56  -3.897  10.670  -7.204
  384   2HG   MET  56          1HG       MET  56  -5.549  10.061  -7.310
  385   1HE   MET  56          1HE       MET  56  -5.283  13.022  -7.388
  386   2HE   MET  56          2HE       MET  56  -6.859  12.233  -7.115
  387   3HE   MET  56          3HE       MET  56  -6.355  13.596  -6.088
  388    H    MET  57           H        MET  57  -4.069   7.557  -3.548
  389    HA   MET  57           HA       MET  57  -2.892   5.066  -3.877
  390   1HB   MET  57          2HB       MET  57  -2.276   6.579  -2.116
  391   2HB   MET  57          1HB       MET  57  -3.912   6.619  -1.462
  392   1HG   MET  57          1HG       MET  57  -2.368   5.313  -0.067
  393   2HG   MET  57          2HG       MET  57  -3.780   4.416  -0.623
  394   1HE   MET  57          1HE       MET  57  -3.692   2.226  -1.325
  395   2HE   MET  57          3HE       MET  57  -2.264   1.296  -1.802
  396   3HE   MET  57          2HE       MET  57  -2.433   1.863  -0.124
  397    H    THR  58           H        THR  58  -6.011   5.841  -2.315
  398    HA   THR  58           HA       THR  58  -6.908   3.254  -1.751
  399    HB   THR  58           HB       THR  58  -8.448   5.800  -2.387
  400    HG1  THR  58           HG1      THR  58  -7.206   5.853  -0.538
  401   1HG2  THR  58          1HG2      THR  58  -9.433   3.102  -1.487
  402   2HG2  THR  58          3HG2      THR  58 -10.314   4.603  -1.129
  403   3HG2  THR  58          2HG2      THR  58 -10.049   4.102  -2.810
  404    H    ASN  59           H        ASN  59  -7.602   5.234  -4.714
  405    HA   ASN  59           HA       ASN  59  -9.078   3.204  -5.998
  406   1HB   ASN  59          1HB       ASN  59  -8.835   5.637  -6.680
  407   2HB   ASN  59          2HB       ASN  59  -7.304   5.200  -7.443
  408   1HD2  ASN  59          1HD2      ASN  59  -9.725   2.931  -9.571
  409   2HD2  ASN  59          2HD2      ASN  59  -8.771   2.361  -8.216
  410    H    ALA  60           H        ALA  60  -5.523   3.791  -5.897
  411    HA   ALA  60           HA       ALA  60  -4.837   1.897  -7.905
  412   1HB   ALA  60          2HB       ALA  60  -3.270   3.587  -7.016
  413   2HB   ALA  60          1HB       ALA  60  -3.178   2.707  -5.477
  414   3HB   ALA  60          3HB       ALA  60  -2.598   1.946  -6.965
  415    H    VAL  61           H        VAL  61  -4.835   1.449  -4.305
  416    HA   VAL  61           HA       VAL  61  -4.342  -1.374  -4.590
  417    HB   VAL  61           HB       VAL  61  -3.709  -0.129  -2.627
  418   1HG1  VAL  61          3HG1      VAL  61  -5.711   1.327  -2.359
  419   2HG1  VAL  61          2HG1      VAL  61  -6.669  -0.081  -1.869
  420   3HG1  VAL  61          1HG1      VAL  61  -5.290   0.451  -0.885
  421   1HG2  VAL  61          3HG2      VAL  61  -3.969  -2.587  -2.532
  422   2HG2  VAL  61          2HG2      VAL  61  -4.239  -1.788  -0.972
  423   3HG2  VAL  61          1HG2      VAL  61  -5.623  -2.366  -1.911
  424    H    LYS  62           HN       LYS  62  -7.369   0.488  -4.432
  425    HA   LYS  62           HA       LYS  62  -9.173  -1.569  -3.876
  426   1HB   LYS  62          1HB       LYS  62  -9.751   0.769  -3.904
  427   2HB   LYS  62          2HB       LYS  62  -9.462   0.882  -5.648
  428   1HG   LYS  62          1HG       LYS  62 -11.348  -0.492  -6.156
  429   2HG   LYS  62          2HG       LYS  62 -11.586  -0.946  -4.461
  430   1HD   LYS  62          1HD       LYS  62 -11.739   1.950  -5.416
  431   2HD   LYS  62          2HD       LYS  62 -13.136   0.863  -5.476
  432   1HE   LYS  62          1HE       LYS  62 -13.065   0.496  -3.071
  433   2HE   LYS  62          2HE       LYS  62 -11.607   1.484  -2.901
  434   1HZ   LYS  62          2HZ       LYS  62 -14.221   2.432  -3.827
  435   2HZ   LYS  62          1HZ       LYS  62 -13.559   2.684  -2.340
  436   3HZ   LYS  62          3HZ       LYS  62 -12.864   3.357  -3.674
  437    H    LYS  63           HN       LYS  63  -7.281  -1.159  -6.863
  438    HA   LYS  63           HA       LYS  63  -9.080  -2.713  -8.470
  439   1HB   LYS  63          1HB       LYS  63  -6.529  -1.267  -8.740
  440   2HB   LYS  63          2HB       LYS  63  -6.500  -2.809  -9.544
  441   1HG   LYS  63          2HG       LYS  63  -7.266  -1.078 -11.060
  442   2HG   LYS  63          1HG       LYS  63  -8.592  -2.214 -10.767
  443   1HD   LYS  63          2HD       LYS  63  -9.577  -0.629  -9.091
  444   2HD   LYS  63          1HD       LYS  63  -8.229   0.479  -9.352
  445   1HE   LYS  63          2HE       LYS  63 -10.188  -0.425 -11.527
  446   2HE   LYS  63          1HE       LYS  63 -10.363   1.063 -10.592
  447   1HZ   LYS  63          2HZ       LYS  63  -8.241   1.781 -11.446
  448   2HZ   LYS  63          3HZ       LYS  63  -8.105   0.409 -12.349
  449   3HZ   LYS  63          1HZ       LYS  63  -9.309   1.485 -12.666
  450    H    ALA  64           H        ALA  64  -6.878  -3.567  -5.943
  451    HA   ALA  64           HA       ALA  64  -6.267  -6.289  -6.971
  452   1HB   ALA  64          1HB       ALA  64  -4.543  -4.825  -5.901
  453   2HB   ALA  64          2HB       ALA  64  -5.472  -4.904  -4.393
  454   3HB   ALA  64          3HB       ALA  64  -4.777  -6.378  -5.094
  455    H    SER  65           H        SER  65  -6.380  -7.929  -4.975
  456    HA   SER  65           HA       SER  65  -9.113  -7.819  -3.780
  457   1HB   SER  65          2HB       SER  65  -9.072  -9.262  -5.858
  458   2HB   SER  65          1HB       SER  65  -7.878 -10.294  -5.044
  459    HG   SER  65           HG       SER  65 -10.584  -9.818  -4.381
  460    H    ASP  66           HN       ASP  66  -9.326  -9.407  -1.994
  461    HA   ASP  66           HA       ASP  66  -7.699  -8.745   0.096
  462   1HB   ASP  66          1HB       ASP  66  -9.899  -9.810   0.340
  463   2HB   ASP  66          2HB       ASP  66  -9.217 -11.364  -0.180
  464    H    GLU  67           HN       GLU  67  -7.260 -11.823  -1.830
  465    HA   GLU  67           HA       GLU  67  -5.147 -12.852  -0.373
  466   1HB   GLU  67          1HB       GLU  67  -5.786 -12.991  -3.369
  467   2HB   GLU  67          2HB       GLU  67  -4.838 -14.109  -2.406
  468   1HG   GLU  67          2HG       GLU  67  -7.838 -13.691  -2.230
  469   2HG   GLU  67          1HG       GLU  67  -6.967 -15.136  -2.729
  470    H    GLU  68           HN       GLU  68  -5.226 -10.464  -2.961
  471    HA   GLU  68           HA       GLU  68  -2.374 -10.336  -3.398
  472   1HB   GLU  68          1HB       GLU  68  -4.411  -8.156  -3.868
  473   2HB   GLU  68          2HB       GLU  68  -2.882  -8.323  -4.648
  474   1HG   GLU  68          2HG       GLU  68  -5.196 -10.296  -5.051
  475   2HG   GLU  68          1HG       GLU  68  -4.856  -8.905  -6.082
  476    H    LEU  69           H        LEU  69  -4.819  -8.299  -1.513
  477    HA   LEU  69           HA       LEU  69  -3.101  -6.464  -0.467
  478   1HB   LEU  69          2HB       LEU  69  -5.492  -7.733   0.922
  479   2HB   LEU  69          1HB       LEU  69  -4.726  -6.185   1.169
  480    HG   LEU  69           HG       LEU  69  -6.470  -6.988  -1.129
  481   1HD1  LEU  69          3HD1      LEU  69  -7.447  -6.120   0.982
  482   2HD1  LEU  69          1HD1      LEU  69  -6.506  -4.627   0.744
  483   3HD1  LEU  69          2HD1      LEU  69  -7.757  -5.086  -0.431
  484   1HD2  LEU  69          3HD2      LEU  69  -4.662  -4.551  -0.978
  485   2HD2  LEU  69          2HD2      LEU  69  -4.627  -5.816  -2.224
  486   3HD2  LEU  69          1HD2      LEU  69  -6.028  -4.739  -2.096
  487    H    LYS  70           HN       LYS  70  -3.963  -9.678   0.923
  488    HA   LYS  70           HA       LYS  70  -2.484  -9.418   3.347
  489   1HB   LYS  70          1HB       LYS  70  -3.268 -11.822   1.654
  490   2HB   LYS  70          2HB       LYS  70  -2.457 -11.974   3.227
  491   1HG   LYS  70          2HG       LYS  70  -4.281 -10.678   4.285
  492   2HG   LYS  70          1HG       LYS  70  -5.163 -10.653   2.752
  493   1HD   LYS  70          1HD       LYS  70  -4.421 -13.149   4.369
  494   2HD   LYS  70          2HD       LYS  70  -5.983 -12.329   4.352
  495   1HE   LYS  70          1HE       LYS  70  -6.390 -14.061   2.891
  496   2HE   LYS  70          2HE       LYS  70  -5.995 -12.745   1.785
  497   1HZ   LYS  70          3HZ       LYS  70  -4.180 -14.881   2.695
  498   2HZ   LYS  70          2HZ       LYS  70  -4.913 -14.794   1.221
  499   3HZ   LYS  70          1HZ       LYS  70  -3.769 -13.685   1.639
  500    H    ALA  71           H        ALA  71  -1.566 -10.823   0.174
  501    HA   ALA  71           HA       ALA  71   1.109 -11.408   1.026
  502   1HB   ALA  71          3HB       ALA  71  -0.067 -12.562  -0.826
  503   2HB   ALA  71          1HB       ALA  71  -0.074 -11.054  -1.763
  504   3HB   ALA  71          2HB       ALA  71   1.472 -11.856  -1.364
  505    H    LEU  72           H        LEU  72  -0.372  -8.483  -0.363
  506    HA   LEU  72           HA       LEU  72   2.060  -7.266  -1.226
  507   1HB   LEU  72          1HB       LEU  72  -0.452  -6.889  -1.737
  508   2HB   LEU  72          2HB       LEU  72  -0.525  -5.887  -0.329
  509    HG   LEU  72           HG       LEU  72   0.644  -4.164  -1.394
  510   1HD1  LEU  72          2HD1      LEU  72   1.802  -6.150  -3.353
  511   2HD1  LEU  72          3HD1      LEU  72   1.990  -4.394  -3.459
  512   3HD1  LEU  72          1HD1      LEU  72   2.688  -5.263  -2.088
  513   1HD2  LEU  72          1HD2      LEU  72  -0.790  -5.738  -3.589
  514   2HD2  LEU  72          3HD2      LEU  72  -1.529  -4.576  -2.470
  515   3HD2  LEU  72          2HD2      LEU  72  -0.385  -4.038  -3.714
  516    H    ALA  73           H        ALA  73  -0.050  -6.935   1.599
  517    HA   ALA  73           HA       ALA  73   1.549  -5.324   3.237
  518   1HB   ALA  73          3HB       ALA  73  -0.762  -5.994   3.777
  519   2HB   ALA  73          1HB       ALA  73  -0.250  -7.663   4.060
  520   3HB   ALA  73          2HB       ALA  73   0.336  -6.378   5.123
  521    H    ASP  74           HN       ASP  74   1.522  -8.961   3.140
  522    HA   ASP  74           HA       ASP  74   3.586  -9.362   4.987
  523   1HB   ASP  74          1HB       ASP  74   2.205 -11.179   4.101
  524   2HB   ASP  74          2HB       ASP  74   2.923 -10.979   2.494
  525    H    TYR  75           H        TYR  75   3.873  -9.029   1.428
  526    HA   TYR  75           HA       TYR  75   6.638  -9.280   1.179
  527   1HB   TYR  75          2HB       TYR  75   4.937  -9.288  -0.630
  528   2HB   TYR  75          1HB       TYR  75   4.729  -7.552  -0.455
  529    HD1  TYR  75           HD2      TYR  75   6.936 -10.273  -1.621
  530    HD2  TYR  75           HD1      TYR  75   6.428  -5.998  -1.338
  531    HE1  TYR  75           HE2      TYR  75   8.669  -9.954  -3.357
  532    HE2  TYR  75           HE1      TYR  75   8.193  -5.689  -3.052
  533    HH   TYR  75           HH       TYR  75   9.875  -8.425  -4.601
  534    H    MET  76           H        MET  76   4.756  -6.181   1.467
  535    HA   MET  76           HA       MET  76   7.144  -4.586   1.675
  536   1HB   MET  76          1HB       MET  76   4.241  -4.051   2.329
  537   2HB   MET  76          2HB       MET  76   5.527  -2.857   2.603
  538   1HG   MET  76          1HG       MET  76   6.235  -3.161   0.193
  539   2HG   MET  76          2HG       MET  76   4.771  -4.121  -0.061
  540   1HE   MET  76          2HE       MET  76   2.580  -2.679   1.539
  541   2HE   MET  76          1HE       MET  76   2.009  -1.425   0.417
  542   3HE   MET  76          3HE       MET  76   2.379  -3.066  -0.190
  543    H    SER  77           H        SER  77   5.346  -6.408   4.104
  544    HA   SER  77           HA       SER  77   6.699  -5.145   6.335
  545   1HB   SER  77          1HB       SER  77   4.504  -6.326   6.458
  546   2HB   SER  77          2HB       SER  77   5.366  -7.861   6.246
  547    HG   SER  77           HG       SER  77   6.667  -7.160   8.094
  548    H    LYS  78           HN       LYS  78   8.181  -6.842   3.885
  549    HA   LYS  78           HA       LYS  78  10.201  -8.044   5.706
  550   1HB   LYS  78          1HB       LYS  78   8.522  -9.752   4.738
  551   2HB   LYS  78          2HB       LYS  78   9.103  -9.252   3.150
  552   1HG   LYS  78          1HG       LYS  78  11.491  -9.910   4.100
  553   2HG   LYS  78          2HG       LYS  78  10.590 -10.652   5.413
  554   1HD   LYS  78          2HD       LYS  78  11.168 -12.293   3.682
  555   2HD   LYS  78          1HD       LYS  78   9.413 -12.129   3.838
  556   1HE   LYS  78          2HE       LYS  78  10.328 -12.287   1.459
  557   2HE   LYS  78          1HE       LYS  78   9.231 -10.944   1.762
  558   1HZ   LYS  78          1HZ       LYS  78  12.164 -10.765   1.725
  559   2HZ   LYS  78          2HZ       LYS  78  11.145 -10.256   0.533
  560   3HZ   LYS  78          3HZ       LYS  78  11.135  -9.508   2.000
  561    H    LEU  79           H        LEU  79  10.167  -5.384   4.684
  562    HA   LEU  79           HA       LEU  79  12.357  -5.267   2.850
  563   1HB   LEU  79          1HB       LEU  79   9.403  -4.762   2.356
  564   2HB   LEU  79          2HB       LEU  79  10.468  -3.498   1.892
  565    HG   LEU  79           HG       LEU  79  10.527  -6.387   0.872
  566   1HD1  LEU  79          2HD2      LEU  79   9.783  -3.781  -0.511
  567   2HD1  LEU  79          1HD2      LEU  79   9.875  -5.374  -1.281
  568   3HD1  LEU  79          3HD2      LEU  79   8.669  -5.073  -0.018
  569   1HD2  LEU  79          3HD1      LEU  79  12.371  -4.053   0.224
  570   2HD2  LEU  79          1HD1      LEU  79  12.826  -5.679   0.776
  571   3HD2  LEU  79          2HD1      LEU  79  12.178  -5.459  -0.846
  572    HHA  HEC   1           HHA      HEM   1   1.115   4.936   2.952
  573    HHB  HEC   1           HHB      HEM   1  -0.190  -0.490  -0.086
  574    HHC  HEC   1           HHC      HEM   1   0.961   2.601  -5.611
  575    HHD  HEC   1           HHD      HEM   1   0.464   8.147  -2.487
  576   1HMA  HEC   1          1HMA      HEM   1  -0.582  -0.014   3.697
  577   2HMA  HEC   1          2HMA      HEM   1   0.449  -0.829   2.500
  578   3HMA  HEC   1          3HMA      HEM   1  -1.263  -0.473   2.136
  579   1HAA  HEC   1          1HAA      HEM   1   0.664   1.633   4.697
  580   2HAA  HEC   1          2HAA      HEM   1   1.505   3.108   4.263
  581   1HBA  HEC   1          1HBA      HEM   1  -1.406   2.679   4.997
  582   2HBA  HEC   1          2HBA      HEM   1  -1.002   4.068   4.040
  583   1HMB  HEC   1          1HMB      HEM   1  -0.814  -1.949  -2.463
  584   2HMB  HEC   1          2HMB      HEM   1   0.719  -1.915  -1.555
  585   3HMB  HEC   1          3HMB      HEM   1   0.753  -2.234  -3.270
  586    HAB  HEC   1           HAB      HEM   1   0.987   0.555  -6.074
  587   1HBB  HEC   1          1HBB      HEM   1  -1.223  -0.497  -5.936
  588   2HBB  HEC   1          2HBB      HEM   1  -0.523  -1.887  -5.087
  589   3HBB  HEC   1          3HBB      HEM   1  -0.029  -1.536  -6.746
  590   1HMC  HEC   1          1HMC      HEM   1   2.102   4.487  -6.946
  591   2HMC  HEC   1          2HMC      HEM   1   0.333   4.425  -7.106
  592   3HMC  HEC   1          3HMC      HEM   1   1.181   5.960  -7.304
  593    HAC  HEC   1           HAC      HEM   1   1.887   8.396  -4.270
  594   1HBC  HEC   1          1HBC      HEM   1   0.809   9.540  -6.114
  595   2HBC  HEC   1          2HBC      HEM   1   0.147   8.011  -6.718
  596   3HBC  HEC   1          3HBC      HEM   1  -0.405   8.655  -5.159
  597   1HMD  HEC   1          1HMD      HEM   1  -0.653   9.667   0.886
  598   2HMD  HEC   1          2HMD      HEM   1  -1.168   9.231  -0.749
  599   3HMD  HEC   1          3HMD      HEM   1   0.521   9.715  -0.438
  600   1HAD  HEC   1          1HAD      HEM   1  -1.302   7.744   2.829
  601   2HAD  HEC   1          2HAD      HEM   1   0.163   8.693   2.782
  602   1HBD  HEC   1          1HBD      HEM   1  -0.257   6.046   4.176
  603   2HBD  HEC   1          2HBD      HEM   1   1.345   6.773   4.051
   
  No H/Q in entry =         603
  Start of MODEL    9
    1   1H    ALA   1          3H        ALA   1  -0.444 -10.344  -9.289
    2   2H    ALA   1          2H        ALA   1  -1.271 -11.479 -10.194
    3   3H    ALA   1          1H        ALA   1  -1.837 -10.963  -8.719
    4    HA   ALA   1           HA       ALA   1  -0.920 -13.044  -8.345
    5   1HB   ALA   1          3HB       ALA   1   0.553 -13.139 -10.332
    6   2HB   ALA   1          2HB       ALA   1   1.631 -11.932  -9.595
    7   3HB   ALA   1          1HB       ALA   1   1.439 -13.527  -8.846
    8    H    ASP   2           HN       ASP   2   0.216 -13.484  -6.406
    9    HA   ASP   2           HA       ASP   2  -0.051 -11.829  -4.349
   10   1HB   ASP   2          1HB       ASP   2   2.026 -14.010  -4.731
   11   2HB   ASP   2          2HB       ASP   2   1.576 -13.338  -3.168
   12    H    GLY   3           H        GLY   3   0.663  -9.780  -4.110
   13   1HA   GLY   3          1HA       GLY   3   2.062  -8.242  -3.146
   14   2HA   GLY   3          2HA       GLY   3   3.348  -9.422  -3.182
   15    H    ALA   4           H        ALA   4   4.097  -9.962  -5.400
   16    HA   ALA   4           HA       ALA   4   5.734  -7.774  -6.156
   17   1HB   ALA   4          3HB       ALA   4   6.440 -10.097  -6.369
   18   2HB   ALA   4          1HB       ALA   4   5.251 -10.378  -7.657
   19   3HB   ALA   4          2HB       ALA   4   6.603  -9.255  -7.922
   20    H    ALA   5           H        ALA   5   3.222  -9.321  -8.179
   21    HA   ALA   5           HA       ALA   5   3.467  -7.646 -10.415
   22   1HB   ALA   5          1HB       ALA   5   2.214  -9.752 -10.431
   23   2HB   ALA   5          2HB       ALA   5   0.988  -9.028  -9.356
   24   3HB   ALA   5          3HB       ALA   5   1.198  -8.413 -11.011
   25    H    LEU   6           H        LEU   6   1.597  -7.116  -7.416
   26    HA   LEU   6           HA       LEU   6   0.284  -4.709  -8.357
   27   1HB   LEU   6          1HB       LEU   6   0.773  -5.937  -5.627
   28   2HB   LEU   6          2HB       LEU   6  -0.095  -4.418  -5.905
   29    HG   LEU   6           HG       LEU   6  -1.685  -5.671  -7.380
   30   1HD1  LEU   6          3HD2      LEU   6  -0.276  -8.114  -6.244
   31   2HD1  LEU   6          2HD2      LEU   6  -1.904  -8.140  -6.956
   32   3HD1  LEU   6          1HD2      LEU   6  -0.536  -7.718  -7.965
   33   1HD2  LEU   6          2HD1      LEU   6  -2.102  -5.085  -4.962
   34   2HD2  LEU   6          3HD1      LEU   6  -2.946  -6.548  -5.478
   35   3HD2  LEU   6          1HD1      LEU   6  -1.463  -6.679  -4.503
   36    H    TYR   7           H        TYR   7   2.959  -5.452  -6.080
   37    HA   TYR   7           HA       TYR   7   3.651  -2.935  -5.355
   38   1HB   TYR   7          1HB       TYR   7   4.530  -5.063  -4.389
   39   2HB   TYR   7          2HB       TYR   7   5.699  -5.131  -5.711
   40    HD1  TYR   7           HD1      TYR   7   4.410  -2.982  -2.940
   41    HD2  TYR   7           HD2      TYR   7   7.689  -3.688  -5.631
   42    HE1  TYR   7           HE1      TYR   7   5.767  -1.290  -1.729
   43    HE2  TYR   7           HE2      TYR   7   9.042  -1.994  -4.418
   44    HH   TYR   7           HH       TYR   7   8.907  -0.211  -2.873
   45    H    LYS   8           HN       LYS   8   4.874  -4.588  -8.328
   46    HA   LYS   8           HA       LYS   8   6.866  -2.783  -8.992
   47   1HB   LYS   8          1HB       LYS   8   6.627  -3.493 -11.272
   48   2HB   LYS   8          2HB       LYS   8   6.382  -4.849 -10.173
   49   1HG   LYS   8          1HG       LYS   8   4.570  -5.286 -11.420
   50   2HG   LYS   8          2HG       LYS   8   3.793  -4.036 -10.455
   51   1HD   LYS   8          1HD       LYS   8   4.264  -2.334 -12.185
   52   2HD   LYS   8          2HD       LYS   8   5.203  -3.510 -13.117
   53   1HE   LYS   8          1HE       LYS   8   2.958  -3.188 -14.063
   54   2HE   LYS   8          2HE       LYS   8   3.201  -4.860 -13.531
   55   1HZ   LYS   8          2HZ       LYS   8   1.800  -2.804 -11.958
   56   2HZ   LYS   8          3HZ       LYS   8   1.063  -3.940 -12.903
   57   3HZ   LYS   8          1HZ       LYS   8   1.946  -4.400 -11.592
   58    H    SER   9           H        SER   9   3.381  -2.213  -9.195
   59    HA   SER   9           HA       SER   9   3.521   0.232 -10.742
   60   1HB   SER   9          1HB       SER   9   1.292  -0.453  -8.795
   61   2HB   SER   9          2HB       SER   9   1.196   0.267 -10.405
   62    HG   SER   9           HG       SER   9   1.527  -2.415  -9.592
   63    H    CYS  10           H        CYS  10   3.505  -0.733  -7.410
   64    HA   CYS  10           HA       CYS  10   2.735   1.633  -6.029
   65   1HB   CYS  10          1HB       CYS  10   2.742  -0.932  -5.553
   66   2HB   CYS  10          2HB       CYS  10   4.369  -0.628  -4.881
   67    H    ILE  11           H        ILE  11   5.767   0.145  -7.038
   68    HA   ILE  11           HA       ILE  11   7.695   1.615  -5.762
   69    HB   ILE  11           HB       ILE  11   7.516   0.816  -8.674
   70   1HG1  ILE  11          1HG1      ILE  11   9.022  -0.404  -6.299
   71   2HG1  ILE  11          2HG1      ILE  11   7.518  -1.027  -6.973
   72   1HG2  ILE  11          3HG2      ILE  11   9.217   2.628  -8.499
   73   2HG2  ILE  11          2HG2      ILE  11  10.037   1.708  -7.217
   74   3HG2  ILE  11          1HG2      ILE  11   9.953   1.090  -8.876
   75   1HD1  ILE  11          3HD1      ILE  11   8.753  -1.338  -9.185
   76   2HD1  ILE  11          2HD1      ILE  11  10.253  -1.036  -8.275
   77   3HD1  ILE  11          1HD1      ILE  11   9.223  -2.404  -7.842
   78    H    GLY  12           H        GLY  12   5.472   2.724  -8.333
   79   1HA   GLY  12          1HA       GLY  12   6.557   5.108  -9.171
   80   2HA   GLY  12          2HA       GLY  12   4.829   4.807  -8.929
   81    H    CYS  13           H        CYS  13   4.907   4.487  -5.976
   82    HA   CYS  13           HA       CYS  13   5.515   7.358  -5.248
   83   1HB   CYS  13          2HB       CYS  13   3.282   5.534  -4.481
   84   2HB   CYS  13          1HB       CYS  13   3.676   6.983  -3.558
   85    H    HIS  14           HN       HIS  14   6.153   3.999  -4.507
   86    HA   HIS  14           HA       HIS  14   7.287   4.882  -1.868
   87   1HB   HIS  14          2HB       HIS  14   6.056   2.255  -2.706
   88   2HB   HIS  14          1HB       HIS  14   6.841   2.578  -1.154
   89    HD1  HIS  14           HD1      HIS  14   5.817   5.114  -0.092
   90    HD2  HIS  14           HD2      HIS  14   3.378   2.763  -2.514
   91    HE1  HIS  14           HE1      HIS  14   3.453   5.501   0.677
   92    H    GLY  15           H        GLY  15   8.353   3.898  -4.933
   93   1HA   GLY  15          2HA       GLY  15  10.488   3.360  -5.610
   94   2HA   GLY  15          1HA       GLY  15  11.032   3.801  -3.977
   95    H    ALA  16           H        ALA  16  12.567   2.020  -4.258
   96    HA   ALA  16           HA       ALA  16  11.566  -0.725  -4.275
   97   1HB   ALA  16          1HB       ALA  16  14.333   0.411  -3.678
   98   2HB   ALA  16          3HB       ALA  16  13.928  -1.305  -3.891
   99   3HB   ALA  16          2HB       ALA  16  13.746  -0.178  -5.249
  100    H    ASP  17           HN       ASP  17  13.107   1.435  -1.856
  101    HA   ASP  17           HA       ASP  17  12.753  -0.485   0.304
  102   1HB   ASP  17          1HB       ASP  17  13.998   1.007   1.615
  103   2HB   ASP  17          2HB       ASP  17  14.832   0.826   0.066
  104    H    GLY  18           H        GLY  18  10.356   0.107  -0.630
  105   1HA   GLY  18          1HA       GLY  18   8.289   1.181  -0.344
  106   2HA   GLY  18          2HA       GLY  18   8.528   0.357   1.191
  107    H    SER  19           H        SER  19   9.724   3.472  -0.236
  108    HA   SER  19           HA       SER  19   8.894   4.849   2.288
  109   1HB   SER  19          1HB       SER  19  10.921   6.153   2.152
  110   2HB   SER  19          2HB       SER  19  11.298   4.431   2.280
  111    HG   SER  19           HG       SER  19  11.984   4.410   0.207
  112    H    LYS  20           HN       LYS  20  10.455   6.625  -0.062
  113    HA   LYS  20           HA       LYS  20   9.974   8.662  -0.846
  114   1HB   LYS  20          2HB       LYS  20   8.656   6.620  -2.493
  115   2HB   LYS  20          1HB       LYS  20   8.070   8.271  -2.773
  116   1HG   LYS  20          2HG       LYS  20  10.462   9.020  -3.008
  117   2HG   LYS  20          1HG       LYS  20  10.934   7.309  -3.037
  118   1HD   LYS  20          1HD       LYS  20   8.970   8.701  -4.944
  119   2HD   LYS  20          2HD       LYS  20  10.669   8.361  -5.307
  120   1HE   LYS  20          2HE       LYS  20  10.259   5.941  -5.108
  121   2HE   LYS  20          1HE       LYS  20   8.556   6.248  -4.709
  122   1HZ   LYS  20          3HZ       LYS  20   9.827   6.965  -7.244
  123   2HZ   LYS  20          1HZ       LYS  20   8.837   5.670  -6.968
  124   3HZ   LYS  20          2HZ       LYS  20   8.237   7.190  -6.841
  125    H    ALA  21           H        ALA  21   9.190  10.339   0.147
  126    HA   ALA  21           HA       ALA  21   6.462  10.497   1.186
  127   1HB   ALA  21          1HB       ALA  21   8.711  12.539   0.921
  128   2HB   ALA  21          2HB       ALA  21   7.166  12.821   1.741
  129   3HB   ALA  21          3HB       ALA  21   8.289  11.597   2.370
  130    H    ALA  22           H        ALA  22   5.746   9.828  -1.070
  131    HA   ALA  22           HA       ALA  22   5.848  11.580  -3.316
  132   1HB   ALA  22          3HB       ALA  22   4.005   9.285  -2.602
  133   2HB   ALA  22          2HB       ALA  22   4.067  10.093  -4.193
  134   3HB   ALA  22          1HB       ALA  22   5.485   9.238  -3.562
  135    H    MET  23           H        MET  23   2.761  10.769  -2.154
  136    HA   MET  23           HA       MET  23   1.751  13.501  -2.544
  137   1HB   MET  23          2HB       MET  23   0.417  10.950  -1.561
  138   2HB   MET  23          1HB       MET  23  -0.420  12.500  -1.762
  139   1HG   MET  23          1HG       MET  23   1.010  11.044  -4.007
  140   2HG   MET  23          2HG       MET  23  -0.724  10.959  -3.665
  141   1HE   MET  23          2HE       MET  23  -1.226  11.532  -6.155
  142   2HE   MET  23          3HE       MET  23  -0.637  12.995  -6.977
  143   3HE   MET  23          1HE       MET  23   0.510  11.713  -6.526
  144    H    GLY  24           H        GLY  24   3.485  14.219  -1.000
  145   1HA   GLY  24          1HA       GLY  24   3.734  15.509   0.934
  146   2HA   GLY  24          2HA       GLY  24   2.234  14.840   1.603
  147    H    SER  25           H        SER  25   3.891  14.852   3.501
  148    HA   SER  25           HA       SER  25   5.983  13.053   3.736
  149   1HB   SER  25          1HB       SER  25   4.172  14.032   5.968
  150   2HB   SER  25          2HB       SER  25   5.905  13.638   6.024
  151    HG   SER  25           HG       SER  25   5.542  15.911   5.819
  152    H    ALA  26           H        ALA  26   4.781  11.198   2.595
  153    HA   ALA  26           HA       ALA  26   2.911   9.557   3.998
  154   1HB   ALA  26          2HB       ALA  26   3.297   9.415   1.577
  155   2HB   ALA  26          1HB       ALA  26   4.933   8.781   1.870
  156   3HB   ALA  26          3HB       ALA  26   3.517   7.843   2.374
  157    H    LYS  27           HN       LYS  27   3.247   8.377   5.862
  158    HA   LYS  27           HA       LYS  27   5.753   7.906   7.064
  159   1HB   LYS  27          1HB       LYS  27   3.344   6.043   7.188
  160   2HB   LYS  27          2HB       LYS  27   4.702   6.096   8.310
  161   1HG   LYS  27          2HG       LYS  27   2.484   8.144   8.004
  162   2HG   LYS  27          1HG       LYS  27   2.817   7.064   9.328
  163   1HD   LYS  27          2HD       LYS  27   3.614   9.007  10.211
  164   2HD   LYS  27          1HD       LYS  27   5.100   8.315   9.566
  165   1HE   LYS  27          2HE       LYS  27   4.917  10.741   9.128
  166   2HE   LYS  27          1HE       LYS  27   4.931   9.875   7.598
  167   1HZ   LYS  27          2HZ       LYS  27   2.532  10.077   7.548
  168   2HZ   LYS  27          3HZ       LYS  27   2.561  10.957   8.947
  169   3HZ   LYS  27          1HZ       LYS  27   3.294  11.520   7.572
  170    HA   PRO  28           HA       PRO  28   7.301   5.210   3.954
  171   1HB   PRO  28          2HB       PRO  28   9.614   4.225   5.090
  172   2HB   PRO  28          1HB       PRO  28   9.420   5.930   4.586
  173   1HG   PRO  28          2HG       PRO  28   9.012   4.784   7.362
  174   2HG   PRO  28          1HG       PRO  28   9.998   6.204   6.903
  175   1HD   PRO  28          1HD       PRO  28   7.450   6.472   7.820
  176   2HD   PRO  28          2HD       PRO  28   8.053   7.519   6.495
  177    H    VAL  29           H        VAL  29   5.641   3.866   3.931
  178    HA   VAL  29           HA       VAL  29   4.540   1.884   5.102
  179    HB   VAL  29           HB       VAL  29   5.687   1.262   2.354
  180   1HG1  VAL  29          1HG1      VAL  29   3.041   0.720   3.767
  181   2HG1  VAL  29          3HG1      VAL  29   3.300   0.437   2.045
  182   3HG1  VAL  29          2HG1      VAL  29   4.255  -0.469   3.229
  183   1HG2  VAL  29          3HG2      VAL  29   3.646   3.352   3.130
  184   2HG2  VAL  29          1HG2      VAL  29   5.064   3.521   2.073
  185   3HG2  VAL  29          2HG2      VAL  29   3.666   2.589   1.522
  186    H    LYS  30           HN       LYS  30   7.749   1.437   3.743
  187    HA   LYS  30           HA       LYS  30   8.506  -1.134   3.908
  188   1HB   LYS  30          1HB       LYS  30   9.924   0.767   3.320
  189   2HB   LYS  30          2HB       LYS  30   9.957   1.277   5.006
  190   1HG   LYS  30          1HG       LYS  30  11.006  -1.162   5.401
  191   2HG   LYS  30          2HG       LYS  30  11.206  -1.157   3.666
  192   1HD   LYS  30          2HD       LYS  30  13.235  -0.488   4.797
  193   2HD   LYS  30          1HD       LYS  30  12.639   0.835   3.783
  194   1HE   LYS  30          1HE       LYS  30  13.507   1.495   6.090
  195   2HE   LYS  30          2HE       LYS  30  11.899   2.101   5.693
  196   1HZ   LYS  30          3HZ       LYS  30  12.434  -0.295   7.305
  197   2HZ   LYS  30          1HZ       LYS  30  12.024   1.188   7.905
  198   3HZ   LYS  30          2HZ       LYS  30  10.950   0.346   6.982
  199    H    GLY  31           H        GLY  31   7.534  -2.465   5.459
  200   1HA   GLY  31          1HA       GLY  31   7.293  -3.538   7.441
  201   2HA   GLY  31          2HA       GLY  31   8.772  -2.726   7.931
  202    H    GLN  32           H        GLN  32   5.624  -1.053   7.342
  203    HA   GLN  32           HA       GLN  32   5.549   0.081   9.947
  204   1HB   GLN  32          2HB       GLN  32   2.931  -0.880   8.779
  205   2HB   GLN  32          1HB       GLN  32   3.233   0.483   9.835
  206   1HG   GLN  32          1HG       GLN  32   3.826   0.288   6.883
  207   2HG   GLN  32          2HG       GLN  32   2.488   1.108   7.652
  208   1HE2  GLN  32          2HE2      GLN  32   4.544   4.044   7.278
  209   2HE2  GLN  32          1HE2      GLN  32   2.946   3.447   6.952
  210    H    GLY  33           H        GLY  33   3.985  -2.702   8.828
  211   1HA   GLY  33          2HA       GLY  33   4.982  -4.780  10.400
  212   2HA   GLY  33          1HA       GLY  33   3.581  -4.163  11.313
  213    H    ALA  34           H        ALA  34   4.014  -6.784   9.530
  214    HA   ALA  34           HA       ALA  34   2.406  -6.573   7.271
  215   1HB   ALA  34          2HB       ALA  34   3.652  -8.647   7.812
  216   2HB   ALA  34          3HB       ALA  34   2.503  -8.987   9.124
  217   3HB   ALA  34          1HB       ALA  34   1.958  -8.962   7.434
  218    H    GLU  35           HN       GLU  35   1.305  -7.066  10.621
  219    HA   GLU  35           HA       GLU  35  -1.457  -7.424  10.075
  220   1HB   GLU  35          2HB       GLU  35   0.036  -6.155  12.439
  221   2HB   GLU  35          1HB       GLU  35  -1.686  -6.498  12.425
  222   1HG   GLU  35          1HG       GLU  35   0.543  -8.574  12.114
  223   2HG   GLU  35          2HG       GLU  35  -0.403  -8.276  13.576
  224    H    GLU  36           HN       GLU  36   0.367  -4.423  10.931
  225    HA   GLU  36           HA       GLU  36  -1.647  -2.542  10.801
  226   1HB   GLU  36          2HB       GLU  36   1.378  -2.611  10.254
  227   2HB   GLU  36          1HB       GLU  36   0.440  -1.167  10.316
  228   1HG   GLU  36          2HG       GLU  36   0.702  -3.138  12.622
  229   2HG   GLU  36          1HG       GLU  36   1.642  -1.659  12.403
  230    H    LEU  37           H        LEU  37   0.739  -3.535   8.366
  231    HA   LEU  37           HA       LEU  37  -0.130  -1.940   6.219
  232   1HB   LEU  37          1HB       LEU  37   1.255  -4.640   6.314
  233   2HB   LEU  37          2HB       LEU  37   0.973  -3.755   4.815
  234    HG   LEU  37           HG       LEU  37   2.484  -2.452   7.123
  235   1HD1  LEU  37          1HD2      LEU  37   3.579  -4.161   4.853
  236   2HD1  LEU  37          3HD2      LEU  37   4.562  -3.136   5.927
  237   3HD1  LEU  37          2HD2      LEU  37   3.671  -4.511   6.588
  238   1HD2  LEU  37          1HD1      LEU  37   2.330  -1.922   4.138
  239   2HD2  LEU  37          3HD1      LEU  37   1.744  -0.879   5.464
  240   3HD2  LEU  37          2HD1      LEU  37   3.471  -1.169   5.259
  241    H    TYR  38           HN       TYR  38  -0.940  -5.455   6.764
  242    HA   TYR  38           HA       TYR  38  -2.831  -5.738   4.799
  243   1HB   TYR  38          2HB       TYR  38  -2.080  -7.597   6.143
  244   2HB   TYR  38          1HB       TYR  38  -2.896  -6.944   7.563
  245    HD1  TYR  38           HE2      TYR  38  -3.691  -7.796   3.961
  246    HD2  TYR  38           HD1      TYR  38  -5.060  -7.761   8.052
  247    HE1  TYR  38           HE1      TYR  38  -5.857  -8.745   3.243
  248    HE2  TYR  38           HD2      TYR  38  -7.223  -8.730   7.325
  249    HH   TYR  38           HH       TYR  38  -7.872  -9.680   3.951
  250    H    LYS  39           HN       LYS  39  -3.569  -4.645   8.131
  251    HA   LYS  39           HA       LYS  39  -6.325  -4.178   7.732
  252   1HB   LYS  39          1HB       LYS  39  -4.284  -2.788   9.500
  253   2HB   LYS  39          2HB       LYS  39  -6.020  -2.468   9.586
  254   1HG   LYS  39          1HG       LYS  39  -6.455  -4.868  10.049
  255   2HG   LYS  39          2HG       LYS  39  -4.727  -5.209  10.018
  256   1HD   LYS  39          2HD       LYS  39  -6.184  -3.381  11.971
  257   2HD   LYS  39          1HD       LYS  39  -5.547  -5.007  12.301
  258   1HE   LYS  39          2HE       LYS  39  -3.234  -4.145  11.798
  259   2HE   LYS  39          1HE       LYS  39  -3.912  -2.506  11.670
  260   1HZ   LYS  39          1HZ       LYS  39  -4.645  -2.701  13.922
  261   2HZ   LYS  39          2HZ       LYS  39  -3.984  -4.208  14.049
  262   3HZ   LYS  39          3HZ       LYS  39  -3.012  -2.897  13.797
  263    H    LYS  40           HN       LYS  40  -3.544  -1.911   7.143
  264    HA   LYS  40           HA       LYS  40  -5.175   0.270   6.291
  265   1HB   LYS  40          1HB       LYS  40  -2.244  -0.547   5.997
  266   2HB   LYS  40          2HB       LYS  40  -2.894   0.989   5.492
  267   1HG   LYS  40          1HG       LYS  40  -3.450   1.627   7.746
  268   2HG   LYS  40          2HG       LYS  40  -3.303  -0.014   8.347
  269   1HD   LYS  40          1HD       LYS  40  -0.866  -0.003   7.944
  270   2HD   LYS  40          2HD       LYS  40  -0.976   1.628   7.307
  271   1HE   LYS  40          1HE       LYS  40  -1.870   2.420   9.513
  272   2HE   LYS  40          2HE       LYS  40  -1.675   0.776  10.151
  273   1HZ   LYS  40          1HZ       LYS  40   0.675   0.971   9.693
  274   2HZ   LYS  40          3HZ       LYS  40   0.471   2.505   9.123
  275   3HZ   LYS  40          2HZ       LYS  40   0.165   2.164  10.707
  276    H    MET  41           H        MET  41  -3.487  -2.419   4.302
  277    HA   MET  41           HA       MET  41  -4.237  -1.372   1.861
  278   1HB   MET  41          1HB       MET  41  -4.441  -4.345   2.194
  279   2HB   MET  41          2HB       MET  41  -3.697  -3.275   1.000
  280   1HG   MET  41          2HG       MET  41  -2.359  -4.128   3.481
  281   2HG   MET  41          1HG       MET  41  -1.984  -4.648   1.872
  282   1HE   MET  41          1HE       MET  41   0.431  -4.064   2.560
  283   2HE   MET  41          2HE       MET  41   0.229  -3.582   0.861
  284   3HE   MET  41          3HE       MET  41   1.113  -2.523   1.982
  285    H    LYS  42           HN       LYS  42  -5.971  -3.587   4.104
  286    HA   LYS  42           HA       LYS  42  -8.320  -3.921   2.551
  287   1HB   LYS  42          1HB       LYS  42  -7.430  -5.043   4.794
  288   2HB   LYS  42          2HB       LYS  42  -8.399  -3.800   5.583
  289   1HG   LYS  42          1HG       LYS  42  -9.329  -5.948   3.618
  290   2HG   LYS  42          2HG       LYS  42  -9.569  -5.928   5.369
  291   1HD   LYS  42          2HD       LYS  42 -10.912  -3.767   5.065
  292   2HD   LYS  42          1HD       LYS  42 -10.824  -4.068   3.313
  293   1HE   LYS  42          1HE       LYS  42 -11.886  -6.305   3.664
  294   2HE   LYS  42          2HE       LYS  42 -12.025  -5.949   5.397
  295   1HZ   LYS  42          3HZ       LYS  42 -13.401  -4.062   4.811
  296   2HZ   LYS  42          2HZ       LYS  42 -13.301  -4.457   3.216
  297   3HZ   LYS  42          1HZ       LYS  42 -14.043  -5.479   4.270
  298    H    GLY  43           H        GLY  43  -7.357  -1.535   4.969
  299   1HA   GLY  43          1HA       GLY  43  -9.317   0.285   5.493
  300   2HA   GLY  43          2HA       GLY  43  -7.666   0.599   5.107
  301    H    TYR  44           H        TYR  44  -6.928   0.588   2.961
  302    HA   TYR  44           HA       TYR  44  -8.213   2.724   1.523
  303   1HB   TYR  44          1HB       TYR  44  -5.879   0.906   0.876
  304   2HB   TYR  44          2HB       TYR  44  -6.354   2.288  -0.114
  305    HD1  TYR  44           HD2      TYR  44  -6.749   4.540   1.527
  306    HD2  TYR  44           HD1      TYR  44  -3.801   1.417   1.870
  307    HE1  TYR  44           HE2      TYR  44  -5.291   6.053   2.863
  308    HE2  TYR  44           HE1      TYR  44  -2.274   3.012   3.011
  309    HH   TYR  44           HH       TYR  44  -2.051   5.057   3.961
  310    H    ALA  45           H        ALA  45  -7.723  -0.763   0.725
  311    HA   ALA  45           HA       ALA  45  -8.997  -0.702  -1.749
  312   1HB   ALA  45          1HB       ALA  45  -7.694  -2.622  -0.925
  313   2HB   ALA  45          2HB       ALA  45  -8.946  -2.966   0.292
  314   3HB   ALA  45          3HB       ALA  45  -9.312  -3.135  -1.437
  315    H    ASP  46           HN       ASP  46 -10.451  -0.943   1.515
  316    HA   ASP  46           HA       ASP  46 -13.146  -1.245   0.311
  317   1HB   ASP  46          1HB       ASP  46 -12.341  -2.643   2.228
  318   2HB   ASP  46          2HB       ASP  46 -12.300  -1.182   3.231
  319    H    GLY  47           H        GLY  47 -11.389   1.339   0.240
  320   1HA   GLY  47          1HA       GLY  47 -11.624   3.575   0.501
  321   2HA   GLY  47          2HA       GLY  47 -13.324   3.261   0.118
  322    H    SER  48           H        SER  48 -11.677   2.138   3.032
  323    HA   SER  48           HA       SER  48 -13.577   3.698   4.739
  324   1HB   SER  48          2HB       SER  48 -11.849   1.255   5.325
  325   2HB   SER  48          1HB       SER  48 -13.003   2.018   6.437
  326    HG   SER  48           HG       SER  48 -13.815   1.133   3.852
  327    H    TYR  49           H        TYR  49 -10.193   2.884   4.167
  328    HA   TYR  49           HA       TYR  49  -9.217   5.029   5.990
  329   1HB   TYR  49          2HB       TYR  49  -8.271   2.531   5.981
  330   2HB   TYR  49          1HB       TYR  49  -7.606   2.994   4.409
  331    HD1  TYR  49           HD2      TYR  49  -7.875   4.546   7.825
  332    HD2  TYR  49           HD1      TYR  49  -5.334   2.999   4.728
  333    HE1  TYR  49           HE2      TYR  49  -5.916   4.915   9.241
  334    HE2  TYR  49           HE1      TYR  49  -3.352   3.533   6.051
  335    HH   TYR  49           HH       TYR  49  -2.552   4.555   8.081
  336    H    GLY  50           H        GLY  50  -8.415   6.956   4.838
  337   1HA   GLY  50          1HA       GLY  50  -7.373   6.947   2.254
  338   2HA   GLY  50          2HA       GLY  50  -9.117   7.100   2.054
  339    H    GLY  51           H        GLY  51  -8.202   9.177   1.072
  340   1HA   GLY  51          1HA       GLY  51  -9.061  11.445   2.316
  341   2HA   GLY  51          2HA       GLY  51  -7.342  11.326   2.779
  342    H    GLU  52           HN       GLU  52  -8.001  13.436   1.145
  343    HA   GLU  52           HA       GLU  52  -8.116  13.086  -1.614
  344   1HB   GLU  52          1HB       GLU  52  -6.693  15.254   0.009
  345   2HB   GLU  52          2HB       GLU  52  -6.919  15.293  -1.739
  346   1HG   GLU  52          1HG       GLU  52  -8.641  16.632  -0.776
  347   2HG   GLU  52          2HG       GLU  52  -9.384  15.181  -1.454
  348    H    ARG  53           HN       ARG  53  -5.109  13.478   0.339
  349    HA   ARG  53           HA       ARG  53  -3.270  13.031  -1.695
  350   1HB   ARG  53          1HB       ARG  53  -1.727  12.722   0.115
  351   2HB   ARG  53          2HB       ARG  53  -2.823  14.038   0.507
  352   1HG   ARG  53          1HG       ARG  53  -4.130  12.422   1.971
  353   2HG   ARG  53          2HG       ARG  53  -2.911  11.195   1.606
  354   1HD   ARG  53          2HD       ARG  53  -2.323  13.846   2.968
  355   2HD   ARG  53          1HD       ARG  53  -2.565  12.305   3.789
  356    HE   ARG  53           HE       ARG  53  -0.411  12.745   1.735
  357   1HH1  ARG  53          2HH2      ARG  53  -1.184  11.590   5.044
  358   2HH1  ARG  53          1HH2      ARG  53   0.412  10.920   5.253
  359   1HH2  ARG  53          1HH1      ARG  53   1.555  11.994   2.086
  360   2HH2  ARG  53          2HH1      ARG  53   2.042  11.293   3.622
  361    H    LYS  54           HN       LYS  54  -5.367  10.689  -0.184
  362    HA   LYS  54           HA       LYS  54  -3.574   8.405  -0.744
  363   1HB   LYS  54          1HB       LYS  54  -6.363   8.324   0.401
  364   2HB   LYS  54          2HB       LYS  54  -5.094   7.122   0.542
  365   1HG   LYS  54          1HG       LYS  54  -5.097   9.880   1.878
  366   2HG   LYS  54          2HG       LYS  54  -5.526   8.361   2.635
  367   1HD   LYS  54          1HD       LYS  54  -3.230   7.478   2.214
  368   2HD   LYS  54          2HD       LYS  54  -2.775   9.027   1.525
  369   1HE   LYS  54          1HE       LYS  54  -2.095   9.195   3.805
  370   2HE   LYS  54          2HE       LYS  54  -3.628  10.055   3.792
  371   1HZ   LYS  54          1HZ       LYS  54  -3.300   7.229   4.538
  372   2HZ   LYS  54          2HZ       LYS  54  -3.413   8.481   5.606
  373   3HZ   LYS  54          3HZ       LYS  54  -4.690   8.108   4.635
  374    H    ALA  55           H        ALA  55  -6.420  10.050  -2.017
  375    HA   ALA  55           HA       ALA  55  -7.976   8.251  -3.144
  376   1HB   ALA  55          3HB       ALA  55  -8.221  10.675  -3.467
  377   2HB   ALA  55          2HB       ALA  55  -6.906  10.670  -4.661
  378   3HB   ALA  55          1HB       ALA  55  -8.427   9.817  -5.007
  379    H    MET  56           H        MET  56  -5.049   9.156  -5.055
  380    HA   MET  56           HA       MET  56  -5.503   7.371  -7.175
  381   1HB   MET  56          2HB       MET  56  -3.847   9.175  -7.209
  382   2HB   MET  56          1HB       MET  56  -2.867   8.347  -5.990
  383   1HG   MET  56          2HG       MET  56  -2.452   6.492  -7.549
  384   2HG   MET  56          1HG       MET  56  -3.536   7.225  -8.742
  385   1HE   MET  56          3HE       MET  56  -1.572   6.782 -10.488
  386   2HE   MET  56          2HE       MET  56   0.067   7.451 -10.307
  387   3HE   MET  56          1HE       MET  56  -0.499   6.182  -9.197
  388    H    MET  57           H        MET  57  -3.582   6.857  -4.210
  389    HA   MET  57           HA       MET  57  -2.770   4.172  -4.665
  390   1HB   MET  57          1HB       MET  57  -1.774   5.555  -2.952
  391   2HB   MET  57          2HB       MET  57  -3.303   5.758  -2.121
  392   1HG   MET  57          1HG       MET  57  -3.429   3.424  -1.510
  393   2HG   MET  57          2HG       MET  57  -1.972   3.056  -2.438
  394   1HE   MET  57          1HE       MET  57  -3.335   5.489   0.360
  395   2HE   MET  57          3HE       MET  57  -1.863   5.766   1.332
  396   3HE   MET  57          2HE       MET  57  -1.999   6.471  -0.290
  397    H    THR  58           H        THR  58  -5.575   5.612  -3.053
  398    HA   THR  58           HA       THR  58  -6.775   3.282  -2.025
  399    HB   THR  58           HB       THR  58  -8.281   5.724  -3.035
  400    HG1  THR  58           HG1      THR  58  -6.472   6.226  -1.630
  401   1HG2  THR  58          2HG2      THR  58  -9.652   3.749  -2.230
  402   2HG2  THR  58          3HG2      THR  58  -8.828   3.927  -0.662
  403   3HG2  THR  58          1HG2      THR  58  -9.848   5.233  -1.275
  404    H    ASN  59           H        ASN  59  -7.389   4.927  -5.188
  405    HA   ASN  59           HA       ASN  59  -9.153   2.882  -6.111
  406   1HB   ASN  59          2HB       ASN  59  -8.813   5.224  -7.068
  407   2HB   ASN  59          1HB       ASN  59  -7.417   4.573  -7.931
  408   1HD2  ASN  59          1HD2      ASN  59 -10.142   2.280  -9.559
  409   2HD2  ASN  59          2HD2      ASN  59  -9.027   1.799  -8.294
  410    H    ALA  60           H        ALA  60  -5.575   3.254  -6.366
  411    HA   ALA  60           HA       ALA  60  -5.184   1.128  -8.217
  412   1HB   ALA  60          1HB       ALA  60  -3.465   2.808  -7.694
  413   2HB   ALA  60          3HB       ALA  60  -3.279   2.137  -6.061
  414   3HB   ALA  60          2HB       ALA  60  -2.857   1.155  -7.475
  415    H    VAL  61           H        VAL  61  -4.786   1.061  -4.622
  416    HA   VAL  61           HA       VAL  61  -4.419  -1.766  -4.572
  417    HB   VAL  61           HB       VAL  61  -3.623  -0.174  -2.866
  418   1HG1  VAL  61          2HG1      VAL  61  -5.833   1.102  -2.646
  419   2HG1  VAL  61          3HG1      VAL  61  -6.417  -0.251  -1.677
  420   3HG1  VAL  61          1HG1      VAL  61  -4.984   0.675  -1.159
  421   1HG2  VAL  61          1HG2      VAL  61  -3.705  -2.617  -2.437
  422   2HG2  VAL  61          2HG2      VAL  61  -3.931  -1.657  -0.961
  423   3HG2  VAL  61          3HG2      VAL  61  -5.326  -2.425  -1.737
  424    H    LYS  62           HN       LYS  62  -7.410   0.232  -4.469
  425    HA   LYS  62           HA       LYS  62  -9.167  -1.828  -3.668
  426   1HB   LYS  62          2HB       LYS  62  -9.790   0.502  -3.797
  427   2HB   LYS  62          1HB       LYS  62  -9.612   0.506  -5.561
  428   1HG   LYS  62          2HG       LYS  62 -11.524  -0.923  -5.845
  429   2HG   LYS  62          1HG       LYS  62 -11.533  -1.364  -4.136
  430   1HD   LYS  62          1HD       LYS  62 -13.345   0.228  -4.709
  431   2HD   LYS  62          2HD       LYS  62 -12.263   0.807  -3.442
  432   1HE   LYS  62          2HE       LYS  62 -12.882   2.582  -5.079
  433   2HE   LYS  62          1HE       LYS  62 -11.140   2.320  -4.974
  434   1HZ   LYS  62          1HZ       LYS  62 -12.913   1.235  -7.055
  435   2HZ   LYS  62          2HZ       LYS  62 -11.887   2.513  -7.234
  436   3HZ   LYS  62          3HZ       LYS  62 -11.282   1.005  -6.968
  437    H    LYS  63           HN       LYS  63  -7.407  -1.529  -6.745
  438    HA   LYS  63           HA       LYS  63  -9.240  -3.279  -8.134
  439   1HB   LYS  63          1HB       LYS  63  -6.895  -1.633  -8.747
  440   2HB   LYS  63          2HB       LYS  63  -6.749  -3.228  -9.426
  441   1HG   LYS  63          1HG       LYS  63  -7.828  -1.762 -11.010
  442   2HG   LYS  63          2HG       LYS  63  -9.039  -2.933 -10.460
  443   1HD   LYS  63          1HD       LYS  63  -9.897  -1.223  -8.812
  444   2HD   LYS  63          2HD       LYS  63  -8.680  -0.084  -9.390
  445   1HE   LYS  63          2HE       LYS  63 -10.883  -1.330 -11.117
  446   2HE   LYS  63          1HE       LYS  63 -10.979   0.268 -10.367
  447   1HZ   LYS  63          3HZ       LYS  63  -9.043   0.908 -11.632
  448   2HZ   LYS  63          1HZ       LYS  63  -8.995  -0.569 -12.361
  449   3HZ   LYS  63          2HZ       LYS  63 -10.276   0.432 -12.616
  450    H    ALA  64           H        ALA  64  -7.045  -3.885  -5.630
  451    HA   ALA  64           HA       ALA  64  -5.955  -6.480  -6.515
  452   1HB   ALA  64          3HB       ALA  64  -4.827  -4.807  -4.976
  453   2HB   ALA  64          1HB       ALA  64  -6.080  -5.194  -3.776
  454   3HB   ALA  64          2HB       ALA  64  -4.959  -6.440  -4.315
  455    H    SER  65           H        SER  65  -6.222  -8.066  -4.431
  456    HA   SER  65           HA       SER  65  -9.013  -8.368  -3.584
  457   1HB   SER  65          2HB       SER  65  -7.610 -10.484  -5.285
  458   2HB   SER  65          1HB       SER  65  -9.153 -10.701  -4.436
  459    HG   SER  65           HG       SER  65  -9.252  -8.440  -5.895
  460    H    ASP  66           HN       ASP  66  -9.157  -9.987  -1.851
  461    HA   ASP  66           HA       ASP  66  -7.496  -9.534   0.173
  462   1HB   ASP  66          2HB       ASP  66  -9.653 -10.713   0.338
  463   2HB   ASP  66          1HB       ASP  66  -8.879 -12.203  -0.235
  464    H    GLU  67           HN       GLU  67  -6.954 -12.360  -1.969
  465    HA   GLU  67           HA       GLU  67  -4.679 -13.460  -0.710
  466   1HB   GLU  67          2HB       GLU  67  -5.843 -14.547  -2.576
  467   2HB   GLU  67          1HB       GLU  67  -5.370 -13.237  -3.673
  468   1HG   GLU  67          1HG       GLU  67  -2.972 -13.843  -3.359
  469   2HG   GLU  67          2HG       GLU  67  -3.457 -15.158  -2.277
  470    H    GLU  68           HN       GLU  68  -4.929 -10.906  -3.125
  471    HA   GLU  68           HA       GLU  68  -2.107 -10.494  -3.465
  472   1HB   GLU  68          1HB       GLU  68  -4.288  -8.489  -4.006
  473   2HB   GLU  68          2HB       GLU  68  -2.727  -8.635  -4.781
  474   1HG   GLU  68          2HG       GLU  68  -5.003 -10.639  -5.153
  475   2HG   GLU  68          1HG       GLU  68  -4.631  -9.288  -6.221
  476    H    LEU  69           H        LEU  69  -4.737  -8.803  -1.529
  477    HA   LEU  69           HA       LEU  69  -3.176  -6.756  -0.509
  478   1HB   LEU  69          2HB       LEU  69  -5.556  -8.316   0.586
  479   2HB   LEU  69          1HB       LEU  69  -4.931  -6.828   1.232
  480    HG   LEU  69           HG       LEU  69  -6.160  -7.127  -1.527
  481   1HD1  LEU  69          2HD2      LEU  69  -7.779  -7.256   0.367
  482   2HD1  LEU  69          3HD2      LEU  69  -7.159  -5.711   0.979
  483   3HD1  LEU  69          1HD2      LEU  69  -7.985  -5.782  -0.591
  484   1HD2  LEU  69          1HD1      LEU  69  -5.095  -4.667  -0.106
  485   2HD2  LEU  69          2HD1      LEU  69  -4.494  -5.348  -1.636
  486   3HD2  LEU  69          3HD1      LEU  69  -6.112  -4.639  -1.550
  487    H    LYS  70           HN       LYS  70  -3.800 -10.050   0.897
  488    HA   LYS  70           HA       LYS  70  -2.222  -9.588   3.249
  489   1HB   LYS  70          1HB       LYS  70  -2.903 -12.117   1.714
  490   2HB   LYS  70          2HB       LYS  70  -2.050 -12.100   3.272
  491   1HG   LYS  70          1HG       LYS  70  -3.967 -10.839   4.282
  492   2HG   LYS  70          2HG       LYS  70  -4.873 -11.048   2.780
  493   1HD   LYS  70          1HD       LYS  70  -3.841 -13.214   4.672
  494   2HD   LYS  70          2HD       LYS  70  -5.527 -12.745   4.419
  495   1HE   LYS  70          1HE       LYS  70  -3.695 -14.090   2.368
  496   2HE   LYS  70          2HE       LYS  70  -5.030 -14.839   3.250
  497   1HZ   LYS  70          2HZ       LYS  70  -6.531 -13.345   2.169
  498   2HZ   LYS  70          3HZ       LYS  70  -5.293 -12.628   1.346
  499   3HZ   LYS  70          1HZ       LYS  70  -5.672 -14.209   1.062
  500    H    ALA  71           H        ALA  71  -1.395 -10.956   0.010
  501    HA   ALA  71           HA       ALA  71   1.341 -11.384   0.665
  502   1HB   ALA  71          2HB       ALA  71   0.220 -12.424  -1.262
  503   2HB   ALA  71          1HB       ALA  71   0.036 -10.834  -2.033
  504   3HB   ALA  71          3HB       ALA  71   1.663 -11.509  -1.767
  505    H    LEU  72           H        LEU  72  -0.351  -8.438  -0.469
  506    HA   LEU  72           HA       LEU  72   1.939  -6.926  -1.091
  507   1HB   LEU  72          1HB       LEU  72  -0.796  -6.667  -1.231
  508   2HB   LEU  72          2HB       LEU  72  -0.508  -5.630   0.134
  509    HG   LEU  72           HG       LEU  72   0.783  -4.136  -1.274
  510   1HD1  LEU  72          2HD1      LEU  72   0.624  -6.310  -3.375
  511   2HD1  LEU  72          3HD1      LEU  72   1.022  -4.612  -3.740
  512   3HD1  LEU  72          1HD1      LEU  72   2.092  -5.546  -2.716
  513   1HD2  LEU  72          1HD2      LEU  72  -1.751  -5.218  -2.598
  514   2HD2  LEU  72          2HD2      LEU  72  -1.646  -3.942  -1.378
  515   3HD2  LEU  72          3HD2      LEU  72  -1.007  -3.678  -3.018
  516    H    ALA  73           H        ALA  73  -0.005  -7.228   1.883
  517    HA   ALA  73           HA       ALA  73   1.621  -5.628   3.582
  518   1HB   ALA  73          3HB       ALA  73  -0.634  -6.428   4.170
  519   2HB   ALA  73          1HB       ALA  73  -0.035  -8.094   4.289
  520   3HB   ALA  73          2HB       ALA  73   0.565  -6.861   5.408
  521    H    ASP  74           HN       ASP  74   1.746  -9.190   3.027
  522    HA   ASP  74           HA       ASP  74   3.964  -9.764   4.600
  523   1HB   ASP  74          2HB       ASP  74   2.604 -11.470   3.454
  524   2HB   ASP  74          1HB       ASP  74   3.268 -10.966   1.891
  525    H    TYR  75           H        TYR  75   4.008  -8.780   1.118
  526    HA   TYR  75           HA       TYR  75   6.754  -8.779   0.695
  527   1HB   TYR  75          1HB       TYR  75   4.875  -8.481  -0.950
  528   2HB   TYR  75          2HB       TYR  75   4.707  -6.818  -0.446
  529    HD1  TYR  75           HD2      TYR  75   6.727  -5.232  -0.735
  530    HD2  TYR  75           HD1      TYR  75   6.371  -9.057  -2.695
  531    HE1  TYR  75           HE2      TYR  75   8.418  -4.540  -2.389
  532    HE2  TYR  75           HE1      TYR  75   7.975  -8.304  -4.430
  533    HH   TYR  75           HH       TYR  75   9.531  -5.089  -4.321
  534    H    MET  76           H        MET  76   4.757  -5.832   1.525
  535    HA   MET  76           HA       MET  76   7.018  -4.207   1.984
  536   1HB   MET  76          2HB       MET  76   4.040  -4.098   2.237
  537   2HB   MET  76          1HB       MET  76   4.949  -3.012   3.253
  538   1HG   MET  76          1HG       MET  76   6.102  -2.031   1.384
  539   2HG   MET  76          2HG       MET  76   5.650  -3.378   0.332
  540   1HE   MET  76          2HE       MET  76   3.776  -3.737  -0.918
  541   2HE   MET  76          1HE       MET  76   2.491  -3.654   0.291
  542   3HE   MET  76          3HE       MET  76   2.420  -2.611  -1.162
  543    H    SER  77           H        SER  77   5.456  -6.501   4.099
  544    HA   SER  77           HA       SER  77   6.823  -5.445   6.469
  545   1HB   SER  77          2HB       SER  77   4.563  -6.559   6.505
  546   2HB   SER  77          1HB       SER  77   5.388  -8.086   6.150
  547    HG   SER  77           HG       SER  77   6.710  -7.581   8.037
  548    H    LYS  78           HN       LYS  78   8.300  -6.751   3.856
  549    HA   LYS  78           HA       LYS  78  10.315  -8.150   5.502
  550   1HB   LYS  78          2HB       LYS  78   8.937  -9.250   2.999
  551   2HB   LYS  78          1HB       LYS  78  10.499  -9.821   3.609
  552   1HG   LYS  78          1HG       LYS  78   9.467 -10.431   5.766
  553   2HG   LYS  78          2HG       LYS  78   7.884  -9.898   5.164
  554   1HD   LYS  78          1HD       LYS  78   7.841 -11.609   3.466
  555   2HD   LYS  78          2HD       LYS  78   9.537 -12.031   3.750
  556   1HE   LYS  78          1HE       LYS  78   8.022 -13.696   4.766
  557   2HE   LYS  78          2HE       LYS  78   9.026 -12.889   5.983
  558   1HZ   LYS  78          3HZ       LYS  78   7.148 -11.479   6.481
  559   2HZ   LYS  78          1HZ       LYS  78   6.222 -12.269   5.365
  560   3HZ   LYS  78          2HZ       LYS  78   6.774 -13.070   6.693
  561    H    LEU  79           H        LEU  79  10.143  -5.470   4.789
  562    HA   LEU  79           HA       LEU  79  12.126  -5.113   2.724
  563   1HB   LEU  79          2HB       LEU  79   9.291  -4.750   2.552
  564   2HB   LEU  79          1HB       LEU  79   9.867  -3.183   3.064
  565    HG   LEU  79           HG       LEU  79  10.843  -4.900   0.750
  566   1HD1  LEU  79          3HD2      LEU  79   9.021  -2.438   0.703
  567   2HD1  LEU  79          2HD2      LEU  79   9.694  -3.211  -0.747
  568   3HD1  LEU  79          1HD2      LEU  79   8.571  -4.108   0.288
  569   1HD2  LEU  79          2HD1      LEU  79  12.586  -3.324   1.552
  570   2HD2  LEU  79          3HD1      LEU  79  11.994  -2.837  -0.042
  571   3HD2  LEU  79          1HD1      LEU  79  11.414  -1.994   1.429
  572    HHA  HEC   1           HHA      HEM   1   1.717   5.203   3.753
  573    HHB  HEC   1           HHB      HEM   1  -0.444  -0.092   0.989
  574    HHC  HEC   1           HHC      HEM   1   1.135   2.518  -4.613
  575    HHD  HEC   1           HHD      HEM   1   0.725   8.297  -1.709
  576   1HMA  HEC   1          1HMA      HEM   1   0.432  -0.535   3.457
  577   2HMA  HEC   1          2HMA      HEM   1  -1.222   0.151   3.395
  578   3HMA  HEC   1          3HMA      HEM   1  -0.196   0.444   4.796
  579   1HAA  HEC   1          1HAA      HEM   1   1.271   1.971   5.588
  580   2HAA  HEC   1          2HAA      HEM   1   1.977   3.526   5.171
  581   1HBA  HEC   1          1HBA      HEM   1  -0.990   2.955   5.604
  582   2HBA  HEC   1          2HBA      HEM   1  -0.360   4.495   5.082
  583   1HMB  HEC   1          1HMB      HEM   1  -1.360  -1.283  -0.605
  584   2HMB  HEC   1          2HMB      HEM   1  -1.318  -1.573  -2.328
  585   3HMB  HEC   1          3HMB      HEM   1   0.101  -1.997  -1.321
  586    HAB  HEC   1           HAB      HEM   1   0.642   0.480  -5.010
  587   1HBB  HEC   1          1HBB      HEM   1   0.800  -1.923  -5.345
  588   2HBB  HEC   1          2HBB      HEM   1  -0.690  -1.591  -4.470
  589   3HBB  HEC   1          3HBB      HEM   1   0.752  -2.210  -3.600
  590   1HMC  HEC   1          1HMC      HEM   1   1.691   4.512  -6.236
  591   2HMC  HEC   1          2HMC      HEM   1  -0.063   4.234  -6.120
  592   3HMC  HEC   1          3HMC      HEM   1   0.554   5.837  -6.535
  593    HAC  HEC   1           HAC      HEM   1   1.549   8.530  -3.766
  594   1HBC  HEC   1          1HBC      HEM   1   0.245   9.371  -5.678
  595   2HBC  HEC   1          2HBC      HEM   1  -0.800   8.636  -4.432
  596   3HBC  HEC   1          3HBC      HEM   1  -0.432   7.756  -5.926
  597   1HMD  HEC   1          1HMD      HEM   1   1.007   9.980   0.614
  598   2HMD  HEC   1          2HMD      HEM   1  -0.561   9.436  -0.032
  599   3HMD  HEC   1          3HMD      HEM   1  -0.391   9.771   1.685
  600   1HAD  HEC   1          1HAD      HEM   1  -0.782   7.374   3.774
  601   2HAD  HEC   1          2HAD      HEM   1   0.210   8.807   3.585
  602   1HBD  HEC   1          1HBD      HEM   1   2.085   7.113   4.723
  603   2HBD  HEC   1          2HBD      HEM   1   0.627   6.363   5.278
   
  No H/Q in entry =         603
  Start of MODEL   10
    1   1H    ALA   1          2H        ALA   1   5.051 -11.489  -9.157
    2   2H    ALA   1          1H        ALA   1   5.638 -12.849  -9.925
    3   3H    ALA   1          3H        ALA   1   4.023 -12.465  -9.959
    4    HA   ALA   1           HA       ALA   1   4.185 -14.145  -8.376
    5   1HB   ALA   1          2HB       ALA   1   6.630 -13.989  -8.007
    6   2HB   ALA   1          1HB       ALA   1   6.405 -12.456  -7.133
    7   3HB   ALA   1          3HB       ALA   1   5.747 -13.964  -6.470
    8    H    ASP   2           HN       ASP   2   3.330 -13.932  -6.027
    9    HA   ASP   2           HA       ASP   2   1.311 -11.922  -5.918
   10   1HB   ASP   2          1HB       ASP   2   0.922 -12.811  -3.650
   11   2HB   ASP   2          2HB       ASP   2   1.079 -14.109  -4.833
   12    H    GLY   3           H        GLY   3   1.171 -10.072  -4.540
   13   1HA   GLY   3          1HA       GLY   3   1.961  -8.303  -3.222
   14   2HA   GLY   3          2HA       GLY   3   3.503  -9.128  -3.031
   15    H    ALA   4           H        ALA   4   4.691  -9.497  -5.063
   16    HA   ALA   4           HA       ALA   4   5.755  -7.144  -6.113
   17   1HB   ALA   4          2HB       ALA   4   6.917  -9.286  -6.143
   18   2HB   ALA   4          3HB       ALA   4   5.791  -9.909  -7.368
   19   3HB   ALA   4          1HB       ALA   4   6.882  -8.564  -7.764
   20    H    ALA   5           H        ALA   5   3.380  -9.327  -7.660
   21    HA   ALA   5           HA       ALA   5   3.045  -8.144 -10.127
   22   1HB   ALA   5          3HB       ALA   5   0.918  -9.385  -8.333
   23   2HB   ALA   5          1HB       ALA   5   0.748  -9.089 -10.076
   24   3HB   ALA   5          2HB       ALA   5   1.963 -10.238  -9.494
   25    H    LEU   6           H        LEU   6   1.758  -6.929  -7.031
   26    HA   LEU   6           HA       LEU   6   0.208  -4.803  -8.454
   27   1HB   LEU   6          1HB       LEU   6   0.382  -5.486  -5.493
   28   2HB   LEU   6          2HB       LEU   6  -0.631  -4.255  -6.251
   29    HG   LEU   6           HG       LEU   6  -1.372  -6.480  -7.702
   30   1HD1  LEU   6          1HD1      LEU   6  -0.003  -8.001  -6.243
   31   2HD1  LEU   6          2HD1      LEU   6  -0.919  -7.438  -4.832
   32   3HD1  LEU   6          3HD1      LEU   6  -1.737  -8.334  -6.128
   33   1HD2  LEU   6          2HD2      LEU   6  -2.884  -4.838  -6.665
   34   2HD2  LEU   6          1HD2      LEU   6  -3.402  -6.498  -6.339
   35   3HD2  LEU   6          3HD2      LEU   6  -2.587  -5.558  -5.066
   36    H    TYR   7           H        TYR   7   2.759  -5.345  -6.037
   37    HA   TYR   7           HA       TYR   7   3.484  -2.821  -5.326
   38   1HB   TYR   7          2HB       TYR   7   4.441  -5.089  -4.596
   39   2HB   TYR   7          1HB       TYR   7   5.538  -4.949  -5.964
   40    HD1  TYR   7           HD2      TYR   7   4.597  -3.512  -2.681
   41    HD2  TYR   7           HD1      TYR   7   7.292  -3.228  -6.030
   42    HE1  TYR   7           HE2      TYR   7   5.898  -1.759  -1.501
   43    HE2  TYR   7           HE1      TYR   7   8.550  -1.482  -4.861
   44    HH   TYR   7           HH       TYR   7   8.574  -0.049  -3.031
   45    H    LYS   8           HN       LYS   8   4.582  -4.546  -8.241
   46    HA   LYS   8           HA       LYS   8   6.466  -2.894  -9.274
   47   1HB   LYS   8          1HB       LYS   8   5.873  -3.677 -11.491
   48   2HB   LYS   8          2HB       LYS   8   5.793  -4.949 -10.277
   49   1HG   LYS   8          2HG       LYS   8   3.865  -5.466 -11.309
   50   2HG   LYS   8          1HG       LYS   8   3.193  -4.253 -10.220
   51   1HD   LYS   8          1HD       LYS   8   3.388  -2.548 -12.066
   52   2HD   LYS   8          2HD       LYS   8   4.129  -3.775 -13.099
   53   1HE   LYS   8          1HE       LYS   8   1.756  -3.490 -13.643
   54   2HE   LYS   8          2HE       LYS   8   2.067  -5.126 -13.037
   55   1HZ   LYS   8          2HZ       LYS   8   1.002  -2.916 -11.420
   56   2HZ   LYS   8          3HZ       LYS   8   0.095  -4.110 -12.109
   57   3HZ   LYS   8          1HZ       LYS   8   1.194  -4.491 -10.945
   58    H    SER   9           H        SER   9   2.969  -2.058  -9.332
   59    HA   SER   9           HA       SER   9   3.478   0.383 -10.909
   60   1HB   SER   9          1HB       SER   9   1.027  -0.537  -9.345
   61   2HB   SER   9          2HB       SER   9   1.101   0.834 -10.468
   62    HG   SER   9           HG       SER   9   1.671  -0.665 -12.115
   63    H    CYS  10           H        CYS  10   3.059  -0.570  -7.539
   64    HA   CYS  10           HA       CYS  10   2.484   1.840  -6.238
   65   1HB   CYS  10          1HB       CYS  10   2.459  -0.689  -5.617
   66   2HB   CYS  10          2HB       CYS  10   4.137  -0.406  -5.068
   67    H    ILE  11           H        ILE  11   5.444   0.316  -7.317
   68    HA   ILE  11           HA       ILE  11   7.466   1.596  -6.101
   69    HB   ILE  11           HB       ILE  11   7.104   1.061  -9.059
   70   1HG1  ILE  11          2HG1      ILE  11   8.647  -0.397  -6.857
   71   2HG1  ILE  11          1HG1      ILE  11   7.114  -0.920  -7.548
   72   1HG2  ILE  11          2HG2      ILE  11   8.889   2.772  -8.878
   73   2HG2  ILE  11          3HG2      ILE  11   9.731   1.766  -7.681
   74   3HG2  ILE  11          1HG2      ILE  11   9.557   1.237  -9.365
   75   1HD1  ILE  11          3HD1      ILE  11   8.296  -1.130  -9.789
   76   2HD1  ILE  11          1HD1      ILE  11   9.825  -0.910  -8.902
   77   3HD1  ILE  11          2HD1      ILE  11   8.780  -2.280  -8.524
   78    H    GLY  12           H        GLY  12   5.277   3.023  -8.517
   79   1HA   GLY  12          2HA       GLY  12   6.424   5.382  -9.266
   80   2HA   GLY  12          1HA       GLY  12   4.706   5.199  -8.876
   81    H    CYS  13           H        CYS  13   4.925   4.733  -5.983
   82    HA   CYS  13           HA       CYS  13   5.841   7.461  -5.138
   83   1HB   CYS  13          1HB       CYS  13   3.540   5.690  -4.402
   84   2HB   CYS  13          2HB       CYS  13   4.158   6.898  -3.303
   85    H    HIS  14           HN       HIS  14   5.579   3.970  -4.174
   86    HA   HIS  14           HA       HIS  14   7.190   4.608  -1.802
   87   1HB   HIS  14          2HB       HIS  14   5.849   2.081  -2.731
   88   2HB   HIS  14          1HB       HIS  14   6.750   2.221  -1.219
   89    HD1  HIS  14           HD1      HIS  14   5.818   4.150   0.551
   90    HD2  HIS  14           HD2      HIS  14   3.275   3.085  -2.584
   91    HE1  HIS  14           HE1      HIS  14   3.509   4.984   1.143
   92    H    GLY  15           H        GLY  15   8.086   3.825  -4.982
   93   1HA   GLY  15          2HA       GLY  15  10.202   3.407  -5.796
   94   2HA   GLY  15          1HA       GLY  15  10.846   3.467  -4.147
   95    H    ALA  16           H        ALA  16  12.078   1.587  -5.425
   96    HA   ALA  16           HA       ALA  16  10.765  -0.871  -5.925
   97   1HB   ALA  16          1HB       ALA  16  12.939  -0.279  -6.871
   98   2HB   ALA  16          3HB       ALA  16  13.685  -0.344  -5.258
   99   3HB   ALA  16          2HB       ALA  16  13.023  -1.818  -5.993
  100    H    ASP  17           HN       ASP  17  12.659   0.137  -3.041
  101    HA   ASP  17           HA       ASP  17  11.241  -1.762  -1.290
  102   1HB   ASP  17          2HB       ASP  17  14.219  -2.037  -1.942
  103   2HB   ASP  17          1HB       ASP  17  13.383  -2.868  -0.635
  104    H    GLY  18           H        GLY  18  10.763   0.533  -0.441
  105   1HA   GLY  18          1HA       GLY  18  12.444   1.094   1.770
  106   2HA   GLY  18          2HA       GLY  18  12.936   2.191   0.469
  107    H    SER  19           H        SER  19  10.053   2.491  -0.520
  108    HA   SER  19           HA       SER  19   8.248   3.734  -0.093
  109   1HB   SER  19          2HB       SER  19   7.880   2.338   1.858
  110   2HB   SER  19          1HB       SER  19   8.752   3.533   2.855
  111    HG   SER  19           HG       SER  19   7.253   5.104   2.122
  112    H    LYS  20           HN       LYS  20   9.313   5.431  -1.208
  113    HA   LYS  20           HA       LYS  20  11.014   7.350  -0.003
  114   1HB   LYS  20          1HB       LYS  20   8.968   8.126  -2.092
  115   2HB   LYS  20          2HB       LYS  20  10.611   8.729  -1.863
  116   1HG   LYS  20          1HG       LYS  20  11.421   6.415  -2.648
  117   2HG   LYS  20          2HG       LYS  20   9.723   6.082  -3.050
  118   1HD   LYS  20          2HD       LYS  20   9.856   8.409  -4.329
  119   2HD   LYS  20          1HD       LYS  20  11.599   8.114  -4.271
  120   1HE   LYS  20          1HE       LYS  20  10.851   7.215  -6.360
  121   2HE   LYS  20          2HE       LYS  20  11.078   5.806  -5.311
  122   1HZ   LYS  20          2HZ       LYS  20   8.658   6.025  -4.838
  123   2HZ   LYS  20          3HZ       LYS  20   8.554   7.142  -6.034
  124   3HZ   LYS  20          1HZ       LYS  20   8.999   5.599  -6.391
  125    H    ALA  21           H        ALA  21  10.405   9.648   0.475
  126    HA   ALA  21           HA       ALA  21   8.157   9.849   2.326
  127   1HB   ALA  21          1HB       ALA  21  10.117  11.930   1.254
  128   2HB   ALA  21          3HB       ALA  21   8.980  12.165   2.596
  129   3HB   ALA  21          2HB       ALA  21  10.296  10.989   2.751
  130    H    ALA  22           H        ALA  22   6.690   9.106   0.563
  131    HA   ALA  22           HA       ALA  22   6.063  10.689  -1.707
  132   1HB   ALA  22          1HB       ALA  22   5.569   8.265  -1.401
  133   2HB   ALA  22          2HB       ALA  22   4.289   8.687  -0.246
  134   3HB   ALA  22          3HB       ALA  22   4.163   9.182  -1.949
  135    H    MET  23           H        MET  23   3.412  11.086  -1.816
  136    HA   MET  23           HA       MET  23   2.820  13.573  -1.385
  137   1HB   MET  23          1HB       MET  23   0.958  11.261  -0.755
  138   2HB   MET  23          2HB       MET  23   0.413  12.930  -0.924
  139   1HG   MET  23          1HG       MET  23   1.818  11.311  -3.086
  140   2HG   MET  23          2HG       MET  23   0.086  11.587  -2.973
  141   1HE   MET  23          1HE       MET  23  -1.158  13.654  -3.662
  142   2HE   MET  23          2HE       MET  23  -0.379  14.612  -2.375
  143   3HE   MET  23          3HE       MET  23  -0.410  15.221  -4.043
  144    H    GLY  24           H        GLY  24   3.229  14.988   0.168
  145   1HA   GLY  24          2HA       GLY  24   3.107  16.098   2.155
  146   2HA   GLY  24          1HA       GLY  24   1.858  14.958   2.671
  147    H    SER  25           H        SER  25   5.093  13.831   1.744
  148    HA   SER  25           HA       SER  25   6.815  12.943   2.880
  149   1HB   SER  25          1HB       SER  25   5.965  14.624   5.280
  150   2HB   SER  25          2HB       SER  25   7.501  13.782   5.038
  151    HG   SER  25           HG       SER  25   6.470  15.785   3.299
  152    H    ALA  26           H        ALA  26   4.851  11.413   2.493
  153    HA   ALA  26           HA       ALA  26   3.301  10.393   4.518
  154   1HB   ALA  26          1HB       ALA  26   3.063   9.839   2.118
  155   2HB   ALA  26          2HB       ALA  26   4.533   8.841   2.201
  156   3HB   ALA  26          3HB       ALA  26   3.084   8.364   3.106
  157    H    LYS  27           HN       LYS  27   3.383   8.704   6.086
  158    HA   LYS  27           HA       LYS  27   5.686   8.074   7.462
  159   1HB   LYS  27          2HB       LYS  27   2.861   7.055   7.097
  160   2HB   LYS  27          1HB       LYS  27   4.004   6.065   7.925
  161   1HG   LYS  27          1HG       LYS  27   4.493   7.797   9.554
  162   2HG   LYS  27          2HG       LYS  27   3.351   8.914   8.769
  163   1HD   LYS  27          2HD       LYS  27   2.572   6.160   9.853
  164   2HD   LYS  27          1HD       LYS  27   2.508   7.626  10.843
  165   1HE   LYS  27          1HE       LYS  27   0.856   8.646   9.382
  166   2HE   LYS  27          2HE       LYS  27   0.984   7.322   8.218
  167   1HZ   LYS  27          2HZ       LYS  27   0.037   6.994  10.961
  168   2HZ   LYS  27          1HZ       LYS  27  -0.912   7.097   9.616
  169   3HZ   LYS  27          3HZ       LYS  27   0.119   5.830   9.789
  170    HA   PRO  28           HA       PRO  28   7.226   5.322   4.282
  171   1HB   PRO  28          1HB       PRO  28   8.950   4.311   6.586
  172   2HB   PRO  28          2HB       PRO  28   9.463   4.628   4.901
  173   1HG   PRO  28          1HG       PRO  28   9.991   6.462   6.822
  174   2HG   PRO  28          2HG       PRO  28   9.340   6.997   5.243
  175   1HD   PRO  28          1HD       PRO  28   7.825   6.610   7.839
  176   2HD   PRO  28          2HD       PRO  28   7.745   7.950   6.651
  177    H    VAL  29           H        VAL  29   6.432   3.448   3.612
  178    HA   VAL  29           HA       VAL  29   4.776   1.840   5.355
  179    HB   VAL  29           HB       VAL  29   5.461   1.443   2.409
  180   1HG1  VAL  29          3HG1      VAL  29   3.066   0.719   4.148
  181   2HG1  VAL  29          2HG1      VAL  29   3.139   0.482   2.402
  182   3HG1  VAL  29          1HG1      VAL  29   4.253  -0.428   3.446
  183   1HG2  VAL  29          3HG2      VAL  29   3.407   3.177   3.837
  184   2HG2  VAL  29          1HG2      VAL  29   4.635   3.747   2.719
  185   3HG2  VAL  29          2HG2      VAL  29   3.318   2.724   2.119
  186    H    LYS  30           HN       LYS  30   7.916   1.637   3.896
  187    HA   LYS  30           HA       LYS  30   8.871  -0.900   3.982
  188   1HB   LYS  30          1HB       LYS  30  10.121   0.916   3.242
  189   2HB   LYS  30          2HB       LYS  30   9.873   1.834   4.726
  190   1HG   LYS  30          1HG       LYS  30  12.142   1.276   4.545
  191   2HG   LYS  30          2HG       LYS  30  11.483   0.395   5.924
  192   1HD   LYS  30          1HD       LYS  30  11.499  -1.671   4.735
  193   2HD   LYS  30          2HD       LYS  30  11.778  -0.882   3.162
  194   1HE   LYS  30          2HE       LYS  30  14.012  -0.111   3.942
  195   2HE   LYS  30          1HE       LYS  30  13.717  -0.879   5.521
  196   1HZ   LYS  30          2HZ       LYS  30  13.847  -2.305   2.965
  197   2HZ   LYS  30          3HZ       LYS  30  15.044  -2.239   4.101
  198   3HZ   LYS  30          1HZ       LYS  30  13.608  -2.959   4.470
  199    H    GLY  31           H        GLY  31   8.137  -2.324   5.488
  200   1HA   GLY  31          1HA       GLY  31   8.020  -3.484   7.397
  201   2HA   GLY  31          2HA       GLY  31   9.372  -2.508   7.938
  202    H    GLN  32           H        GLN  32   6.066  -1.168   7.381
  203    HA   GLN  32           HA       GLN  32   5.918  -0.231  10.092
  204   1HB   GLN  32          1HB       GLN  32   3.320  -0.912   8.718
  205   2HB   GLN  32          2HB       GLN  32   3.702   0.346   9.890
  206   1HG   GLN  32          2HG       GLN  32   5.292   1.222   7.966
  207   2HG   GLN  32          1HG       GLN  32   4.235   0.178   6.981
  208   1HE2  GLN  32          1HE2      GLN  32   2.898   3.846   7.231
  209   2HE2  GLN  32          2HE2      GLN  32   4.580   3.320   7.237
  210    H    GLY  33           H        GLY  33   4.327  -2.831   8.633
  211   1HA   GLY  33          1HA       GLY  33   5.236  -5.115   9.787
  212   2HA   GLY  33          2HA       GLY  33   4.028  -4.652  10.991
  213    H    ALA  34           H        ALA  34   4.128  -6.886   8.995
  214    HA   ALA  34           HA       ALA  34   2.325  -6.747   7.006
  215   1HB   ALA  34          3HB       ALA  34   2.539  -8.952   9.076
  216   2HB   ALA  34          1HB       ALA  34   1.807  -9.110   7.453
  217   3HB   ALA  34          2HB       ALA  34   3.541  -8.768   7.618
  218    H    GLU  35           HN       GLU  35   1.336  -7.078  10.455
  219    HA   GLU  35           HA       GLU  35  -1.451  -7.289   9.832
  220   1HB   GLU  35          2HB       GLU  35  -0.482  -7.985  11.998
  221   2HB   GLU  35          1HB       GLU  35  -0.103  -6.298  12.389
  222   1HG   GLU  35          2HG       GLU  35  -2.157  -7.048  13.514
  223   2HG   GLU  35          1HG       GLU  35  -2.510  -5.735  12.388
  224    H    GLU  36           HN       GLU  36   0.609  -4.525  10.758
  225    HA   GLU  36           HA       GLU  36  -1.329  -2.449  10.834
  226   1HB   GLU  36          1HB       GLU  36   1.653  -2.554  10.118
  227   2HB   GLU  36          2HB       GLU  36   0.783  -1.054  10.123
  228   1HG   GLU  36          2HG       GLU  36   0.987  -2.934  12.524
  229   2HG   GLU  36          1HG       GLU  36   2.074  -1.577  12.194
  230    H    LEU  37           H        LEU  37   0.857  -3.497   8.275
  231    HA   LEU  37           HA       LEU  37  -0.064  -1.857   6.180
  232   1HB   LEU  37          1HB       LEU  37   1.280  -4.584   6.281
  233   2HB   LEU  37          2HB       LEU  37   1.050  -3.690   4.776
  234    HG   LEU  37           HG       LEU  37   2.574  -2.456   7.139
  235   1HD1  LEU  37          2HD2      LEU  37   3.661  -4.051   4.783
  236   2HD1  LEU  37          1HD2      LEU  37   4.628  -3.171   5.989
  237   3HD1  LEU  37          3HD2      LEU  37   3.674  -4.579   6.473
  238   1HD2  LEU  37          1HD1      LEU  37   2.454  -1.877   4.172
  239   2HD2  LEU  37          3HD1      LEU  37   1.823  -0.861   5.500
  240   3HD2  LEU  37          2HD1      LEU  37   3.559  -1.160   5.369
  241    H    TYR  38           HN       TYR  38  -0.875  -5.356   6.721
  242    HA   TYR  38           HA       TYR  38  -2.757  -5.695   4.788
  243   1HB   TYR  38          2HB       TYR  38  -2.013  -7.503   6.164
  244   2HB   TYR  38          1HB       TYR  38  -2.728  -6.768   7.602
  245    HD1  TYR  38           HD1      TYR  38  -4.186  -7.333   4.143
  246    HD2  TYR  38           HE2      TYR  38  -4.353  -8.272   8.358
  247    HE1  TYR  38           HD2      TYR  38  -6.271  -8.601   3.785
  248    HE2  TYR  38           HE1      TYR  38  -6.395  -9.601   7.974
  249    HH   TYR  38           HH       TYR  38  -7.911 -10.376   6.421
  250    H    LYS  39           HN       LYS  39  -3.415  -4.453   8.069
  251    HA   LYS  39           HA       LYS  39  -6.177  -4.012   7.755
  252   1HB   LYS  39          2HB       LYS  39  -4.624  -3.930   9.824
  253   2HB   LYS  39          1HB       LYS  39  -4.270  -2.266   9.388
  254   1HG   LYS  39          2HG       LYS  39  -6.656  -1.677   9.578
  255   2HG   LYS  39          1HG       LYS  39  -7.056  -3.368   9.965
  256   1HD   LYS  39          1HD       LYS  39  -5.572  -3.301  11.934
  257   2HD   LYS  39          2HD       LYS  39  -5.133  -1.624  11.582
  258   1HE   LYS  39          2HE       LYS  39  -7.954  -2.617  12.247
  259   2HE   LYS  39          1HE       LYS  39  -6.854  -1.819  13.382
  260   1HZ   LYS  39          2HZ       LYS  39  -6.882   0.108  11.965
  261   2HZ   LYS  39          1HZ       LYS  39  -7.940  -0.623  10.932
  262   3HZ   LYS  39          3HZ       LYS  39  -8.400  -0.280  12.475
  263    H    LYS  40           HN       LYS  40  -3.437  -1.858   7.143
  264    HA   LYS  40           HA       LYS  40  -4.986   0.447   6.281
  265   1HB   LYS  40          2HB       LYS  40  -2.080  -0.414   6.031
  266   2HB   LYS  40          1HB       LYS  40  -2.664   1.148   5.477
  267   1HG   LYS  40          2HG       LYS  40  -3.351   1.767   7.728
  268   2HG   LYS  40          1HG       LYS  40  -3.193   0.119   8.321
  269   1HD   LYS  40          2HD       LYS  40  -0.716   0.217   7.942
  270   2HD   LYS  40          1HD       LYS  40  -0.899   1.899   7.478
  271   1HE   LYS  40          2HE       LYS  40  -2.051   2.273   9.759
  272   2HE   LYS  40          1HE       LYS  40  -1.480   0.646  10.182
  273   1HZ   LYS  40          1HZ       LYS  40   0.765   1.491   9.594
  274   2HZ   LYS  40          2HZ       LYS  40   0.117   2.993   9.453
  275   3HZ   LYS  40          3HZ       LYS  40   0.083   2.218  10.915
  276    H    MET  41           H        MET  41  -3.188  -2.024   4.199
  277    HA   MET  41           HA       MET  41  -4.264  -0.926   1.835
  278   1HB   MET  41          1HB       MET  41  -4.161  -3.557   1.147
  279   2HB   MET  41          2HB       MET  41  -2.901  -2.337   0.997
  280   1HG   MET  41          2HG       MET  41  -2.986  -4.053   3.418
  281   2HG   MET  41          1HG       MET  41  -2.279  -4.696   1.934
  282   1HE   MET  41          3HE       MET  41  -0.894  -3.209   0.403
  283   2HE   MET  41          1HE       MET  41   0.473  -2.245   1.021
  284   3HE   MET  41          2HE       MET  41   0.481  -4.015   1.180
  285    H    LYS  42           HN       LYS  42  -5.757  -3.338   4.105
  286    HA   LYS  42           HA       LYS  42  -8.095  -3.689   2.496
  287   1HB   LYS  42          2HB       LYS  42  -7.427  -5.110   4.417
  288   2HB   LYS  42          1HB       LYS  42  -7.870  -3.802   5.532
  289   1HG   LYS  42          1HG       LYS  42 -10.202  -3.852   4.592
  290   2HG   LYS  42          2HG       LYS  42  -9.742  -5.204   3.558
  291   1HD   LYS  42          1HD       LYS  42  -9.751  -5.142   6.616
  292   2HD   LYS  42          2HD       LYS  42 -10.950  -5.935   5.591
  293   1HE   LYS  42          2HE       LYS  42  -8.014  -6.720   5.895
  294   2HE   LYS  42          1HE       LYS  42  -9.422  -7.592   6.503
  295   1HZ   LYS  42          1HZ       LYS  42 -10.125  -7.921   4.230
  296   2HZ   LYS  42          3HZ       LYS  42  -8.767  -7.165   3.677
  297   3HZ   LYS  42          2HZ       LYS  42  -8.640  -8.577   4.518
  298    H    GLY  43           H        GLY  43  -7.185  -1.357   4.990
  299   1HA   GLY  43          1HA       GLY  43  -9.158   0.438   5.565
  300   2HA   GLY  43          2HA       GLY  43  -7.525   0.754   5.168
  301    H    TYR  44           H        TYR  44  -6.868   0.651   2.885
  302    HA   TYR  44           HA       TYR  44  -8.111   2.796   1.472
  303   1HB   TYR  44          2HB       TYR  44  -5.893   0.788   0.915
  304   2HB   TYR  44          1HB       TYR  44  -6.393   1.971  -0.274
  305    HD1  TYR  44           HD1      TYR  44  -6.650   4.505   0.907
  306    HD2  TYR  44           HD2      TYR  44  -3.796   1.406   1.828
  307    HE1  TYR  44           HE1      TYR  44  -5.268   6.131   2.117
  308    HE2  TYR  44           HE2      TYR  44  -2.339   3.113   2.910
  309    HH   TYR  44           HH       TYR  44  -2.202   5.163   3.730
  310    H    ALA  45           H        ALA  45  -7.808  -0.707   0.690
  311    HA   ALA  45           HA       ALA  45  -9.360  -0.725  -1.644
  312   1HB   ALA  45          2HB       ALA  45  -8.039  -2.648  -0.824
  313   2HB   ALA  45          1HB       ALA  45  -9.216  -2.893   0.488
  314   3HB   ALA  45          3HB       ALA  45  -9.711  -3.107  -1.204
  315    H    ASP  46           HN       ASP  46 -10.469  -0.730   1.739
  316    HA   ASP  46           HA       ASP  46 -13.273  -1.071   1.015
  317   1HB   ASP  46          2HB       ASP  46 -12.221  -1.942   3.104
  318   2HB   ASP  46          1HB       ASP  46 -11.950  -0.277   3.642
  319    H    GLY  47           H        GLY  47 -11.408   1.465   0.269
  320   1HA   GLY  47          1HA       GLY  47 -11.635   3.693   0.000
  321   2HA   GLY  47          2HA       GLY  47 -13.350   3.324  -0.252
  322    H    SER  48           H        SER  48 -11.455   2.944   2.749
  323    HA   SER  48           HA       SER  48 -13.167   5.049   4.056
  324   1HB   SER  48          2HB       SER  48 -12.368   2.316   5.135
  325   2HB   SER  48          1HB       SER  48 -13.228   3.589   6.026
  326    HG   SER  48           HG       SER  48 -14.138   2.330   3.626
  327    H    TYR  49           H        TYR  49 -10.074   3.196   4.302
  328    HA   TYR  49           HA       TYR  49  -9.071   5.098   6.283
  329   1HB   TYR  49          1HB       TYR  49  -8.566   2.667   6.337
  330   2HB   TYR  49          2HB       TYR  49  -7.633   2.856   4.834
  331    HD1  TYR  49           HD2      TYR  49  -7.741   4.443   8.223
  332    HD2  TYR  49           HD1      TYR  49  -5.392   3.003   4.903
  333    HE1  TYR  49           HE2      TYR  49  -5.715   5.310   9.277
  334    HE2  TYR  49           HE1      TYR  49  -3.384   3.895   5.903
  335    HH   TYR  49           HH       TYR  49  -2.428   4.849   7.924
  336    H    GLY  50           H        GLY  50  -9.702   6.775   4.335
  337   1HA   GLY  50          1HA       GLY  50  -7.712   8.444   3.798
  338   2HA   GLY  50          2HA       GLY  50  -7.337   7.203   2.584
  339    H    GLY  51           H        GLY  51  -7.651   9.463   1.458
  340   1HA   GLY  51          1HA       GLY  51  -9.675   9.168  -0.430
  341   2HA   GLY  51          2HA       GLY  51 -10.237  10.361   0.770
  342    H    GLU  52           HN       GLU  52  -9.933  11.554  -1.483
  343    HA   GLU  52           HA       GLU  52  -8.851  13.000  -2.840
  344   1HB   GLU  52          1HB       GLU  52  -7.863  13.901  -0.100
  345   2HB   GLU  52          2HB       GLU  52  -7.786  14.870  -1.589
  346   1HG   GLU  52          1HG       GLU  52 -10.262  14.721  -1.791
  347   2HG   GLU  52          2HG       GLU  52 -10.327  13.796  -0.280
  348    H    ARG  53           HN       ARG  53  -6.051  13.312  -0.779
  349    HA   ARG  53           HA       ARG  53  -4.225  13.003  -2.918
  350   1HB   ARG  53          2HB       ARG  53  -2.513  13.166  -1.255
  351   2HB   ARG  53          1HB       ARG  53  -3.842  14.238  -0.806
  352   1HG   ARG  53          1HG       ARG  53  -4.603  12.171   0.718
  353   2HG   ARG  53          2HG       ARG  53  -2.932  11.644   0.494
  354   1HD   ARG  53          1HD       ARG  53  -2.374  14.173   1.187
  355   2HD   ARG  53          2HD       ARG  53  -4.029  14.181   1.774
  356    HE   ARG  53           HE       ARG  53  -3.429  12.850   3.551
  357   1HH1  ARG  53          2HH2      ARG  53  -0.886  12.748   1.117
  358   2HH1  ARG  53          1HH2      ARG  53   0.352  12.155   2.184
  359   1HH2  ARG  53          1HH1      ARG  53  -1.855  11.943   4.975
  360   2HH2  ARG  53          2HH1      ARG  53  -0.289  11.479   4.364
  361    H    LYS  54           HN       LYS  54  -5.688  10.653  -0.790
  362    HA   LYS  54           HA       LYS  54  -3.800   8.489  -1.491
  363   1HB   LYS  54          1HB       LYS  54  -6.267   8.398   0.266
  364   2HB   LYS  54          2HB       LYS  54  -4.907   7.284   0.208
  365   1HG   LYS  54          2HG       LYS  54  -3.450   9.405   0.780
  366   2HG   LYS  54          1HG       LYS  54  -5.016  10.124   1.241
  367   1HD   LYS  54          2HD       LYS  54  -5.311   8.259   2.894
  368   2HD   LYS  54          1HD       LYS  54  -3.693   7.677   2.418
  369   1HE   LYS  54          2HE       LYS  54  -2.695   9.789   3.155
  370   2HE   LYS  54          1HE       LYS  54  -4.289  10.390   3.652
  371   1HZ   LYS  54          3HZ       LYS  54  -2.973   7.986   4.715
  372   2HZ   LYS  54          1HZ       LYS  54  -3.034   9.450   5.472
  373   3HZ   LYS  54          2HZ       LYS  54  -4.419   8.594   5.210
  374    H    ALA  55           H        ALA  55  -6.358   9.891  -3.108
  375    HA   ALA  55           HA       ALA  55  -8.095   7.782  -3.708
  376   1HB   ALA  55          1HB       ALA  55  -8.562  10.099  -4.316
  377   2HB   ALA  55          2HB       ALA  55  -7.224  10.089  -5.492
  378   3HB   ALA  55          3HB       ALA  55  -8.648   9.061  -5.750
  379    H    MET  56           H        MET  56  -4.989   8.595  -5.298
  380    HA   MET  56           HA       MET  56  -5.177   6.795  -7.470
  381   1HB   MET  56          2HB       MET  56  -2.657   7.695  -5.970
  382   2HB   MET  56          1HB       MET  56  -2.766   6.997  -7.586
  383   1HG   MET  56          2HG       MET  56  -2.593   9.216  -8.112
  384   2HG   MET  56          1HG       MET  56  -4.348   9.037  -8.086
  385   1HE   MET  56          2HE       MET  56  -3.652  11.840  -8.186
  386   2HE   MET  56          1HE       MET  56  -5.267  11.340  -7.616
  387   3HE   MET  56          3HE       MET  56  -4.354  12.583  -6.729
  388    H    MET  57           H        MET  57  -3.518   6.434  -4.362
  389    HA   MET  57           HA       MET  57  -2.747   3.741  -4.475
  390   1HB   MET  57          2HB       MET  57  -1.893   5.332  -2.886
  391   2HB   MET  57          1HB       MET  57  -3.497   5.614  -2.202
  392   1HG   MET  57          1HG       MET  57  -3.554   3.460  -1.176
  393   2HG   MET  57          2HG       MET  57  -2.134   2.906  -2.066
  394   1HE   MET  57          2HE       MET  57  -3.296   5.885   0.124
  395   2HE   MET  57          1HE       MET  57  -1.883   6.280   1.127
  396   3HE   MET  57          3HE       MET  57  -1.881   6.669  -0.610
  397    H    THR  58           H        THR  58  -5.727   5.226  -3.146
  398    HA   THR  58           HA       THR  58  -7.061   2.924  -2.255
  399    HB   THR  58           HB       THR  58  -8.166   5.496  -3.446
  400    HG1  THR  58           HG1      THR  58  -6.928   5.786  -1.601
  401   1HG2  THR  58          3HG2      THR  58  -9.592   3.369  -1.842
  402   2HG2  THR  58          2HG2      THR  58 -10.217   4.993  -2.167
  403   3HG2  THR  58          1HG2      THR  58  -9.959   3.860  -3.504
  404    H    ASN  59           H        ASN  59  -7.367   4.523  -5.496
  405    HA   ASN  59           HA       ASN  59  -9.055   2.536  -6.580
  406   1HB   ASN  59          1HB       ASN  59  -8.531   4.861  -7.483
  407   2HB   ASN  59          2HB       ASN  59  -7.051   4.184  -8.167
  408   1HD2  ASN  59          1HD2      ASN  59  -9.652   2.005 -10.146
  409   2HD2  ASN  59          2HD2      ASN  59  -8.747   1.477  -8.741
  410    H    ALA  60           H        ALA  60  -5.457   2.768  -6.447
  411    HA   ALA  60           HA       ALA  60  -4.923   0.603  -8.200
  412   1HB   ALA  60          2HB       ALA  60  -3.205   2.196  -7.410
  413   2HB   ALA  60          3HB       ALA  60  -3.276   1.476  -5.788
  414   3HB   ALA  60          1HB       ALA  60  -2.732   0.504  -7.166
  415    H    VAL  61           H        VAL  61  -5.175   0.564  -4.565
  416    HA   VAL  61           HA       VAL  61  -5.073  -2.331  -4.548
  417    HB   VAL  61           HB       VAL  61  -5.777  -2.227  -2.233
  418   1HG1  VAL  61          2HG2      VAL  61  -3.413  -1.976  -2.826
  419   2HG1  VAL  61          3HG2      VAL  61  -3.598  -0.209  -2.917
  420   3HG1  VAL  61          1HG2      VAL  61  -3.816  -1.048  -1.368
  421   1HG2  VAL  61          3HG1      VAL  61  -7.300  -0.211  -2.422
  422   2HG2  VAL  61          1HG1      VAL  61  -6.181  -0.240  -1.052
  423   3HG2  VAL  61          2HG1      VAL  61  -5.844   0.797  -2.444
  424    H    LYS  62           HN       LYS  62  -7.763  -0.049  -4.971
  425    HA   LYS  62           HA       LYS  62  -9.868  -1.782  -4.386
  426   1HB   LYS  62          2HB       LYS  62  -9.932   0.724  -5.031
  427   2HB   LYS  62          1HB       LYS  62  -9.886   0.175  -6.711
  428   1HG   LYS  62          2HG       LYS  62 -12.131   0.624  -6.158
  429   2HG   LYS  62          1HG       LYS  62 -11.998  -1.138  -6.251
  430   1HD   LYS  62          1HD       LYS  62 -11.975  -1.304  -3.788
  431   2HD   LYS  62          2HD       LYS  62 -11.786   0.446  -3.632
  432   1HE   LYS  62          1HE       LYS  62 -14.065  -0.176  -3.138
  433   2HE   LYS  62          2HE       LYS  62 -14.029   0.791  -4.623
  434   1HZ   LYS  62          3HZ       LYS  62 -14.204  -2.143  -4.487
  435   2HZ   LYS  62          2HZ       LYS  62 -15.454  -1.121  -4.817
  436   3HZ   LYS  62          1HZ       LYS  62 -14.193  -1.248  -5.870
  437    H    LYS  63           HN       LYS  63  -7.671  -1.824  -7.199
  438    HA   LYS  63           HA       LYS  63  -9.365  -3.541  -8.785
  439   1HB   LYS  63          1HB       LYS  63  -6.811  -2.073  -9.022
  440   2HB   LYS  63          2HB       LYS  63  -6.712  -3.687  -9.668
  441   1HG   LYS  63          2HG       LYS  63  -7.394  -2.159 -11.414
  442   2HG   LYS  63          1HG       LYS  63  -8.747  -3.244 -11.052
  443   1HD   LYS  63          1HD       LYS  63  -9.786  -1.435  -9.636
  444   2HD   LYS  63          2HD       LYS  63  -8.373  -0.418  -9.932
  445   1HE   LYS  63          2HE       LYS  63 -10.242   0.250 -11.388
  446   2HE   LYS  63          1HE       LYS  63  -8.893  -0.363 -12.359
  447   1HZ   LYS  63          1HZ       LYS  63 -11.292  -1.884 -11.596
  448   2HZ   LYS  63          3HZ       LYS  63 -11.011  -1.208 -13.072
  449   3HZ   LYS  63          2HZ       LYS  63 -10.058  -2.439 -12.538
  450    H    ALA  64           H        ALA  64  -7.536  -4.107  -5.977
  451    HA   ALA  64           HA       ALA  64  -6.654  -6.888  -6.603
  452   1HB   ALA  64          1HB       ALA  64  -5.300  -5.071  -5.359
  453   2HB   ALA  64          2HB       ALA  64  -6.438  -5.349  -4.025
  454   3HB   ALA  64          3HB       ALA  64  -5.432  -6.669  -4.633
  455    H    SER  65           H        SER  65  -7.042  -7.886  -4.114
  456    HA   SER  65           HA       SER  65  -9.929  -7.674  -3.438
  457   1HB   SER  65          2HB       SER  65  -8.732 -10.228  -4.540
  458   2HB   SER  65          1HB       SER  65 -10.143 -10.220  -3.484
  459    HG   SER  65           HG       SER  65 -10.122  -8.378  -5.595
  460    H    ASP  66           HN       ASP  66  -7.738 -10.247  -2.457
  461    HA   ASP  66           HA       ASP  66  -7.491  -8.990   0.233
  462   1HB   ASP  66          2HB       ASP  66  -9.599 -10.240   0.373
  463   2HB   ASP  66          1HB       ASP  66  -8.795 -11.713  -0.196
  464    H    GLU  67           HN       GLU  67  -6.884 -12.031  -1.601
  465    HA   GLU  67           HA       GLU  67  -4.677 -13.024  -0.362
  466   1HB   GLU  67          1HB       GLU  67  -4.873 -12.923  -3.402
  467   2HB   GLU  67          2HB       GLU  67  -4.398 -14.191  -2.281
  468   1HG   GLU  67          1HG       GLU  67  -6.357 -15.043  -3.037
  469   2HG   GLU  67          2HG       GLU  67  -6.897 -14.264  -1.552
  470    H    GLU  68           HN       GLU  68  -4.880 -10.673  -2.963
  471    HA   GLU  68           HA       GLU  68  -2.278  -9.963  -3.497
  472   1HB   GLU  68          2HB       GLU  68  -4.923  -8.417  -3.456
  473   2HB   GLU  68          1HB       GLU  68  -3.485  -7.991  -4.337
  474   1HG   GLU  68          1HG       GLU  68  -4.497  -9.032  -6.068
  475   2HG   GLU  68          2HG       GLU  68  -3.843 -10.512  -5.339
  476    H    LEU  69           H        LEU  69  -4.678  -8.477  -1.267
  477    HA   LEU  69           HA       LEU  69  -3.053  -6.320  -0.381
  478   1HB   LEU  69          1HB       LEU  69  -5.301  -7.641   1.154
  479   2HB   LEU  69          2HB       LEU  69  -4.631  -6.024   1.371
  480    HG   LEU  69           HG       LEU  69  -6.258  -7.069  -0.986
  481   1HD1  LEU  69          1HD1      LEU  69  -7.432  -6.344   1.082
  482   2HD1  LEU  69          2HD1      LEU  69  -6.643  -4.753   0.938
  483   3HD1  LEU  69          3HD1      LEU  69  -7.788  -5.296  -0.310
  484   1HD2  LEU  69          3HD2      LEU  69  -4.744  -4.430  -0.773
  485   2HD2  LEU  69          2HD2      LEU  69  -4.596  -5.657  -2.047
  486   3HD2  LEU  69          1HD2      LEU  69  -6.087  -4.715  -1.880
  487    H    LYS  70           HN       LYS  70  -3.668  -9.567   1.020
  488    HA   LYS  70           HA       LYS  70  -2.030  -9.230   3.342
  489   1HB   LYS  70          1HB       LYS  70  -2.844 -11.715   1.784
  490   2HB   LYS  70          2HB       LYS  70  -2.021 -11.750   3.355
  491   1HG   LYS  70          1HG       LYS  70  -3.852 -10.470   4.384
  492   2HG   LYS  70          2HG       LYS  70  -4.726 -10.427   2.846
  493   1HD   LYS  70          1HD       LYS  70  -4.070 -12.907   4.500
  494   2HD   LYS  70          2HD       LYS  70  -5.650 -12.120   4.312
  495   1HE   LYS  70          2HE       LYS  70  -5.435 -12.557   1.799
  496   2HE   LYS  70          1HE       LYS  70  -4.059 -13.614   2.183
  497   1HZ   LYS  70          2HZ       LYS  70  -5.562 -14.864   3.602
  498   2HZ   LYS  70          3HZ       LYS  70  -6.818 -13.898   3.129
  499   3HZ   LYS  70          1HZ       LYS  70  -6.054 -14.852   2.028
  500    H    ALA  71           H        ALA  71  -1.312 -10.622   0.094
  501    HA   ALA  71           HA       ALA  71   1.424 -11.167   0.698
  502   1HB   ALA  71          2HB       ALA  71   0.034 -10.628  -1.969
  503   2HB   ALA  71          1HB       ALA  71   1.644 -11.353  -1.765
  504   3HB   ALA  71          3HB       ALA  71   0.201 -12.210  -1.172
  505    H    LEU  72           H        LEU  72  -0.185  -8.206  -0.483
  506    HA   LEU  72           HA       LEU  72   2.263  -6.944  -1.278
  507   1HB   LEU  72          2HB       LEU  72  -0.057  -6.519  -2.106
  508   2HB   LEU  72          1HB       LEU  72  -0.446  -5.717  -0.581
  509    HG   LEU  72           HG       LEU  72   1.119  -3.920  -1.138
  510   1HD1  LEU  72          3HD1      LEU  72   1.856  -5.617  -3.544
  511   2HD1  LEU  72          2HD1      LEU  72   2.287  -3.907  -3.358
  512   3HD1  LEU  72          1HD1      LEU  72   2.948  -5.103  -2.237
  513   1HD2  LEU  72          1HD2      LEU  72  -0.622  -4.818  -3.493
  514   2HD2  LEU  72          3HD2      LEU  72  -1.138  -3.823  -2.126
  515   3HD2  LEU  72          2HD2      LEU  72   0.039  -3.193  -3.310
  516    H    ALA  73           H        ALA  73   0.176  -6.861   1.639
  517    HA   ALA  73           HA       ALA  73   1.796  -5.193   3.239
  518   1HB   ALA  73          2HB       ALA  73   0.062  -7.600   3.990
  519   2HB   ALA  73          3HB       ALA  73   0.722  -6.435   5.138
  520   3HB   ALA  73          1HB       ALA  73  -0.445  -5.905   3.907
  521    H    ASP  74           HN       ASP  74   1.871  -8.805   2.890
  522    HA   ASP  74           HA       ASP  74   4.054  -9.337   4.451
  523   1HB   ASP  74          1HB       ASP  74   2.655 -11.052   3.363
  524   2HB   ASP  74          2HB       ASP  74   3.419 -10.686   1.805
  525    H    TYR  75           H        TYR  75   4.251  -8.425   0.912
  526    HA   TYR  75           HA       TYR  75   7.008  -8.491   0.595
  527   1HB   TYR  75          1HB       TYR  75   5.307  -7.906  -1.130
  528   2HB   TYR  75          2HB       TYR  75   5.119  -6.321  -0.430
  529    HD1  TYR  75           HD1      TYR  75   7.242  -4.767  -0.306
  530    HD2  TYR  75           HD2      TYR  75   6.814  -8.138  -2.960
  531    HE1  TYR  75           HE1      TYR  75   8.829  -3.728  -1.869
  532    HE2  TYR  75           HE2      TYR  75   8.395  -7.064  -4.541
  533    HH   TYR  75           HH       TYR  75   9.937  -3.886  -3.900
  534    H    MET  76           H        MET  76   5.155  -5.570   1.647
  535    HA   MET  76           HA       MET  76   7.477  -4.046   2.336
  536   1HB   MET  76          2HB       MET  76   4.463  -3.886   2.468
  537   2HB   MET  76          1HB       MET  76   5.387  -2.841   3.508
  538   1HG   MET  76          1HG       MET  76   6.587  -1.866   1.640
  539   2HG   MET  76          2HG       MET  76   6.011  -3.124   0.546
  540   1HE   MET  76          2HE       MET  76   3.782  -3.377  -0.436
  541   2HE   MET  76          3HE       MET  76   2.772  -3.149   1.010
  542   3HE   MET  76          1HE       MET  76   2.508  -2.133  -0.431
  543    H    SER  77           H        SER  77   5.690  -6.416   4.135
  544    HA   SER  77           HA       SER  77   6.927  -5.587   6.678
  545   1HB   SER  77          1HB       SER  77   4.597  -6.594   6.438
  546   2HB   SER  77          2HB       SER  77   5.402  -8.134   6.099
  547    HG   SER  77           HG       SER  77   6.589  -7.740   8.105
  548    H    LYS  78           HN       LYS  78   8.303  -7.048   4.020
  549    HA   LYS  78           HA       LYS  78  10.110  -8.747   5.704
  550   1HB   LYS  78          2HB       LYS  78   9.058  -9.281   2.890
  551   2HB   LYS  78          1HB       LYS  78  10.460 -10.092   3.619
  552   1HG   LYS  78          1HG       LYS  78   9.078 -11.013   5.417
  553   2HG   LYS  78          2HG       LYS  78   7.667 -10.131   4.825
  554   1HD   LYS  78          1HD       LYS  78   7.506 -12.430   4.112
  555   2HD   LYS  78          2HD       LYS  78   7.731 -11.383   2.699
  556   1HE   LYS  78          1HE       LYS  78  10.098 -12.042   2.545
  557   2HE   LYS  78          2HE       LYS  78   9.966 -12.968   4.055
  558   1HZ   LYS  78          3HZ       LYS  78   8.506 -13.514   1.567
  559   2HZ   LYS  78          2HZ       LYS  78   9.813 -14.351   2.124
  560   3HZ   LYS  78          1HZ       LYS  78   8.392 -14.387   2.960
  561    H    LEU  79           H        LEU  79  10.121  -5.937   5.354
  562    HA   LEU  79           HA       LEU  79  12.584  -5.383   3.995
  563   1HB   LEU  79          1HB       LEU  79   9.700  -4.613   3.364
  564   2HB   LEU  79          2HB       LEU  79  10.830  -3.345   3.346
  565    HG   LEU  79           HG       LEU  79  10.819  -5.845   1.598
  566   1HD1  LEU  79          1HD2      LEU  79   9.245  -4.047   0.984
  567   2HD1  LEU  79          3HD2      LEU  79  10.582  -2.879   0.928
  568   3HD1  LEU  79          2HD2      LEU  79  10.516  -4.228  -0.227
  569   1HD2  LEU  79          3HD1      LEU  79  12.940  -3.659   1.643
  570   2HD2  LEU  79          2HD1      LEU  79  13.200  -5.391   1.966
  571   3HD2  LEU  79          1HD1      LEU  79  12.744  -4.873   0.359
  572    HHA  HEC   1           HHA      HEM   1   1.622   5.157   4.006
  573    HHB  HEC   1           HHB      HEM   1  -0.475  -0.037   0.951
  574    HHC  HEC   1           HHC      HEM   1   1.124   2.877  -4.495
  575    HHD  HEC   1           HHD      HEM   1   0.918   8.514  -1.298
  576   1HMA  HEC   1          1HMA      HEM   1   0.480  -0.577   3.349
  577   2HMA  HEC   1          2HMA      HEM   1  -1.223  -0.046   3.312
  578   3HMA  HEC   1          3HMA      HEM   1  -0.237   0.230   4.755
  579   1HAA  HEC   1          1HAA      HEM   1   0.774   1.913   5.773
  580   2HAA  HEC   1          2HAA      HEM   1   1.816   3.261   5.382
  581   1HBA  HEC   1          1HBA      HEM   1  -0.328   4.680   5.147
  582   2HBA  HEC   1          2HBA      HEM   1  -1.179   3.331   5.859
  583   1HMB  HEC   1          1HMB      HEM   1   0.179  -1.755  -1.337
  584   2HMB  HEC   1          2HMB      HEM   1  -1.416  -1.163  -0.786
  585   3HMB  HEC   1          3HMB      HEM   1  -1.130  -1.429  -2.507
  586    HAB  HEC   1           HAB      HEM   1   0.722  -0.933  -4.045
  587   1HBB  HEC   1          1HBB      HEM   1  -0.049   1.597  -5.607
  588   2HBB  HEC   1          2HBB      HEM   1   0.445   0.042  -6.281
  589   3HBB  HEC   1          3HBB      HEM   1  -1.029   0.168  -5.322
  590   1HMC  HEC   1          1HMC      HEM   1   0.896   6.367  -6.232
  591   2HMC  HEC   1          2HMC      HEM   1   0.138   4.795  -5.957
  592   3HMC  HEC   1          3HMC      HEM   1   1.910   4.930  -5.995
  593    HAC  HEC   1           HAC      HEM   1   2.061   8.746  -3.237
  594   1HBC  HEC   1          1HBC      HEM   1   0.058   8.429  -5.496
  595   2HBC  HEC   1          2HBC      HEM   1  -0.278   9.134  -3.902
  596   3HBC  HEC   1          3HBC      HEM   1   0.866   9.929  -5.011
  597   1HMD  HEC   1          1HMD      HEM   1  -0.589   9.551   0.420
  598   2HMD  HEC   1          2HMD      HEM   1  -0.459   9.738   2.178
  599   3HMD  HEC   1          3HMD      HEM   1   0.956  10.047   1.161
  600   1HAD  HEC   1          1HAD      HEM   1  -0.820   8.248   3.941
  601   2HAD  HEC   1          2HAD      HEM   1  -0.637   6.571   4.153
  602   1HBD  HEC   1          1HBD      HEM   1   0.516   7.136   5.969
  603   2HBD  HEC   1          2HBD      HEM   1   1.887   7.131   4.906
   
  No H/Q in entry =         603
  Start of MODEL   11
    1   1H    ALA   1          2H        ALA   1   0.423  -9.509  -8.950
    2   2H    ALA   1          1H        ALA   1  -0.832 -10.061  -9.860
    3   3H    ALA   1          3H        ALA   1  -1.109  -9.592  -8.314
    4    HA   ALA   1           HA       ALA   1  -1.207 -11.835  -8.194
    5   1HB   ALA   1          2HB       ALA   1  -0.343 -12.361 -10.372
    6   2HB   ALA   1          1HB       ALA   1   1.315 -12.026  -9.845
    7   3HB   ALA   1          3HB       ALA   1   0.409 -13.356  -9.115
    8    H    ASP   2           HN       ASP   2  -0.848 -12.353  -6.164
    9    HA   ASP   2           HA       ASP   2  -0.022 -12.412  -4.081
   10   1HB   ASP   2          2HB       ASP   2   0.600 -14.482  -5.260
   11   2HB   ASP   2          1HB       ASP   2   2.169 -13.776  -5.684
   12    H    GLY   3           H        GLY   3   0.388  -9.927  -4.133
   13   1HA   GLY   3          1HA       GLY   3   1.526  -8.308  -2.979
   14   2HA   GLY   3          2HA       GLY   3   2.728  -9.508  -2.550
   15    H    ALA   4           H        ALA   4   4.055 -10.239  -4.374
   16    HA   ALA   4           HA       ALA   4   5.913  -8.183  -4.982
   17   1HB   ALA   4          1HB       ALA   4   5.607 -10.933  -6.270
   18   2HB   ALA   4          2HB       ALA   4   7.035  -9.882  -6.389
   19   3HB   ALA   4          3HB       ALA   4   6.550 -10.546  -4.817
   20    H    ALA   5           H        ALA   5   3.675  -9.903  -7.255
   21    HA   ALA   5           HA       ALA   5   4.352  -7.916  -9.335
   22   1HB   ALA   5          1HB       ALA   5   4.398 -10.252  -9.964
   23   2HB   ALA   5          3HB       ALA   5   2.704 -10.432  -9.482
   24   3HB   ALA   5          2HB       ALA   5   3.129  -9.380 -10.848
   25    H    LEU   6           H        LEU   6   3.198  -6.749  -7.278
   26    HA   LEU   6           HA       LEU   6   0.865  -5.431  -8.488
   27   1HB   LEU   6          1HB       LEU   6   1.030  -6.206  -5.534
   28   2HB   LEU   6          2HB       LEU   6  -0.060  -5.039  -6.239
   29    HG   LEU   6           HG       LEU   6  -0.313  -7.423  -7.776
   30   1HD1  LEU   6          1HD1      LEU   6   0.731  -8.571  -5.926
   31   2HD1  LEU   6          2HD1      LEU   6  -0.452  -7.891  -4.773
   32   3HD1  LEU   6          3HD1      LEU   6  -0.965  -9.049  -6.010
   33   1HD2  LEU   6          3HD2      LEU   6  -2.070  -5.720  -7.418
   34   2HD2  LEU   6          1HD2      LEU   6  -2.651  -7.337  -7.001
   35   3HD2  LEU   6          2HD2      LEU   6  -2.186  -6.200  -5.712
   36    H    TYR   7           H        TYR   7   3.109  -5.570  -5.697
   37    HA   TYR   7           HA       TYR   7   3.417  -2.991  -5.006
   38   1HB   TYR   7          2HB       TYR   7   4.556  -5.002  -4.022
   39   2HB   TYR   7          1HB       TYR   7   5.722  -4.951  -5.324
   40    HD1  TYR   7           HD1      TYR   7   4.210  -2.431  -2.905
   41    HD2  TYR   7           HD2      TYR   7   7.789  -3.996  -4.740
   42    HE1  TYR   7           HE1      TYR   7   5.502  -0.519  -2.030
   43    HE2  TYR   7           HE2      TYR   7   9.099  -2.175  -3.711
   44    HH   TYR   7           HH       TYR   7   8.931  -0.013  -2.775
   45    H    LYS   8           HN       LYS   8   5.034  -4.527  -7.690
   46    HA   LYS   8           HA       LYS   8   6.811  -2.760  -8.717
   47   1HB   LYS   8          2HB       LYS   8   4.623  -4.058 -10.383
   48   2HB   LYS   8          1HB       LYS   8   6.177  -3.439 -10.973
   49   1HG   LYS   8          2HG       LYS   8   7.291  -5.091  -9.339
   50   2HG   LYS   8          1HG       LYS   8   5.698  -5.841  -9.171
   51   1HD   LYS   8          1HD       LYS   8   7.333  -5.539 -11.725
   52   2HD   LYS   8          2HD       LYS   8   6.997  -7.031 -10.834
   53   1HE   LYS   8          2HE       LYS   8   4.520  -6.669 -11.324
   54   2HE   LYS   8          1HE       LYS   8   4.984  -5.311 -12.363
   55   1HZ   LYS   8          1HZ       LYS   8   6.276  -6.824 -13.670
   56   2HZ   LYS   8          3HZ       LYS   8   5.841  -8.092 -12.711
   57   3HZ   LYS   8          2HZ       LYS   8   4.701  -7.305 -13.602
   58    H    SER   9           H        SER   9   3.259  -2.252  -8.913
   59    HA   SER   9           HA       SER   9   3.523   0.154 -10.549
   60   1HB   SER   9          1HB       SER   9   1.133   0.465 -10.028
   61   2HB   SER   9          2HB       SER   9   1.487  -1.147 -10.670
   62    HG   SER   9           HG       SER   9   1.397  -1.937  -8.495
   63    H    CYS  10           H        CYS  10   3.074  -0.547  -7.110
   64    HA   CYS  10           HA       CYS  10   2.582   2.032  -6.090
   65   1HB   CYS  10          2HB       CYS  10   3.931  -0.142  -4.571
   66   2HB   CYS  10          1HB       CYS  10   2.857   1.092  -3.979
   67    H    ILE  11           H        ILE  11   5.517   0.135  -6.726
   68    HA   ILE  11           HA       ILE  11   7.438   1.645  -5.501
   69    HB   ILE  11           HB       ILE  11   7.537   0.261  -8.196
   70   1HG1  ILE  11          2HG1      ILE  11   8.682  -0.411  -5.451
   71   2HG1  ILE  11          1HG1      ILE  11   7.258  -1.156  -6.184
   72   1HG2  ILE  11          1HG2      ILE  11   9.914   1.460  -6.729
   73   2HG2  ILE  11          2HG2      ILE  11  10.004   0.407  -8.153
   74   3HG2  ILE  11          3HG2      ILE  11   9.285   1.989  -8.304
   75   1HD1  ILE  11          1HD1      ILE  11   8.839  -1.915  -8.086
   76   2HD1  ILE  11          3HD1      ILE  11  10.163  -1.486  -6.979
   77   3HD1  ILE  11          2HD1      ILE  11   8.991  -2.721  -6.513
   78    H    GLY  12           H        GLY  12   5.618   2.453  -8.449
   79   1HA   GLY  12          1HA       GLY  12   7.081   4.521  -9.566
   80   2HA   GLY  12          2HA       GLY  12   5.312   4.434  -9.504
   81    H    CYS  13           H        CYS  13   5.157   4.581  -6.503
   82    HA   CYS  13           HA       CYS  13   5.823   7.502  -6.222
   83   1HB   CYS  13          1HB       CYS  13   3.433   6.906  -6.359
   84   2HB   CYS  13          2HB       CYS  13   3.650   5.890  -4.906
   85    H    HIS  14           HN       HIS  14   5.736   4.317  -4.619
   86    HA   HIS  14           HA       HIS  14   6.821   5.329  -2.123
   87   1HB   HIS  14          2HB       HIS  14   5.989   2.611  -3.174
   88   2HB   HIS  14          1HB       HIS  14   6.742   2.826  -1.600
   89    HD1  HIS  14           HD1      HIS  14   5.635   4.768  -0.021
   90    HD2  HIS  14           HD2      HIS  14   3.264   3.201  -3.072
   91    HE1  HIS  14           HE1      HIS  14   3.265   5.229   0.616
   92    H    GLY  15           H        GLY  15   8.290   3.990  -5.017
   93   1HA   GLY  15          2HA       GLY  15  10.530   3.811  -5.492
   94   2HA   GLY  15          1HA       GLY  15  10.952   4.276  -3.838
   95    H    ALA  16           H        ALA  16  12.558   2.476  -4.318
   96    HA   ALA  16           HA       ALA  16  11.796  -0.214  -4.633
   97   1HB   ALA  16          2HB       ALA  16  14.308   0.973  -3.376
   98   2HB   ALA  16          3HB       ALA  16  14.096  -0.728  -3.851
   99   3HB   ALA  16          1HB       ALA  16  14.049   0.550  -5.079
  100    H    ASP  17           HN       ASP  17  13.280   0.889  -1.530
  101    HA   ASP  17           HA       ASP  17  11.815  -1.236  -0.147
  102   1HB   ASP  17          1HB       ASP  17  13.222  -0.773   1.699
  103   2HB   ASP  17          2HB       ASP  17  14.218  -0.972   0.254
  104    H    GLY  18           H        GLY  18  10.056   0.428  -1.044
  105   1HA   GLY  18          1HA       GLY  18   8.505   2.107  -0.703
  106   2HA   GLY  18          2HA       GLY  18   8.188   1.110   0.721
  107    H    SER  19           H        SER  19  10.826   3.381  -0.156
  108    HA   SER  19           HA       SER  19  10.747   4.609   2.510
  109   1HB   SER  19          1HB       SER  19  13.108   5.237   1.649
  110   2HB   SER  19          2HB       SER  19  12.740   3.534   1.990
  111    HG   SER  19           HG       SER  19  13.572   3.429  -0.009
  112    H    LYS  20           HN       LYS  20   9.832   5.513  -0.733
  113    HA   LYS  20           HA       LYS  20  10.827   8.181  -0.783
  114   1HB   LYS  20          2HB       LYS  20   8.345   6.911  -1.927
  115   2HB   LYS  20          1HB       LYS  20   8.773   8.558  -2.313
  116   1HG   LYS  20          1HG       LYS  20  10.743   6.306  -2.791
  117   2HG   LYS  20          2HG       LYS  20   9.416   6.631  -3.914
  118   1HD   LYS  20          2HD       LYS  20  11.589   8.629  -3.121
  119   2HD   LYS  20          1HD       LYS  20  11.541   7.691  -4.614
  120   1HE   LYS  20          2HE       LYS  20   9.652   9.936  -3.793
  121   2HE   LYS  20          1HE       LYS  20  10.757   9.871  -5.164
  122   1HZ   LYS  20          3HZ       LYS  20   9.404   8.093  -6.071
  123   2HZ   LYS  20          1HZ       LYS  20   8.351   8.220  -4.807
  124   3HZ   LYS  20          2HZ       LYS  20   8.535   9.476  -5.855
  125    H    ALA  21           H        ALA  21   9.852  10.160  -0.415
  126    HA   ALA  21           HA       ALA  21   7.889  10.410   1.759
  127   1HB   ALA  21          2HB       ALA  21   9.245  12.458  -0.064
  128   2HB   ALA  21          1HB       ALA  21   8.243  12.834   1.351
  129   3HB   ALA  21          3HB       ALA  21   9.782  11.984   1.563
  130    H    ALA  22           H        ALA  22   6.504   8.940   0.366
  131    HA   ALA  22           HA       ALA  22   5.400   9.648  -2.106
  132   1HB   ALA  22          2HB       ALA  22   5.242   7.436  -1.124
  133   2HB   ALA  22          3HB       ALA  22   4.169   8.037   0.162
  134   3HB   ALA  22          1HB       ALA  22   3.630   8.033  -1.534
  135    H    MET  23           H        MET  23   3.898  11.109  -2.755
  136    HA   MET  23           HA       MET  23   2.968  13.183  -2.691
  137   1HB   MET  23          1HB       MET  23   1.200  12.124  -0.466
  138   2HB   MET  23          2HB       MET  23   0.813  13.290  -1.738
  139   1HG   MET  23          2HG       MET  23   1.246  11.374  -3.403
  140   2HG   MET  23          1HG       MET  23   1.311  10.328  -1.966
  141   1HE   MET  23          3HE       MET  23  -0.836  12.206  -4.503
  142   2HE   MET  23          2HE       MET  23  -2.455  12.208  -3.771
  143   3HE   MET  23          1HE       MET  23  -1.182  13.255  -3.104
  144    H    GLY  24           H        GLY  24   5.346  13.004  -0.951
  145   1HA   GLY  24          1HA       GLY  24   6.423  14.679   0.230
  146   2HA   GLY  24          2HA       GLY  24   4.885  15.473   0.594
  147    H    SER  25           H        SER  25   4.798  15.511   2.838
  148    HA   SER  25           HA       SER  25   6.024  13.731   4.567
  149   1HB   SER  25          2HB       SER  25   3.548  15.339   5.196
  150   2HB   SER  25          1HB       SER  25   4.933  14.993   6.249
  151    HG   SER  25           HG       SER  25   5.037  17.120   5.346
  152    H    ALA  26           H        ALA  26   5.542  11.547   4.196
  153    HA   ALA  26           HA       ALA  26   2.945  10.593   5.249
  154   1HB   ALA  26          3HB       ALA  26   2.696  10.687   2.787
  155   2HB   ALA  26          1HB       ALA  26   4.191   9.738   2.599
  156   3HB   ALA  26          2HB       ALA  26   2.759   9.009   3.343
  157    H    LYS  27           HN       LYS  27   3.141   8.506   6.233
  158    HA   LYS  27           HA       LYS  27   5.678   7.887   7.330
  159   1HB   LYS  27          1HB       LYS  27   3.287   5.997   7.086
  160   2HB   LYS  27          2HB       LYS  27   4.700   5.822   8.136
  161   1HG   LYS  27          2HG       LYS  27   4.074   8.104   9.142
  162   2HG   LYS  27          1HG       LYS  27   2.524   7.926   8.311
  163   1HD   LYS  27          1HD       LYS  27   3.698   5.985  10.354
  164   2HD   LYS  27          2HD       LYS  27   2.441   7.181  10.682
  165   1HE   LYS  27          2HE       LYS  27   2.185   4.815   8.771
  166   2HE   LYS  27          1HE       LYS  27   1.490   4.926  10.387
  167   1HZ   LYS  27          2HZ       LYS  27   0.809   6.697   8.143
  168   2HZ   LYS  27          1HZ       LYS  27  -0.095   5.445   8.690
  169   3HZ   LYS  27          3HZ       LYS  27   0.162   6.758   9.656
  170    HA   PRO  28           HA       PRO  28   7.096   5.835   3.576
  171   1HB   PRO  28          2HB       PRO  28   9.590   4.995   4.383
  172   2HB   PRO  28          1HB       PRO  28   9.222   6.701   3.978
  173   1HG   PRO  28          2HG       PRO  28   9.317   5.398   6.713
  174   2HG   PRO  28          1HG       PRO  28  10.037   6.958   6.223
  175   1HD   PRO  28          1HD       PRO  28   7.633   6.775   7.514
  176   2HD   PRO  28          2HD       PRO  28   7.925   8.033   6.271
  177    H    VAL  29           H        VAL  29   5.536   4.371   3.781
  178    HA   VAL  29           HA       VAL  29   4.682   2.338   4.972
  179    HB   VAL  29           HB       VAL  29   5.707   1.793   2.179
  180   1HG1  VAL  29          2HG1      VAL  29   3.232   0.899   3.737
  181   2HG1  VAL  29          1HG1      VAL  29   3.489   0.588   2.017
  182   3HG1  VAL  29          3HG1      VAL  29   4.581  -0.137   3.207
  183   1HG2  VAL  29          2HG2      VAL  29   3.397   3.478   3.178
  184   2HG2  VAL  29          1HG2      VAL  29   4.687   3.965   2.065
  185   3HG2  VAL  29          3HG2      VAL  29   3.452   2.802   1.530
  186    H    LYS  30           HN       LYS  30   7.730   1.996   3.259
  187    HA   LYS  30           HA       LYS  30   8.917  -0.013   2.803
  188   1HB   LYS  30          1HB       LYS  30  10.155   1.596   4.081
  189   2HB   LYS  30          2HB       LYS  30   9.459   1.011   5.585
  190   1HG   LYS  30          1HG       LYS  30  10.684  -1.174   5.261
  191   2HG   LYS  30          2HG       LYS  30  11.187  -0.661   3.652
  192   1HD   LYS  30          1HD       LYS  30  12.467   1.230   4.669
  193   2HD   LYS  30          2HD       LYS  30  12.046   0.619   6.284
  194   1HE   LYS  30          2HE       LYS  30  13.635  -0.845   4.114
  195   2HE   LYS  30          1HE       LYS  30  14.294  -0.151   5.605
  196   1HZ   LYS  30          2HZ       LYS  30  12.893  -1.739   6.807
  197   2HZ   LYS  30          3HZ       LYS  30  12.417  -2.402   5.368
  198   3HZ   LYS  30          1HZ       LYS  30  13.991  -2.476   5.819
  199    H    GLY  31           H        GLY  31   8.621  -0.734   6.222
  200   1HA   GLY  31          1HA       GLY  31   6.666  -2.892   5.751
  201   2HA   GLY  31          2HA       GLY  31   8.229  -3.295   6.467
  202    H    GLN  32           H        GLN  32   5.676  -0.803   6.881
  203    HA   GLN  32           HA       GLN  32   6.024  -0.114   9.497
  204   1HB   GLN  32          2HB       GLN  32   3.188  -0.835   8.865
  205   2HB   GLN  32          1HB       GLN  32   3.794   0.519   9.794
  206   1HG   GLN  32          1HG       GLN  32   3.887   0.277   6.766
  207   2HG   GLN  32          2HG       GLN  32   2.572   1.003   7.677
  208   1HE2  GLN  32          1HE2      GLN  32   3.935   4.064   6.826
  209   2HE2  GLN  32          2HE2      GLN  32   2.539   3.049   6.993
  210    H    GLY  33           H        GLY  33   4.091  -2.746   8.540
  211   1HA   GLY  33          1HA       GLY  33   5.220  -4.947   9.732
  212   2HA   GLY  33          2HA       GLY  33   4.043  -4.426  10.949
  213    H    ALA  34           H        ALA  34   4.148  -6.680   8.867
  214    HA   ALA  34           HA       ALA  34   2.299  -6.658   6.943
  215   1HB   ALA  34          3HB       ALA  34   2.528  -8.737   9.144
  216   2HB   ALA  34          2HB       ALA  34   1.795  -8.995   7.535
  217   3HB   ALA  34          1HB       ALA  34   3.532  -8.639   7.683
  218    H    GLU  35           HN       GLU  35   1.303  -6.963  10.434
  219    HA   GLU  35           HA       GLU  35  -1.445  -7.215   9.976
  220   1HB   GLU  35          1HB       GLU  35   0.242  -6.082  12.279
  221   2HB   GLU  35          2HB       GLU  35  -1.478  -6.372  12.321
  222   1HG   GLU  35          2HG       GLU  35  -0.466  -8.239  13.386
  223   2HG   GLU  35          1HG       GLU  35  -1.111  -8.799  11.840
  224    H    GLU  36           HN       GLU  36   0.621  -4.312  10.617
  225    HA   GLU  36           HA       GLU  36  -1.427  -2.394  10.767
  226   1HB   GLU  36          2HB       GLU  36   1.079  -2.383  11.498
  227   2HB   GLU  36          1HB       GLU  36   1.481  -2.148   9.817
  228   1HG   GLU  36          1HG       GLU  36   1.565  -0.186  11.042
  229   2HG   GLU  36          2HG       GLU  36   0.362  -0.007   9.744
  230    H    LEU  37           H        LEU  37   0.775  -3.432   8.187
  231    HA   LEU  37           HA       LEU  37  -0.116  -1.724   6.117
  232   1HB   LEU  37          1HB       LEU  37   1.181  -4.471   6.124
  233   2HB   LEU  37          2HB       LEU  37   0.949  -3.521   4.657
  234    HG   LEU  37           HG       LEU  37   2.509  -2.419   7.029
  235   1HD1  LEU  37          3HD2      LEU  37   3.532  -4.537   6.282
  236   2HD1  LEU  37          1HD2      LEU  37   3.525  -3.954   4.606
  237   3HD1  LEU  37          2HD2      LEU  37   4.517  -3.143   5.833
  238   1HD2  LEU  37          2HD1      LEU  37   2.294  -1.661   4.088
  239   2HD2  LEU  37          1HD1      LEU  37   1.879  -0.664   5.502
  240   3HD2  LEU  37          3HD1      LEU  37   3.565  -1.087   5.158
  241    H    TYR  38           HN       TYR  38  -0.958  -5.224   6.608
  242    HA   TYR  38           HA       TYR  38  -2.872  -5.534   4.747
  243   1HB   TYR  38          1HB       TYR  38  -2.106  -7.207   6.474
  244   2HB   TYR  38          2HB       TYR  38  -3.171  -6.509   7.624
  245    HD1  TYR  38           HD1      TYR  38  -3.918  -7.204   3.953
  246    HD2  TYR  38           HE2      TYR  38  -4.748  -8.197   8.082
  247    HE1  TYR  38           HD2      TYR  38  -5.942  -8.379   3.261
  248    HE2  TYR  38           HE1      TYR  38  -6.696  -9.537   7.341
  249    HH   TYR  38           HH       TYR  38  -7.591  -9.855   3.896
  250    H    LYS  39           HN       LYS  39  -3.516  -4.537   8.034
  251    HA   LYS  39           HA       LYS  39  -6.266  -3.901   7.778
  252   1HB   LYS  39          1HB       LYS  39  -4.130  -2.588   9.507
  253   2HB   LYS  39          2HB       LYS  39  -5.863  -2.214   9.638
  254   1HG   LYS  39          1HG       LYS  39  -6.421  -4.406  10.349
  255   2HG   LYS  39          2HG       LYS  39  -4.868  -5.069   9.840
  256   1HD   LYS  39          1HD       LYS  39  -4.981  -4.917  12.253
  257   2HD   LYS  39          2HD       LYS  39  -3.681  -3.905  11.624
  258   1HE   LYS  39          2HE       LYS  39  -6.430  -2.761  12.304
  259   2HE   LYS  39          1HE       LYS  39  -5.173  -2.980  13.530
  260   1HZ   LYS  39          2HZ       LYS  39  -3.724  -1.590  12.274
  261   2HZ   LYS  39          1HZ       LYS  39  -4.876  -1.337  11.126
  262   3HZ   LYS  39          3HZ       LYS  39  -5.113  -0.795  12.660
  263    H    LYS  40           HN       LYS  40  -3.489  -1.691   7.152
  264    HA   LYS  40           HA       LYS  40  -5.159   0.518   6.339
  265   1HB   LYS  40          2HB       LYS  40  -2.227  -0.186   6.225
  266   2HB   LYS  40          1HB       LYS  40  -2.831   1.068   5.152
  267   1HG   LYS  40          1HG       LYS  40  -1.988   1.961   7.252
  268   2HG   LYS  40          2HG       LYS  40  -3.684   2.369   6.966
  269   1HD   LYS  40          2HD       LYS  40  -4.312   0.552   8.614
  270   2HD   LYS  40          1HD       LYS  40  -2.585   0.386   8.982
  271   1HE   LYS  40          1HE       LYS  40  -4.247   2.938   9.253
  272   2HE   LYS  40          2HE       LYS  40  -3.729   1.887  10.581
  273   1HZ   LYS  40          2HZ       LYS  40  -1.912   3.362   8.798
  274   2HZ   LYS  40          1HZ       LYS  40  -2.316   3.781  10.339
  275   3HZ   LYS  40          3HZ       LYS  40  -1.481   2.389  10.067
  276    H    MET  41           H        MET  41  -3.378  -1.911   4.248
  277    HA   MET  41           HA       MET  41  -4.522  -0.772   1.884
  278   1HB   MET  41          1HB       MET  41  -3.964  -3.024   0.798
  279   2HB   MET  41          2HB       MET  41  -2.733  -1.879   1.243
  280   1HG   MET  41          2HG       MET  41  -3.224  -3.902   3.326
  281   2HG   MET  41          1HG       MET  41  -2.604  -4.596   1.822
  282   1HE   MET  41          2HE       MET  41  -1.108  -3.525   0.358
  283   2HE   MET  41          3HE       MET  41  -0.113  -2.133   0.817
  284   3HE   MET  41          1HE       MET  41   0.529  -3.788   1.013
  285    H    LYS  42           HN       LYS  42  -5.829  -3.187   4.146
  286    HA   LYS  42           HA       LYS  42  -8.083  -3.906   2.506
  287   1HB   LYS  42          2HB       LYS  42  -7.441  -5.195   4.476
  288   2HB   LYS  42          1HB       LYS  42  -7.719  -3.800   5.531
  289   1HG   LYS  42          2HG       LYS  42 -10.144  -3.804   4.819
  290   2HG   LYS  42          1HG       LYS  42  -9.843  -5.294   3.928
  291   1HD   LYS  42          1HD       LYS  42  -9.448  -4.827   6.934
  292   2HD   LYS  42          2HD       LYS  42 -10.849  -5.617   6.208
  293   1HE   LYS  42          1HE       LYS  42  -7.978  -6.661   6.134
  294   2HE   LYS  42          2HE       LYS  42  -9.291  -7.266   7.148
  295   1HZ   LYS  42          1HZ       LYS  42 -10.488  -7.866   5.173
  296   2HZ   LYS  42          2HZ       LYS  42  -9.258  -7.321   4.218
  297   3HZ   LYS  42          3HZ       LYS  42  -9.013  -8.606   5.218
  298    H    GLY  43           H        GLY  43  -7.521  -1.436   5.049
  299   1HA   GLY  43          2HA       GLY  43  -9.929  -0.082   5.119
  300   2HA   GLY  43          1HA       GLY  43  -8.332   0.647   5.353
  301    H    TYR  44           H        TYR  44  -7.123   0.568   2.997
  302    HA   TYR  44           HA       TYR  44  -8.309   2.654   1.460
  303   1HB   TYR  44          1HB       TYR  44  -6.082   0.700   0.851
  304   2HB   TYR  44          2HB       TYR  44  -6.502   2.062  -0.188
  305    HD1  TYR  44           HD1      TYR  44  -6.778   4.347   1.649
  306    HD2  TYR  44           HD2      TYR  44  -3.831   1.224   1.310
  307    HE1  TYR  44           HE1      TYR  44  -5.049   5.851   2.596
  308    HE2  TYR  44           HE2      TYR  44  -2.111   2.759   2.180
  309    HH   TYR  44           HH       TYR  44  -1.621   4.886   2.720
  310    H    ALA  45           H        ALA  45  -7.861  -0.838   0.671
  311    HA   ALA  45           HA       ALA  45  -9.073  -0.746  -1.845
  312   1HB   ALA  45          3HB       ALA  45  -7.744  -2.645  -1.046
  313   2HB   ALA  45          2HB       ALA  45  -8.996  -3.049   0.152
  314   3HB   ALA  45          1HB       ALA  45  -9.342  -3.194  -1.585
  315    H    ASP  46           HN       ASP  46 -10.575  -1.344   1.344
  316    HA   ASP  46           HA       ASP  46 -13.253  -1.699   0.314
  317   1HB   ASP  46          2HB       ASP  46 -12.639  -2.553   2.501
  318   2HB   ASP  46          1HB       ASP  46 -12.160  -0.942   3.054
  319    H    GLY  47           H        GLY  47 -11.399   1.066   1.630
  320   1HA   GLY  47          1HA       GLY  47 -11.622   3.259   0.749
  321   2HA   GLY  47          2HA       GLY  47 -13.345   3.002   0.448
  322    H    SER  48           H        SER  48 -12.066   1.738   3.476
  323    HA   SER  48           HA       SER  48 -13.671   3.627   5.040
  324   1HB   SER  48          2HB       SER  48 -12.127   1.982   6.722
  325   2HB   SER  48          1HB       SER  48 -13.819   1.736   6.267
  326    HG   SER  48           HG       SER  48 -13.198   0.393   4.646
  327    H    TYR  49           H        TYR  49 -10.297   2.769   4.338
  328    HA   TYR  49           HA       TYR  49  -9.329   5.082   5.963
  329   1HB   TYR  49          2HB       TYR  49  -8.189   2.791   6.318
  330   2HB   TYR  49          1HB       TYR  49  -7.733   2.870   4.621
  331    HD1  TYR  49           HD2      TYR  49  -7.640   5.500   7.349
  332    HD2  TYR  49           HD1      TYR  49  -5.395   3.018   4.625
  333    HE1  TYR  49           HE2      TYR  49  -5.576   6.708   7.941
  334    HE2  TYR  49           HE1      TYR  49  -3.325   4.213   5.261
  335    HH   TYR  49           HH       TYR  49  -2.366   5.738   6.801
  336    H    GLY  50           H        GLY  50  -8.611   6.909   4.785
  337   1HA   GLY  50          2HA       GLY  50  -7.196   7.214   2.649
  338   2HA   GLY  50          1HA       GLY  50  -8.683   6.737   1.815
  339    H    GLY  51           H        GLY  51  -8.513   8.932   0.860
  340   1HA   GLY  51          2HA       GLY  51 -10.225  10.721   1.024
  341   2HA   GLY  51          1HA       GLY  51  -9.627  11.082   2.647
  342    H    GLU  52           HN       GLU  52  -9.741  12.709   0.170
  343    HA   GLU  52           HA       GLU  52  -8.563  14.112  -1.115
  344   1HB   GLU  52          1HB       GLU  52  -6.940  14.430   1.455
  345   2HB   GLU  52          2HB       GLU  52  -7.139  15.619   0.151
  346   1HG   GLU  52          1HG       GLU  52  -9.256  14.563   2.081
  347   2HG   GLU  52          2HG       GLU  52  -8.584  16.191   2.007
  348    H    ARG  53           HN       ARG  53  -5.521  13.461   0.527
  349    HA   ARG  53           HA       ARG  53  -4.162  13.110  -1.972
  350   1HB   ARG  53          2HB       ARG  53  -2.201  12.832  -0.655
  351   2HB   ARG  53          1HB       ARG  53  -3.198  14.027   0.169
  352   1HG   ARG  53          2HG       ARG  53  -4.057  11.987   1.596
  353   2HG   ARG  53          1HG       ARG  53  -2.640  11.152   0.916
  354   1HD   ARG  53          2HD       ARG  53  -2.588  13.698   2.580
  355   2HD   ARG  53          1HD       ARG  53  -2.245  12.049   3.133
  356    HE   ARG  53           HE       ARG  53  -0.628  13.043   0.870
  357   1HH1  ARG  53          2HH2      ARG  53  -0.748  12.509   4.414
  358   2HH1  ARG  53          1HH2      ARG  53   0.985  12.740   4.569
  359   1HH2  ARG  53          2HH1      ARG  53   1.634  13.487   1.243
  360   2HH2  ARG  53          1HH1      ARG  53   2.259  13.225   2.854
  361    H    LYS  54           HN       LYS  54  -5.541  10.917   0.451
  362    HA   LYS  54           HA       LYS  54  -4.473   8.477  -0.827
  363   1HB   LYS  54          2HB       LYS  54  -6.263   9.032   1.547
  364   2HB   LYS  54          1HB       LYS  54  -5.842   7.399   0.960
  365   1HG   LYS  54          2HG       LYS  54  -3.679   7.548   1.667
  366   2HG   LYS  54          1HG       LYS  54  -3.580   9.277   1.416
  367   1HD   LYS  54          1HD       LYS  54  -4.842   9.739   3.463
  368   2HD   LYS  54          2HD       LYS  54  -5.195   8.014   3.691
  369   1HE   LYS  54          1HE       LYS  54  -2.843   7.503   3.998
  370   2HE   LYS  54          2HE       LYS  54  -2.384   9.197   3.699
  371   1HZ   LYS  54          3HZ       LYS  54  -3.628   9.760   5.684
  372   2HZ   LYS  54          2HZ       LYS  54  -3.986   8.166   5.936
  373   3HZ   LYS  54          1HZ       LYS  54  -2.427   8.671   6.004
  374    H    ALA  55           H        ALA  55  -5.405   9.179  -2.792
  375    HA   ALA  55           HA       ALA  55  -8.223   8.163  -3.138
  376   1HB   ALA  55          1HB       ALA  55  -6.979  10.592  -4.502
  377   2HB   ALA  55          3HB       ALA  55  -8.563   9.883  -4.897
  378   3HB   ALA  55          2HB       ALA  55  -8.281  10.594  -3.296
  379    H    MET  56           H        MET  56  -5.466   9.089  -5.282
  380    HA   MET  56           HA       MET  56  -6.088   7.267  -7.315
  381   1HB   MET  56          2HB       MET  56  -4.461   9.084  -7.573
  382   2HB   MET  56          1HB       MET  56  -3.371   8.335  -6.402
  383   1HG   MET  56          2HG       MET  56  -2.651   7.960  -8.734
  384   2HG   MET  56          1HG       MET  56  -2.953   6.456  -7.876
  385   1HE   MET  56          2HE       MET  56  -4.165   8.958 -10.572
  386   2HE   MET  56          1HE       MET  56  -5.596   8.154 -11.257
  387   3HE   MET  56          3HE       MET  56  -5.674   8.857  -9.627
  388    H    MET  57           H        MET  57  -3.784   6.893  -4.643
  389    HA   MET  57           HA       MET  57  -3.013   4.225  -4.912
  390   1HB   MET  57          2HB       MET  57  -1.963   5.677  -3.319
  391   2HB   MET  57          1HB       MET  57  -3.505   6.008  -2.508
  392   1HG   MET  57          2HG       MET  57  -3.619   3.753  -1.620
  393   2HG   MET  57          1HG       MET  57  -2.219   3.245  -2.574
  394   1HE   MET  57          1HE       MET  57  -3.317   6.100  -0.116
  395   2HE   MET  57          3HE       MET  57  -1.812   6.432   0.772
  396   3HE   MET  57          2HE       MET  57  -1.936   6.873  -0.937
  397    H    THR  58           H        THR  58  -5.818   5.559  -3.002
  398    HA   THR  58           HA       THR  58  -6.839   3.231  -2.030
  399    HB   THR  58           HB       THR  58  -8.541   5.546  -3.015
  400    HG1  THR  58           HG1      THR  58  -7.755   6.630  -1.158
  401   1HG2  THR  58          1HG2      THR  58  -9.684   3.688  -1.809
  402   2HG2  THR  58          3HG2      THR  58  -8.584   3.950  -0.434
  403   3HG2  THR  58          2HG2      THR  58  -9.725   5.217  -0.910
  404    H    ASN  59           H        ASN  59  -7.705   4.804  -5.174
  405    HA   ASN  59           HA       ASN  59  -9.478   2.670  -5.900
  406   1HB   ASN  59          2HB       ASN  59  -9.329   5.041  -6.896
  407   2HB   ASN  59          1HB       ASN  59  -8.063   4.395  -7.945
  408   1HD2  ASN  59          1HD2      ASN  59 -10.953   1.997  -9.064
  409   2HD2  ASN  59          2HD2      ASN  59  -9.581   1.577  -8.057
  410    H    ALA  60           H        ALA  60  -5.955   3.199  -6.436
  411    HA   ALA  60           HA       ALA  60  -5.599   1.105  -8.332
  412   1HB   ALA  60          1HB       ALA  60  -3.893   2.825  -7.863
  413   2HB   ALA  60          3HB       ALA  60  -3.604   2.117  -6.261
  414   3HB   ALA  60          2HB       ALA  60  -3.244   1.180  -7.719
  415    H    VAL  61           H        VAL  61  -5.152   1.057  -4.739
  416    HA   VAL  61           HA       VAL  61  -4.740  -1.788  -4.728
  417    HB   VAL  61           HB       VAL  61  -4.823  -1.693  -2.347
  418   1HG1  VAL  61          1HG2      VAL  61  -2.803  -0.896  -3.552
  419   2HG1  VAL  61          3HG2      VAL  61  -3.385   0.775  -3.427
  420   3HG1  VAL  61          2HG2      VAL  61  -3.005  -0.135  -1.958
  421   1HG2  VAL  61          2HG1      VAL  61  -5.811   1.169  -2.626
  422   2HG2  VAL  61          1HG1      VAL  61  -6.696  -0.193  -1.919
  423   3HG2  VAL  61          3HG1      VAL  61  -5.209   0.407  -1.151
  424    H    LYS  62           HN       LYS  62  -7.734   0.150  -4.734
  425    HA   LYS  62           HA       LYS  62  -9.468  -1.885  -3.760
  426   1HB   LYS  62          2HB       LYS  62 -10.108   0.459  -4.080
  427   2HB   LYS  62          1HB       LYS  62  -9.973   0.277  -5.837
  428   1HG   LYS  62          2HG       LYS  62 -11.781  -1.363  -5.853
  429   2HG   LYS  62          1HG       LYS  62 -11.937  -1.269  -4.100
  430   1HD   LYS  62          1HD       LYS  62 -12.268   1.105  -6.004
  431   2HD   LYS  62          2HD       LYS  62 -13.612   0.082  -5.496
  432   1HE   LYS  62          2HE       LYS  62 -11.891   1.707  -3.558
  433   2HE   LYS  62          1HE       LYS  62 -13.451   2.214  -4.215
  434   1HZ   LYS  62          2HZ       LYS  62 -14.441   0.281  -3.208
  435   2HZ   LYS  62          3HZ       LYS  62 -12.986  -0.159  -2.566
  436   3HZ   LYS  62          1HZ       LYS  62 -13.708   1.228  -2.077
  437    H    LYS  63           HN       LYS  63  -7.636  -1.636  -6.791
  438    HA   LYS  63           HA       LYS  63  -9.316  -3.525  -8.171
  439   1HB   LYS  63          2HB       LYS  63  -6.417  -2.892  -8.787
  440   2HB   LYS  63          1HB       LYS  63  -7.643  -3.579  -9.850
  441   1HG   LYS  63          1HG       LYS  63  -7.338  -0.719  -8.923
  442   2HG   LYS  63          2HG       LYS  63  -7.405  -1.381 -10.547
  443   1HD   LYS  63          2HD       LYS  63  -9.894  -2.071  -9.806
  444   2HD   LYS  63          1HD       LYS  63  -9.627  -0.845  -8.559
  445   1HE   LYS  63          2HE       LYS  63 -10.725   0.216 -10.432
  446   2HE   LYS  63          1HE       LYS  63  -9.046   0.799 -10.409
  447   1HZ   LYS  63          1HZ       LYS  63 -10.114  -1.336 -12.127
  448   2HZ   LYS  63          2HZ       LYS  63  -9.800   0.211 -12.597
  449   3HZ   LYS  63          3HZ       LYS  63  -8.564  -0.777 -12.143
  450    H    ALA  64           H        ALA  64  -6.842  -3.822  -5.706
  451    HA   ALA  64           HA       ALA  64  -5.828  -6.430  -6.538
  452   1HB   ALA  64          3HB       ALA  64  -4.374  -4.729  -5.493
  453   2HB   ALA  64          1HB       ALA  64  -5.351  -4.807  -4.013
  454   3HB   ALA  64          2HB       ALA  64  -4.438  -6.222  -4.541
  455    H    SER  65           H        SER  65  -6.516  -8.374  -5.813
  456    HA   SER  65           HA       SER  65  -9.017  -8.612  -4.453
  457   1HB   SER  65          1HB       SER  65  -7.265 -11.002  -4.814
  458   2HB   SER  65          2HB       SER  65  -8.925 -10.714  -5.349
  459    HG   SER  65           HG       SER  65  -8.070  -9.448  -7.055
  460    H    ASP  66           HN       ASP  66  -9.258 -10.144  -2.507
  461    HA   ASP  66           HA       ASP  66  -7.933  -9.175  -0.277
  462   1HB   ASP  66          2HB       ASP  66  -8.906 -10.944   0.975
  463   2HB   ASP  66          1HB       ASP  66 -10.066 -10.508  -0.281
  464    H    GLU  67           HN       GLU  67  -7.077 -12.144  -2.072
  465    HA   GLU  67           HA       GLU  67  -4.910 -12.884  -0.419
  466   1HB   GLU  67          2HB       GLU  67  -5.988 -14.339  -2.153
  467   2HB   GLU  67          1HB       GLU  67  -5.223 -13.361  -3.421
  468   1HG   GLU  67          1HG       GLU  67  -3.972 -15.447  -2.974
  469   2HG   GLU  67          2HG       GLU  67  -2.987 -14.025  -2.617
  470    H    GLU  68           HN       GLU  68  -5.056 -10.786  -3.233
  471    HA   GLU  68           HA       GLU  68  -2.268 -10.283  -3.560
  472   1HB   GLU  68          1HB       GLU  68  -4.586  -8.442  -4.163
  473   2HB   GLU  68          2HB       GLU  68  -3.030  -8.357  -4.900
  474   1HG   GLU  68          2HG       GLU  68  -4.931 -10.729  -5.282
  475   2HG   GLU  68          1HG       GLU  68  -4.813  -9.329  -6.348
  476    H    LEU  69           H        LEU  69  -4.885  -8.563  -1.746
  477    HA   LEU  69           HA       LEU  69  -3.261  -6.488  -0.706
  478   1HB   LEU  69          1HB       LEU  69  -5.750  -7.784   0.466
  479   2HB   LEU  69          2HB       LEU  69  -5.042  -6.276   1.047
  480    HG   LEU  69           HG       LEU  69  -6.040  -6.636  -1.815
  481   1HD1  LEU  69          2HD2      LEU  69  -7.907  -6.939  -0.196
  482   2HD1  LEU  69          3HD2      LEU  69  -7.476  -5.401   0.573
  483   3HD1  LEU  69          1HD2      LEU  69  -8.054  -5.434  -1.108
  484   1HD2  LEU  69          1HD1      LEU  69  -4.434  -4.737  -1.450
  485   2HD2  LEU  69          3HD1      LEU  69  -6.069  -4.212  -1.875
  486   3HD2  LEU  69          2HD1      LEU  69  -5.541  -4.125  -0.194
  487    H    LYS  70           HN       LYS  70  -4.137  -9.659   0.806
  488    HA   LYS  70           HA       LYS  70  -2.640  -9.308   3.208
  489   1HB   LYS  70          2HB       LYS  70  -3.348 -11.776   1.565
  490   2HB   LYS  70          1HB       LYS  70  -2.454 -11.864   3.091
  491   1HG   LYS  70          1HG       LYS  70  -4.274 -10.690   4.255
  492   2HG   LYS  70          2HG       LYS  70  -5.248 -10.710   2.772
  493   1HD   LYS  70          1HD       LYS  70  -4.172 -13.141   4.296
  494   2HD   LYS  70          2HD       LYS  70  -5.823 -12.528   4.411
  495   1HE   LYS  70          1HE       LYS  70  -4.523 -13.674   1.891
  496   2HE   LYS  70          2HE       LYS  70  -5.695 -14.487   2.929
  497   1HZ   LYS  70          1HZ       LYS  70  -7.282 -12.784   2.402
  498   2HZ   LYS  70          3HZ       LYS  70  -6.192 -12.033   1.413
  499   3HZ   LYS  70          2HZ       LYS  70  -6.750 -13.539   1.039
  500    H    ALA  71           H        ALA  71  -1.707 -10.722   0.052
  501    HA   ALA  71           HA       ALA  71   0.966 -11.254   0.848
  502   1HB   ALA  71          2HB       ALA  71  -0.190 -12.398  -1.001
  503   2HB   ALA  71          3HB       ALA  71  -0.249 -10.879  -1.918
  504   3HB   ALA  71          1HB       ALA  71   1.323 -11.646  -1.554
  505    H    LEU  72           H        LEU  72  -0.516  -8.248  -0.422
  506    HA   LEU  72           HA       LEU  72   2.004  -7.097  -1.192
  507   1HB   LEU  72          1HB       LEU  72  -0.452  -6.551  -1.815
  508   2HB   LEU  72          2HB       LEU  72  -0.545  -5.617  -0.365
  509    HG   LEU  72           HG       LEU  72   0.732  -3.892  -1.261
  510   1HD1  LEU  72          1HD1      LEU  72   2.123  -5.809  -3.134
  511   2HD1  LEU  72          2HD1      LEU  72   2.377  -4.059  -3.064
  512   3HD1  LEU  72          3HD1      LEU  72   2.835  -5.057  -1.682
  513   1HD2  LEU  72          1HD2      LEU  72  -0.388  -5.334  -3.702
  514   2HD2  LEU  72          2HD2      LEU  72  -1.231  -4.149  -2.685
  515   3HD2  LEU  72          3HD2      LEU  72   0.147  -3.654  -3.697
  516    H    ALA  73           H        ALA  73  -0.180  -6.809   1.555
  517    HA   ALA  73           HA       ALA  73   1.407  -5.276   3.296
  518   1HB   ALA  73          1HB       ALA  73  -0.908  -5.973   3.776
  519   2HB   ALA  73          3HB       ALA  73  -0.390  -7.645   4.026
  520   3HB   ALA  73          2HB       ALA  73   0.179  -6.382   5.122
  521    H    ASP  74           HN       ASP  74   1.359  -8.899   3.076
  522    HA   ASP  74           HA       ASP  74   3.485  -9.390   4.813
  523   1HB   ASP  74          2HB       ASP  74   2.045 -11.161   3.949
  524   2HB   ASP  74          1HB       ASP  74   2.662 -10.898   2.307
  525    H    TYR  75           H        TYR  75   3.677  -8.872   1.215
  526    HA   TYR  75           HA       TYR  75   6.426  -9.253   0.935
  527   1HB   TYR  75          2HB       TYR  75   4.811  -9.064  -0.908
  528   2HB   TYR  75          1HB       TYR  75   4.570  -7.356  -0.565
  529    HD1  TYR  75           HD2      TYR  75   6.391  -5.699  -1.047
  530    HD2  TYR  75           HD1      TYR  75   6.764  -9.869  -2.090
  531    HE1  TYR  75           HE2      TYR  75   8.369  -5.179  -2.427
  532    HE2  TYR  75           HE1      TYR  75   8.689  -9.320  -3.557
  533    HH   TYR  75           HH       TYR  75   9.987  -6.006  -3.844
  534    H    MET  76           H        MET  76   4.697  -6.048   1.459
  535    HA   MET  76           HA       MET  76   7.102  -4.569   1.691
  536   1HB   MET  76          2HB       MET  76   4.139  -4.235   2.332
  537   2HB   MET  76          1HB       MET  76   5.321  -3.055   2.820
  538   1HG   MET  76          1HG       MET  76   6.171  -3.114   0.355
  539   2HG   MET  76          2HG       MET  76   4.663  -3.948  -0.003
  540   1HE   MET  76          1HE       MET  76   2.382  -2.785   0.017
  541   2HE   MET  76          3HE       MET  76   2.555  -2.438   1.761
  542   3HE   MET  76          2HE       MET  76   2.078  -1.140   0.634
  543    H    SER  77           H        SER  77   5.181  -6.408   4.111
  544    HA   SER  77           HA       SER  77   6.662  -5.364   6.329
  545   1HB   SER  77          1HB       SER  77   4.496  -6.687   6.374
  546   2HB   SER  77          2HB       SER  77   5.478  -8.148   6.164
  547    HG   SER  77           HG       SER  77   6.697  -7.368   8.028
  548    H    LYS  78           HN       LYS  78   8.141  -6.931   3.740
  549    HA   LYS  78           HA       LYS  78  10.349  -7.905   5.436
  550   1HB   LYS  78          2HB       LYS  78   9.029  -9.415   3.135
  551   2HB   LYS  78          1HB       LYS  78  10.519  -9.889   3.969
  552   1HG   LYS  78          2HG       LYS  78   9.209 -10.076   6.109
  553   2HG   LYS  78          1HG       LYS  78   7.727  -9.750   5.200
  554   1HD   LYS  78          1HD       LYS  78   9.583 -12.129   4.752
  555   2HD   LYS  78          2HD       LYS  78   8.021 -12.143   5.592
  556   1HE   LYS  78          2HE       LYS  78   6.964 -11.259   3.443
  557   2HE   LYS  78          1HE       LYS  78   8.508 -11.579   2.631
  558   1HZ   LYS  78          2HZ       LYS  78   6.860 -13.564   4.026
  559   2HZ   LYS  78          3HZ       LYS  78   6.974 -13.374   2.397
  560   3HZ   LYS  78          1HZ       LYS  78   8.291 -13.870   3.260
  561    H    LEU  79           H        LEU  79  10.215  -5.353   4.355
  562    HA   LEU  79           HA       LEU  79  11.936  -5.388   2.013
  563   1HB   LEU  79          2HB       LEU  79   9.469  -5.367   1.344
  564   2HB   LEU  79          1HB       LEU  79   9.270  -3.987   2.451
  565    HG   LEU  79           HG       LEU  79  10.792  -2.696   1.212
  566   1HD1  LEU  79          3HD1      LEU  79  10.672  -5.035  -0.769
  567   2HD1  LEU  79          1HD1      LEU  79  11.279  -3.427  -1.221
  568   3HD1  LEU  79          2HD1      LEU  79  12.132  -4.382   0.005
  569   1HD2  LEU  79          1HD2      LEU  79   8.391  -2.494   0.889
  570   2HD2  LEU  79          3HD2      LEU  79   9.191  -2.239  -0.673
  571   3HD2  LEU  79          2HD2      LEU  79   8.408  -3.799  -0.323
  572    HHA  HEC   1           HHA      HEM   1   1.555   5.007   3.511
  573    HHB  HEC   1           HHB      HEM   1  -0.189  -0.167   0.247
  574    HHC  HEC   1           HHC      HEM   1   0.851   3.160  -5.134
  575    HHD  HEC   1           HHD      HEM   1   1.058   8.567  -1.631
  576   1HMA  HEC   1          1HMA      HEM   1  -0.267   0.042   4.047
  577   2HMA  HEC   1          2HMA      HEM   1  -1.075  -0.266   2.513
  578   3HMA  HEC   1          3HMA      HEM   1   0.634  -0.727   2.725
  579   1HAA  HEC   1          1HAA      HEM   1   0.863   1.655   5.117
  580   2HAA  HEC   1          2HAA      HEM   1   1.726   3.160   4.849
  581   1HBA  HEC   1          1HBA      HEM   1  -1.288   2.815   5.079
  582   2HBA  HEC   1          2HBA      HEM   1  -0.515   4.348   4.692
  583   1HMB  HEC   1          1HMB      HEM   1  -1.020  -1.358  -1.483
  584   2HMB  HEC   1          2HMB      HEM   1  -0.637  -1.632  -3.177
  585   3HMB  HEC   1          3HMB      HEM   1   0.665  -1.665  -1.974
  586    HAB  HEC   1           HAB      HEM   1  -0.530  -0.414  -4.993
  587   1HBB  HEC   1          1HBB      HEM   1  -1.009   1.793  -6.000
  588   2HBB  HEC   1          2HBB      HEM   1  -0.509   0.422  -6.997
  589   3HBB  HEC   1          3HBB      HEM   1   0.630   1.696  -6.685
  590   1HMC  HEC   1          1HMC      HEM   1   0.113   5.031  -6.424
  591   2HMC  HEC   1          2HMC      HEM   1   1.880   5.144  -6.496
  592   3HMC  HEC   1          3HMC      HEM   1   0.861   6.588  -6.699
  593    HAC  HEC   1           HAC      HEM   1   1.757   9.023  -3.607
  594   1HBC  HEC   1          1HBC      HEM   1   0.197   8.799  -5.622
  595   2HBC  HEC   1          2HBC      HEM   1   1.493  10.012  -5.615
  596   3HBC  HEC   1          3HBC      HEM   1   1.711   8.536  -6.538
  597   1HMD  HEC   1          1HMD      HEM   1   1.372   9.942   0.449
  598   2HMD  HEC   1          2HMD      HEM   1   0.385   9.961   1.907
  599   3HMD  HEC   1          3HMD      HEM   1  -0.386   9.702   0.334
  600   1HAD  HEC   1          1HAD      HEM   1   0.056   8.640   3.617
  601   2HAD  HEC   1          2HAD      HEM   1  -0.715   7.088   3.713
  602   1HBD  HEC   1          1HBD      HEM   1   2.167   7.253   4.627
  603   2HBD  HEC   1          2HBD      HEM   1   0.901   6.141   5.105
   
  No H/Q in entry =         603
  Start of MODEL   12
    1   1H    ALA   1          2H        ALA   1   3.055 -11.793  -9.888
    2   2H    ALA   1          1H        ALA   1   4.347 -12.036  -8.928
    3   3H    ALA   1          3H        ALA   1   3.991 -13.152 -10.106
    4    HA   ALA   1           HA       ALA   1   1.956 -13.713  -9.000
    5   1HB   ALA   1          1HB       ALA   1   4.022 -14.928  -8.315
    6   2HB   ALA   1          3HB       ALA   1   4.304 -13.713  -7.048
    7   3HB   ALA   1          2HB       ALA   1   2.878 -14.766  -6.975
    8    H    ASP   2           HN       ASP   2   1.015 -13.583  -6.567
    9    HA   ASP   2           HA       ASP   2  -0.190 -11.125  -6.227
   10   1HB   ASP   2          2HB       ASP   2   0.459 -13.210  -4.092
   11   2HB   ASP   2          1HB       ASP   2  -0.745 -11.925  -3.948
   12    H    GLY   3           H        GLY   3   0.150  -9.340  -4.893
   13   1HA   GLY   3          2HA       GLY   3   1.234  -7.801  -3.634
   14   2HA   GLY   3          1HA       GLY   3   2.428  -9.009  -3.132
   15    H    ALA   4           H        ALA   4   3.715  -9.785  -5.189
   16    HA   ALA   4           HA       ALA   4   5.497  -7.694  -5.869
   17   1HB   ALA   4          3HB       ALA   4   6.143 -10.066  -5.884
   18   2HB   ALA   4          2HB       ALA   4   5.078 -10.370  -7.274
   19   3HB   ALA   4          1HB       ALA   4   6.497  -9.313  -7.453
   20    H    ALA   5           H        ALA   5   2.941  -9.199  -7.902
   21    HA   ALA   5           HA       ALA   5   3.407  -7.607 -10.211
   22   1HB   ALA   5          3HB       ALA   5   0.833  -8.889  -9.198
   23   2HB   ALA   5          2HB       ALA   5   1.090  -8.243 -10.833
   24   3HB   ALA   5          1HB       ALA   5   2.042  -9.629 -10.269
   25    H    LEU   6           H        LEU   6   1.205  -7.078  -7.433
   26    HA   LEU   6           HA       LEU   6  -0.079  -4.726  -8.350
   27   1HB   LEU   6          1HB       LEU   6   0.484  -5.837  -5.578
   28   2HB   LEU   6          2HB       LEU   6  -0.418  -4.352  -5.879
   29    HG   LEU   6           HG       LEU   6  -2.036  -5.583  -7.261
   30   1HD1  LEU   6          2HD2      LEU   6  -0.485  -8.056  -6.420
   31   2HD1  LEU   6          1HD2      LEU   6  -2.173  -8.095  -6.966
   32   3HD1  LEU   6          3HD2      LEU   6  -0.921  -7.539  -8.069
   33   1HD2  LEU   6          3HD1      LEU   6  -2.319  -5.148  -4.798
   34   2HD2  LEU   6          2HD1      LEU   6  -3.185  -6.571  -5.377
   35   3HD2  LEU   6          1HD1      LEU   6  -1.657  -6.766  -4.472
   36    H    TYR   7           H        TYR   7   2.845  -5.230  -6.345
   37    HA   TYR   7           HA       TYR   7   3.201  -2.579  -5.654
   38   1HB   TYR   7          1HB       TYR   7   4.283  -4.621  -4.659
   39   2HB   TYR   7          2HB       TYR   7   5.437  -4.591  -5.996
   40    HD1  TYR   7           HD1      TYR   7   3.917  -2.180  -3.495
   41    HD2  TYR   7           HD2      TYR   7   7.523  -3.614  -5.383
   42    HE1  TYR   7           HE1      TYR   7   5.229  -0.432  -2.331
   43    HE2  TYR   7           HE2      TYR   7   8.837  -1.957  -4.106
   44    HH   TYR   7           HH       TYR   7   8.712  -0.064  -2.750
   45    H    LYS   8           HN       LYS   8   4.031  -3.979  -8.850
   46    HA   LYS   8           HA       LYS   8   6.137  -2.496  -9.671
   47   1HB   LYS   8          1HB       LYS   8   3.557  -3.366 -11.057
   48   2HB   LYS   8          2HB       LYS   8   5.014  -2.838 -11.861
   49   1HG   LYS   8          1HG       LYS   8   4.847  -5.307 -10.103
   50   2HG   LYS   8          2HG       LYS   8   4.759  -5.268 -11.860
   51   1HD   LYS   8          2HD       LYS   8   7.078  -4.305 -11.937
   52   2HD   LYS   8          1HD       LYS   8   7.148  -4.382 -10.167
   53   1HE   LYS   8          1HE       LYS   8   8.304  -6.296 -11.067
   54   2HE   LYS   8          2HE       LYS   8   6.841  -6.831 -10.222
   55   1HZ   LYS   8          1HZ       LYS   8   7.112  -6.500 -13.133
   56   2HZ   LYS   8          2HZ       LYS   8   7.158  -7.933 -12.322
   57   3HZ   LYS   8          3HZ       LYS   8   5.772  -7.046 -12.345
   58    H    SER   9           H        SER   9   2.678  -1.469  -9.973
   59    HA   SER   9           HA       SER   9   3.281   1.114 -11.019
   60   1HB   SER   9          1HB       SER   9   0.874   0.175  -9.377
   61   2HB   SER   9          2HB       SER   9   0.909   1.521 -10.528
   62    HG   SER   9           HG       SER   9   1.451  -0.096 -12.149
   63    H    CYS  10           H        CYS  10   2.986  -0.173  -7.797
   64    HA   CYS  10           HA       CYS  10   2.338   2.130  -6.261
   65   1HB   CYS  10          1HB       CYS  10   2.149  -0.471  -5.976
   66   2HB   CYS  10          2HB       CYS  10   3.769  -0.311  -5.248
   67    H    ILE  11           H        ILE  11   5.328   0.433  -7.157
   68    HA   ILE  11           HA       ILE  11   7.217   1.707  -5.644
   69    HB   ILE  11           HB       ILE  11   7.285   0.819  -8.532
   70   1HG1  ILE  11          1HG1      ILE  11   8.682  -0.321  -6.066
   71   2HG1  ILE  11          2HG1      ILE  11   7.072  -0.823  -6.574
   72   1HG2  ILE  11          3HG2      ILE  11   9.668   1.811  -6.918
   73   2HG2  ILE  11          2HG2      ILE  11   9.784   0.941  -8.457
   74   3HG2  ILE  11          1HG2      ILE  11   9.036   2.522  -8.419
   75   1HD1  ILE  11          1HD1      ILE  11   8.061  -1.484  -8.814
   76   2HD1  ILE  11          2HD1      ILE  11   9.668  -1.239  -8.094
   77   3HD1  ILE  11          3HD1      ILE  11   8.577  -2.454  -7.420
   78    H    GLY  12           H        GLY  12   5.431   3.057  -8.432
   79   1HA   GLY  12          1HA       GLY  12   6.985   5.268  -9.092
   80   2HA   GLY  12          2HA       GLY  12   5.217   5.193  -9.158
   81    H    CYS  13           H        CYS  13   4.862   4.821  -6.205
   82    HA   CYS  13           HA       CYS  13   5.393   7.685  -5.451
   83   1HB   CYS  13          1HB       CYS  13   3.024   6.751  -5.845
   84   2HB   CYS  13          2HB       CYS  13   3.273   5.963  -4.259
   85    H    HIS  14           HN       HIS  14   5.626   4.282  -4.390
   86    HA   HIS  14           HA       HIS  14   6.544   5.074  -1.713
   87   1HB   HIS  14          1HB       HIS  14   5.693   2.542  -3.151
   88   2HB   HIS  14          2HB       HIS  14   6.562   2.471  -1.643
   89    HD1  HIS  14           HD1      HIS  14   5.480   3.889   0.426
   90    HD2  HIS  14           HD2      HIS  14   3.010   3.299  -2.887
   91    HE1  HIS  14           HE1      HIS  14   3.158   4.447   1.157
   92    H    GLY  15           H        GLY  15   7.961   3.857  -4.702
   93   1HA   GLY  15          2HA       GLY  15  10.223   3.878  -5.262
   94   2HA   GLY  15          1HA       GLY  15  10.691   4.061  -3.563
   95    H    ALA  16           H        ALA  16  12.243   2.278  -4.369
   96    HA   ALA  16           HA       ALA  16  11.185  -0.363  -4.815
   97   1HB   ALA  16          2HB       ALA  16  13.956   0.558  -3.925
   98   2HB   ALA  16          1HB       ALA  16  13.520  -1.096  -4.407
   99   3HB   ALA  16          3HB       ALA  16  13.411   0.229  -5.580
  100    H    ASP  17           HN       ASP  17  13.129   0.710  -1.987
  101    HA   ASP  17           HA       ASP  17  11.847  -1.277  -0.255
  102   1HB   ASP  17          1HB       ASP  17  13.542  -0.597   1.340
  103   2HB   ASP  17          2HB       ASP  17  14.262  -1.091  -0.193
  104    H    GLY  18           H        GLY  18   9.996   0.257  -1.000
  105   1HA   GLY  18          1HA       GLY  18   8.517   2.054  -0.650
  106   2HA   GLY  18          2HA       GLY  18   8.290   1.010   0.742
  107    H    SER  19           H        SER  19  10.858   3.517   0.035
  108    HA   SER  19           HA       SER  19  10.221   4.789   2.633
  109   1HB   SER  19          2HB       SER  19  12.766   5.364   2.208
  110   2HB   SER  19          1HB       SER  19  12.276   3.806   2.896
  111    HG   SER  19           HG       SER  19  12.667   2.837   1.027
  112    H    LYS  20           HN       LYS  20  10.235   5.624  -0.797
  113    HA   LYS  20           HA       LYS  20  11.339   8.290  -0.248
  114   1HB   LYS  20          1HB       LYS  20  10.536   8.948  -2.462
  115   2HB   LYS  20          2HB       LYS  20  11.631   7.563  -2.487
  116   1HG   LYS  20          1HG       LYS  20   9.973   6.061  -2.959
  117   2HG   LYS  20          2HG       LYS  20   8.631   7.116  -2.485
  118   1HD   LYS  20          2HD       LYS  20  10.426   7.536  -4.928
  119   2HD   LYS  20          1HD       LYS  20   8.858   6.711  -4.946
  120   1HE   LYS  20          2HE       LYS  20   7.808   8.828  -3.997
  121   2HE   LYS  20          1HE       LYS  20   9.347   9.646  -4.280
  122   1HZ   LYS  20          2HZ       LYS  20   7.713   8.311  -6.334
  123   2HZ   LYS  20          1HZ       LYS  20   7.832   9.935  -6.083
  124   3HZ   LYS  20          3HZ       LYS  20   9.147   9.083  -6.593
  125    H    ALA  21           H        ALA  21  10.195  10.276  -0.206
  126    HA   ALA  21           HA       ALA  21   7.760  10.262   1.317
  127   1HB   ALA  21          2HB       ALA  21   9.038  12.477  -0.352
  128   2HB   ALA  21          1HB       ALA  21   7.739  12.686   0.842
  129   3HB   ALA  21          3HB       ALA  21   9.348  12.150   1.370
  130    H    ALA  22           H        ALA  22   5.702  10.069   0.587
  131    HA   ALA  22           HA       ALA  22   5.209   9.594  -2.279
  132   1HB   ALA  22          2HB       ALA  22   3.464   9.352   0.209
  133   2HB   ALA  22          1HB       ALA  22   3.005   8.853  -1.427
  134   3HB   ALA  22          3HB       ALA  22   4.336   8.041  -0.616
  135    H    MET  23           H        MET  23   2.325  10.734  -1.532
  136    HA   MET  23           HA       MET  23   2.781  13.388  -2.670
  137   1HB   MET  23          2HB       MET  23   0.336  11.931  -1.609
  138   2HB   MET  23          1HB       MET  23   0.287  13.589  -2.243
  139   1HG   MET  23          2HG       MET  23   1.073  12.847  -4.422
  140   2HG   MET  23          1HG       MET  23   1.332  11.216  -3.815
  141   1HE   MET  23          3HE       MET  23  -1.662  13.854  -3.648
  142   2HE   MET  23          2HE       MET  23  -1.127  13.740  -5.344
  143   3HE   MET  23          1HE       MET  23  -2.723  13.117  -4.870
  144    H    GLY  24           H        GLY  24   4.390  13.782  -0.852
  145   1HA   GLY  24          1HA       GLY  24   4.811  15.424   0.789
  146   2HA   GLY  24          2HA       GLY  24   3.108  15.411   1.284
  147    H    SER  25           H        SER  25   4.414  15.279   3.451
  148    HA   SER  25           HA       SER  25   5.851  13.205   4.386
  149   1HB   SER  25          1HB       SER  25   3.620  14.563   5.943
  150   2HB   SER  25          2HB       SER  25   5.205  14.020   6.537
  151    HG   SER  25           HG       SER  25   5.164  16.293   6.103
  152    H    ALA  26           H        ALA  26   5.497  11.011   4.432
  153    HA   ALA  26           HA       ALA  26   2.837   9.955   5.214
  154   1HB   ALA  26          2HB       ALA  26   4.480   9.201   2.750
  155   2HB   ALA  26          1HB       ALA  26   3.115   8.260   3.369
  156   3HB   ALA  26          3HB       ALA  26   2.853   9.915   2.767
  157    H    LYS  27           HN       LYS  27   3.055   8.052   6.499
  158    HA   LYS  27           HA       LYS  27   5.488   7.515   7.773
  159   1HB   LYS  27          2HB       LYS  27   2.719   6.639   7.791
  160   2HB   LYS  27          1HB       LYS  27   3.706   5.233   7.709
  161   1HG   LYS  27          2HG       LYS  27   3.888   7.509   9.722
  162   2HG   LYS  27          1HG       LYS  27   3.074   5.970   9.986
  163   1HD   LYS  27          1HD       LYS  27   6.087   6.121   9.463
  164   2HD   LYS  27          2HD       LYS  27   5.387   6.356  11.055
  165   1HE   LYS  27          2HE       LYS  27   6.126   4.097  10.906
  166   2HE   LYS  27          1HE       LYS  27   4.358   4.101  10.985
  167   1HZ   LYS  27          3HZ       LYS  27   5.919   3.816   8.498
  168   2HZ   LYS  27          2HZ       LYS  27   5.286   2.573   9.371
  169   3HZ   LYS  27          1HZ       LYS  27   4.286   3.669   8.678
  170    HA   PRO  28           HA       PRO  28   7.229   5.379   4.190
  171   1HB   PRO  28          2HB       PRO  28   9.009   4.233   6.388
  172   2HB   PRO  28          1HB       PRO  28   9.503   4.755   4.755
  173   1HG   PRO  28          1HG       PRO  28   9.910   6.423   6.838
  174   2HG   PRO  28          2HG       PRO  28   9.164   7.080   5.348
  175   1HD   PRO  28          1HD       PRO  28   7.782   6.210   7.896
  176   2HD   PRO  28          2HD       PRO  28   7.539   7.695   6.926
  177    H    VAL  29           H        VAL  29   7.003   3.320   3.299
  178    HA   VAL  29           HA       VAL  29   5.265   1.451   4.796
  179    HB   VAL  29           HB       VAL  29   6.115   1.810   1.919
  180   1HG1  VAL  29          1HG1      VAL  29   4.767  -0.670   3.062
  181   2HG1  VAL  29          2HG1      VAL  29   4.856  -0.209   1.351
  182   3HG1  VAL  29          3HG1      VAL  29   6.337  -0.608   2.222
  183   1HG2  VAL  29          2HG2      VAL  29   4.131   3.025   2.838
  184   2HG2  VAL  29          1HG2      VAL  29   3.635   1.803   1.638
  185   3HG2  VAL  29          3HG2      VAL  29   3.436   1.479   3.362
  186    H    LYS  30           HN       LYS  30   8.555   1.860   3.704
  187    HA   LYS  30           HA       LYS  30   9.729  -0.465   3.616
  188   1HB   LYS  30          2HB       LYS  30  10.821   1.786   3.655
  189   2HB   LYS  30          1HB       LYS  30  10.843   1.704   5.424
  190   1HG   LYS  30          2HG       LYS  30  12.209  -0.374   5.323
  191   2HG   LYS  30          1HG       LYS  30  12.041  -0.419   3.569
  192   1HD   LYS  30          2HD       LYS  30  14.231   0.372   4.112
  193   2HD   LYS  30          1HD       LYS  30  13.318   1.673   3.347
  194   1HE   LYS  30          1HE       LYS  30  12.915   2.721   5.560
  195   2HE   LYS  30          2HE       LYS  30  13.735   1.367   6.362
  196   1HZ   LYS  30          3HZ       LYS  30  14.966   3.224   4.448
  197   2HZ   LYS  30          1HZ       LYS  30  15.164   3.254   6.085
  198   3HZ   LYS  30          2HZ       LYS  30  15.730   1.978   5.207
  199    H    GLY  31           H        GLY  31   9.400  -2.256   4.636
  200   1HA   GLY  31          2HA       GLY  31   8.735  -3.796   6.090
  201   2HA   GLY  31          1HA       GLY  31  10.079  -3.133   7.027
  202    H    GLN  32           H        GLN  32   6.754  -1.675   6.482
  203    HA   GLN  32           HA       GLN  32   6.523  -1.344   9.380
  204   1HB   GLN  32          1HB       GLN  32   3.882  -1.562   8.096
  205   2HB   GLN  32          2HB       GLN  32   4.522  -0.418   9.270
  206   1HG   GLN  32          2HG       GLN  32   5.727   0.648   7.406
  207   2HG   GLN  32          1HG       GLN  32   4.816  -0.507   6.351
  208   1HE2  GLN  32          1HE2      GLN  32   2.979   2.949   6.715
  209   2HE2  GLN  32          2HE2      GLN  32   4.705   2.633   6.591
  210    H    GLY  33           H        GLY  33   4.036  -2.376   9.977
  211   1HA   GLY  33          1HA       GLY  33   4.810  -5.264  10.417
  212   2HA   GLY  33          2HA       GLY  33   3.507  -4.476  11.270
  213    H    ALA  34           H        ALA  34   4.038  -6.697   8.968
  214    HA   ALA  34           HA       ALA  34   2.245  -6.653   7.025
  215   1HB   ALA  34          1HB       ALA  34   3.554  -8.598   7.749
  216   2HB   ALA  34          2HB       ALA  34   2.478  -8.814   9.147
  217   3HB   ALA  34          3HB       ALA  34   1.845  -9.043   7.491
  218    H    GLU  35           HN       GLU  35   1.147  -7.144  10.447
  219    HA   GLU  35           HA       GLU  35  -1.596  -7.413   9.699
  220   1HB   GLU  35          2HB       GLU  35  -0.660  -8.204  11.852
  221   2HB   GLU  35          1HB       GLU  35  -0.411  -6.526  12.367
  222   1HG   GLU  35          1HG       GLU  35  -2.458  -7.494  13.343
  223   2HG   GLU  35          2HG       GLU  35  -2.842  -6.119  12.306
  224    H    GLU  36           HN       GLU  36   0.367  -4.566  10.611
  225    HA   GLU  36           HA       GLU  36  -1.784  -2.660  10.852
  226   1HB   GLU  36          2HB       GLU  36   0.313  -2.101  11.875
  227   2HB   GLU  36          1HB       GLU  36   1.236  -2.551  10.451
  228   1HG   GLU  36          1HG       GLU  36   0.403  -0.680   9.189
  229   2HG   GLU  36          2HG       GLU  36  -0.616  -0.169  10.555
  230    H    LEU  37           H        LEU  37   0.581  -3.577   8.283
  231    HA   LEU  37           HA       LEU  37  -0.287  -1.936   6.238
  232   1HB   LEU  37          2HB       LEU  37   1.191  -4.555   6.656
  233   2HB   LEU  37          1HB       LEU  37   0.767  -4.116   5.057
  234    HG   LEU  37           HG       LEU  37   2.317  -2.237   6.868
  235   1HD1  LEU  37          3HD2      LEU  37   3.405  -4.262   4.869
  236   2HD1  LEU  37          2HD2      LEU  37   4.365  -3.044   5.734
  237   3HD1  LEU  37          1HD2      LEU  37   3.576  -4.343   6.637
  238   1HD2  LEU  37          1HD1      LEU  37   1.951  -2.332   3.854
  239   2HD2  LEU  37          3HD1      LEU  37   1.389  -1.077   4.988
  240   3HD2  LEU  37          2HD1      LEU  37   3.112  -1.288   4.700
  241    H    TYR  38           HN       TYR  38  -1.108  -5.451   6.654
  242    HA   TYR  38           HA       TYR  38  -2.933  -5.908   4.745
  243   1HB   TYR  38          1HB       TYR  38  -2.247  -7.443   6.558
  244   2HB   TYR  38          2HB       TYR  38  -3.204  -6.608   7.701
  245    HD1  TYR  38           HD1      TYR  38  -4.542  -7.368   4.264
  246    HD2  TYR  38           HE2      TYR  38  -4.414  -8.517   8.430
  247    HE1  TYR  38           HD2      TYR  38  -6.541  -8.773   3.948
  248    HE2  TYR  38           HE1      TYR  38  -6.376  -9.969   8.082
  249    HH   TYR  38           HH       TYR  38  -7.911 -10.778   6.568
  250    H    LYS  39           HN       LYS  39  -3.857  -4.775   7.921
  251    HA   LYS  39           HA       LYS  39  -6.548  -4.199   7.434
  252   1HB   LYS  39          2HB       LYS  39  -5.051  -4.255   9.615
  253   2HB   LYS  39          1HB       LYS  39  -4.784  -2.548   9.315
  254   1HG   LYS  39          1HG       LYS  39  -7.439  -3.960   9.849
  255   2HG   LYS  39          2HG       LYS  39  -6.543  -2.880  10.932
  256   1HD   LYS  39          1HD       LYS  39  -6.759  -1.101   9.069
  257   2HD   LYS  39          2HD       LYS  39  -7.916  -2.216   8.308
  258   1HE   LYS  39          1HE       LYS  39  -9.177  -0.581   9.559
  259   2HE   LYS  39          2HE       LYS  39  -9.334  -2.152  10.362
  260   1HZ   LYS  39          1HZ       LYS  39  -7.504   0.011  11.158
  261   2HZ   LYS  39          3HZ       LYS  39  -8.929  -0.362  11.896
  262   3HZ   LYS  39          2HZ       LYS  39  -7.679  -1.432  11.934
  263    H    LYS  40           HN       LYS  40  -3.733  -1.967   7.261
  264    HA   LYS  40           HA       LYS  40  -5.259   0.260   6.363
  265   1HB   LYS  40          2HB       LYS  40  -2.305  -0.397   6.378
  266   2HB   LYS  40          1HB       LYS  40  -2.932   1.101   5.708
  267   1HG   LYS  40          2HG       LYS  40  -4.186   1.501   7.890
  268   2HG   LYS  40          1HG       LYS  40  -3.445   0.034   8.546
  269   1HD   LYS  40          2HD       LYS  40  -1.183   1.095   8.171
  270   2HD   LYS  40          1HD       LYS  40  -2.055   2.551   7.629
  271   1HE   LYS  40          2HE       LYS  40  -3.114   2.833   9.789
  272   2HE   LYS  40          1HE       LYS  40  -2.353   1.358  10.405
  273   1HZ   LYS  40          1HZ       LYS  40  -0.901   3.722   9.429
  274   2HZ   LYS  40          2HZ       LYS  40  -1.196   3.387  11.018
  275   3HZ   LYS  40          3HZ       LYS  40  -0.230   2.389  10.133
  276    H    MET  41           H        MET  41  -3.300  -2.016   4.271
  277    HA   MET  41           HA       MET  41  -4.146  -0.764   1.873
  278   1HB   MET  41          1HB       MET  41  -3.873  -3.139   0.829
  279   2HB   MET  41          2HB       MET  41  -2.531  -2.117   1.258
  280   1HG   MET  41          2HG       MET  41  -3.309  -4.059   3.352
  281   2HG   MET  41          1HG       MET  41  -2.634  -4.795   1.895
  282   1HE   MET  41          3HE       MET  41  -0.681  -4.588   0.870
  283   2HE   MET  41          2HE       MET  41  -0.322  -2.848   0.788
  284   3HE   MET  41          1HE       MET  41   0.833  -3.982   1.559
  285    H    LYS  42           HN       LYS  42  -5.850  -3.283   3.863
  286    HA   LYS  42           HA       LYS  42  -7.963  -3.585   1.963
  287   1HB   LYS  42          2HB       LYS  42  -7.493  -5.084   3.883
  288   2HB   LYS  42          1HB       LYS  42  -8.123  -3.852   4.994
  289   1HG   LYS  42          1HG       LYS  42 -10.315  -3.921   3.787
  290   2HG   LYS  42          2HG       LYS  42  -9.679  -5.171   2.713
  291   1HD   LYS  42          1HD       LYS  42 -10.040  -5.403   5.739
  292   2HD   LYS  42          2HD       LYS  42 -11.092  -6.101   4.496
  293   1HE   LYS  42          2HE       LYS  42  -9.071  -7.413   3.645
  294   2HE   LYS  42          1HE       LYS  42  -8.196  -6.851   5.086
  295   1HZ   LYS  42          3HZ       LYS  42  -9.868  -7.893   6.427
  296   2HZ   LYS  42          2HZ       LYS  42 -10.663  -8.434   5.086
  297   3HZ   LYS  42          1HZ       LYS  42  -9.144  -8.981   5.423
  298    H    GLY  43           H        GLY  43  -7.513  -1.350   4.720
  299   1HA   GLY  43          2HA       GLY  43  -9.926   0.074   4.626
  300   2HA   GLY  43          1HA       GLY  43  -8.372   0.685   5.194
  301    H    TYR  44           H        TYR  44  -6.827   0.737   2.915
  302    HA   TYR  44           HA       TYR  44  -7.634   3.060   1.544
  303   1HB   TYR  44          2HB       TYR  44  -5.521   0.914   1.091
  304   2HB   TYR  44          1HB       TYR  44  -5.793   2.176  -0.082
  305    HD1  TYR  44           HD1      TYR  44  -6.035   4.661   1.084
  306    HD2  TYR  44           HD2      TYR  44  -3.531   1.387   2.352
  307    HE1  TYR  44           HE1      TYR  44  -4.639   6.212   2.405
  308    HE2  TYR  44           HE2      TYR  44  -2.016   3.013   3.459
  309    HH   TYR  44           HH       TYR  44  -1.509   5.248   3.740
  310    H    ALA  45           H        ALA  45  -7.523  -0.376   0.410
  311    HA   ALA  45           HA       ALA  45  -8.673   0.039  -2.121
  312   1HB   ALA  45          1HB       ALA  45  -7.665  -2.087  -1.389
  313   2HB   ALA  45          2HB       ALA  45  -8.991  -2.349  -0.242
  314   3HB   ALA  45          3HB       ALA  45  -9.310  -2.353  -1.986
  315    H    ASP  46           HN       ASP  46 -10.297  -0.658   0.993
  316    HA   ASP  46           HA       ASP  46 -12.976  -0.640   0.028
  317   1HB   ASP  46          2HB       ASP  46 -12.380  -1.639   2.150
  318   2HB   ASP  46          1HB       ASP  46 -11.734  -0.107   2.753
  319    H    GLY  47           H        GLY  47 -10.773   1.967   1.028
  320   1HA   GLY  47          1HA       GLY  47 -10.914   4.185   0.369
  321   2HA   GLY  47          2HA       GLY  47 -12.607   3.990  -0.103
  322    H    SER  48           H        SER  48 -11.506   2.765   3.023
  323    HA   SER  48           HA       SER  48 -13.140   4.844   4.434
  324   1HB   SER  48          1HB       SER  48 -12.548   3.248   6.399
  325   2HB   SER  48          2HB       SER  48 -13.741   2.712   5.206
  326    HG   SER  48           HG       SER  48 -12.418   1.273   4.455
  327    H    TYR  49           H        TYR  49 -10.124   3.060   4.920
  328    HA   TYR  49           HA       TYR  49  -8.813   5.283   6.298
  329   1HB   TYR  49          1HB       TYR  49  -8.390   2.845   6.760
  330   2HB   TYR  49          2HB       TYR  49  -7.598   2.726   5.190
  331    HD1  TYR  49           HD2      TYR  49  -7.474   4.455   8.499
  332    HD2  TYR  49           HD1      TYR  49  -5.270   3.326   4.969
  333    HE1  TYR  49           HE2      TYR  49  -5.381   5.276   9.538
  334    HE2  TYR  49           HE1      TYR  49  -3.189   4.191   5.993
  335    HH   TYR  49           HH       TYR  49  -2.217   5.216   7.883
  336    H    GLY  50           H        GLY  50  -9.391   6.766   4.438
  337   1HA   GLY  50          1HA       GLY  50  -7.099   6.950   2.535
  338   2HA   GLY  50          2HA       GLY  50  -8.742   6.954   1.905
  339    H    GLY  51           H        GLY  51  -8.763   9.123   1.192
  340   1HA   GLY  51          1HA       GLY  51  -9.735  11.231   2.036
  341   2HA   GLY  51          2HA       GLY  51  -8.474  11.286   3.264
  342    H    GLU  52           HN       GLU  52  -9.326  12.829   0.652
  343    HA   GLU  52           HA       GLU  52  -8.440  13.840  -1.144
  344   1HB   GLU  52          2HB       GLU  52  -6.371  14.597   0.972
  345   2HB   GLU  52          1HB       GLU  52  -6.876  15.541  -0.446
  346   1HG   GLU  52          2HG       GLU  52  -8.468  14.847   2.059
  347   2HG   GLU  52          1HG       GLU  52  -7.958  16.439   1.503
  348    H    ARG  53           HN       ARG  53  -5.132  13.623  -0.132
  349    HA   ARG  53           HA       ARG  53  -4.154  12.902  -2.642
  350   1HB   ARG  53          2HB       ARG  53  -2.053  12.481  -1.544
  351   2HB   ARG  53          1HB       ARG  53  -2.823  13.890  -0.812
  352   1HG   ARG  53          2HG       ARG  53  -3.581  12.344   1.098
  353   2HG   ARG  53          1HG       ARG  53  -2.593  11.067   0.355
  354   1HD   ARG  53          2HD       ARG  53  -0.598  12.412   0.526
  355   2HD   ARG  53          1HD       ARG  53  -1.500  13.784   1.200
  356    HE   ARG  53           HE       ARG  53  -2.053  11.662   2.901
  357   1HH1  ARG  53          2HH2      ARG  53   0.894  13.331   1.776
  358   2HH1  ARG  53          1HH2      ARG  53   1.774  12.944   3.247
  359   1HH2  ARG  53          2HH1      ARG  53  -0.770  11.173   4.817
  360   2HH2  ARG  53          1HH1      ARG  53   0.877  11.778   4.884
  361    H    LYS  54           HN       LYS  54  -5.301  10.862  -0.025
  362    HA   LYS  54           HA       LYS  54  -4.118   8.421  -0.996
  363   1HB   LYS  54          1HB       LYS  54  -6.342   8.873   1.010
  364   2HB   LYS  54          2HB       LYS  54  -5.380   7.411   0.799
  365   1HG   LYS  54          2HG       LYS  54  -3.318   8.837   1.291
  366   2HG   LYS  54          1HG       LYS  54  -4.383  10.180   1.657
  367   1HD   LYS  54          2HD       LYS  54  -5.359   8.155   3.338
  368   2HD   LYS  54          1HD       LYS  54  -3.598   7.969   3.379
  369   1HE   LYS  54          2HE       LYS  54  -4.255   9.458   5.135
  370   2HE   LYS  54          1HE       LYS  54  -3.407  10.411   3.911
  371   1HZ   LYS  54          3HZ       LYS  54  -5.605  11.064   3.070
  372   2HZ   LYS  54          1HZ       LYS  54  -6.327  10.193   4.264
  373   3HZ   LYS  54          2HZ       LYS  54  -5.400  11.500   4.650
  374    H    ALA  55           H        ALA  55  -6.773  10.211  -2.160
  375    HA   ALA  55           HA       ALA  55  -8.650   8.175  -2.776
  376   1HB   ALA  55          3HB       ALA  55  -9.131  10.570  -3.011
  377   2HB   ALA  55          1HB       ALA  55  -7.967  10.694  -4.350
  378   3HB   ALA  55          2HB       ALA  55  -9.436   9.712  -4.534
  379    H    MET  56           H        MET  56  -5.795   9.319  -4.631
  380    HA   MET  56           HA       MET  56  -6.184   7.667  -6.923
  381   1HB   MET  56          2HB       MET  56  -4.683   9.609  -6.832
  382   2HB   MET  56          1HB       MET  56  -3.610   8.783  -5.694
  383   1HG   MET  56          2HG       MET  56  -4.254   7.705  -8.468
  384   2HG   MET  56          1HG       MET  56  -2.922   8.820  -8.147
  385   1HE   MET  56          2HE       MET  56  -1.444   7.029  -9.484
  386   2HE   MET  56          3HE       MET  56  -1.220   5.353  -8.929
  387   3HE   MET  56          1HE       MET  56  -2.799   5.873  -9.563
  388    H    MET  57           H        MET  57  -4.188   7.246  -4.008
  389    HA   MET  57           HA       MET  57  -3.208   4.672  -4.454
  390   1HB   MET  57          2HB       MET  57  -2.335   6.055  -2.730
  391   2HB   MET  57          1HB       MET  57  -3.905   6.150  -1.912
  392   1HG   MET  57          2HG       MET  57  -3.807   3.851  -1.237
  393   2HG   MET  57          1HG       MET  57  -2.421   3.524  -2.285
  394   1HE   MET  57          2HE       MET  57  -3.362   6.340   0.269
  395   2HE   MET  57          1HE       MET  57  -1.867   6.521   1.202
  396   3HE   MET  57          3HE       MET  57  -1.920   7.009  -0.506
  397    H    THR  58           H        THR  58  -6.270   5.602  -2.734
  398    HA   THR  58           HA       THR  58  -7.245   3.082  -2.148
  399    HB   THR  58           HB       THR  58  -8.573   5.694  -2.889
  400    HG1  THR  58           HG1      THR  58  -8.697   4.068  -0.598
  401   1HG2  THR  58          3HG2      THR  58 -10.085   3.101  -2.404
  402   2HG2  THR  58          2HG2      THR  58 -10.767   4.728  -2.204
  403   3HG2  THR  58          1HG2      THR  58 -10.212   4.195  -3.792
  404    H    ASN  59           H        ASN  59  -7.675   4.814  -5.318
  405    HA   ASN  59           HA       ASN  59  -9.036   2.583  -6.487
  406   1HB   ASN  59          1HB       ASN  59  -8.923   4.971  -7.373
  407   2HB   ASN  59          2HB       ASN  59  -7.334   4.572  -8.032
  408   1HD2  ASN  59          1HD2      ASN  59  -9.437   1.963 -10.075
  409   2HD2  ASN  59          2HD2      ASN  59  -8.467   1.596  -8.665
  410    H    ALA  60           H        ALA  60  -5.537   3.463  -6.314
  411    HA   ALA  60           HA       ALA  60  -4.585   1.420  -8.032
  412   1HB   ALA  60          3HB       ALA  60  -3.201   3.293  -7.136
  413   2HB   ALA  60          2HB       ALA  60  -3.148   2.470  -5.562
  414   3HB   ALA  60          1HB       ALA  60  -2.442   1.696  -6.984
  415    H    VAL  61           H        VAL  61  -5.177   1.299  -4.461
  416    HA   VAL  61           HA       VAL  61  -4.455  -1.496  -4.348
  417    HB   VAL  61           HB       VAL  61  -6.209  -0.243  -2.241
  418   1HG1  VAL  61          3HG2      VAL  61  -5.526  -2.661  -2.156
  419   2HG1  VAL  61          1HG2      VAL  61  -3.832  -2.164  -2.162
  420   3HG1  VAL  61          2HG2      VAL  61  -4.882  -1.721  -0.804
  421   1HG2  VAL  61          3HG1      VAL  61  -3.322   0.448  -2.785
  422   2HG2  VAL  61          2HG1      VAL  61  -4.677   1.488  -2.277
  423   3HG2  VAL  61          1HG1      VAL  61  -3.957   0.390  -1.121
  424    H    LYS  62           HN       LYS  62  -7.502   0.245  -4.979
  425    HA   LYS  62           HA       LYS  62  -9.272  -1.779  -4.381
  426   1HB   LYS  62          2HB       LYS  62  -9.910   0.566  -4.968
  427   2HB   LYS  62          1HB       LYS  62  -9.412   0.250  -6.633
  428   1HG   LYS  62          2HG       LYS  62 -11.650   0.221  -6.791
  429   2HG   LYS  62          1HG       LYS  62 -11.308  -1.492  -6.747
  430   1HD   LYS  62          1HD       LYS  62 -12.270   0.265  -4.421
  431   2HD   LYS  62          2HD       LYS  62 -13.292  -0.776  -5.412
  432   1HE   LYS  62          2HE       LYS  62 -11.159  -1.652  -3.441
  433   2HE   LYS  62          1HE       LYS  62 -12.897  -1.845  -3.308
  434   1HZ   LYS  62          3HZ       LYS  62 -12.829  -3.295  -5.224
  435   2HZ   LYS  62          1HZ       LYS  62 -11.190  -3.148  -5.320
  436   3HZ   LYS  62          2HZ       LYS  62 -11.875  -3.868  -4.010
  437    H    LYS  63           HN       LYS  63  -7.036  -1.651  -7.061
  438    HA   LYS  63           HA       LYS  63  -8.376  -3.473  -8.783
  439   1HB   LYS  63          2HB       LYS  63  -5.374  -3.128  -8.508
  440   2HB   LYS  63          1HB       LYS  63  -6.266  -3.699  -9.918
  441   1HG   LYS  63          1HG       LYS  63  -6.148  -0.885  -8.767
  442   2HG   LYS  63          2HG       LYS  63  -5.563  -1.430 -10.319
  443   1HD   LYS  63          2HD       LYS  63  -8.484  -1.196  -9.434
  444   2HD   LYS  63          1HD       LYS  63  -7.623  -0.100 -10.504
  445   1HE   LYS  63          2HE       LYS  63  -8.254  -3.036 -11.112
  446   2HE   LYS  63          1HE       LYS  63  -9.075  -1.624 -11.786
  447   1HZ   LYS  63          2HZ       LYS  63  -6.996  -0.969 -12.778
  448   2HZ   LYS  63          3HZ       LYS  63  -6.250  -2.310 -12.174
  449   3HZ   LYS  63          1HZ       LYS  63  -7.456  -2.469 -13.283
  450    H    ALA  64           H        ALA  64  -6.705  -3.949  -5.781
  451    HA   ALA  64           HA       ALA  64  -5.939  -6.774  -6.067
  452   1HB   ALA  64          2HB       ALA  64  -4.793  -4.914  -4.690
  453   2HB   ALA  64          3HB       ALA  64  -6.181  -5.008  -3.591
  454   3HB   ALA  64          1HB       ALA  64  -5.135  -6.401  -3.802
  455    H    SER  65           H        SER  65  -6.639  -7.951  -3.879
  456    HA   SER  65           HA       SER  65  -9.269  -7.655  -2.857
  457   1HB   SER  65          2HB       SER  65  -8.823  -9.904  -4.877
  458   2HB   SER  65          1HB       SER  65 -10.034  -9.994  -3.602
  459    HG   SER  65           HG       SER  65  -9.918  -7.738  -5.291
  460    H    ASP  66           HN       ASP  66  -9.586  -9.776  -1.399
  461    HA   ASP  66           HA       ASP  66  -7.884  -9.550   0.600
  462   1HB   ASP  66          1HB       ASP  66 -10.001 -10.833   0.676
  463   2HB   ASP  66          2HB       ASP  66  -9.198 -12.201  -0.119
  464    H    GLU  67           HN       GLU  67  -7.224 -12.354  -1.696
  465    HA   GLU  67           HA       GLU  67  -4.995 -13.232  -0.343
  466   1HB   GLU  67          1HB       GLU  67  -5.457 -13.241  -3.370
  467   2HB   GLU  67          2HB       GLU  67  -4.573 -14.363  -2.353
  468   1HG   GLU  67          2HG       GLU  67  -7.574 -14.108  -2.538
  469   2HG   GLU  67          1HG       GLU  67  -6.561 -15.502  -2.887
  470    H    GLU  68           HN       GLU  68  -5.276 -10.846  -2.939
  471    HA   GLU  68           HA       GLU  68  -2.494 -10.368  -3.245
  472   1HB   GLU  68          1HB       GLU  68  -4.780  -8.488  -3.848
  473   2HB   GLU  68          2HB       GLU  68  -3.191  -8.566  -4.583
  474   1HG   GLU  68          1HG       GLU  68  -4.376  -9.532  -6.194
  475   2HG   GLU  68          2HG       GLU  68  -3.993 -11.028  -5.294
  476    H    LEU  69           H        LEU  69  -5.090  -8.719  -1.236
  477    HA   LEU  69           HA       LEU  69  -3.524  -6.556  -0.367
  478   1HB   LEU  69          2HB       LEU  69  -5.911  -8.161   0.673
  479   2HB   LEU  69          1HB       LEU  69  -5.279  -6.785   1.513
  480    HG   LEU  69           HG       LEU  69  -6.268  -6.630  -1.363
  481   1HD1  LEU  69          2HD2      LEU  69  -7.733  -6.002   1.239
  482   2HD1  LEU  69          1HD2      LEU  69  -8.334  -5.645  -0.396
  483   3HD1  LEU  69          3HD2      LEU  69  -8.124  -7.321   0.122
  484   1HD2  LEU  69          1HD1      LEU  69  -5.707  -4.529   0.762
  485   2HD2  LEU  69          3HD1      LEU  69  -4.806  -4.755  -0.759
  486   3HD2  LEU  69          2HD1      LEU  69  -6.491  -4.209  -0.793
  487    H    LYS  70           HN       LYS  70  -4.190  -9.796   1.059
  488    HA   LYS  70           HA       LYS  70  -2.605  -9.472   3.404
  489   1HB   LYS  70          2HB       LYS  70  -3.417 -11.909   1.761
  490   2HB   LYS  70          1HB       LYS  70  -2.529 -12.035   3.293
  491   1HG   LYS  70          1HG       LYS  70  -4.341 -10.822   4.446
  492   2HG   LYS  70          2HG       LYS  70  -5.289 -10.786   2.955
  493   1HD   LYS  70          2HD       LYS  70  -4.435 -13.278   4.520
  494   2HD   LYS  70          1HD       LYS  70  -6.034 -12.532   4.473
  495   1HE   LYS  70          1HE       LYS  70  -6.348 -14.259   2.991
  496   2HE   LYS  70          2HE       LYS  70  -5.933 -12.943   1.889
  497   1HZ   LYS  70          1HZ       LYS  70  -4.125 -15.042   2.881
  498   2HZ   LYS  70          2HZ       LYS  70  -4.791 -14.959   1.375
  499   3HZ   LYS  70          3HZ       LYS  70  -3.685 -13.834   1.851
  500    H    ALA  71           H        ALA  71  -1.834 -11.007   0.238
  501    HA   ALA  71           HA       ALA  71   0.853 -11.538   0.934
  502   1HB   ALA  71          2HB       ALA  71  -0.377 -12.612  -0.960
  503   2HB   ALA  71          1HB       ALA  71  -0.415 -11.047  -1.804
  504   3HB   ALA  71          3HB       ALA  71   1.138 -11.871  -1.529
  505    H    LEU  72           H        LEU  72  -0.584  -8.472  -0.376
  506    HA   LEU  72           HA       LEU  72   1.993  -7.488  -1.137
  507   1HB   LEU  72          2HB       LEU  72  -0.146  -6.841  -2.185
  508   2HB   LEU  72          1HB       LEU  72  -0.715  -6.194  -0.655
  509    HG   LEU  72           HG       LEU  72   1.135  -4.542  -0.718
  510   1HD1  LEU  72          2HD1      LEU  72   2.792  -5.717  -2.162
  511   2HD1  LEU  72          1HD1      LEU  72   1.673  -5.519  -3.532
  512   3HD1  LEU  72          3HD1      LEU  72   2.396  -4.106  -2.757
  513   1HD2  LEU  72          3HD2      LEU  72  -0.705  -4.740  -3.148
  514   2HD2  LEU  72          1HD2      LEU  72  -1.088  -3.965  -1.598
  515   3HD2  LEU  72          2HD2      LEU  72   0.159  -3.278  -2.675
  516    H    ALA  73           H        ALA  73  -0.271  -7.110   1.680
  517    HA   ALA  73           HA       ALA  73   1.359  -5.509   3.287
  518   1HB   ALA  73          1HB       ALA  73  -0.960  -6.258   3.816
  519   2HB   ALA  73          2HB       ALA  73  -0.353  -7.870   4.213
  520   3HB   ALA  73          3HB       ALA  73   0.173  -6.482   5.167
  521    H    ASP  74           HN       ASP  74   1.357  -9.118   3.112
  522    HA   ASP  74           HA       ASP  74   3.451  -9.560   4.932
  523   1HB   ASP  74          2HB       ASP  74   2.761 -11.166   2.431
  524   2HB   ASP  74          1HB       ASP  74   3.769 -11.723   3.770
  525    H    TYR  75           H        TYR  75   3.674  -9.157   1.357
  526    HA   TYR  75           HA       TYR  75   6.454  -9.408   1.117
  527   1HB   TYR  75          1HB       TYR  75   4.919  -9.377  -0.775
  528   2HB   TYR  75          2HB       TYR  75   4.413  -7.748  -0.414
  529    HD1  TYR  75           HD2      TYR  75   8.009  -8.874  -0.462
  530    HD2  TYR  75           HD1      TYR  75   4.853  -6.776  -2.536
  531    HE1  TYR  75           HE2      TYR  75   9.663  -7.883  -1.983
  532    HE2  TYR  75           HE1      TYR  75   6.531  -5.792  -4.065
  533    HH   TYR  75           HH       TYR  75  10.029  -6.381  -3.700
  534    H    MET  76           H        MET  76   4.573  -6.311   1.229
  535    HA   MET  76           HA       MET  76   6.735  -4.597   1.386
  536   1HB   MET  76          2HB       MET  76   3.806  -4.423   2.220
  537   2HB   MET  76          1HB       MET  76   4.948  -3.108   2.202
  538   1HG   MET  76          2HG       MET  76   5.408  -4.092  -0.310
  539   2HG   MET  76          1HG       MET  76   3.729  -4.547  -0.133
  540   1HE   MET  76          1HE       MET  76   2.396  -2.477   1.386
  541   2HE   MET  76          3HE       MET  76   2.093  -1.008   0.425
  542   3HE   MET  76          2HE       MET  76   1.696  -2.585  -0.257
  543    H    SER  77           H        SER  77   5.073  -6.301   3.995
  544    HA   SER  77           HA       SER  77   6.252  -4.908   6.140
  545   1HB   SER  77          1HB       SER  77   4.387  -6.571   6.273
  546   2HB   SER  77          2HB       SER  77   5.566  -7.878   6.084
  547    HG   SER  77           HG       SER  77   6.065  -5.993   8.079
  548    H    LYS  78           HN       LYS  78   7.976  -6.761   3.773
  549    HA   LYS  78           HA       LYS  78  10.358  -6.817   5.547
  550   1HB   LYS  78          1HB       LYS  78   9.144  -9.059   5.498
  551   2HB   LYS  78          2HB       LYS  78   9.496  -9.133   3.764
  552   1HG   LYS  78          2HG       LYS  78  11.973  -8.873   4.403
  553   2HG   LYS  78          1HG       LYS  78  11.479  -9.056   6.091
  554   1HD   LYS  78          2HD       LYS  78  11.062 -11.070   3.827
  555   2HD   LYS  78          1HD       LYS  78  12.279 -11.176   5.109
  556   1HE   LYS  78          1HE       LYS  78  10.411 -11.269   6.809
  557   2HE   LYS  78          2HE       LYS  78   9.246 -11.328   5.470
  558   1HZ   LYS  78          3HZ       LYS  78  10.290 -13.328   4.719
  559   2HZ   LYS  78          1HZ       LYS  78  11.364 -13.289   5.969
  560   3HZ   LYS  78          2HZ       LYS  78   9.756 -13.490   6.269
  561    H    LEU  79           H        LEU  79   9.838  -4.703   3.867
  562    HA   LEU  79           HA       LEU  79  11.577  -5.106   1.558
  563   1HB   LEU  79          1HB       LEU  79   9.024  -5.378   1.263
  564   2HB   LEU  79          2HB       LEU  79   8.868  -3.733   1.861
  565    HG   LEU  79           HG       LEU  79  10.160  -2.841   0.127
  566   1HD1  LEU  79          2HD1      LEU  79  10.339  -5.699  -0.922
  567   2HD1  LEU  79          1HD1      LEU  79  10.625  -4.289  -1.970
  568   3HD1  LEU  79          3HD1      LEU  79  11.683  -4.585  -0.586
  569   1HD2  LEU  79          3HD2      LEU  79   7.885  -4.668  -0.793
  570   2HD2  LEU  79          1HD2      LEU  79   7.723  -3.024  -0.128
  571   3HD2  LEU  79          2HD2      LEU  79   8.467  -3.271  -1.720
  572    HHA  HEC   1           HHA      HEM   1   1.694   4.943   3.755
  573    HHB  HEC   1           HHB      HEM   1  -0.851  -0.042   0.681
  574    HHC  HEC   1           HHC      HEM   1   0.696   2.949  -4.735
  575    HHD  HEC   1           HHD      HEM   1   0.770   8.483  -1.413
  576   1HMA  HEC   1          1HMA      HEM   1  -1.488  -0.050   3.041
  577   2HMA  HEC   1          2HMA      HEM   1   0.149  -0.734   3.043
  578   3HMA  HEC   1          3HMA      HEM   1  -0.471   0.144   4.469
  579   1HAA  HEC   1          1HAA      HEM   1   1.948   3.147   4.979
  580   2HAA  HEC   1          2HAA      HEM   1   1.293   1.550   5.320
  581   1HBA  HEC   1          1HBA      HEM   1  -0.817   2.363   5.887
  582   2HBA  HEC   1          2HBA      HEM   1  -0.580   3.914   5.098
  583   1HMB  HEC   1          1HMB      HEM   1  -1.443  -1.541  -2.696
  584   2HMB  HEC   1          2HMB      HEM   1  -1.946  -1.046  -1.087
  585   3HMB  HEC   1          3HMB      HEM   1  -0.298  -1.645  -1.323
  586    HAB  HEC   1           HAB      HEM   1   0.074   1.029  -5.288
  587   1HBB  HEC   1          1HBB      HEM   1  -1.340  -1.048  -4.886
  588   2HBB  HEC   1          2HBB      HEM   1   0.050  -1.238  -5.951
  589   3HBB  HEC   1          3HBB      HEM   1   0.170  -1.816  -4.291
  590   1HMC  HEC   1          1HMC      HEM   1   0.350   6.304  -6.463
  591   2HMC  HEC   1          2HMC      HEM   1   1.549   5.019  -6.214
  592   3HMC  HEC   1          3HMC      HEM   1  -0.187   4.686  -6.092
  593    HAC  HEC   1           HAC      HEM   1   0.860   8.969  -3.520
  594   1HBC  HEC   1          1HBC      HEM   1   0.825   9.751  -5.693
  595   2HBC  HEC   1          2HBC      HEM   1  -0.366   8.436  -5.668
  596   3HBC  HEC   1          3HBC      HEM   1   1.259   8.211  -6.393
  597   1HMD  HEC   1          1HMD      HEM   1   1.272   9.982   0.949
  598   2HMD  HEC   1          2HMD      HEM   1  -0.083   9.783   2.078
  599   3HMD  HEC   1          3HMD      HEM   1  -0.360   9.605   0.348
  600   1HAD  HEC   1          1HAD      HEM   1  -0.678   7.711   3.909
  601   2HAD  HEC   1          2HAD      HEM   1   0.765   8.689   3.917
  602   1HBD  HEC   1          1HBD      HEM   1   2.001   6.771   5.065
  603   2HBD  HEC   1          2HBD      HEM   1   0.483   5.907   5.178
   
  No H/Q in entry =         603
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1  -3.524 -13.042  -8.033
    2   2H    ALA   1          2H        ALA   1  -4.298 -11.648  -7.770
    3   3H    ALA   1          3H        ALA   1  -4.168 -12.212  -9.330
    4    HA   ALA   1           HA       ALA   1  -1.845 -11.964  -9.381
    5   1HB   ALA   1          2HB       ALA   1  -3.092  -9.841  -9.747
    6   2HB   ALA   1          1HB       ALA   1  -2.958  -9.474  -8.018
    7   3HB   ALA   1          3HB       ALA   1  -1.501  -9.567  -9.026
    8    H    ASP   2           HN       ASP   2  -0.167 -10.357  -7.577
    9    HA   ASP   2           HA       ASP   2  -0.311 -11.664  -4.976
   10   1HB   ASP   2          1HB       ASP   2   1.839 -12.799  -5.180
   11   2HB   ASP   2          2HB       ASP   2   0.730 -13.438  -6.394
   12    H    GLY   3           H        GLY   3   1.004 -10.740  -3.519
   13   1HA   GLY   3          1HA       GLY   3   1.642  -8.324  -2.999
   14   2HA   GLY   3          2HA       GLY   3   2.852  -9.553  -2.685
   15    H    ALA   4           H        ALA   4   4.188 -10.138  -4.799
   16    HA   ALA   4           HA       ALA   4   5.793  -7.804  -5.279
   17   1HB   ALA   4          2HB       ALA   4   6.716 -10.092  -5.187
   18   2HB   ALA   4          1HB       ALA   4   5.845 -10.516  -6.673
   19   3HB   ALA   4          3HB       ALA   4   7.119  -9.280  -6.712
   20    H    ALA   5           H        ALA   5   3.696  -9.758  -7.434
   21    HA   ALA   5           HA       ALA   5   4.061  -8.257  -9.800
   22   1HB   ALA   5          2HB       ALA   5   3.028 -10.485  -9.749
   23   2HB   ALA   5          3HB       ALA   5   1.607  -9.821  -8.904
   24   3HB   ALA   5          1HB       ALA   5   1.977  -9.310 -10.562
   25    H    LEU   6           H        LEU   6   1.953  -7.683  -7.015
   26    HA   LEU   6           HA       LEU   6   0.463  -5.506  -8.245
   27   1HB   LEU   6          1HB       LEU   6   0.854  -6.339  -5.386
   28   2HB   LEU   6          2HB       LEU   6  -0.250  -5.064  -5.912
   29    HG   LEU   6           HG       LEU   6  -0.454  -7.810  -7.202
   30   1HD1  LEU   6          3HD1      LEU   6  -0.336  -8.049  -4.687
   31   2HD1  LEU   6          2HD1      LEU   6  -1.790  -7.042  -4.612
   32   3HD1  LEU   6          1HD1      LEU   6  -1.806  -8.620  -5.484
   33   1HD2  LEU   6          3HD2      LEU   6  -2.491  -5.648  -6.504
   34   2HD2  LEU   6          1HD2      LEU   6  -1.852  -6.000  -8.125
   35   3HD2  LEU   6          2HD2      LEU   6  -2.856  -7.195  -7.285
   36    H    TYR   7           H        TYR   7   2.985  -5.718  -5.696
   37    HA   TYR   7           HA       TYR   7   3.341  -3.054  -5.198
   38   1HB   TYR   7          1HB       TYR   7   4.196  -4.929  -3.835
   39   2HB   TYR   7          2HB       TYR   7   5.470  -5.201  -5.026
   40    HD1  TYR   7           HD2      TYR   7   3.950  -2.359  -3.039
   41    HD2  TYR   7           HD1      TYR   7   7.555  -4.173  -4.556
   42    HE1  TYR   7           HE2      TYR   7   5.291  -0.522  -2.062
   43    HE2  TYR   7           HE1      TYR   7   8.897  -2.454  -3.412
   44    HH   TYR   7           HH       TYR   7   8.865  -0.513  -2.205
   45    H    LYS   8           HN       LYS   8   4.876  -4.889  -7.842
   46    HA   LYS   8           HA       LYS   8   6.796  -3.012  -8.612
   47   1HB   LYS   8          1HB       LYS   8   6.777  -4.049 -10.763
   48   2HB   LYS   8          2HB       LYS   8   6.489  -5.271  -9.523
   49   1HG   LYS   8          1HG       LYS   8   4.779  -5.939 -10.803
   50   2HG   LYS   8          2HG       LYS   8   3.898  -4.555 -10.148
   51   1HD   LYS   8          1HD       LYS   8   4.838  -3.180 -12.113
   52   2HD   LYS   8          2HD       LYS   8   5.423  -4.710 -12.783
   53   1HE   LYS   8          1HE       LYS   8   2.534  -3.903 -12.212
   54   2HE   LYS   8          2HE       LYS   8   3.281  -4.162 -13.795
   55   1HZ   LYS   8          1HZ       LYS   8   3.565  -6.483 -13.157
   56   2HZ   LYS   8          2HZ       LYS   8   2.776  -6.190 -11.732
   57   3HZ   LYS   8          3HZ       LYS   8   1.980  -6.024 -13.162
   58    H    SER   9           H        SER   9   3.333  -2.658  -8.782
   59    HA   SER   9           HA       SER   9   3.348  -0.446 -10.704
   60   1HB   SER   9          1HB       SER   9   1.040  -1.189  -8.897
   61   2HB   SER   9          2HB       SER   9   1.021  -0.577 -10.559
   62    HG   SER   9           HG       SER   9   1.602  -3.168  -9.572
   63    H    CYS  10           H        CYS  10   3.678  -0.895  -7.272
   64    HA   CYS  10           HA       CYS  10   2.635   1.734  -6.491
   65   1HB   CYS  10          2HB       CYS  10   3.865  -0.460  -4.813
   66   2HB   CYS  10          1HB       CYS  10   2.893   0.866  -4.235
   67    H    ILE  11           H        ILE  11   5.706  -0.014  -6.787
   68    HA   ILE  11           HA       ILE  11   7.362   1.788  -5.375
   69    HB   ILE  11           HB       ILE  11   9.177   1.086  -6.977
   70   1HG1  ILE  11          1HG1      ILE  11   7.055  -0.707  -8.178
   71   2HG1  ILE  11          2HG1      ILE  11   7.639   0.767  -8.963
   72   1HG2  ILE  11          1HG2      ILE  11   8.626  -0.117  -4.884
   73   2HG2  ILE  11          3HG2      ILE  11   7.519  -1.171  -5.794
   74   3HG2  ILE  11          2HG2      ILE  11   9.265  -1.203  -6.118
   75   1HD1  ILE  11          2HD1      ILE  11   9.955  -0.177  -8.948
   76   2HD1  ILE  11          1HD1      ILE  11   9.295  -1.706  -8.316
   77   3HD1  ILE  11          3HD1      ILE  11   8.796  -1.118  -9.908
   78    H    GLY  12           H        GLY  12   8.888   3.389  -6.276
   79   1HA   GLY  12          2HA       GLY  12   9.372   5.124  -7.837
   80   2HA   GLY  12          1HA       GLY  12   7.767   4.997  -8.558
   81    H    CYS  13           H        CYS  13   6.011   5.172  -6.330
   82    HA   CYS  13           HA       CYS  13   6.371   8.025  -5.600
   83   1HB   CYS  13          2HB       CYS  13   4.266   5.915  -5.121
   84   2HB   CYS  13          1HB       CYS  13   4.451   7.195  -3.923
   85    H    HIS  14           HN       HIS  14   6.010   4.959  -3.957
   86    HA   HIS  14           HA       HIS  14   6.989   5.636  -1.404
   87   1HB   HIS  14          2HB       HIS  14   6.560   3.079  -3.033
   88   2HB   HIS  14          1HB       HIS  14   7.094   3.000  -1.368
   89    HD1  HIS  14           HD1      HIS  14   5.685   4.392   0.437
   90    HD2  HIS  14           HD2      HIS  14   3.796   3.580  -3.206
   91    HE1  HIS  14           HE1      HIS  14   3.261   4.708   0.818
   92    H    GLY  15           H        GLY  15   8.659   4.460  -4.278
   93   1HA   GLY  15          1HA       GLY  15  11.069   5.052  -4.514
   94   2HA   GLY  15          2HA       GLY  15  11.286   4.518  -2.838
   95    H    ALA  16           H        ALA  16  12.447   2.668  -3.080
   96    HA   ALA  16           HA       ALA  16  11.384   0.465  -4.809
   97   1HB   ALA  16          1HB       ALA  16  14.124   0.855  -3.513
   98   2HB   ALA  16          3HB       ALA  16  13.601  -0.561  -4.450
   99   3HB   ALA  16          2HB       ALA  16  13.726   1.025  -5.234
  100    H    ASP  17           HN       ASP  17  12.999   0.947  -1.627
  101    HA   ASP  17           HA       ASP  17  11.797  -1.355  -0.418
  102   1HB   ASP  17          2HB       ASP  17  12.810  -0.551   1.626
  103   2HB   ASP  17          1HB       ASP  17  13.971  -0.385   0.307
  104    H    GLY  18           H        GLY  18  11.099   2.097  -0.393
  105   1HA   GLY  18          1HA       GLY  18   8.845   2.856  -0.385
  106   2HA   GLY  18          2HA       GLY  18   8.390   1.638   0.820
  107    H    SER  19           H        SER  19  10.726   4.335   0.233
  108    HA   SER  19           HA       SER  19  10.897   4.957   3.120
  109   1HB   SER  19          2HB       SER  19  12.948   6.199   2.020
  110   2HB   SER  19          1HB       SER  19  13.031   4.457   2.324
  111    HG   SER  19           HG       SER  19  12.951   4.070   0.240
  112    H    LYS  20           HN       LYS  20   9.976   6.360  -0.060
  113    HA   LYS  20           HA       LYS  20  10.467   9.048   0.898
  114   1HB   LYS  20          1HB       LYS  20   8.752   8.374  -1.469
  115   2HB   LYS  20          2HB       LYS  20   9.666   9.846  -1.158
  116   1HG   LYS  20          2HG       LYS  20  10.687   7.121  -1.945
  117   2HG   LYS  20          1HG       LYS  20  10.775   8.607  -2.874
  118   1HD   LYS  20          1HD       LYS  20  12.317   9.616  -1.205
  119   2HD   LYS  20          2HD       LYS  20  12.291   8.124  -0.251
  120   1HE   LYS  20          1HE       LYS  20  13.318   8.352  -3.109
  121   2HE   LYS  20          2HE       LYS  20  14.306   8.261  -1.640
  122   1HZ   LYS  20          1HZ       LYS  20  13.284   6.112  -1.193
  123   2HZ   LYS  20          2HZ       LYS  20  12.487   6.194  -2.632
  124   3HZ   LYS  20          3HZ       LYS  20  14.133   6.133  -2.612
  125    H    ALA  21           H        ALA  21   9.203  10.462   1.891
  126    HA   ALA  21           HA       ALA  21   6.400   9.870   2.548
  127   1HB   ALA  21          1HB       ALA  21   8.171  12.306   3.037
  128   2HB   ALA  21          3HB       ALA  21   6.510  12.101   3.627
  129   3HB   ALA  21          2HB       ALA  21   7.790  11.013   4.198
  130    H    ALA  22           H        ALA  22   6.089   9.540   0.203
  131    HA   ALA  22           HA       ALA  22   6.414  11.341  -1.880
  132   1HB   ALA  22          3HB       ALA  22   6.013   8.989  -2.115
  133   2HB   ALA  22          1HB       ALA  22   4.346   9.157  -1.562
  134   3HB   ALA  22          2HB       ALA  22   4.870   9.912  -3.099
  135    H    MET  23           H        MET  23   3.100  10.774  -1.795
  136    HA   MET  23           HA       MET  23   2.525  13.619  -2.046
  137   1HB   MET  23          1HB       MET  23   0.749  11.170  -1.911
  138   2HB   MET  23          2HB       MET  23   0.091  12.813  -1.857
  139   1HG   MET  23          2HG       MET  23   1.249  13.351  -3.974
  140   2HG   MET  23          1HG       MET  23   1.763  11.661  -4.101
  141   1HE   MET  23          2HE       MET  23   0.661  12.113  -6.577
  142   2HE   MET  23          1HE       MET  23  -1.084  12.348  -6.829
  143   3HE   MET  23          3HE       MET  23  -0.104  13.659  -6.132
  144    H    GLY  24           H        GLY  24   3.682  14.188  -0.040
  145   1HA   GLY  24          1HA       GLY  24   3.235  15.482   1.889
  146   2HA   GLY  24          2HA       GLY  24   1.690  14.650   2.126
  147    H    SER  25           H        SER  25   2.791  14.723   4.383
  148    HA   SER  25           HA       SER  25   4.950  13.118   5.103
  149   1HB   SER  25          1HB       SER  25   2.562  13.887   6.817
  150   2HB   SER  25          2HB       SER  25   4.240  13.610   7.323
  151    HG   SER  25           HG       SER  25   4.802  15.455   6.032
  152    H    ALA  26           H        ALA  26   4.186  11.236   3.663
  153    HA   ALA  26           HA       ALA  26   2.248   9.403   4.773
  154   1HB   ALA  26          3HB       ALA  26   4.306   9.181   2.541
  155   2HB   ALA  26          1HB       ALA  26   3.155   7.906   2.915
  156   3HB   ALA  26          2HB       ALA  26   2.574   9.496   2.373
  157    H    LYS  27           HN       LYS  27   2.695   7.683   6.345
  158    HA   LYS  27           HA       LYS  27   5.305   7.566   7.476
  159   1HB   LYS  27          1HB       LYS  27   3.627   5.068   7.600
  160   2HB   LYS  27          2HB       LYS  27   4.604   5.856   8.819
  161   1HG   LYS  27          1HG       LYS  27   1.827   6.621   7.893
  162   2HG   LYS  27          2HG       LYS  27   2.293   5.922   9.418
  163   1HD   LYS  27          1HD       LYS  27   3.646   7.996   9.946
  164   2HD   LYS  27          2HD       LYS  27   2.974   8.752   8.493
  165   1HE   LYS  27          2HE       LYS  27   1.423   7.784  10.932
  166   2HE   LYS  27          1HE       LYS  27   1.668   9.454  10.395
  167   1HZ   LYS  27          1HZ       LYS  27   0.453   8.853   8.371
  168   2HZ   LYS  27          2HZ       LYS  27   0.122   7.379   9.012
  169   3HZ   LYS  27          3HZ       LYS  27  -0.464   8.734   9.742
  170    HA   PRO  28           HA       PRO  28   7.053   5.517   3.968
  171   1HB   PRO  28          2HB       PRO  28   9.316   4.299   5.013
  172   2HB   PRO  28          1HB       PRO  28   9.174   6.062   4.774
  173   1HG   PRO  28          1HG       PRO  28   8.648   4.513   7.325
  174   2HG   PRO  28          2HG       PRO  28   9.670   5.970   7.123
  175   1HD   PRO  28          1HD       PRO  28   7.107   6.152   7.991
  176   2HD   PRO  28          2HD       PRO  28   7.747   7.366   6.839
  177    H    VAL  29           H        VAL  29   7.020   3.464   3.011
  178    HA   VAL  29           HA       VAL  29   5.072   1.726   4.341
  179    HB   VAL  29           HB       VAL  29   6.073   2.143   1.555
  180   1HG1  VAL  29          2HG1      VAL  29   4.872  -0.513   2.416
  181   2HG1  VAL  29          1HG1      VAL  29   5.056   0.081   0.748
  182   3HG1  VAL  29          3HG1      VAL  29   6.493  -0.271   1.711
  183   1HG2  VAL  29          1HG2      VAL  29   3.954   3.099   2.476
  184   2HG2  VAL  29          3HG2      VAL  29   3.639   1.967   1.133
  185   3HG2  VAL  29          2HG2      VAL  29   3.373   1.454   2.802
  186    H    LYS  30           HN       LYS  30   8.545   1.597   3.457
  187    HA   LYS  30           HA       LYS  30   9.286  -0.871   3.321
  188   1HB   LYS  30          1HB       LYS  30  11.348  -0.153   4.158
  189   2HB   LYS  30          2HB       LYS  30  10.622   1.110   3.215
  190   1HG   LYS  30          2HG       LYS  30   9.876   2.154   5.472
  191   2HG   LYS  30          1HG       LYS  30  11.008   1.024   6.232
  192   1HD   LYS  30          1HD       LYS  30  12.856   1.868   4.843
  193   2HD   LYS  30          2HD       LYS  30  11.756   3.040   4.095
  194   1HE   LYS  30          1HE       LYS  30  11.328   4.035   6.365
  195   2HE   LYS  30          2HE       LYS  30  12.475   2.880   7.063
  196   1HZ   LYS  30          2HZ       LYS  30  14.175   3.840   5.682
  197   2HZ   LYS  30          1HZ       LYS  30  13.103   4.923   5.050
  198   3HZ   LYS  30          3HZ       LYS  30  13.488   4.983   6.650
  199    H    GLY  31           H        GLY  31   8.024  -2.409   4.346
  200   1HA   GLY  31          2HA       GLY  31   7.031  -3.622   5.945
  201   2HA   GLY  31          1HA       GLY  31   8.660  -3.662   6.635
  202    H    GLN  32           H        GLN  32   6.226  -0.927   6.534
  203    HA   GLN  32           HA       GLN  32   6.870  -0.190   9.141
  204   1HB   GLN  32          1HB       GLN  32   4.928   1.266   9.276
  205   2HB   GLN  32          2HB       GLN  32   5.876   1.444   7.798
  206   1HG   GLN  32          1HG       GLN  32   4.265   0.085   6.590
  207   2HG   GLN  32          2HG       GLN  32   3.285  -0.076   8.065
  208   1HE2  GLN  32          1HE2      GLN  32   3.002   3.593   6.217
  209   2HE2  GLN  32          2HE2      GLN  32   4.587   2.800   6.214
  210    H    GLY  33           H        GLY  33   4.671  -2.586   8.223
  211   1HA   GLY  33          2HA       GLY  33   5.003  -4.271  10.363
  212   2HA   GLY  33          1HA       GLY  33   3.628  -3.261  10.849
  213    H    ALA  34           H        ALA  34   3.993  -6.284   9.683
  214    HA   ALA  34           HA       ALA  34   2.580  -6.197   7.195
  215   1HB   ALA  34          1HB       ALA  34   3.862  -8.179   7.862
  216   2HB   ALA  34          3HB       ALA  34   2.673  -8.524   9.144
  217   3HB   ALA  34          2HB       ALA  34   2.191  -8.563   7.434
  218    H    GLU  35           HN       GLU  35   1.399  -6.464  10.554
  219    HA   GLU  35           HA       GLU  35  -1.377  -6.801   9.773
  220   1HB   GLU  35          1HB       GLU  35  -1.592  -5.743  12.246
  221   2HB   GLU  35          2HB       GLU  35  -1.344  -7.450  11.893
  222   1HG   GLU  35          1HG       GLU  35   0.052  -6.774  13.724
  223   2HG   GLU  35          2HG       GLU  35   1.064  -7.256  12.373
  224    H    GLU  36           HN       GLU  36   0.676  -4.016  10.719
  225    HA   GLU  36           HA       GLU  36  -1.079  -1.923  10.656
  226   1HB   GLU  36          2HB       GLU  36   1.561  -2.235  11.089
  227   2HB   GLU  36          1HB       GLU  36   1.711  -1.843   9.398
  228   1HG   GLU  36          1HG       GLU  36   2.129  -0.045  10.753
  229   2HG   GLU  36          2HG       GLU  36   0.719   0.332   9.733
  230    H    LEU  37           H        LEU  37   0.908  -3.162   7.985
  231    HA   LEU  37           HA       LEU  37  -0.188  -1.553   5.920
  232   1HB   LEU  37          1HB       LEU  37   1.343  -4.188   5.960
  233   2HB   LEU  37          2HB       LEU  37   0.951  -3.347   4.464
  234    HG   LEU  37           HG       LEU  37   2.514  -1.995   6.715
  235   1HD1  LEU  37          1HD2      LEU  37   3.539  -3.594   4.344
  236   2HD1  LEU  37          2HD2      LEU  37   4.539  -2.504   5.334
  237   3HD1  LEU  37          3HD2      LEU  37   3.784  -3.926   6.064
  238   1HD2  LEU  37          3HD1      LEU  37   1.995  -1.363   3.807
  239   2HD2  LEU  37          1HD1      LEU  37   1.619  -0.373   5.229
  240   3HD2  LEU  37          2HD1      LEU  37   3.297  -0.598   4.714
  241    H    TYR  38           HN       TYR  38  -0.834  -5.065   6.661
  242    HA   TYR  38           HA       TYR  38  -2.684  -5.661   4.773
  243   1HB   TYR  38          1HB       TYR  38  -1.973  -7.168   6.564
  244   2HB   TYR  38          2HB       TYR  38  -2.909  -6.332   7.731
  245    HD1  TYR  38           HD1      TYR  38  -3.751  -7.522   4.219
  246    HD2  TYR  38           HE2      TYR  38  -4.790  -7.550   8.411
  247    HE1  TYR  38           HD2      TYR  38  -5.898  -8.594   3.681
  248    HE2  TYR  38           HE1      TYR  38  -6.902  -8.720   7.864
  249    HH   TYR  38           HH       TYR  38  -7.748  -9.727   4.547
  250    H    LYS  39           HN       LYS  39  -3.471  -4.439   7.918
  251    HA   LYS  39           HA       LYS  39  -6.234  -3.922   7.601
  252   1HB   LYS  39          1HB       LYS  39  -4.141  -2.472   9.284
  253   2HB   LYS  39          2HB       LYS  39  -5.876  -2.163   9.427
  254   1HG   LYS  39          2HG       LYS  39  -6.317  -4.457  10.082
  255   2HG   LYS  39          1HG       LYS  39  -4.635  -4.931   9.780
  256   1HD   LYS  39          1HD       LYS  39  -3.867  -3.316  11.516
  257   2HD   LYS  39          2HD       LYS  39  -5.553  -2.926  11.895
  258   1HE   LYS  39          1HE       LYS  39  -4.248  -5.686  12.136
  259   2HE   LYS  39          2HE       LYS  39  -4.567  -4.576  13.479
  260   1HZ   LYS  39          3HZ       LYS  39  -6.901  -4.740  12.980
  261   2HZ   LYS  39          1HZ       LYS  39  -6.602  -5.801  11.754
  262   3HZ   LYS  39          2HZ       LYS  39  -6.258  -6.222  13.308
  263    H    LYS  40           HN       LYS  40  -3.516  -1.715   6.863
  264    HA   LYS  40           HA       LYS  40  -5.235   0.467   5.985
  265   1HB   LYS  40          2HB       LYS  40  -2.264  -0.172   5.791
  266   2HB   LYS  40          1HB       LYS  40  -2.979   1.282   5.125
  267   1HG   LYS  40          1HG       LYS  40  -3.968   1.784   7.428
  268   2HG   LYS  40          2HG       LYS  40  -3.224   0.317   8.048
  269   1HD   LYS  40          2HD       LYS  40  -0.970   1.311   7.215
  270   2HD   LYS  40          1HD       LYS  40  -1.920   2.811   7.044
  271   1HE   LYS  40          1HE       LYS  40  -2.461   2.789   9.431
  272   2HE   LYS  40          2HE       LYS  40  -1.561   1.271   9.625
  273   1HZ   LYS  40          2HZ       LYS  40   0.404   2.460   8.844
  274   2HZ   LYS  40          3HZ       LYS  40  -0.458   3.858   8.763
  275   3HZ   LYS  40          1HZ       LYS  40  -0.215   3.123  10.226
  276    H    MET  41           H        MET  41  -3.331  -2.011   3.980
  277    HA   MET  41           HA       MET  41  -4.356  -1.088   1.578
  278   1HB   MET  41          1HB       MET  41  -4.421  -3.957   1.485
  279   2HB   MET  41          2HB       MET  41  -3.372  -2.785   0.732
  280   1HG   MET  41          2HG       MET  41  -2.869  -4.046   3.394
  281   2HG   MET  41          1HG       MET  41  -2.269  -4.654   1.862
  282   1HE   MET  41          3HE       MET  41  -1.120  -3.286   0.121
  283   2HE   MET  41          2HE       MET  41  -1.484  -1.584   0.495
  284   3HE   MET  41          1HE       MET  41   0.192  -2.163   0.518
  285    H    LYS  42           HN       LYS  42  -5.872  -3.345   3.940
  286    HA   LYS  42           HA       LYS  42  -8.247  -3.798   2.454
  287   1HB   LYS  42          1HB       LYS  42  -7.284  -4.956   4.558
  288   2HB   LYS  42          2HB       LYS  42  -8.117  -3.707   5.493
  289   1HG   LYS  42          2HG       LYS  42 -10.280  -4.436   4.549
  290   2HG   LYS  42          1HG       LYS  42  -9.439  -5.552   3.449
  291   1HD   LYS  42          1HD       LYS  42  -8.451  -6.715   5.449
  292   2HD   LYS  42          2HD       LYS  42  -9.469  -5.715   6.498
  293   1HE   LYS  42          1HE       LYS  42 -11.494  -6.682   5.481
  294   2HE   LYS  42          2HE       LYS  42 -10.512  -7.556   4.288
  295   1HZ   LYS  42          1HZ       LYS  42  -9.512  -8.780   6.059
  296   2HZ   LYS  42          2HZ       LYS  42 -10.429  -7.996   7.184
  297   3HZ   LYS  42          3HZ       LYS  42 -11.150  -8.974   6.070
  298    H    GLY  43           H        GLY  43  -7.298  -1.313   4.768
  299   1HA   GLY  43          1HA       GLY  43  -9.355   0.442   5.255
  300   2HA   GLY  43          2HA       GLY  43  -7.700   0.770   4.913
  301    H    TYR  44           H        TYR  44  -6.965   0.707   2.651
  302    HA   TYR  44           HA       TYR  44  -8.197   2.743   1.148
  303   1HB   TYR  44          2HB       TYR  44  -6.107   0.602   0.538
  304   2HB   TYR  44          1HB       TYR  44  -6.574   1.827  -0.609
  305    HD1  TYR  44           HD1      TYR  44  -6.648   4.345   0.885
  306    HD2  TYR  44           HD2      TYR  44  -3.827   1.093   1.038
  307    HE1  TYR  44           HE1      TYR  44  -5.071   5.763   2.158
  308    HE2  TYR  44           HE2      TYR  44  -2.107   2.683   1.892
  309    HH   TYR  44           HH       TYR  44  -1.638   4.818   2.417
  310    H    ALA  45           H        ALA  45  -7.994  -0.775   0.529
  311    HA   ALA  45           HA       ALA  45  -9.554  -0.855  -1.787
  312   1HB   ALA  45          2HB       ALA  45  -8.224  -2.754  -0.946
  313   2HB   ALA  45          3HB       ALA  45  -9.365  -2.967   0.403
  314   3HB   ALA  45          1HB       ALA  45  -9.901  -3.237  -1.269
  315    H    ASP  46           HN       ASP  46 -10.663  -0.854   1.633
  316    HA   ASP  46           HA       ASP  46 -13.445  -1.260   0.954
  317   1HB   ASP  46          1HB       ASP  46 -12.527  -1.831   3.155
  318   2HB   ASP  46          2HB       ASP  46 -12.098  -0.140   3.445
  319    H    GLY  47           H        GLY  47 -11.283   1.537   1.322
  320   1HA   GLY  47          2HA       GLY  47 -11.574   3.535   0.123
  321   2HA   GLY  47          1HA       GLY  47 -13.317   3.273   0.017
  322    H    SER  48           H        SER  48 -12.513   2.537   3.224
  323    HA   SER  48           HA       SER  48 -13.647   4.993   4.246
  324   1HB   SER  48          2HB       SER  48 -12.959   3.622   6.366
  325   2HB   SER  48          1HB       SER  48 -14.239   2.964   5.329
  326    HG   SER  48           HG       SER  48 -13.006   1.302   5.067
  327    H    TYR  49           H        TYR  49 -10.650   3.156   4.687
  328    HA   TYR  49           HA       TYR  49  -9.182   5.401   5.827
  329   1HB   TYR  49          1HB       TYR  49  -8.840   2.918   6.333
  330   2HB   TYR  49          2HB       TYR  49  -8.046   2.796   4.765
  331    HD1  TYR  49           HD1      TYR  49  -7.786   4.352   8.090
  332    HD2  TYR  49           HD2      TYR  49  -5.820   3.397   4.373
  333    HE1  TYR  49           HE1      TYR  49  -5.634   4.933   9.082
  334    HE2  TYR  49           HE2      TYR  49  -3.678   4.046   5.311
  335    HH   TYR  49           HH       TYR  49  -2.545   4.994   7.227
  336    H    GLY  50           H        GLY  50  -9.709   6.906   3.955
  337   1HA   GLY  50          2HA       GLY  50  -7.427   7.181   2.264
  338   2HA   GLY  50          1HA       GLY  50  -8.769   6.518   1.326
  339    H    GLY  51           H        GLY  51  -8.341   8.734   0.212
  340   1HA   GLY  51          2HA       GLY  51 -10.096  10.474  -0.106
  341   2HA   GLY  51          1HA       GLY  51  -9.801  10.982   1.562
  342    H    GLU  52           HN       GLU  52  -9.499  12.462  -0.942
  343    HA   GLU  52           HA       GLU  52  -8.164  13.875  -2.058
  344   1HB   GLU  52          2HB       GLU  52  -6.977  14.137   0.739
  345   2HB   GLU  52          1HB       GLU  52  -6.709  15.276  -0.601
  346   1HG   GLU  52          2HG       GLU  52  -9.161  15.685  -0.719
  347   2HG   GLU  52          1HG       GLU  52  -9.409  14.580   0.645
  348    H    ARG  53           HN       ARG  53  -5.329  13.305  -0.096
  349    HA   ARG  53           HA       ARG  53  -3.630  12.782  -2.286
  350   1HB   ARG  53          1HB       ARG  53  -2.013  12.332  -0.520
  351   2HB   ARG  53          2HB       ARG  53  -2.962  13.763  -0.151
  352   1HG   ARG  53          1HG       ARG  53  -4.425  12.097   1.316
  353   2HG   ARG  53          2HG       ARG  53  -3.023  11.035   1.152
  354   1HD   ARG  53          1HD       ARG  53  -2.775  13.874   2.184
  355   2HD   ARG  53          2HD       ARG  53  -3.161  12.517   3.224
  356    HE   ARG  53           HE       ARG  53  -0.666  12.801   1.561
  357   1HH1  ARG  53          1HH2      ARG  53  -2.180  11.419   4.490
  358   2HH1  ARG  53          2HH2      ARG  53  -0.732  10.585   4.959
  359   1HH2  ARG  53          1HH1      ARG  53   1.152  11.879   2.241
  360   2HH2  ARG  53          2HH1      ARG  53   1.279  11.020   3.768
  361    H    LYS  54           HN       LYS  54  -5.422  10.690  -0.039
  362    HA   LYS  54           HA       LYS  54  -4.303   8.192  -1.173
  363   1HB   LYS  54          1HB       LYS  54  -6.308   8.838   0.996
  364   2HB   LYS  54          2HB       LYS  54  -5.864   7.188   0.514
  365   1HG   LYS  54          2HG       LYS  54  -3.767   7.346   1.458
  366   2HG   LYS  54          1HG       LYS  54  -3.603   9.033   1.126
  367   1HD   LYS  54          1HD       LYS  54  -5.162   9.679   2.892
  368   2HD   LYS  54          2HD       LYS  54  -5.553   7.993   3.256
  369   1HE   LYS  54          1HE       LYS  54  -2.732   9.078   3.512
  370   2HE   LYS  54          2HE       LYS  54  -3.915   9.198   4.824
  371   1HZ   LYS  54          1HZ       LYS  54  -3.087   6.673   3.588
  372   2HZ   LYS  54          3HZ       LYS  54  -2.549   7.277   5.024
  373   3HZ   LYS  54          2HZ       LYS  54  -4.136   6.854   4.848
  374    H    ALA  55           H        ALA  55  -5.040   8.936  -3.213
  375    HA   ALA  55           HA       ALA  55  -7.872   8.034  -3.770
  376   1HB   ALA  55          2HB       ALA  55  -6.455  10.419  -5.031
  377   2HB   ALA  55          3HB       ALA  55  -8.010   9.746  -5.571
  378   3HB   ALA  55          1HB       ALA  55  -7.864  10.444  -3.950
  379    H    MET  56           H        MET  56  -5.022   8.883  -5.791
  380    HA   MET  56           HA       MET  56  -5.567   7.054  -7.842
  381   1HB   MET  56          2HB       MET  56  -2.809   7.995  -6.880
  382   2HB   MET  56          1HB       MET  56  -3.235   7.303  -8.445
  383   1HG   MET  56          2HG       MET  56  -3.209   9.521  -8.986
  384   2HG   MET  56          1HG       MET  56  -4.917   9.322  -8.593
  385   1HE   MET  56          2HE       MET  56  -4.251  12.135  -8.833
  386   2HE   MET  56          3HE       MET  56  -5.720  11.634  -7.955
  387   3HE   MET  56          1HE       MET  56  -4.649  12.875  -7.264
  388    H    MET  57           H        MET  57  -3.370   6.757  -5.095
  389    HA   MET  57           HA       MET  57  -2.577   4.087  -5.235
  390   1HB   MET  57          2HB       MET  57  -1.567   5.564  -3.654
  391   2HB   MET  57          1HB       MET  57  -3.130   5.985  -2.933
  392   1HG   MET  57          1HG       MET  57  -3.368   3.789  -1.933
  393   2HG   MET  57          2HG       MET  57  -1.961   3.173  -2.809
  394   1HE   MET  57          1HE       MET  57  -3.151   6.043  -0.478
  395   2HE   MET  57          3HE       MET  57  -1.723   6.402   0.509
  396   3HE   MET  57          2HE       MET  57  -1.746   6.866  -1.203
  397    H    THR  58           H        THR  58  -5.428   5.485  -3.442
  398    HA   THR  58           HA       THR  58  -6.410   3.169  -2.392
  399    HB   THR  58           HB       THR  58  -8.093   5.475  -3.439
  400    HG1  THR  58           HG1      THR  58  -7.458   6.462  -1.509
  401   1HG2  THR  58          1HG2      THR  58  -9.354   3.557  -2.428
  402   2HG2  THR  58          3HG2      THR  58  -8.364   3.738  -0.964
  403   3HG2  THR  58          2HG2      THR  58  -9.458   5.040  -1.459
  404    H    ASN  59           H        ASN  59  -7.337   4.601  -5.604
  405    HA   ASN  59           HA       ASN  59  -9.049   2.359  -6.167
  406   1HB   ASN  59          2HB       ASN  59  -9.071   4.660  -7.299
  407   2HB   ASN  59          1HB       ASN  59  -7.803   4.026  -8.353
  408   1HD2  ASN  59          1HD2      ASN  59 -10.603   1.400  -9.210
  409   2HD2  ASN  59          2HD2      ASN  59  -9.203   1.110  -8.198
  410    H    ALA  60           H        ALA  60  -5.557   3.003  -6.802
  411    HA   ALA  60           HA       ALA  60  -5.188   0.811  -8.596
  412   1HB   ALA  60          1HB       ALA  60  -3.207   2.094  -6.672
  413   2HB   ALA  60          2HB       ALA  60  -2.806   0.990  -8.004
  414   3HB   ALA  60          3HB       ALA  60  -3.529   2.573  -8.346
  415    H    VAL  61           H        VAL  61  -4.551   0.955  -5.036
  416    HA   VAL  61           HA       VAL  61  -4.050  -1.839  -4.842
  417    HB   VAL  61           HB       VAL  61  -3.261  -0.155  -3.220
  418   1HG1  VAL  61          1HG1      VAL  61  -5.411   1.117  -2.947
  419   2HG1  VAL  61          2HG1      VAL  61  -6.069  -0.246  -2.032
  420   3HG1  VAL  61          3HG1      VAL  61  -4.643   0.638  -1.435
  421   1HG2  VAL  61          1HG2      VAL  61  -3.276  -2.584  -2.691
  422   2HG2  VAL  61          3HG2      VAL  61  -3.502  -1.569  -1.251
  423   3HG2  VAL  61          2HG2      VAL  61  -4.887  -2.408  -1.963
  424    H    LYS  62           HN       LYS  62  -7.118   0.015  -4.655
  425    HA   LYS  62           HA       LYS  62  -8.791  -1.916  -3.608
  426   1HB   LYS  62          2HB       LYS  62  -9.533   0.296  -4.135
  427   2HB   LYS  62          1HB       LYS  62  -9.267   0.055  -5.861
  428   1HG   LYS  62          1HG       LYS  62 -11.023  -1.494  -6.080
  429   2HG   LYS  62          2HG       LYS  62 -11.311  -1.570  -4.336
  430   1HD   LYS  62          1HD       LYS  62 -11.524   1.075  -5.850
  431   2HD   LYS  62          2HD       LYS  62 -12.825  -0.110  -5.939
  432   1HE   LYS  62          1HE       LYS  62 -13.357   1.521  -4.241
  433   2HE   LYS  62          2HE       LYS  62 -13.140  -0.073  -3.506
  434   1HZ   LYS  62          3HZ       LYS  62 -11.093   2.037  -3.535
  435   2HZ   LYS  62          2HZ       LYS  62 -12.113   1.716  -2.276
  436   3HZ   LYS  62          1HZ       LYS  62 -11.027   0.586  -2.744
  437    H    LYS  63           HN       LYS  63  -7.183  -2.127  -6.771
  438    HA   LYS  63           HA       LYS  63  -8.992  -4.022  -7.865
  439   1HB   LYS  63          2HB       LYS  63  -6.105  -3.346  -8.417
  440   2HB   LYS  63          1HB       LYS  63  -6.808  -4.801  -9.115
  441   1HG   LYS  63          1HG       LYS  63  -6.977  -2.989 -10.678
  442   2HG   LYS  63          2HG       LYS  63  -8.580  -3.573 -10.207
  443   1HD   LYS  63          2HD       LYS  63  -8.938  -1.616  -8.769
  444   2HD   LYS  63          1HD       LYS  63  -7.236  -1.160  -8.939
  445   1HE   LYS  63          2HE       LYS  63  -8.567   0.277 -10.384
  446   2HE   LYS  63          1HE       LYS  63  -7.565  -0.774 -11.381
  447   1HZ   LYS  63          3HZ       LYS  63 -10.403  -1.220 -10.755
  448   2HZ   LYS  63          2HZ       LYS  63  -9.809  -0.641 -12.179
  449   3HZ   LYS  63          1HZ       LYS  63  -9.466  -2.182 -11.710
  450    H    ALA  64           H        ALA  64  -6.438  -4.324  -5.439
  451    HA   ALA  64           HA       ALA  64  -5.893  -7.163  -5.639
  452   1HB   ALA  64          1HB       ALA  64  -5.405  -5.077  -3.470
  453   2HB   ALA  64          2HB       ALA  64  -4.779  -6.696  -3.423
  454   3HB   ALA  64          3HB       ALA  64  -4.258  -5.596  -4.718
  455    H    SER  65           H        SER  65  -7.051  -8.786  -4.747
  456    HA   SER  65           HA       SER  65  -9.373  -8.170  -2.966
  457   1HB   SER  65          2HB       SER  65  -9.818  -9.643  -4.901
  458   2HB   SER  65          1HB       SER  65  -8.660 -10.829  -4.267
  459    HG   SER  65           HG       SER  65 -10.857 -11.218  -3.620
  460    H    ASP  66           HN       ASP  66  -9.450 -10.338  -1.360
  461    HA   ASP  66           HA       ASP  66  -7.751  -9.529   0.703
  462   1HB   ASP  66          2HB       ASP  66  -9.793 -10.890   1.064
  463   2HB   ASP  66          1HB       ASP  66  -8.956 -12.314   0.418
  464    H    GLU  67           HN       GLU  67  -7.186 -12.444  -1.294
  465    HA   GLU  67           HA       GLU  67  -4.764 -13.345  -0.329
  466   1HB   GLU  67          2HB       GLU  67  -6.056 -13.164  -3.048
  467   2HB   GLU  67          1HB       GLU  67  -4.341 -13.535  -3.040
  468   1HG   GLU  67          2HG       GLU  67  -5.859 -15.572  -2.972
  469   2HG   GLU  67          1HG       GLU  67  -4.760 -15.493  -1.587
  470    H    GLU  68           HN       GLU  68  -5.129 -10.847  -2.817
  471    HA   GLU  68           HA       GLU  68  -2.416 -10.192  -3.114
  472   1HB   GLU  68          2HB       GLU  68  -5.104  -8.878  -3.710
  473   2HB   GLU  68          1HB       GLU  68  -3.545  -8.341  -4.231
  474   1HG   GLU  68          1HG       GLU  68  -3.974  -9.616  -6.014
  475   2HG   GLU  68          2HG       GLU  68  -3.347 -10.973  -4.996
  476    H    LEU  69           H        LEU  69  -5.047  -8.629  -1.222
  477    HA   LEU  69           HA       LEU  69  -3.491  -6.444  -0.269
  478   1HB   LEU  69          1HB       LEU  69  -5.823  -7.878   1.047
  479   2HB   LEU  69          2HB       LEU  69  -5.205  -6.305   1.554
  480    HG   LEU  69           HG       LEU  69  -6.244  -6.798  -1.270
  481   1HD1  LEU  69          2HD2      LEU  69  -7.787  -5.809   1.159
  482   2HD1  LEU  69          3HD2      LEU  69  -8.374  -5.784  -0.518
  483   3HD1  LEU  69          1HD2      LEU  69  -8.069  -7.327   0.287
  484   1HD2  LEU  69          2HD1      LEU  69  -4.856  -4.720  -0.859
  485   2HD2  LEU  69          1HD1      LEU  69  -6.499  -4.470  -1.470
  486   3HD2  LEU  69          3HD1      LEU  69  -6.165  -4.195   0.235
  487    H    LYS  70           HN       LYS  70  -4.031  -9.711   1.159
  488    HA   LYS  70           HA       LYS  70  -2.370  -9.319   3.469
  489   1HB   LYS  70          2HB       LYS  70  -3.089 -11.821   1.888
  490   2HB   LYS  70          1HB       LYS  70  -2.227 -11.841   3.433
  491   1HG   LYS  70          1HG       LYS  70  -4.130 -10.775   4.559
  492   2HG   LYS  70          2HG       LYS  70  -5.033 -10.728   3.039
  493   1HD   LYS  70          1HD       LYS  70  -4.142 -13.226   4.553
  494   2HD   LYS  70          2HD       LYS  70  -5.787 -12.586   4.396
  495   1HE   LYS  70          1HE       LYS  70  -5.494 -12.872   1.852
  496   2HE   LYS  70          2HE       LYS  70  -4.062 -13.851   2.222
  497   1HZ   LYS  70          3HZ       LYS  70  -5.508 -15.281   3.510
  498   2HZ   LYS  70          2HZ       LYS  70  -6.812 -14.345   3.103
  499   3HZ   LYS  70          1HZ       LYS  70  -6.002 -15.175   1.935
  500    H    ALA  71           H        ALA  71  -1.698 -10.784   0.260
  501    HA   ALA  71           HA       ALA  71   1.012 -11.310   0.822
  502   1HB   ALA  71          1HB       ALA  71  -0.275 -12.393  -1.001
  503   2HB   ALA  71          3HB       ALA  71  -0.348 -10.844  -1.870
  504   3HB   ALA  71          2HB       ALA  71   1.219 -11.659  -1.616
  505    H    LEU  72           H        LEU  72  -0.485  -8.264  -0.352
  506    HA   LEU  72           HA       LEU  72   1.963  -7.025  -1.149
  507   1HB   LEU  72          1HB       LEU  72  -0.863  -6.251  -0.428
  508   2HB   LEU  72          2HB       LEU  72   0.354  -5.028  -0.241
  509    HG   LEU  72           HG       LEU  72   0.050  -6.588  -2.825
  510   1HD1  LEU  72          1HD2      LEU  72  -2.099  -5.495  -2.331
  511   2HD1  LEU  72          2HD2      LEU  72  -1.265  -3.945  -2.086
  512   3HD1  LEU  72          3HD2      LEU  72  -1.285  -4.699  -3.688
  513   1HD2  LEU  72          3HD1      LEU  72   1.325  -3.891  -2.139
  514   2HD2  LEU  72          1HD1      LEU  72   2.189  -5.365  -2.605
  515   3HD2  LEU  72          2HD1      LEU  72   1.162  -4.535  -3.779
  516    H    ALA  73           H        ALA  73   0.026  -6.929   1.885
  517    HA   ALA  73           HA       ALA  73   1.843  -5.446   3.424
  518   1HB   ALA  73          2HB       ALA  73  -0.432  -5.994   4.133
  519   2HB   ALA  73          1HB       ALA  73  -0.004  -7.705   4.331
  520   3HB   ALA  73          3HB       ALA  73   0.757  -6.481   5.359
  521    H    ASP  74           HN       ASP  74   1.629  -9.038   3.125
  522    HA   ASP  74           HA       ASP  74   3.846  -9.704   4.686
  523   1HB   ASP  74          1HB       ASP  74   2.276 -11.372   3.846
  524   2HB   ASP  74          2HB       ASP  74   2.786 -11.052   2.179
  525    H    TYR  75           H        TYR  75   3.836  -9.137   1.089
  526    HA   TYR  75           HA       TYR  75   6.570  -9.605   0.681
  527   1HB   TYR  75          2HB       TYR  75   4.889  -9.453  -1.099
  528   2HB   TYR  75          1HB       TYR  75   4.667  -7.733  -0.791
  529    HD1  TYR  75           HD1      TYR  75   6.967 -10.316  -2.125
  530    HD2  TYR  75           HD2      TYR  75   6.359  -6.089  -1.519
  531    HE1  TYR  75           HE1      TYR  75   8.936  -9.829  -3.541
  532    HE2  TYR  75           HE2      TYR  75   8.391  -5.617  -2.862
  533    HH   TYR  75           HH       TYR  75  10.332  -8.191  -4.378
  534    H    MET  76           H        MET  76   4.919  -6.359   1.167
  535    HA   MET  76           HA       MET  76   7.237  -4.845   1.235
  536   1HB   MET  76          2HB       MET  76   4.429  -4.618   2.420
  537   2HB   MET  76          1HB       MET  76   5.622  -3.333   2.353
  538   1HG   MET  76          2HG       MET  76   5.787  -3.908  -0.197
  539   2HG   MET  76          1HG       MET  76   4.296  -4.767   0.000
  540   1HE   MET  76          3HE       MET  76   3.346  -2.464   2.368
  541   2HE   MET  76          1HE       MET  76   2.173  -1.580   1.383
  542   3HE   MET  76          2HE       MET  76   2.162  -3.372   1.390
  543    H    SER  77           H        SER  77   5.640  -6.682   3.873
  544    HA   SER  77           HA       SER  77   7.571  -5.800   5.856
  545   1HB   SER  77          2HB       SER  77   5.499  -8.032   5.841
  546   2HB   SER  77          1HB       SER  77   6.325  -7.330   7.229
  547    HG   SER  77           HG       SER  77   4.478  -6.086   5.503
  548    H    LYS  78           HN       LYS  78   8.537  -7.316   3.273
  549    HA   LYS  78           HA       LYS  78  10.348  -9.125   4.709
  550   1HB   LYS  78          1HB       LYS  78   8.271 -10.379   3.916
  551   2HB   LYS  78          2HB       LYS  78   8.736  -9.972   2.255
  552   1HG   LYS  78          1HG       LYS  78  10.947 -11.169   2.719
  553   2HG   LYS  78          2HG       LYS  78  10.269 -11.675   4.275
  554   1HD   LYS  78          1HD       LYS  78   9.137 -12.286   1.501
  555   2HD   LYS  78          2HD       LYS  78  10.026 -13.419   2.535
  556   1HE   LYS  78          2HE       LYS  78   8.198 -13.198   4.267
  557   2HE   LYS  78          1HE       LYS  78   7.290 -12.185   3.129
  558   1HZ   LYS  78          1HZ       LYS  78   7.261 -13.993   1.601
  559   2HZ   LYS  78          3HZ       LYS  78   8.076 -14.962   2.661
  560   3HZ   LYS  78          2HZ       LYS  78   6.567 -14.408   3.032
  561    H    LEU  79           H        LEU  79  10.478  -6.442   3.786
  562    HA   LEU  79           HA       LEU  79  12.226  -6.490   1.473
  563   1HB   LEU  79          2HB       LEU  79   9.579  -5.619   1.594
  564   2HB   LEU  79          1HB       LEU  79  10.386  -4.174   2.182
  565    HG   LEU  79           HG       LEU  79  10.881  -5.809  -0.323
  566   1HD1  LEU  79          2HD2      LEU  79   9.610  -3.043  -0.012
  567   2HD1  LEU  79          3HD2      LEU  79   9.970  -3.814  -1.572
  568   3HD1  LEU  79          1HD2      LEU  79   8.781  -4.543  -0.482
  569   1HD2  LEU  79          3HD1      LEU  79  12.216  -3.294   0.710
  570   2HD2  LEU  79          2HD1      LEU  79  12.987  -4.813   0.215
  571   3HD2  LEU  79          1HD1      LEU  79  12.298  -3.749  -1.020
  572    HHA  HEC   1           HHA      HEM   1   1.523   5.200   3.221
  573    HHB  HEC   1           HHB      HEM   1  -0.193  -0.086   0.087
  574    HHC  HEC   1           HHC      HEM   1   1.080   2.996  -5.412
  575    HHD  HEC   1           HHD      HEM   1   1.295   8.515  -2.132
  576   1HMA  HEC   1          1HMA      HEM   1  -1.223   0.096   2.435
  577   2HMA  HEC   1          2HMA      HEM   1   0.437  -0.547   2.520
  578   3HMA  HEC   1          3HMA      HEM   1  -0.266   0.323   3.903
  579   1HAA  HEC   1          1HAA      HEM   1   1.167   1.870   4.867
  580   2HAA  HEC   1          2HAA      HEM   1   1.949   3.377   4.444
  581   1HBA  HEC   1          1HBA      HEM   1  -0.599   4.241   4.259
  582   2HBA  HEC   1          2HBA      HEM   1  -0.927   2.809   5.190
  583   1HMB  HEC   1          1HMB      HEM   1   0.477  -1.638  -1.711
  584   2HMB  HEC   1          2HMB      HEM   1  -0.299  -1.785  -3.279
  585   3HMB  HEC   1          3HMB      HEM   1  -1.253  -1.259  -1.886
  586    HAB  HEC   1           HAB      HEM   1   0.473   1.035  -5.937
  587   1HBB  HEC   1          1HBB      HEM   1  -1.138  -0.559  -6.624
  588   2HBB  HEC   1          2HBB      HEM   1  -1.463  -1.074  -4.965
  589   3HBB  HEC   1          3HBB      HEM   1  -1.900   0.564  -5.473
  590   1HMC  HEC   1          1HMC      HEM   1   1.651   6.351  -7.045
  591   2HMC  HEC   1          2HMC      HEM   1   2.499   4.831  -6.701
  592   3HMC  HEC   1          3HMC      HEM   1   0.727   4.862  -6.856
  593    HAC  HEC   1           HAC      HEM   1   2.436   8.768  -4.021
  594   1HBC  HEC   1          1HBC      HEM   1   0.131   9.039  -4.804
  595   2HBC  HEC   1          2HBC      HEM   1   1.297   9.886  -5.852
  596   3HBC  HEC   1          3HBC      HEM   1   0.579   8.355  -6.379
  597   1HMD  HEC   1          1HMD      HEM   1  -0.268   9.597  -0.613
  598   2HMD  HEC   1          2HMD      HEM   1  -0.293   9.887   1.117
  599   3HMD  HEC   1          3HMD      HEM   1   1.230  10.089   0.225
  600   1HAD  HEC   1          1HAD      HEM   1  -1.040   7.434   2.995
  601   2HAD  HEC   1          2HAD      HEM   1  -0.017   8.834   3.042
  602   1HBD  HEC   1          1HBD      HEM   1   1.674   7.185   4.347
  603   2HBD  HEC   1          2HBD      HEM   1   0.245   6.233   4.558
   
  No H/Q in entry =         603
  Start of MODEL   14
    1   1H    ALA   1          3H        ALA   1   4.023 -12.462  -8.995
    2   2H    ALA   1          1H        ALA   1   3.911 -13.833  -9.939
    3   3H    ALA   1          2H        ALA   1   2.760 -12.638 -10.012
    4    HA   ALA   1           HA       ALA   1   1.808 -14.323  -8.735
    5   1HB   ALA   1          3HB       ALA   1   3.919 -15.486  -8.145
    6   2HB   ALA   1          2HB       ALA   1   4.345 -14.156  -7.043
    7   3HB   ALA   1          1HB       ALA   1   2.931 -15.174  -6.708
    8    H    ASP   2           HN       ASP   2   0.906 -13.981  -6.435
    9    HA   ASP   2           HA       ASP   2  -0.081 -11.376  -6.117
   10   1HB   ASP   2          1HB       ASP   2  -0.817 -12.255  -3.880
   11   2HB   ASP   2          2HB       ASP   2  -1.231 -13.301  -5.240
   12    H    GLY   3           H        GLY   3   0.316  -9.791  -4.496
   13   1HA   GLY   3          1HA       GLY   3   1.555  -8.504  -3.034
   14   2HA   GLY   3          2HA       GLY   3   2.674  -9.841  -2.805
   15    H    ALA   4           H        ALA   4   3.884 -10.426  -4.760
   16    HA   ALA   4           HA       ALA   4   5.801  -8.393  -5.279
   17   1HB   ALA   4          1HB       ALA   4   6.335 -10.793  -5.207
   18   2HB   ALA   4          3HB       ALA   4   5.401 -11.063  -6.692
   19   3HB   ALA   4          2HB       ALA   4   6.872 -10.066  -6.734
   20    H    ALA   5           H        ALA   5   3.371  -9.844  -7.533
   21    HA   ALA   5           HA       ALA   5   4.196  -8.372  -9.814
   22   1HB   ALA   5          2HB       ALA   5   1.434  -9.441  -9.093
   23   2HB   ALA   5          1HB       ALA   5   1.942  -8.882 -10.700
   24   3HB   ALA   5          3HB       ALA   5   2.715 -10.303  -9.979
   25    H    LEU   6           H        LEU   6   1.780  -7.605  -7.306
   26    HA   LEU   6           HA       LEU   6   0.834  -5.204  -8.558
   27   1HB   LEU   6          1HB       LEU   6   0.730  -5.925  -5.608
   28   2HB   LEU   6          2HB       LEU   6  -0.229  -4.718  -6.464
   29    HG   LEU   6           HG       LEU   6  -0.727  -7.052  -7.936
   30   1HD1  LEU   6          2HD1      LEU   6   0.416  -8.398  -6.162
   31   2HD1  LEU   6          3HD1      LEU   6  -0.698  -7.735  -4.952
   32   3HD1  LEU   6          1HD1      LEU   6  -1.305  -8.766  -6.263
   33   1HD2  LEU   6          3HD2      LEU   6  -2.328  -5.903  -5.617
   34   2HD2  LEU   6          1HD2      LEU   6  -2.380  -5.350  -7.305
   35   3HD2  LEU   6          2HD2      LEU   6  -2.948  -6.976  -6.895
   36    H    TYR   7           H        TYR   7   3.114  -5.845  -5.871
   37    HA   TYR   7           HA       TYR   7   3.675  -3.383  -4.980
   38   1HB   TYR   7          1HB       TYR   7   4.619  -5.403  -4.013
   39   2HB   TYR   7          2HB       TYR   7   5.700  -5.594  -5.397
   40    HD1  TYR   7           HD1      TYR   7   4.679  -2.965  -2.897
   41    HD2  TYR   7           HD2      TYR   7   7.871  -4.640  -5.262
   42    HE1  TYR   7           HE1      TYR   7   6.160  -1.082  -2.255
   43    HE2  TYR   7           HE2      TYR   7   9.390  -2.868  -4.456
   44    HH   TYR   7           HH       TYR   7   9.563  -0.928  -3.266
   45    H    LYS   8           HN       LYS   8   5.181  -4.713  -7.989
   46    HA   LYS   8           HA       LYS   8   7.168  -2.910  -8.465
   47   1HB   LYS   8          1HB       LYS   8   5.179  -4.480 -10.150
   48   2HB   LYS   8          2HB       LYS   8   6.524  -3.593 -10.832
   49   1HG   LYS   8          2HG       LYS   8   8.169  -4.890  -9.657
   50   2HG   LYS   8          1HG       LYS   8   6.929  -5.661  -8.652
   51   1HD   LYS   8          2HD       LYS   8   5.962  -6.773 -10.617
   52   2HD   LYS   8          1HD       LYS   8   7.125  -5.966 -11.682
   53   1HE   LYS   8          2HE       LYS   8   7.779  -8.311 -11.169
   54   2HE   LYS   8          1HE       LYS   8   8.998  -7.144 -10.629
   55   1HZ   LYS   8          1HZ       LYS   8   6.946  -8.318  -8.884
   56   2HZ   LYS   8          2HZ       LYS   8   8.501  -8.866  -9.007
   57   3HZ   LYS   8          3HZ       LYS   8   8.196  -7.356  -8.426
   58    H    SER   9           H        SER   9   3.650  -2.481  -8.872
   59    HA   SER   9           HA       SER   9   3.811  -0.085 -10.461
   60   1HB   SER   9          1HB       SER   9   1.508  -0.750  -8.602
   61   2HB   SER   9          2HB       SER   9   1.482  -0.032 -10.221
   62    HG   SER   9           HG       SER   9   1.878  -2.723  -9.424
   63    H    CYS  10           H        CYS  10   3.692  -0.837  -7.010
   64    HA   CYS  10           HA       CYS  10   2.902   1.747  -6.052
   65   1HB   CYS  10          2HB       CYS  10   4.289  -0.385  -4.458
   66   2HB   CYS  10          1HB       CYS  10   3.129   0.774  -3.884
   67    H    ILE  11           H        ILE  11   5.928   0.111  -6.684
   68    HA   ILE  11           HA       ILE  11   7.795   1.678  -5.409
   69    HB   ILE  11           HB       ILE  11   7.810   0.582  -8.239
   70   1HG1  ILE  11          2HG1      ILE  11   9.065  -0.411  -5.633
   71   2HG1  ILE  11          1HG1      ILE  11   7.628  -1.086  -6.412
   72   1HG2  ILE  11          1HG2      ILE  11  10.186   1.694  -6.713
   73   2HG2  ILE  11          3HG2      ILE  11  10.274   0.815  -8.250
   74   3HG2  ILE  11          2HG2      ILE  11   9.481   2.371  -8.192
   75   1HD1  ILE  11          3HD1      ILE  11   9.108  -1.570  -8.448
   76   2HD1  ILE  11          2HD1      ILE  11  10.494  -1.233  -7.384
   77   3HD1  ILE  11          1HD1      ILE  11   9.382  -2.548  -6.991
   78    H    GLY  12           H        GLY  12   5.803   2.510  -8.244
   79   1HA   GLY  12          1HA       GLY  12   6.975   4.768  -9.277
   80   2HA   GLY  12          2HA       GLY  12   5.230   4.506  -9.135
   81    H    CYS  13           H        CYS  13   5.110   4.542  -6.179
   82    HA   CYS  13           HA       CYS  13   5.620   7.491  -5.759
   83   1HB   CYS  13          2HB       CYS  13   3.416   5.673  -4.848
   84   2HB   CYS  13          1HB       CYS  13   3.811   7.165  -4.000
   85    H    HIS  14           HN       HIS  14   5.933   4.205  -4.399
   86    HA   HIS  14           HA       HIS  14   6.988   5.355  -1.878
   87   1HB   HIS  14          2HB       HIS  14   6.149   2.549  -2.659
   88   2HB   HIS  14          1HB       HIS  14   6.670   3.089  -1.047
   89    HD1  HIS  14           HD1      HIS  14   5.347   5.337  -0.148
   90    HD2  HIS  14           HD2      HIS  14   3.372   2.850  -2.867
   91    HE1  HIS  14           HE1      HIS  14   2.899   5.609   0.284
   92    H    GLY  15           H        GLY  15   8.471   4.330  -4.757
   93   1HA   GLY  15          1HA       GLY  15  10.732   4.144  -5.107
   94   2HA   GLY  15          2HA       GLY  15  11.063   4.276  -3.380
   95    H    ALA  16           H        ALA  16  12.517   2.617  -4.884
   96    HA   ALA  16           HA       ALA  16  11.796   0.073  -5.532
   97   1HB   ALA  16          3HB       ALA  16  14.037   1.001  -5.887
   98   2HB   ALA  16          2HB       ALA  16  14.371   0.931  -4.142
   99   3HB   ALA  16          1HB       ALA  16  14.134  -0.568  -5.065
  100    H    ASP  17           HN       ASP  17  12.876   1.065  -2.244
  101    HA   ASP  17           HA       ASP  17  11.805  -1.487  -1.147
  102   1HB   ASP  17          1HB       ASP  17  13.285  -1.177   0.636
  103   2HB   ASP  17          2HB       ASP  17  14.219  -1.113  -0.867
  104    H    GLY  18           H        GLY  18   9.888   0.431  -1.684
  105   1HA   GLY  18          1HA       GLY  18   8.203   1.651  -0.840
  106   2HA   GLY  18          2HA       GLY  18   8.284   0.499   0.487
  107    H    SER  19           H        SER  19  10.829   2.888  -0.159
  108    HA   SER  19           HA       SER  19  10.824   3.675   2.633
  109   1HB   SER  19          1HB       SER  19  12.945   4.853   1.708
  110   2HB   SER  19          2HB       SER  19  12.878   3.080   1.679
  111    HG   SER  19           HG       SER  19  13.313   3.372  -0.374
  112    H    LYS  20           HN       LYS  20  10.950   5.503  -0.447
  113    HA   LYS  20           HA       LYS  20  10.746   7.995   0.834
  114   1HB   LYS  20          1HB       LYS  20  10.272   8.992  -1.322
  115   2HB   LYS  20          2HB       LYS  20  11.616   7.840  -1.408
  116   1HG   LYS  20          1HG       LYS  20  10.208   6.166  -2.394
  117   2HG   LYS  20          2HG       LYS  20   8.761   7.162  -2.227
  118   1HD   LYS  20          2HD       LYS  20  11.173   7.710  -4.015
  119   2HD   LYS  20          1HD       LYS  20   9.571   7.165  -4.526
  120   1HE   LYS  20          1HE       LYS  20  10.309   9.904  -3.406
  121   2HE   LYS  20          2HE       LYS  20   9.721   9.496  -5.019
  122   1HZ   LYS  20          2HZ       LYS  20   7.657   8.742  -3.922
  123   2HZ   LYS  20          1HZ       LYS  20   8.198   9.381  -2.510
  124   3HZ   LYS  20          3HZ       LYS  20   7.948  10.364  -3.799
  125    H    ALA  21           H        ALA  21   9.188   9.484   1.244
  126    HA   ALA  21           HA       ALA  21   6.520   8.542   1.836
  127   1HB   ALA  21          3HB       ALA  21   7.624  10.327   3.146
  128   2HB   ALA  21          2HB       ALA  21   7.660  11.371   1.703
  129   3HB   ALA  21          1HB       ALA  21   6.109  10.895   2.425
  130    H    ALA  22           H        ALA  22   4.632   8.999   0.655
  131    HA   ALA  22           HA       ALA  22   5.015   9.448  -2.245
  132   1HB   ALA  22          1HB       ALA  22   3.839   7.466  -1.460
  133   2HB   ALA  22          2HB       ALA  22   2.643   8.475  -0.619
  134   3HB   ALA  22          3HB       ALA  22   2.777   8.515  -2.398
  135    H    MET  23           H        MET  23   1.928  10.244  -1.830
  136    HA   MET  23           HA       MET  23   2.353  13.035  -2.358
  137   1HB   MET  23          2HB       MET  23  -0.254  11.609  -1.674
  138   2HB   MET  23          1HB       MET  23  -0.069  13.181  -2.451
  139   1HG   MET  23          1HG       MET  23   0.648  10.452  -3.558
  140   2HG   MET  23          2HG       MET  23  -0.626  11.524  -4.108
  141   1HE   MET  23          2HE       MET  23  -0.273  13.691  -5.470
  142   2HE   MET  23          1HE       MET  23   0.887  14.384  -4.307
  143   3HE   MET  23          3HE       MET  23   1.305  14.292  -6.031
  144    H    GLY  24           H        GLY  24   3.663  13.403  -0.345
  145   1HA   GLY  24          1HA       GLY  24   3.567  15.075   1.366
  146   2HA   GLY  24          2HA       GLY  24   1.887  14.650   1.716
  147    H    SER  25           H        SER  25   2.624  14.584   3.962
  148    HA   SER  25           HA       SER  25   4.581  12.942   5.039
  149   1HB   SER  25          1HB       SER  25   1.995  13.850   6.357
  150   2HB   SER  25          2HB       SER  25   3.571  13.564   7.121
  151    HG   SER  25           HG       SER  25   4.369  15.328   5.847
  152    H    ALA  26           H        ALA  26   4.078  10.979   3.666
  153    HA   ALA  26           HA       ALA  26   1.969   9.188   4.671
  154   1HB   ALA  26          1HB       ALA  26   4.195   8.891   2.616
  155   2HB   ALA  26          3HB       ALA  26   2.981   7.650   2.923
  156   3HB   ALA  26          2HB       ALA  26   2.488   9.217   2.253
  157    H    LYS  27           HN       LYS  27   2.393   7.460   6.215
  158    HA   LYS  27           HA       LYS  27   5.034   7.431   7.445
  159   1HB   LYS  27          1HB       LYS  27   3.204   5.022   7.649
  160   2HB   LYS  27          2HB       LYS  27   4.396   5.637   8.758
  161   1HG   LYS  27          2HG       LYS  27   1.671   6.895   8.235
  162   2HG   LYS  27          1HG       LYS  27   2.148   5.892   9.574
  163   1HD   LYS  27          2HD       LYS  27   2.223   7.992  10.511
  164   2HD   LYS  27          1HD       LYS  27   3.916   7.622  10.198
  165   1HE   LYS  27          1HE       LYS  27   3.323   9.972   9.699
  166   2HE   LYS  27          2HE       LYS  27   3.890   9.165   8.248
  167   1HZ   LYS  27          2HZ       LYS  27   1.557   8.855   7.640
  168   2HZ   LYS  27          1HZ       LYS  27   1.093   9.698   8.975
  169   3HZ   LYS  27          3HZ       LYS  27   1.963  10.436   7.781
  170    HA   PRO  28           HA       PRO  28   6.815   5.380   3.986
  171   1HB   PRO  28          2HB       PRO  28   9.003   4.039   5.086
  172   2HB   PRO  28          1HB       PRO  28   8.953   5.812   4.856
  173   1HG   PRO  28          1HG       PRO  28   8.278   4.274   7.375
  174   2HG   PRO  28          2HG       PRO  28   9.365   5.687   7.215
  175   1HD   PRO  28          2HD       PRO  28   6.795   5.979   8.018
  176   2HD   PRO  28          1HD       PRO  28   7.505   7.165   6.878
  177    H    VAL  29           H        VAL  29   6.625   3.361   2.952
  178    HA   VAL  29           HA       VAL  29   4.691   1.690   4.363
  179    HB   VAL  29           HB       VAL  29   5.746   1.254   1.553
  180   1HG1  VAL  29          3HG1      VAL  29   3.130   0.619   3.007
  181   2HG1  VAL  29          1HG1      VAL  29   3.431   0.330   1.293
  182   3HG1  VAL  29          2HG1      VAL  29   4.367  -0.562   2.513
  183   1HG2  VAL  29          3HG2      VAL  29   3.564   3.124   2.583
  184   2HG2  VAL  29          1HG2      VAL  29   4.990   3.566   1.626
  185   3HG2  VAL  29          2HG2      VAL  29   3.703   2.585   0.897
  186    H    LYS  30           HN       LYS  30   8.013   1.519   3.235
  187    HA   LYS  30           HA       LYS  30   8.869  -0.965   3.202
  188   1HB   LYS  30          2HB       LYS  30  10.274   1.064   3.122
  189   2HB   LYS  30          1HB       LYS  30  10.298   1.135   4.877
  190   1HG   LYS  30          1HG       LYS  30  11.204  -1.260   4.877
  191   2HG   LYS  30          2HG       LYS  30  11.302  -1.169   3.118
  192   1HD   LYS  30          1HD       LYS  30  12.805   0.854   3.387
  193   2HD   LYS  30          2HD       LYS  30  12.800   0.556   5.139
  194   1HE   LYS  30          2HE       LYS  30  13.825  -1.300   2.935
  195   2HE   LYS  30          1HE       LYS  30  14.797  -0.455   4.149
  196   1HZ   LYS  30          2HZ       LYS  30  13.620  -1.819   5.811
  197   2HZ   LYS  30          1HZ       LYS  30  12.877  -2.643   4.580
  198   3HZ   LYS  30          3HZ       LYS  30  14.503  -2.709   4.734
  199    H    GLY  31           H        GLY  31   7.817  -2.500   4.528
  200   1HA   GLY  31          2HA       GLY  31   6.899  -3.491   6.306
  201   2HA   GLY  31          1HA       GLY  31   8.574  -3.441   6.889
  202    H    GLN  32           H        GLN  32   5.985  -0.866   6.644
  203    HA   GLN  32           HA       GLN  32   6.580   0.050   9.253
  204   1HB   GLN  32          1HB       GLN  32   4.425   1.245   9.368
  205   2HB   GLN  32          2HB       GLN  32   5.478   1.616   8.007
  206   1HG   GLN  32          1HG       GLN  32   4.123   0.189   6.556
  207   2HG   GLN  32          2HG       GLN  32   3.037  -0.143   7.924
  208   1HE2  GLN  32          1HE2      GLN  32   2.633   3.573   6.195
  209   2HE2  GLN  32          2HE2      GLN  32   4.249   2.842   6.214
  210    H    GLY  33           H        GLY  33   4.604  -2.499   8.303
  211   1HA   GLY  33          2HA       GLY  33   5.176  -4.330  10.235
  212   2HA   GLY  33          1HA       GLY  33   3.793  -3.467  10.942
  213    H    ALA  34           H        ALA  34   4.204  -6.327   9.385
  214    HA   ALA  34           HA       ALA  34   2.588  -6.147   7.060
  215   1HB   ALA  34          2HB       ALA  34   3.854  -8.212   7.640
  216   2HB   ALA  34          3HB       ALA  34   2.732  -8.511   8.983
  217   3HB   ALA  34          1HB       ALA  34   2.152  -8.531   7.304
  218    H    GLU  35           HN       GLU  35   1.636  -6.406  10.471
  219    HA   GLU  35           HA       GLU  35  -1.176  -6.767   9.955
  220   1HB   GLU  35          1HB       GLU  35  -1.347  -5.813  12.321
  221   2HB   GLU  35          2HB       GLU  35  -0.650  -7.417  12.097
  222   1HG   GLU  35          2HG       GLU  35   1.066  -4.927  12.471
  223   2HG   GLU  35          1HG       GLU  35   0.425  -5.862  13.809
  224    H    GLU  36           HN       GLU  36   0.801  -3.916  10.777
  225    HA   GLU  36           HA       GLU  36  -1.064  -1.829  10.660
  226   1HB   GLU  36          1HB       GLU  36   1.883  -2.101   9.913
  227   2HB   GLU  36          2HB       GLU  36   1.047  -0.621   9.536
  228   1HG   GLU  36          1HG       GLU  36   2.335  -0.571  11.597
  229   2HG   GLU  36          2HG       GLU  36   0.608  -0.191  11.837
  230    H    LEU  37           H        LEU  37   1.037  -3.025   8.023
  231    HA   LEU  37           HA       LEU  37   0.059  -1.631   5.883
  232   1HB   LEU  37          2HB       LEU  37   1.388  -4.322   6.401
  233   2HB   LEU  37          1HB       LEU  37   1.060  -3.801   4.811
  234    HG   LEU  37           HG       LEU  37   2.749  -2.171   6.742
  235   1HD1  LEU  37          1HD2      LEU  37   3.617  -4.047   4.503
  236   2HD1  LEU  37          2HD2      LEU  37   4.687  -2.980   5.432
  237   3HD1  LEU  37          3HD2      LEU  37   3.855  -4.313   6.241
  238   1HD2  LEU  37          1HD1      LEU  37   2.305  -1.956   3.746
  239   2HD2  LEU  37          2HD1      LEU  37   1.847  -0.753   4.981
  240   3HD2  LEU  37          3HD1      LEU  37   3.545  -1.078   4.657
  241    H    TYR  38           HN       TYR  38  -0.741  -5.102   6.640
  242    HA   TYR  38           HA       TYR  38  -2.702  -5.435   4.805
  243   1HB   TYR  38          2HB       TYR  38  -1.913  -7.266   6.132
  244   2HB   TYR  38          1HB       TYR  38  -2.606  -6.558   7.594
  245    HD1  TYR  38           HD1      TYR  38  -4.056  -7.072   4.114
  246    HD2  TYR  38           HE2      TYR  38  -4.337  -7.968   8.332
  247    HE1  TYR  38           HD2      TYR  38  -6.268  -8.098   3.754
  248    HE2  TYR  38           HE1      TYR  38  -6.498  -9.096   7.937
  249    HH   TYR  38           HH       TYR  38  -8.085  -9.704   6.380
  250    H    LYS  39           HN       LYS  39  -3.216  -4.133   8.088
  251    HA   LYS  39           HA       LYS  39  -6.033  -3.751   7.793
  252   1HB   LYS  39          1HB       LYS  39  -3.954  -2.362   9.537
  253   2HB   LYS  39          2HB       LYS  39  -5.664  -1.993   9.637
  254   1HG   LYS  39          2HG       LYS  39  -4.382  -4.727  10.120
  255   2HG   LYS  39          1HG       LYS  39  -4.913  -3.611  11.368
  256   1HD   LYS  39          2HD       LYS  39  -6.639  -5.177   9.396
  257   2HD   LYS  39          1HD       LYS  39  -6.547  -5.366  11.140
  258   1HE   LYS  39          1HE       LYS  39  -7.738  -2.983   9.644
  259   2HE   LYS  39          2HE       LYS  39  -8.607  -4.219  10.554
  260   1HZ   LYS  39          2HZ       LYS  39  -7.508  -3.467  12.537
  261   2HZ   LYS  39          3HZ       LYS  39  -6.704  -2.300  11.694
  262   3HZ   LYS  39          1HZ       LYS  39  -8.345  -2.238  11.826
  263    H    LYS  40           HN       LYS  40  -3.313  -1.390   7.090
  264    HA   LYS  40           HA       LYS  40  -5.143   0.623   6.264
  265   1HB   LYS  40          1HB       LYS  40  -2.180   0.131   5.739
  266   2HB   LYS  40          2HB       LYS  40  -3.092   1.568   5.342
  267   1HG   LYS  40          1HG       LYS  40  -2.384   0.555   8.103
  268   2HG   LYS  40          2HG       LYS  40  -1.935   2.063   7.345
  269   1HD   LYS  40          2HD       LYS  40  -4.468   2.660   7.435
  270   2HD   LYS  40          1HD       LYS  40  -4.649   1.209   8.428
  271   1HE   LYS  40          1HE       LYS  40  -4.445   3.062   9.923
  272   2HE   LYS  40          2HE       LYS  40  -2.929   2.151  10.019
  273   1HZ   LYS  40          3HZ       LYS  40  -1.970   3.793   8.516
  274   2HZ   LYS  40          2HZ       LYS  40  -3.386   4.623   8.483
  275   3HZ   LYS  40          1HZ       LYS  40  -2.546   4.492   9.891
  276    H    MET  41           H        MET  41  -3.253  -1.806   4.235
  277    HA   MET  41           HA       MET  41  -4.393  -0.772   1.834
  278   1HB   MET  41          1HB       MET  41  -4.041  -3.196   0.945
  279   2HB   MET  41          2HB       MET  41  -2.747  -2.032   1.149
  280   1HG   MET  41          2HG       MET  41  -3.160  -3.901   3.402
  281   2HG   MET  41          1HG       MET  41  -2.509  -4.643   1.927
  282   1HE   MET  41          2HE       MET  41  -1.031  -3.587   0.422
  283   2HE   MET  41          3HE       MET  41  -0.238  -2.051   0.823
  284   3HE   MET  41          1HE       MET  41   0.632  -3.588   1.068
  285    H    LYS  42           HN       LYS  42  -5.683  -3.268   4.119
  286    HA   LYS  42           HA       LYS  42  -7.960  -3.805   2.466
  287   1HB   LYS  42          2HB       LYS  42  -7.214  -5.277   4.282
  288   2HB   LYS  42          1HB       LYS  42  -7.685  -4.063   5.489
  289   1HG   LYS  42          2HG       LYS  42 -10.021  -4.248   4.861
  290   2HG   LYS  42          1HG       LYS  42  -9.614  -5.191   3.412
  291   1HD   LYS  42          1HD       LYS  42  -8.863  -7.073   4.755
  292   2HD   LYS  42          2HD       LYS  42  -9.054  -6.144   6.253
  293   1HE   LYS  42          2HE       LYS  42 -10.930  -7.712   5.918
  294   2HE   LYS  42          1HE       LYS  42 -11.494  -6.032   5.912
  295   1HZ   LYS  42          2HZ       LYS  42 -10.982  -7.656   3.508
  296   2HZ   LYS  42          1HZ       LYS  42 -12.464  -7.351   4.164
  297   3HZ   LYS  42          3HZ       LYS  42 -11.572  -6.118   3.539
  298    H    GLY  43           H        GLY  43  -7.352  -1.452   5.085
  299   1HA   GLY  43          2HA       GLY  43  -9.791  -0.170   5.403
  300   2HA   GLY  43          1HA       GLY  43  -8.203   0.605   5.484
  301    H    TYR  44           H        TYR  44  -7.181   0.627   3.094
  302    HA   TYR  44           HA       TYR  44  -8.583   2.669   1.677
  303   1HB   TYR  44          1HB       TYR  44  -6.283   0.838   0.965
  304   2HB   TYR  44          2HB       TYR  44  -6.850   2.132  -0.095
  305    HD1  TYR  44           HD2      TYR  44  -7.195   4.478   1.588
  306    HD2  TYR  44           HD1      TYR  44  -4.097   1.478   1.533
  307    HE1  TYR  44           HE2      TYR  44  -5.578   6.100   2.484
  308    HE2  TYR  44           HE1      TYR  44  -2.440   3.200   2.161
  309    HH   TYR  44           HH       TYR  44  -2.057   5.410   2.551
  310    H    ALA  45           H        ALA  45  -7.982  -0.786   0.786
  311    HA   ALA  45           HA       ALA  45  -9.381  -0.729  -1.623
  312   1HB   ALA  45          3HB       ALA  45  -7.934  -2.582  -0.916
  313   2HB   ALA  45          2HB       ALA  45  -9.115  -3.044   0.334
  314   3HB   ALA  45          1HB       ALA  45  -9.537  -3.180  -1.388
  315    H    ASP  46           HN       ASP  46 -10.653  -1.431   1.636
  316    HA   ASP  46           HA       ASP  46 -13.373  -1.900   0.817
  317   1HB   ASP  46          2HB       ASP  46 -12.522  -2.719   2.945
  318   2HB   ASP  46          1HB       ASP  46 -12.113  -1.079   3.466
  319    H    GLY  47           H        GLY  47 -11.536   0.985   1.868
  320   1HA   GLY  47          1HA       GLY  47 -12.009   3.147   1.025
  321   2HA   GLY  47          2HA       GLY  47 -13.732   2.771   0.910
  322    H    SER  48           H        SER  48 -12.124   1.610   3.803
  323    HA   SER  48           HA       SER  48 -13.637   3.462   5.494
  324   1HB   SER  48          2HB       SER  48 -11.809   1.916   7.012
  325   2HB   SER  48          1HB       SER  48 -13.546   1.643   6.817
  326    HG   SER  48           HG       SER  48 -13.139   0.277   5.120
  327    H    TYR  49           H        TYR  49 -10.346   2.810   4.371
  328    HA   TYR  49           HA       TYR  49  -9.324   5.187   5.846
  329   1HB   TYR  49          2HB       TYR  49  -8.106   2.922   6.112
  330   2HB   TYR  49          1HB       TYR  49  -7.764   3.027   4.393
  331    HD1  TYR  49           HD1      TYR  49  -7.551   5.954   6.776
  332    HD2  TYR  49           HD2      TYR  49  -5.394   2.915   4.589
  333    HE1  TYR  49           HE1      TYR  49  -5.433   7.082   7.282
  334    HE2  TYR  49           HE2      TYR  49  -3.264   4.033   5.170
  335    HH   TYR  49           HH       TYR  49  -2.259   5.672   6.524
  336    H    GLY  50           H        GLY  50  -8.236   6.843   4.541
  337   1HA   GLY  50          2HA       GLY  50  -7.501   7.010   1.989
  338   2HA   GLY  50          1HA       GLY  50  -9.237   6.979   1.779
  339    H    GLY  51           H        GLY  51  -9.140   9.193   1.010
  340   1HA   GLY  51          1HA       GLY  51 -10.074  11.272   1.861
  341   2HA   GLY  51          2HA       GLY  51  -8.908  11.257   3.181
  342    H    GLU  52           HN       GLU  52  -9.581  12.768   0.410
  343    HA   GLU  52           HA       GLU  52  -8.495  13.731  -1.322
  344   1HB   GLU  52          1HB       GLU  52  -7.001  14.967   1.029
  345   2HB   GLU  52          2HB       GLU  52  -7.429  15.710  -0.522
  346   1HG   GLU  52          1HG       GLU  52  -9.265  14.888   1.768
  347   2HG   GLU  52          2HG       GLU  52  -8.956  16.509   1.153
  348    H    ARG  53           HN       ARG  53  -5.462  13.803   0.580
  349    HA   ARG  53           HA       ARG  53  -3.793  13.439  -1.594
  350   1HB   ARG  53          1HB       ARG  53  -2.112  13.080   0.077
  351   2HB   ARG  53          2HB       ARG  53  -3.198  14.350   0.625
  352   1HG   ARG  53          1HG       ARG  53  -4.392  12.592   2.060
  353   2HG   ARG  53          2HG       ARG  53  -3.117  11.456   1.573
  354   1HD   ARG  53          1HD       ARG  53  -2.548  14.058   3.019
  355   2HD   ARG  53          2HD       ARG  53  -2.771  12.481   3.795
  356    HE   ARG  53           HE       ARG  53  -0.736  12.913   1.638
  357   1HH1  ARG  53          1HH1      ARG  53  -1.238  11.978   5.046
  358   2HH1  ARG  53          2HH1      ARG  53   0.308  11.179   5.136
  359   1HH2  ARG  53          1HH2      ARG  53   1.011  11.728   1.697
  360   2HH2  ARG  53          2HH2      ARG  53   1.560  10.877   3.127
  361    H    LYS  54           HN       LYS  54  -5.449  11.041   0.382
  362    HA   LYS  54           HA       LYS  54  -3.893   8.760  -0.647
  363   1HB   LYS  54          1HB       LYS  54  -6.343   8.689   1.084
  364   2HB   LYS  54          2HB       LYS  54  -5.033   7.496   0.908
  365   1HG   LYS  54          2HG       LYS  54  -3.480   9.247   1.898
  366   2HG   LYS  54          1HG       LYS  54  -4.923  10.233   2.208
  367   1HD   LYS  54          2HD       LYS  54  -5.784   8.111   3.520
  368   2HD   LYS  54          1HD       LYS  54  -4.065   7.692   3.563
  369   1HE   LYS  54          1HE       LYS  54  -4.566   8.878   5.566
  370   2HE   LYS  54          2HE       LYS  54  -3.621   9.980   4.557
  371   1HZ   LYS  54          2HZ       LYS  54  -6.566   9.953   4.764
  372   2HZ   LYS  54          3HZ       LYS  54  -5.575  10.997   5.576
  373   3HZ   LYS  54          1HZ       LYS  54  -5.670  11.051   3.931
  374    H    ALA  55           H        ALA  55  -6.241  10.592  -2.116
  375    HA   ALA  55           HA       ALA  55  -8.242   8.707  -2.784
  376   1HB   ALA  55          3HB       ALA  55  -7.231  11.079  -4.414
  377   2HB   ALA  55          1HB       ALA  55  -8.746  10.196  -4.703
  378   3HB   ALA  55          2HB       ALA  55  -8.523  11.097  -3.192
  379    H    MET  56           H        MET  56  -5.395   9.605  -4.816
  380    HA   MET  56           HA       MET  56  -5.861   7.664  -6.815
  381   1HB   MET  56          1HB       MET  56  -4.334   9.584  -7.045
  382   2HB   MET  56          2HB       MET  56  -3.206   8.855  -5.887
  383   1HG   MET  56          2HG       MET  56  -2.815   6.973  -7.396
  384   2HG   MET  56          1HG       MET  56  -4.086   7.540  -8.492
  385   1HE   MET  56          1HE       MET  56  -2.348   7.138 -10.453
  386   2HE   MET  56          2HE       MET  56  -0.753   7.924 -10.524
  387   3HE   MET  56          3HE       MET  56  -1.079   6.690  -9.284
  388    H    MET  57           H        MET  57  -3.942   7.529  -3.851
  389    HA   MET  57           HA       MET  57  -2.837   4.966  -3.954
  390   1HB   MET  57          2HB       MET  57  -2.216   6.584  -2.292
  391   2HB   MET  57          1HB       MET  57  -3.855   6.725  -1.681
  392   1HG   MET  57          2HG       MET  57  -2.434   5.456  -0.156
  393   2HG   MET  57          1HG       MET  57  -3.817   4.532  -0.733
  394   1HE   MET  57          1HE       MET  57  -3.658   2.301  -1.159
  395   2HE   MET  57          2HE       MET  57  -2.264   1.348  -1.686
  396   3HE   MET  57          3HE       MET  57  -2.333   1.948  -0.016
  397    H    THR  58           H        THR  58  -5.968   6.006  -2.555
  398    HA   THR  58           HA       THR  58  -6.947   3.479  -1.806
  399    HB   THR  58           HB       THR  58  -8.442   6.011  -2.614
  400    HG1  THR  58           HG1      THR  58  -7.087   6.214  -0.819
  401   1HG2  THR  58          1HG2      THR  58  -9.419   3.550  -1.142
  402   2HG2  THR  58          2HG2      THR  58 -10.298   5.084  -1.260
  403   3HG2  THR  58          3HG2      THR  58 -10.001   4.126  -2.722
  404    H    ASN  59           H        ASN  59  -7.545   5.340  -4.845
  405    HA   ASN  59           HA       ASN  59  -9.136   3.375  -6.097
  406   1HB   ASN  59          1HB       ASN  59  -8.793   5.718  -6.873
  407   2HB   ASN  59          2HB       ASN  59  -7.180   5.280  -7.438
  408   1HD2  ASN  59          1HD2      ASN  59  -9.330   3.029  -9.858
  409   2HD2  ASN  59          2HD2      ASN  59  -8.750   2.435  -8.315
  410    H    ALA  60           H        ALA  60  -5.544   3.742  -6.048
  411    HA   ALA  60           HA       ALA  60  -5.003   1.742  -7.988
  412   1HB   ALA  60          3HB       ALA  60  -3.340   3.390  -7.234
  413   2HB   ALA  60          1HB       ALA  60  -3.279   2.631  -5.631
  414   3HB   ALA  60          2HB       ALA  60  -2.736   1.731  -7.060
  415    H    VAL  61           H        VAL  61  -4.884   1.464  -4.377
  416    HA   VAL  61           HA       VAL  61  -4.510  -1.380  -4.550
  417    HB   VAL  61           HB       VAL  61  -3.751  -0.003  -2.699
  418   1HG1  VAL  61          2HG1      VAL  61  -5.778   1.436  -2.411
  419   2HG1  VAL  61          1HG1      VAL  61  -6.659   0.040  -1.766
  420   3HG1  VAL  61          3HG1      VAL  61  -5.220   0.659  -0.925
  421   1HG2  VAL  61          3HG2      VAL  61  -3.987  -2.459  -2.467
  422   2HG2  VAL  61          1HG2      VAL  61  -4.179  -1.587  -0.934
  423   3HG2  VAL  61          2HG2      VAL  61  -5.610  -2.211  -1.774
  424    H    LYS  62           HN       LYS  62  -7.481   0.602  -4.402
  425    HA   LYS  62           HA       LYS  62  -9.284  -1.465  -3.720
  426   1HB   LYS  62          2HB       LYS  62  -9.819   0.921  -3.731
  427   2HB   LYS  62          1HB       LYS  62  -9.693   0.971  -5.497
  428   1HG   LYS  62          1HG       LYS  62 -11.597  -0.508  -5.733
  429   2HG   LYS  62          2HG       LYS  62 -11.703  -0.773  -3.990
  430   1HD   LYS  62          1HD       LYS  62 -11.859   2.069  -5.035
  431   2HD   LYS  62          2HD       LYS  62 -13.230   0.997  -5.321
  432   1HE   LYS  62          2HE       LYS  62 -13.587   2.305  -3.293
  433   2HE   LYS  62          1HE       LYS  62 -13.523   0.573  -2.937
  434   1HZ   LYS  62          1HZ       LYS  62 -11.260   2.407  -2.572
  435   2HZ   LYS  62          3HZ       LYS  62 -12.297   1.936  -1.379
  436   3HZ   LYS  62          2HZ       LYS  62 -11.356   0.821  -2.119
  437    H    LYS  63           HN       LYS  63  -7.478  -1.016  -6.740
  438    HA   LYS  63           HA       LYS  63  -9.315  -2.639  -8.266
  439   1HB   LYS  63          1HB       LYS  63  -6.936  -0.995  -8.719
  440   2HB   LYS  63          2HB       LYS  63  -6.804  -2.543  -9.511
  441   1HG   LYS  63          1HG       LYS  63  -7.855  -0.872 -10.970
  442   2HG   LYS  63          2HG       LYS  63  -9.012  -2.165 -10.610
  443   1HD   LYS  63          1HD       LYS  63 -10.110  -0.726  -8.894
  444   2HD   LYS  63          2HD       LYS  63  -8.868   0.502  -9.129
  445   1HE   LYS  63          2HE       LYS  63  -9.643   0.906 -11.424
  446   2HE   LYS  63          1HE       LYS  63 -10.749  -0.477 -11.333
  447   1HZ   LYS  63          1HZ       LYS  63 -10.957   1.927  -9.661
  448   2HZ   LYS  63          2HZ       LYS  63 -11.868   1.599 -10.995
  449   3HZ   LYS  63          3HZ       LYS  63 -11.982   0.640  -9.662
  450    H    ALA  64           H        ALA  64  -7.088  -3.418  -5.805
  451    HA   ALA  64           HA       ALA  64  -6.394  -6.123  -6.873
  452   1HB   ALA  64          3HB       ALA  64  -4.646  -4.624  -5.893
  453   2HB   ALA  64          1HB       ALA  64  -5.512  -4.693  -4.347
  454   3HB   ALA  64          2HB       ALA  64  -4.834  -6.169  -5.057
  455    H    SER  65           H        SER  65  -6.460  -7.763  -4.885
  456    HA   SER  65           HA       SER  65  -9.164  -7.625  -3.608
  457   1HB   SER  65          2HB       SER  65  -9.190  -9.105  -5.635
  458   2HB   SER  65          1HB       SER  65  -7.907 -10.082  -4.894
  459    HG   SER  65           HG       SER  65 -10.572  -9.694  -4.012
  460    H    ASP  66           HN       ASP  66  -9.331  -8.955  -1.689
  461    HA   ASP  66           HA       ASP  66  -7.598  -8.398   0.301
  462   1HB   ASP  66          1HB       ASP  66  -9.310 -10.894   0.046
  463   2HB   ASP  66          2HB       ASP  66  -8.557 -10.325   1.544
  464    H    GLU  67           HN       GLU  67  -7.321 -11.363  -1.693
  465    HA   GLU  67           HA       GLU  67  -5.195 -12.542  -0.215
  466   1HB   GLU  67          2HB       GLU  67  -6.698 -13.505  -2.128
  467   2HB   GLU  67          1HB       GLU  67  -5.483 -12.829  -3.225
  468   1HG   GLU  67          2HG       GLU  67  -5.010 -14.842  -0.962
  469   2HG   GLU  67          1HG       GLU  67  -5.106 -15.226  -2.684
  470    H    GLU  68           HN       GLU  68  -5.226 -10.308  -2.942
  471    HA   GLU  68           HA       GLU  68  -2.405 -10.116  -3.379
  472   1HB   GLU  68          1HB       GLU  68  -4.460  -7.961  -3.872
  473   2HB   GLU  68          2HB       GLU  68  -2.951  -8.168  -4.694
  474   1HG   GLU  68          2HG       GLU  68  -5.308 -10.101  -4.972
  475   2HG   GLU  68          1HG       GLU  68  -4.932  -8.769  -6.075
  476    H    LEU  69           H        LEU  69  -4.811  -8.145  -1.402
  477    HA   LEU  69           HA       LEU  69  -3.061  -6.218  -0.486
  478   1HB   LEU  69          2HB       LEU  69  -5.400  -7.489   0.993
  479   2HB   LEU  69          1HB       LEU  69  -4.650  -5.928   1.195
  480    HG   LEU  69           HG       LEU  69  -6.405  -6.798  -1.073
  481   1HD1  LEU  69          2HD1      LEU  69  -7.362  -5.943   1.074
  482   2HD1  LEU  69          3HD1      LEU  69  -6.514  -4.409   0.751
  483   3HD1  LEU  69          1HD1      LEU  69  -7.769  -4.993  -0.371
  484   1HD2  LEU  69          3HD2      LEU  69  -4.649  -4.330  -0.938
  485   2HD2  LEU  69          2HD2      LEU  69  -4.611  -5.590  -2.190
  486   3HD2  LEU  69          1HD2      LEU  69  -6.027  -4.535  -2.044
  487    H    LYS  70           HN       LYS  70  -3.943  -9.371   1.057
  488    HA   LYS  70           HA       LYS  70  -2.262  -9.051   3.347
  489   1HB   LYS  70          2HB       LYS  70  -3.268 -11.516   1.864
  490   2HB   LYS  70          1HB       LYS  70  -2.305 -11.605   3.351
  491   1HG   LYS  70          1HG       LYS  70  -3.962 -10.206   4.531
  492   2HG   LYS  70          2HG       LYS  70  -4.998 -10.204   3.099
  493   1HD   LYS  70          2HD       LYS  70  -4.104 -12.649   4.716
  494   2HD   LYS  70          1HD       LYS  70  -5.684 -11.867   4.834
  495   1HE   LYS  70          2HE       LYS  70  -4.578 -13.297   2.368
  496   2HE   LYS  70          1HE       LYS  70  -5.821 -13.897   3.471
  497   1HZ   LYS  70          2HZ       LYS  70  -7.192 -12.037   2.850
  498   2HZ   LYS  70          3HZ       LYS  70  -6.040 -11.503   1.795
  499   3HZ   LYS  70          1HZ       LYS  70  -6.790 -12.948   1.535
  500    H    ALA  71           H        ALA  71  -1.661 -10.554   0.134
  501    HA   ALA  71           HA       ALA  71   1.034 -11.230   0.754
  502   1HB   ALA  71          2HB       ALA  71  -0.325 -12.255  -1.063
  503   2HB   ALA  71          3HB       ALA  71  -0.287 -10.719  -1.953
  504   3HB   ALA  71          1HB       ALA  71   1.223 -11.622  -1.674
  505    H    LEU  72           H        LEU  72  -0.355  -8.123  -0.463
  506    HA   LEU  72           HA       LEU  72   2.128  -7.037  -1.320
  507   1HB   LEU  72          2HB       LEU  72  -0.754  -6.351  -0.987
  508   2HB   LEU  72          1HB       LEU  72   0.271  -5.094  -0.526
  509    HG   LEU  72           HG       LEU  72   0.476  -6.522  -3.210
  510   1HD1  LEU  72          2HD2      LEU  72  -1.118  -4.073  -2.389
  511   2HD1  LEU  72          1HD2      LEU  72  -0.776  -4.500  -4.079
  512   3HD1  LEU  72          3HD2      LEU  72  -1.725  -5.594  -3.058
  513   1HD2  LEU  72          3HD1      LEU  72   1.619  -3.871  -2.227
  514   2HD2  LEU  72          1HD1      LEU  72   2.537  -5.308  -2.697
  515   3HD2  LEU  72          2HD1      LEU  72   1.632  -4.402  -3.916
  516    H    ALA  73           H        ALA  73   0.069  -6.734   1.640
  517    HA   ALA  73           HA       ALA  73   1.825  -5.253   3.216
  518   1HB   ALA  73          2HB       ALA  73  -0.484  -5.882   3.874
  519   2HB   ALA  73          1HB       ALA  73   0.016  -7.566   4.081
  520   3HB   ALA  73          3HB       ALA  73   0.687  -6.317   5.137
  521    H    ASP  74           HN       ASP  74   1.656  -8.866   2.952
  522    HA   ASP  74           HA       ASP  74   3.834  -9.451   4.604
  523   1HB   ASP  74          1HB       ASP  74   2.327 -11.175   3.742
  524   2HB   ASP  74          2HB       ASP  74   2.932 -10.916   2.096
  525    H    TYR  75           H        TYR  75   3.903  -8.940   1.018
  526    HA   TYR  75           HA       TYR  75   6.636  -9.295   0.612
  527   1HB   TYR  75          1HB       TYR  75   4.849  -9.017  -1.118
  528   2HB   TYR  75          2HB       TYR  75   4.796  -7.298  -0.792
  529    HD1  TYR  75           HD2      TYR  75   6.836  -5.855  -1.290
  530    HD2  TYR  75           HD1      TYR  75   6.567  -9.990  -2.497
  531    HE1  TYR  75           HE2      TYR  75   8.805  -5.564  -2.760
  532    HE2  TYR  75           HE1      TYR  75   8.460  -9.654  -4.053
  533    HH   TYR  75           HH       TYR  75  10.074  -8.187  -4.815
  534    H    MET  76           H        MET  76   4.913  -6.191   1.156
  535    HA   MET  76           HA       MET  76   7.349  -4.658   1.357
  536   1HB   MET  76          1HB       MET  76   4.478  -4.074   2.159
  537   2HB   MET  76          2HB       MET  76   5.810  -2.919   2.334
  538   1HG   MET  76          1HG       MET  76   6.358  -3.287  -0.123
  539   2HG   MET  76          2HG       MET  76   4.872  -4.227  -0.264
  540   1HE   MET  76          2HE       MET  76   2.531  -3.228  -0.129
  541   2HE   MET  76          1HE       MET  76   2.834  -2.541   1.490
  542   3HE   MET  76          3HE       MET  76   2.164  -1.512   0.204
  543    H    SER  77           H        SER  77   5.644  -6.569   3.730
  544    HA   SER  77           HA       SER  77   7.266  -5.521   5.952
  545   1HB   SER  77          2HB       SER  77   4.903  -6.383   6.202
  546   2HB   SER  77          1HB       SER  77   5.549  -8.007   5.886
  547    HG   SER  77           HG       SER  77   7.039  -7.551   7.649
  548    H    LYS  78           HN       LYS  78   8.372  -7.066   3.361
  549    HA   LYS  78           HA       LYS  78  10.511  -8.419   4.865
  550   1HB   LYS  78          1HB       LYS  78   8.602 -10.026   4.237
  551   2HB   LYS  78          2HB       LYS  78   8.969  -9.679   2.542
  552   1HG   LYS  78          1HG       LYS  78  11.356 -10.478   3.038
  553   2HG   LYS  78          2HG       LYS  78  10.774 -10.995   4.625
  554   1HD   LYS  78          1HD       LYS  78   9.853 -11.949   1.873
  555   2HD   LYS  78          2HD       LYS  78  10.762 -12.885   3.063
  556   1HE   LYS  78          1HE       LYS  78   7.848 -11.973   3.264
  557   2HE   LYS  78          2HE       LYS  78   8.443 -13.619   3.055
  558   1HZ   LYS  78          3HZ       LYS  78   9.459 -13.470   5.216
  559   2HZ   LYS  78          1HZ       LYS  78   8.892 -11.934   5.414
  560   3HZ   LYS  78          2HZ       LYS  78   7.835 -13.191   5.304
  561    H    LEU  79           H        LEU  79  10.640  -5.830   3.904
  562    HA   LEU  79           HA       LEU  79  12.140  -5.899   1.422
  563   1HB   LEU  79          2HB       LEU  79   9.695  -5.668   0.870
  564   2HB   LEU  79          1HB       LEU  79   9.575  -4.392   2.103
  565    HG   LEU  79           HG       LEU  79  11.163  -3.064   0.859
  566   1HD1  LEU  79          1HD1      LEU  79  10.866  -5.305  -1.207
  567   2HD1  LEU  79          3HD1      LEU  79  11.494  -3.706  -1.641
  568   3HD1  LEU  79          2HD1      LEU  79  12.376  -4.710  -0.482
  569   1HD2  LEU  79          3HD2      LEU  79   8.744  -2.712   0.615
  570   2HD2  LEU  79          2HD2      LEU  79   9.561  -2.377  -0.919
  571   3HD2  LEU  79          1HD2      LEU  79   8.686  -3.908  -0.705
  572    HHA  HEC   1           HHA      HEM   1   1.300   5.150   2.993
  573    HHB  HEC   1           HHB      HEM   1  -0.028  -0.380   0.123
  574    HHC  HEC   1           HHC      HEM   1   0.972   2.599  -5.463
  575    HHD  HEC   1           HHD      HEM   1   0.278   8.215  -2.431
  576   1HMA  HEC   1          1HMA      HEM   1  -0.971  -0.292   2.460
  577   2HMA  HEC   1          2HMA      HEM   1   0.759  -0.708   2.591
  578   3HMA  HEC   1          3HMA      HEM   1  -0.077   0.137   3.917
  579   1HAA  HEC   1          1HAA      HEM   1   1.280   1.838   4.760
  580   2HAA  HEC   1          2HAA      HEM   1   1.784   3.460   4.325
  581   1HBA  HEC   1          1HBA      HEM   1  -0.890   2.440   5.282
  582   2HBA  HEC   1          2HBA      HEM   1  -0.889   3.866   4.252
  583   1HMB  HEC   1          1HMB      HEM   1  -1.101  -1.686  -2.028
  584   2HMB  HEC   1          2HMB      HEM   1   0.163  -2.193  -3.169
  585   3HMB  HEC   1          3HMB      HEM   1   0.578  -1.925  -1.486
  586    HAB  HEC   1           HAB      HEM   1   0.849   0.548  -5.911
  587   1HBB  HEC   1          1HBB      HEM   1  -0.445  -1.348  -6.608
  588   2HBB  HEC   1          2HBB      HEM   1  -1.475  -0.187  -5.742
  589   3HBB  HEC   1          3HBB      HEM   1  -0.962  -1.685  -4.951
  590   1HMC  HEC   1          1HMC      HEM   1   0.205   4.312  -6.974
  591   2HMC  HEC   1          2HMC      HEM   1   0.848   5.933  -7.243
  592   3HMC  HEC   1          3HMC      HEM   1   1.960   4.603  -6.871
  593    HAC  HEC   1           HAC      HEM   1   1.565   8.494  -4.290
  594   1HBC  HEC   1          1HBC      HEM   1  -0.728   8.657  -5.154
  595   2HBC  HEC   1          2HBC      HEM   1  -0.202   7.904  -6.673
  596   3HBC  HEC   1          3HBC      HEM   1   0.436   9.491  -6.213
  597   1HMD  HEC   1          1HMD      HEM   1  -1.100   9.358  -0.826
  598   2HMD  HEC   1          2HMD      HEM   1   0.401   9.896  -0.029
  599   3HMD  HEC   1          3HMD      HEM   1  -1.072   9.634   0.918
  600   1HAD  HEC   1          1HAD      HEM   1  -0.043   8.760   2.906
  601   2HAD  HEC   1          2HAD      HEM   1  -1.432   7.717   2.902
  602   1HBD  HEC   1          1HBD      HEM   1   1.264   7.001   4.158
  603   2HBD  HEC   1          2HBD      HEM   1  -0.181   6.024   4.279
   
  No H/Q in entry =         603
  Start of MODEL   15
    1   1H    ALA   1          3H        ALA   1  -1.067 -15.761  -7.610
    2   2H    ALA   1          2H        ALA   1  -0.322 -17.095  -6.925
    3   3H    ALA   1          1H        ALA   1  -1.117 -15.971  -5.993
    4    HA   ALA   1           HA       ALA   1   1.114 -15.395  -5.753
    5   1HB   ALA   1          2HB       ALA   1   1.272 -15.571  -8.800
    6   2HB   ALA   1          3HB       ALA   1   2.574 -15.033  -7.720
    7   3HB   ALA   1          1HB       ALA   1   2.006 -16.711  -7.649
    8    H    ASP   2           HN       ASP   2   1.605 -13.097  -5.626
    9    HA   ASP   2           HA       ASP   2   0.635 -10.999  -7.153
   10   1HB   ASP   2          1HB       ASP   2  -1.346 -10.341  -5.557
   11   2HB   ASP   2          2HB       ASP   2  -1.621 -11.492  -6.834
   12    H    GLY   3           H        GLY   3   0.088  -9.211  -4.896
   13   1HA   GLY   3          1HA       GLY   3   1.155  -8.181  -3.094
   14   2HA   GLY   3          2HA       GLY   3   2.233  -9.561  -2.950
   15    H    ALA   4           H        ALA   4   3.646  -9.891  -4.881
   16    HA   ALA   4           HA       ALA   4   5.535  -7.725  -4.942
   17   1HB   ALA   4          1HB       ALA   4   6.201 -10.096  -5.126
   18   2HB   ALA   4          2HB       ALA   4   5.408 -10.211  -6.709
   19   3HB   ALA   4          3HB       ALA   4   6.813  -9.145  -6.493
   20    H    ALA   5           H        ALA   5   3.540  -9.092  -7.587
   21    HA   ALA   5           HA       ALA   5   4.229  -7.248  -9.590
   22   1HB   ALA   5          3HB       ALA   5   1.572  -8.676  -9.138
   23   2HB   ALA   5          2HB       ALA   5   2.090  -7.898 -10.649
   24   3HB   ALA   5          1HB       ALA   5   2.974  -9.307 -10.030
   25    H    LEU   6           H        LEU   6   1.593  -7.065  -7.168
   26    HA   LEU   6           HA       LEU   6   0.466  -4.622  -8.006
   27   1HB   LEU   6          1HB       LEU   6   0.546  -6.044  -5.326
   28   2HB   LEU   6          2HB       LEU   6  -0.304  -4.519  -5.616
   29    HG   LEU   6           HG       LEU   6  -1.629  -5.548  -7.406
   30   1HD1  LEU   6          2HD2      LEU   6  -0.224  -8.127  -6.639
   31   2HD1  LEU   6          3HD2      LEU   6  -1.795  -8.082  -7.459
   32   3HD1  LEU   6          1HD2      LEU   6  -0.386  -7.394  -8.255
   33   1HD2  LEU   6          1HD1      LEU   6  -2.435  -5.437  -5.045
   34   2HD2  LEU   6          3HD1      LEU   6  -3.097  -6.810  -5.928
   35   3HD2  LEU   6          2HD1      LEU   6  -1.761  -7.061  -4.766
   36    H    TYR   7           H        TYR   7   2.974  -5.260  -5.465
   37    HA   TYR   7           HA       TYR   7   3.374  -2.700  -4.557
   38   1HB   TYR   7          2HB       TYR   7   4.562  -4.687  -3.723
   39   2HB   TYR   7          1HB       TYR   7   5.589  -4.696  -5.139
   40    HD1  TYR   7           HD1      TYR   7   4.571  -2.462  -2.282
   41    HD2  TYR   7           HD2      TYR   7   7.536  -3.325  -5.292
   42    HE1  TYR   7           HE1      TYR   7   5.853  -0.448  -1.610
   43    HE2  TYR   7           HE2      TYR   7   8.841  -1.355  -4.571
   44    HH   TYR   7           HH       TYR   7   8.685   0.698  -3.423
   45    H    LYS   8           HN       LYS   8   4.822  -4.134  -7.434
   46    HA   LYS   8           HA       LYS   8   6.580  -2.121  -8.213
   47   1HB   LYS   8          2HB       LYS   8   4.828  -3.746 -10.081
   48   2HB   LYS   8          1HB       LYS   8   6.236  -2.793 -10.562
   49   1HG   LYS   8          2HG       LYS   8   7.708  -4.129  -9.119
   50   2HG   LYS   8          1HG       LYS   8   6.324  -5.076  -8.555
   51   1HD   LYS   8          1HD       LYS   8   5.903  -5.844 -10.898
   52   2HD   LYS   8          2HD       LYS   8   7.314  -4.920 -11.433
   53   1HE   LYS   8          2HE       LYS   8   7.945  -7.260 -11.158
   54   2HE   LYS   8          1HE       LYS   8   8.775  -6.283  -9.936
   55   1HZ   LYS   8          3HZ       LYS   8   7.098  -6.977  -8.359
   56   2HZ   LYS   8          2HZ       LYS   8   6.349  -7.888  -9.508
   57   3HZ   LYS   8          1HZ       LYS   8   7.871  -8.277  -9.012
   58    H    SER   9           H        SER   9   3.011  -2.091  -8.740
   59    HA   SER   9           HA       SER   9   3.001   0.280 -10.343
   60   1HB   SER   9          1HB       SER   9   0.789  -0.839  -8.581
   61   2HB   SER   9          2HB       SER   9   0.613   0.178 -10.024
   62    HG   SER   9           HG       SER   9   1.742  -1.622 -11.139
   63    H    CYS  10           H        CYS  10   3.591  -0.093  -6.993
   64    HA   CYS  10           HA       CYS  10   2.495   2.514  -6.166
   65   1HB   CYS  10          2HB       CYS  10   4.039   0.535  -4.529
   66   2HB   CYS  10          1HB       CYS  10   2.852   1.678  -3.957
   67    H    ILE  11           H        ILE  11   5.453   1.078  -7.205
   68    HA   ILE  11           HA       ILE  11   7.409   2.651  -5.889
   69    HB   ILE  11           HB       ILE  11   7.322   1.560  -8.712
   70   1HG1  ILE  11          2HG1      ILE  11   8.560   0.453  -6.138
   71   2HG1  ILE  11          1HG1      ILE  11   7.101  -0.164  -6.905
   72   1HG2  ILE  11          2HG2      ILE  11   9.742   2.536  -7.139
   73   2HG2  ILE  11          1HG2      ILE  11   9.811   1.695  -8.700
   74   3HG2  ILE  11          3HG2      ILE  11   9.071   3.270  -8.615
   75   1HD1  ILE  11          1HD1      ILE  11   8.505  -0.727  -8.942
   76   2HD1  ILE  11          2HD1      ILE  11   9.942  -0.366  -7.952
   77   3HD1  ILE  11          3HD1      ILE  11   8.848  -1.659  -7.468
   78    H    GLY  12           H        GLY  12   8.479   4.613  -6.665
   79   1HA   GLY  12          2HA       GLY  12   8.513   6.635  -7.882
   80   2HA   GLY  12          1HA       GLY  12   6.868   6.364  -8.476
   81    H    CYS  13           H        CYS  13   5.435   5.709  -6.060
   82    HA   CYS  13           HA       CYS  13   5.562   8.352  -4.689
   83   1HB   CYS  13          1HB       CYS  13   3.569   6.108  -4.896
   84   2HB   CYS  13          2HB       CYS  13   3.653   7.084  -3.439
   85    H    HIS  14           HN       HIS  14   5.649   4.809  -4.041
   86    HA   HIS  14           HA       HIS  14   6.747   5.212  -1.370
   87   1HB   HIS  14          1HB       HIS  14   5.925   2.889  -3.161
   88   2HB   HIS  14          2HB       HIS  14   6.722   2.640  -1.635
   89    HD1  HIS  14           HD1      HIS  14   5.541   3.842   0.519
   90    HD2  HIS  14           HD2      HIS  14   3.297   3.871  -2.993
   91    HE1  HIS  14           HE1      HIS  14   3.193   4.447   1.170
   92    H    GLY  15           H        GLY  15   7.952   4.426  -4.546
   93   1HA   GLY  15          2HA       GLY  15  10.189   4.693  -5.274
   94   2HA   GLY  15          1HA       GLY  15  10.721   4.825  -3.591
   95    H    ALA  16           H        ALA  16  12.422   3.353  -4.191
   96    HA   ALA  16           HA       ALA  16  12.213   0.869  -5.365
   97   1HB   ALA  16          1HB       ALA  16  14.332   2.004  -4.892
   98   2HB   ALA  16          2HB       ALA  16  14.112   1.743  -3.147
   99   3HB   ALA  16          3HB       ALA  16  14.346   0.357  -4.232
  100    H    ASP  17           HN       ASP  17  12.060   1.493  -1.792
  101    HA   ASP  17           HA       ASP  17  10.571  -1.051  -1.459
  102   1HB   ASP  17          1HB       ASP  17  12.247  -1.637   0.393
  103   2HB   ASP  17          2HB       ASP  17  12.756  -1.898  -1.273
  104    H    GLY  18           H        GLY  18   9.008   0.772  -1.178
  105   1HA   GLY  18          2HA       GLY  18   7.733   2.170   0.176
  106   2HA   GLY  18          1HA       GLY  18   8.146   0.995   1.430
  107    H    SER  19           H        SER  19  10.516   2.965  -0.246
  108    HA   SER  19           HA       SER  19  11.771   3.767   2.143
  109   1HB   SER  19          1HB       SER  19  12.439   4.761  -0.635
  110   2HB   SER  19          2HB       SER  19  13.514   4.212   0.659
  111    HG   SER  19           HG       SER  19  12.817   2.080   0.232
  112    H    LYS  20           HN       LYS  20  10.021   5.641  -0.508
  113    HA   LYS  20           HA       LYS  20  10.773   8.154   0.671
  114   1HB   LYS  20          2HB       LYS  20  10.759   7.916  -1.673
  115   2HB   LYS  20          1HB       LYS  20   9.248   7.010  -1.661
  116   1HG   LYS  20          1HG       LYS  20   8.828   8.884  -2.622
  117   2HG   LYS  20          2HG       LYS  20   7.963   8.987  -1.095
  118   1HD   LYS  20          1HD       LYS  20   9.706  10.546  -0.187
  119   2HD   LYS  20          2HD       LYS  20  10.625  10.398  -1.692
  120   1HE   LYS  20          1HE       LYS  20   9.344  12.506  -1.611
  121   2HE   LYS  20          2HE       LYS  20   8.817  11.481  -2.955
  122   1HZ   LYS  20          2HZ       LYS  20   7.437  11.665  -0.358
  123   2HZ   LYS  20          3HZ       LYS  20   6.997  12.479  -1.719
  124   3HZ   LYS  20          1HZ       LYS  20   6.939  10.832  -1.685
  125    H    ALA  21           H        ALA  21   9.493   9.493   1.814
  126    HA   ALA  21           HA       ALA  21   7.082   8.567   3.147
  127   1HB   ALA  21          3HB       ALA  21   8.460  11.292   2.961
  128   2HB   ALA  21          1HB       ALA  21   7.085  10.919   4.015
  129   3HB   ALA  21          2HB       ALA  21   8.635  10.097   4.266
  130    H    ALA  22           H        ALA  22   6.096   7.956   1.158
  131    HA   ALA  22           HA       ALA  22   5.443   8.926  -1.109
  132   1HB   ALA  22          1HB       ALA  22   4.444   6.911  -0.139
  133   2HB   ALA  22          2HB       ALA  22   3.269   7.918   0.740
  134   3HB   ALA  22          3HB       ALA  22   3.276   7.880  -1.046
  135    H    MET  23           H        MET  23   4.413  10.426  -2.246
  136    HA   MET  23           HA       MET  23   3.835  12.518  -2.773
  137   1HB   MET  23          1HB       MET  23   1.883  12.084  -0.477
  138   2HB   MET  23          2HB       MET  23   1.944  13.601  -1.368
  139   1HG   MET  23          1HG       MET  23   1.859  11.173  -3.068
  140   2HG   MET  23          2HG       MET  23   0.430  11.451  -2.078
  141   1HE   MET  23          3HE       MET  23   2.744  12.898  -4.894
  142   2HE   MET  23          1HE       MET  23   1.871  14.373  -5.361
  143   3HE   MET  23          2HE       MET  23   2.705  14.309  -3.796
  144    H    GLY  24           H        GLY  24   3.697  12.758   0.773
  145   1HA   GLY  24          2HA       GLY  24   6.147  13.976   1.250
  146   2HA   GLY  24          1HA       GLY  24   5.025  15.315   0.901
  147    H    SER  25           H        SER  25   6.198  13.413   3.388
  148    HA   SER  25           HA       SER  25   5.645  13.161   5.571
  149   1HB   SER  25          2HB       SER  25   3.304  15.019   5.172
  150   2HB   SER  25          1HB       SER  25   4.102  14.595   6.684
  151    HG   SER  25           HG       SER  25   5.272  16.001   4.505
  152    H    ALA  26           H        ALA  26   5.253  11.058   4.836
  153    HA   ALA  26           HA       ALA  26   2.645   9.965   5.607
  154   1HB   ALA  26          2HB       ALA  26   4.052   9.429   2.945
  155   2HB   ALA  26          3HB       ALA  26   2.771   8.411   3.602
  156   3HB   ALA  26          1HB       ALA  26   2.421  10.100   3.156
  157    H    LYS  27           HN       LYS  27   3.075   7.940   6.671
  158    HA   LYS  27           HA       LYS  27   5.749   7.535   7.645
  159   1HB   LYS  27          1HB       LYS  27   3.292   5.765   7.669
  160   2HB   LYS  27          2HB       LYS  27   4.794   5.422   8.553
  161   1HG   LYS  27          1HG       LYS  27   4.543   7.609   9.755
  162   2HG   LYS  27          2HG       LYS  27   2.975   7.840   8.982
  163   1HD   LYS  27          2HD       LYS  27   3.800   5.582  10.871
  164   2HD   LYS  27          1HD       LYS  27   2.696   6.914  11.238
  165   1HE   LYS  27          1HE       LYS  27   2.215   4.624   9.272
  166   2HE   LYS  27          2HE       LYS  27   1.424   4.871  10.826
  167   1HZ   LYS  27          1HZ       LYS  27   1.217   6.722   8.553
  168   2HZ   LYS  27          2HZ       LYS  27   0.105   5.581   8.938
  169   3HZ   LYS  27          3HZ       LYS  27   0.402   6.829   9.982
  170    HA   PRO  28           HA       PRO  28   7.021   5.554   3.760
  171   1HB   PRO  28          1HB       PRO  28   9.295   4.622   5.546
  172   2HB   PRO  28          2HB       PRO  28   9.379   5.226   3.870
  173   1HG   PRO  28          1HG       PRO  28  10.011   6.878   5.917
  174   2HG   PRO  28          2HG       PRO  28   8.952   7.478   4.606
  175   1HD   PRO  28          1HD       PRO  28   8.125   6.423   7.329
  176   2HD   PRO  28          2HD       PRO  28   7.600   7.905   6.484
  177    H    VAL  29           H        VAL  29   6.119   3.707   3.098
  178    HA   VAL  29           HA       VAL  29   4.909   1.785   4.605
  179    HB   VAL  29           HB       VAL  29   5.885   1.969   1.782
  180   1HG1  VAL  29          1HG1      VAL  29   4.836  -0.682   2.838
  181   2HG1  VAL  29          3HG1      VAL  29   5.052  -0.226   1.136
  182   3HG1  VAL  29          2HG1      VAL  29   6.461  -0.417   2.171
  183   1HG2  VAL  29          3HG2      VAL  29   3.685   2.815   2.687
  184   2HG2  VAL  29          1HG2      VAL  29   3.493   1.644   1.352
  185   3HG2  VAL  29          2HG2      VAL  29   3.242   1.131   3.029
  186    H    LYS  30           HN       LYS  30   8.302   1.703   3.662
  187    HA   LYS  30           HA       LYS  30   9.137  -0.787   3.623
  188   1HB   LYS  30          2HB       LYS  30  10.495   1.273   3.620
  189   2HB   LYS  30          1HB       LYS  30  10.503   1.273   5.390
  190   1HG   LYS  30          1HG       LYS  30  11.606  -0.998   5.311
  191   2HG   LYS  30          2HG       LYS  30  11.528  -0.945   3.543
  192   1HD   LYS  30          2HD       LYS  30  12.927   1.125   3.545
  193   2HD   LYS  30          1HD       LYS  30  13.017   1.047   5.317
  194   1HE   LYS  30          1HE       LYS  30  15.056   0.112   4.389
  195   2HE   LYS  30          2HE       LYS  30  14.122  -1.211   5.115
  196   1HZ   LYS  30          1HZ       LYS  30  14.131  -0.531   2.254
  197   2HZ   LYS  30          3HZ       LYS  30  15.024  -1.738   2.942
  198   3HZ   LYS  30          2HZ       LYS  30  13.384  -1.828   2.943
  199    H    GLY  31           H        GLY  31   7.893  -2.303   4.678
  200   1HA   GLY  31          1HA       GLY  31   6.966  -3.541   6.318
  201   2HA   GLY  31          2HA       GLY  31   8.607  -3.507   6.948
  202    H    GLN  32           H        GLN  32   5.855  -1.179   6.880
  203    HA   GLN  32           HA       GLN  32   6.082  -0.165   9.464
  204   1HB   GLN  32          1HB       GLN  32   3.306  -0.997   8.619
  205   2HB   GLN  32          2HB       GLN  32   3.785   0.363   9.604
  206   1HG   GLN  32          1HG       GLN  32   4.245   0.169   6.607
  207   2HG   GLN  32          2HG       GLN  32   2.807   0.833   7.362
  208   1HE2  GLN  32          2HE2      GLN  32   4.480   3.917   6.771
  209   2HE2  GLN  32          1HE2      GLN  32   2.985   3.047   6.624
  210    H    GLY  33           H        GLY  33   4.147  -2.839   8.641
  211   1HA   GLY  33          1HA       GLY  33   5.213  -4.995  10.000
  212   2HA   GLY  33          2HA       GLY  33   3.948  -4.406  11.099
  213    H    ALA  34           H        ALA  34   3.946  -6.846   9.416
  214    HA   ALA  34           HA       ALA  34   2.243  -6.543   7.217
  215   1HB   ALA  34          2HB       ALA  34   3.496  -8.583   7.821
  216   2HB   ALA  34          3HB       ALA  34   2.386  -8.847   9.188
  217   3HB   ALA  34          1HB       ALA  34   1.773  -8.908   7.507
  218    H    GLU  35           HN       GLU  35   1.334  -6.755  10.675
  219    HA   GLU  35           HA       GLU  35  -1.481  -6.991  10.263
  220   1HB   GLU  35          2HB       GLU  35   0.187  -5.719  12.495
  221   2HB   GLU  35          1HB       GLU  35  -1.561  -5.942  12.554
  222   1HG   GLU  35          2HG       GLU  35  -1.289  -8.389  12.309
  223   2HG   GLU  35          1HG       GLU  35   0.468  -8.203  12.204
  224    H    GLU  36           HN       GLU  36   0.578  -4.153  10.883
  225    HA   GLU  36           HA       GLU  36  -1.272  -2.072  10.639
  226   1HB   GLU  36          1HB       GLU  36   1.696  -2.173   9.852
  227   2HB   GLU  36          2HB       GLU  36   0.753  -0.719  10.039
  228   1HG   GLU  36          2HG       GLU  36   0.273  -1.536  12.442
  229   2HG   GLU  36          1HG       GLU  36   1.515  -2.773  12.155
  230    H    LEU  37           H        LEU  37   0.916  -3.430   8.128
  231    HA   LEU  37           HA       LEU  37   0.092  -1.889   5.978
  232   1HB   LEU  37          2HB       LEU  37   1.458  -4.561   6.497
  233   2HB   LEU  37          1HB       LEU  37   1.194  -4.014   4.899
  234    HG   LEU  37           HG       LEU  37   2.684  -2.338   6.948
  235   1HD1  LEU  37          1HD2      LEU  37   3.748  -4.337   4.927
  236   2HD1  LEU  37          2HD2      LEU  37   4.752  -3.099   5.708
  237   3HD1  LEU  37          3HD2      LEU  37   3.967  -4.345   6.683
  238   1HD2  LEU  37          3HD1      LEU  37   2.523  -2.156   3.916
  239   2HD2  LEU  37          2HD1      LEU  37   1.898  -0.973   5.085
  240   3HD2  LEU  37          1HD1      LEU  37   3.635  -1.222   4.915
  241    H    TYR  38           HN       TYR  38  -0.972  -5.208   7.027
  242    HA   TYR  38           HA       TYR  38  -2.719  -5.585   4.849
  243   1HB   TYR  38          2HB       TYR  38  -1.999  -7.414   6.292
  244   2HB   TYR  38          1HB       TYR  38  -2.893  -6.716   7.641
  245    HD1  TYR  38           HD1      TYR  38  -3.791  -7.380   3.996
  246    HD2  TYR  38           HE2      TYR  38  -4.674  -8.157   8.153
  247    HE1  TYR  38           HD2      TYR  38  -5.689  -8.808   3.334
  248    HE2  TYR  38           HE1      TYR  38  -6.534  -9.639   7.467
  249    HH   TYR  38           HH       TYR  38  -7.307 -10.390   4.062
  250    H    LYS  39           HN       LYS  39  -3.316  -4.239   8.098
  251    HA   LYS  39           HA       LYS  39  -6.081  -3.816   7.755
  252   1HB   LYS  39          2HB       LYS  39  -4.591  -3.721   9.856
  253   2HB   LYS  39          1HB       LYS  39  -4.152  -2.086   9.400
  254   1HG   LYS  39          2HG       LYS  39  -6.526  -1.388   9.538
  255   2HG   LYS  39          1HG       LYS  39  -6.996  -3.062   9.917
  256   1HD   LYS  39          1HD       LYS  39  -5.594  -3.020  11.952
  257   2HD   LYS  39          2HD       LYS  39  -5.025  -1.395  11.547
  258   1HE   LYS  39          1HE       LYS  39  -6.753  -1.257  13.276
  259   2HE   LYS  39          2HE       LYS  39  -7.335  -0.503  11.783
  260   1HZ   LYS  39          2HZ       LYS  39  -7.985  -3.222  12.693
  261   2HZ   LYS  39          1HZ       LYS  39  -8.975  -1.909  12.798
  262   3HZ   LYS  39          3HZ       LYS  39  -8.553  -2.504  11.322
  263    H    LYS  40           HN       LYS  40  -3.384  -1.437   7.356
  264    HA   LYS  40           HA       LYS  40  -5.018   0.701   6.474
  265   1HB   LYS  40          1HB       LYS  40  -2.092  -0.089   6.093
  266   2HB   LYS  40          2HB       LYS  40  -2.786   1.455   5.636
  267   1HG   LYS  40          2HG       LYS  40  -3.042   0.476   8.501
  268   2HG   LYS  40          1HG       LYS  40  -1.547   1.221   7.924
  269   1HD   LYS  40          1HD       LYS  40  -2.753   3.246   7.252
  270   2HD   LYS  40          2HD       LYS  40  -4.300   2.534   7.741
  271   1HE   LYS  40          2HE       LYS  40  -3.527   4.071   9.451
  272   2HE   LYS  40          1HE       LYS  40  -3.478   2.421  10.097
  273   1HZ   LYS  40          2HZ       LYS  40  -1.180   3.900   9.005
  274   2HZ   LYS  40          3HZ       LYS  40  -1.511   3.705  10.610
  275   3HZ   LYS  40          1HZ       LYS  40  -1.128   2.400   9.681
  276    H    MET  41           H        MET  41  -3.160  -1.799   4.599
  277    HA   MET  41           HA       MET  41  -3.877  -0.638   2.100
  278   1HB   MET  41          1HB       MET  41  -2.886  -2.324   1.042
  279   2HB   MET  41          2HB       MET  41  -1.916  -2.160   2.501
  280   1HG   MET  41          1HG       MET  41  -2.005  -4.491   2.179
  281   2HG   MET  41          2HG       MET  41  -3.274  -4.156   3.385
  282   1HE   MET  41          1HE       MET  41  -2.594  -3.982  -0.290
  283   2HE   MET  41          3HE       MET  41  -3.850  -4.912  -1.086
  284   3HE   MET  41          2HE       MET  41  -4.248  -3.316  -0.437
  285    H    LYS  42           HN       LYS  42  -5.435  -3.181   4.100
  286    HA   LYS  42           HA       LYS  42  -7.538  -3.712   2.227
  287   1HB   LYS  42          2HB       LYS  42  -7.057  -5.155   4.123
  288   2HB   LYS  42          1HB       LYS  42  -7.525  -3.882   5.272
  289   1HG   LYS  42          2HG       LYS  42  -9.822  -3.883   4.369
  290   2HG   LYS  42          1HG       LYS  42  -9.388  -5.118   3.184
  291   1HD   LYS  42          1HD       LYS  42  -9.370  -5.425   6.227
  292   2HD   LYS  42          2HD       LYS  42 -10.614  -6.022   5.115
  293   1HE   LYS  42          1HE       LYS  42  -8.825  -7.427   3.980
  294   2HE   LYS  42          2HE       LYS  42  -7.714  -6.945   5.280
  295   1HZ   LYS  42          1HZ       LYS  42 -10.247  -8.375   5.647
  296   2HZ   LYS  42          2HZ       LYS  42  -8.737  -9.035   5.711
  297   3HZ   LYS  42          3HZ       LYS  42  -9.203  -7.933   6.846
  298    H    GLY  43           H        GLY  43  -7.075  -1.308   4.822
  299   1HA   GLY  43          2HA       GLY  43  -9.502   0.022   4.861
  300   2HA   GLY  43          1HA       GLY  43  -7.915   0.778   5.137
  301    H    TYR  44           H        TYR  44  -6.639   0.713   2.789
  302    HA   TYR  44           HA       TYR  44  -7.861   2.733   1.200
  303   1HB   TYR  44          2HB       TYR  44  -5.510   0.838   0.813
  304   2HB   TYR  44          1HB       TYR  44  -5.980   2.026  -0.371
  305    HD1  TYR  44           HD1      TYR  44  -6.475   4.512   0.971
  306    HD2  TYR  44           HD2      TYR  44  -3.420   1.553   1.678
  307    HE1  TYR  44           HE1      TYR  44  -5.037   6.230   2.030
  308    HE2  TYR  44           HE2      TYR  44  -1.943   3.332   2.586
  309    HH   TYR  44           HH       TYR  44  -1.706   5.515   3.068
  310    H    ALA  45           H        ALA  45  -7.269  -0.740   0.476
  311    HA   ALA  45           HA       ALA  45  -8.519  -0.814  -1.989
  312   1HB   ALA  45          1HB       ALA  45  -7.225  -2.689  -1.021
  313   2HB   ALA  45          2HB       ALA  45  -8.548  -3.010   0.125
  314   3HB   ALA  45          3HB       ALA  45  -8.807  -3.230  -1.617
  315    H    ASP  46           HN       ASP  46 -10.091  -1.128   1.194
  316    HA   ASP  46           HA       ASP  46 -12.759  -1.423  -0.016
  317   1HB   ASP  46          2HB       ASP  46 -11.867  -1.222   2.888
  318   2HB   ASP  46          1HB       ASP  46 -13.495  -1.618   2.330
  319    H    GLY  47           H        GLY  47 -11.032   1.224  -0.159
  320   1HA   GLY  47          2HA       GLY  47 -11.387   3.460  -0.043
  321   2HA   GLY  47          1HA       GLY  47 -13.070   3.059  -0.419
  322    H    SER  48           H        SER  48 -11.342   2.184   2.533
  323    HA   SER  48           HA       SER  48 -13.309   3.716   4.182
  324   1HB   SER  48          2HB       SER  48 -11.516   1.358   4.877
  325   2HB   SER  48          1HB       SER  48 -12.720   2.117   5.933
  326    HG   SER  48           HG       SER  48 -13.456   1.119   3.368
  327    H    TYR  49           H        TYR  49  -9.846   2.970   3.774
  328    HA   TYR  49           HA       TYR  49  -9.101   5.299   5.491
  329   1HB   TYR  49          2HB       TYR  49  -7.940   3.023   5.908
  330   2HB   TYR  49          1HB       TYR  49  -7.300   3.163   4.273
  331    HD1  TYR  49           HD1      TYR  49  -7.641   5.485   7.247
  332    HD2  TYR  49           HD2      TYR  49  -4.997   3.581   4.429
  333    HE1  TYR  49           HE1      TYR  49  -5.723   6.704   8.214
  334    HE2  TYR  49           HE2      TYR  49  -3.085   4.850   5.370
  335    HH   TYR  49           HH       TYR  49  -2.403   6.512   6.972
  336    H    GLY  50           H        GLY  50  -8.242   7.155   4.306
  337   1HA   GLY  50          1HA       GLY  50  -7.156   7.058   1.731
  338   2HA   GLY  50          2HA       GLY  50  -8.903   7.180   1.517
  339    H    GLY  51           H        GLY  51  -8.358   9.249   0.498
  340   1HA   GLY  51          2HA       GLY  51  -9.120  11.521   1.737
  341   2HA   GLY  51          1HA       GLY  51  -7.369  11.471   2.068
  342    H    GLU  52           HN       GLU  52  -7.932  13.481   0.561
  343    HA   GLU  52           HA       GLU  52  -8.449  13.373  -2.132
  344   1HB   GLU  52          2HB       GLU  52  -6.531  15.354  -2.066
  345   2HB   GLU  52          1HB       GLU  52  -8.234  15.532  -1.706
  346   1HG   GLU  52          1HG       GLU  52  -6.755  16.624  -0.053
  347   2HG   GLU  52          2HG       GLU  52  -7.886  15.487   0.663
  348    H    ARG  53           HN       ARG  53  -4.994  13.730  -1.185
  349    HA   ARG  53           HA       ARG  53  -3.942  12.887  -3.610
  350   1HB   ARG  53          2HB       ARG  53  -1.864  12.689  -2.471
  351   2HB   ARG  53          1HB       ARG  53  -2.749  14.030  -1.743
  352   1HG   ARG  53          2HG       ARG  53  -3.423  12.313   0.131
  353   2HG   ARG  53          1HG       ARG  53  -2.200  11.249  -0.585
  354   1HD   ARG  53          2HD       ARG  53  -0.524  13.078  -0.367
  355   2HD   ARG  53          1HD       ARG  53  -1.746  14.089   0.440
  356    HE   ARG  53           HE       ARG  53  -1.678  11.719   1.898
  357   1HH1  ARG  53          1HH1      ARG  53   0.590  14.275   1.014
  358   2HH1  ARG  53          2HH1      ARG  53   1.615  14.058   2.406
  359   1HH2  ARG  53          2HH2      ARG  53  -0.355  11.468   3.796
  360   2HH2  ARG  53          1HH2      ARG  53   1.067  12.454   4.011
  361    H    LYS  54           HN       LYS  54  -5.043  10.972  -0.904
  362    HA   LYS  54           HA       LYS  54  -3.718   8.537  -1.610
  363   1HB   LYS  54          1HB       LYS  54  -6.176   8.795   0.123
  364   2HB   LYS  54          2HB       LYS  54  -4.912   7.579   0.183
  365   1HG   LYS  54          2HG       LYS  54  -3.311   9.597   0.732
  366   2HG   LYS  54          1HG       LYS  54  -4.815  10.477   1.079
  367   1HD   LYS  54          1HD       LYS  54  -5.340   8.424   2.649
  368   2HD   LYS  54          2HD       LYS  54  -3.618   8.072   2.463
  369   1HE   LYS  54          1HE       LYS  54  -3.911   9.321   4.479
  370   2HE   LYS  54          2HE       LYS  54  -3.127  10.405   3.317
  371   1HZ   LYS  54          1HZ       LYS  54  -6.018  10.329   3.897
  372   2HZ   LYS  54          2HZ       LYS  54  -4.955  11.412   4.546
  373   3HZ   LYS  54          3HZ       LYS  54  -5.248  11.417   2.927
  374    H    ALA  55           H        ALA  55  -6.658  10.070  -2.809
  375    HA   ALA  55           HA       ALA  55  -8.263   7.953  -3.444
  376   1HB   ALA  55          2HB       ALA  55  -8.814  10.310  -3.882
  377   2HB   ALA  55          3HB       ALA  55  -7.649  10.350  -5.224
  378   3HB   ALA  55          1HB       ALA  55  -9.091   9.317  -5.327
  379    H    MET  56           H        MET  56  -5.422   8.958  -5.376
  380    HA   MET  56           HA       MET  56  -5.747   7.231  -7.581
  381   1HB   MET  56          1HB       MET  56  -4.115   9.072  -7.432
  382   2HB   MET  56          2HB       MET  56  -3.195   8.198  -6.200
  383   1HG   MET  56          1HG       MET  56  -2.829   6.347  -7.893
  384   2HG   MET  56          2HG       MET  56  -3.603   7.375  -9.102
  385   1HE   MET  56          3HE       MET  56  -2.639   9.722  -9.801
  386   2HE   MET  56          1HE       MET  56  -2.252  10.321  -8.165
  387   3HE   MET  56          2HE       MET  56  -0.996  10.287  -9.419
  388    H    MET  57           H        MET  57  -3.774   6.745  -4.669
  389    HA   MET  57           HA       MET  57  -2.975   4.072  -5.004
  390   1HB   MET  57          1HB       MET  57  -1.978   5.535  -3.391
  391   2HB   MET  57          2HB       MET  57  -3.517   5.835  -2.608
  392   1HG   MET  57          1HG       MET  57  -3.628   3.610  -1.698
  393   2HG   MET  57          2HG       MET  57  -2.191   3.107  -2.588
  394   1HE   MET  57          1HE       MET  57  -3.424   6.037  -0.312
  395   2HE   MET  57          3HE       MET  57  -1.982   6.459   0.636
  396   3HE   MET  57          2HE       MET  57  -2.020   6.798  -1.099
  397    H    THR  58           H        THR  58  -5.762   5.451  -3.288
  398    HA   THR  58           HA       THR  58  -6.931   3.137  -2.238
  399    HB   THR  58           HB       THR  58  -8.390   5.586  -3.306
  400    HG1  THR  58           HG1      THR  58  -6.697   6.069  -1.802
  401   1HG2  THR  58          1HG2      THR  58  -9.837   3.590  -2.568
  402   2HG2  THR  58          2HG2      THR  58  -9.157   3.882  -0.945
  403   3HG2  THR  58          3HG2      THR  58 -10.104   5.139  -1.741
  404    H    ASN  59           H        ASN  59  -7.764   4.710  -5.430
  405    HA   ASN  59           HA       ASN  59  -9.451   2.502  -6.141
  406   1HB   ASN  59          2HB       ASN  59  -9.464   4.871  -7.101
  407   2HB   ASN  59          1HB       ASN  59  -8.158   4.338  -8.164
  408   1HD2  ASN  59          1HD2      ASN  59 -10.892   1.801  -9.377
  409   2HD2  ASN  59          2HD2      ASN  59  -9.545   1.422  -8.322
  410    H    ALA  60           H        ALA  60  -5.958   3.170  -6.679
  411    HA   ALA  60           HA       ALA  60  -5.561   1.214  -8.721
  412   1HB   ALA  60          1HB       ALA  60  -3.916   2.967  -8.212
  413   2HB   ALA  60          3HB       ALA  60  -3.605   2.243  -6.619
  414   3HB   ALA  60          2HB       ALA  60  -3.186   1.353  -8.095
  415    H    VAL  61           H        VAL  61  -5.160   1.032  -5.157
  416    HA   VAL  61           HA       VAL  61  -4.566  -1.790  -5.273
  417    HB   VAL  61           HB       VAL  61  -3.660  -0.095  -3.649
  418   1HG1  VAL  61          3HG1      VAL  61  -5.899   0.880  -2.974
  419   2HG1  VAL  61          2HG1      VAL  61  -6.214  -0.625  -2.105
  420   3HG1  VAL  61          1HG1      VAL  61  -4.840   0.401  -1.642
  421   1HG2  VAL  61          3HG2      VAL  61  -3.285  -2.493  -3.425
  422   2HG2  VAL  61          1HG2      VAL  61  -3.497  -1.721  -1.844
  423   3HG2  VAL  61          2HG2      VAL  61  -4.826  -2.673  -2.558
  424    H    LYS  62           HN       LYS  62  -7.574   0.085  -4.872
  425    HA   LYS  62           HA       LYS  62  -9.269  -1.855  -3.791
  426   1HB   LYS  62          1HB       LYS  62  -9.936   0.415  -4.182
  427   2HB   LYS  62          2HB       LYS  62  -9.768   0.229  -5.940
  428   1HG   LYS  62          1HG       LYS  62 -11.636  -1.357  -5.983
  429   2HG   LYS  62          2HG       LYS  62 -11.818  -1.222  -4.234
  430   1HD   LYS  62          2HD       LYS  62 -12.137   1.005  -6.318
  431   2HD   LYS  62          1HD       LYS  62 -13.454   0.157  -5.504
  432   1HE   LYS  62          2HE       LYS  62 -11.441   2.046  -4.191
  433   2HE   LYS  62          1HE       LYS  62 -13.147   2.355  -4.513
  434   1HZ   LYS  62          2HZ       LYS  62 -13.700   0.575  -3.015
  435   2HZ   LYS  62          3HZ       LYS  62 -12.106   0.300  -2.696
  436   3HZ   LYS  62          1HZ       LYS  62 -12.796   1.728  -2.257
  437    H    LYS  63           HN       LYS  63  -7.747  -1.909  -6.971
  438    HA   LYS  63           HA       LYS  63  -9.637  -3.681  -8.143
  439   1HB   LYS  63          2HB       LYS  63  -6.710  -3.405  -8.871
  440   2HB   LYS  63          1HB       LYS  63  -8.021  -3.998  -9.892
  441   1HG   LYS  63          1HG       LYS  63  -7.505  -1.162  -8.929
  442   2HG   LYS  63          2HG       LYS  63  -7.531  -1.755 -10.577
  443   1HD   LYS  63          1HD       LYS  63  -9.958  -1.483  -8.724
  444   2HD   LYS  63          2HD       LYS  63  -9.496  -0.385 -10.017
  445   1HE   LYS  63          1HE       LYS  63  -9.759  -2.206 -11.698
  446   2HE   LYS  63          2HE       LYS  63 -10.259  -3.322 -10.415
  447   1HZ   LYS  63          1HZ       LYS  63 -12.110  -1.889  -9.968
  448   2HZ   LYS  63          2HZ       LYS  63 -11.655  -0.856 -11.171
  449   3HZ   LYS  63          3HZ       LYS  63 -12.121  -2.393 -11.536
  450    H    ALA  64           H        ALA  64  -7.310  -4.252  -5.669
  451    HA   ALA  64           HA       ALA  64  -6.542  -7.003  -6.206
  452   1HB   ALA  64          2HB       ALA  64  -5.227  -5.363  -4.880
  453   2HB   ALA  64          1HB       ALA  64  -6.555  -5.263  -3.702
  454   3HB   ALA  64          3HB       ALA  64  -5.659  -6.757  -3.881
  455    H    SER  65           H        SER  65  -6.945  -8.585  -4.354
  456    HA   SER  65           HA       SER  65  -9.529  -8.542  -3.029
  457   1HB   SER  65          2HB       SER  65 -10.014  -9.627  -5.227
  458   2HB   SER  65          1HB       SER  65  -8.822 -10.888  -4.848
  459    HG   SER  65           HG       SER  65 -11.014 -11.411  -4.217
  460    H    ASP  66           HN       ASP  66  -9.513 -10.763  -1.685
  461    HA   ASP  66           HA       ASP  66  -7.713 -10.183   0.272
  462   1HB   ASP  66          1HB       ASP  66  -9.704 -11.553   0.662
  463   2HB   ASP  66          2HB       ASP  66  -8.888 -12.950  -0.072
  464    H    GLU  67           HN       GLU  67  -6.993 -12.809  -2.118
  465    HA   GLU  67           HA       GLU  67  -4.643 -13.714  -0.816
  466   1HB   GLU  67          2HB       GLU  67  -5.765 -14.756  -2.894
  467   2HB   GLU  67          1HB       GLU  67  -4.919 -13.517  -3.849
  468   1HG   GLU  67          1HG       GLU  67  -2.745 -14.341  -2.785
  469   2HG   GLU  67          2HG       GLU  67  -3.672 -15.677  -2.094
  470    H    GLU  68           HN       GLU  68  -5.110 -11.256  -3.306
  471    HA   GLU  68           HA       GLU  68  -2.455 -10.322  -3.497
  472   1HB   GLU  68          1HB       GLU  68  -4.967  -8.726  -3.960
  473   2HB   GLU  68          2HB       GLU  68  -3.412  -8.559  -4.714
  474   1HG   GLU  68          1HG       GLU  68  -4.574  -9.470  -6.393
  475   2HG   GLU  68          2HG       GLU  68  -3.923 -10.977  -5.700
  476    H    LEU  69           H        LEU  69  -5.241  -9.215  -1.499
  477    HA   LEU  69           HA       LEU  69  -3.928  -6.971  -0.422
  478   1HB   LEU  69          1HB       LEU  69  -5.989  -8.777   0.929
  479   2HB   LEU  69          2HB       LEU  69  -5.532  -7.204   1.532
  480    HG   LEU  69           HG       LEU  69  -7.087  -7.796  -0.998
  481   1HD1  LEU  69          3HD2      LEU  69  -8.313  -8.044   1.148
  482   2HD1  LEU  69          2HD2      LEU  69  -7.857  -6.384   1.579
  483   3HD1  LEU  69          1HD2      LEU  69  -8.918  -6.683   0.187
  484   1HD2  LEU  69          1HD1      LEU  69  -5.724  -5.790  -1.412
  485   2HD2  LEU  69          2HD1      LEU  69  -7.442  -5.437  -1.326
  486   3HD2  LEU  69          3HD1      LEU  69  -6.428  -5.024   0.044
  487    H    LYS  70           HN       LYS  70  -4.186 -10.282   0.904
  488    HA   LYS  70           HA       LYS  70  -2.597  -9.907   3.232
  489   1HB   LYS  70          1HB       LYS  70  -3.134 -12.312   1.435
  490   2HB   LYS  70          2HB       LYS  70  -2.230 -12.461   2.935
  491   1HG   LYS  70          2HG       LYS  70  -4.911 -11.106   3.107
  492   2HG   LYS  70          1HG       LYS  70  -4.914 -12.816   2.715
  493   1HD   LYS  70          1HD       LYS  70  -5.136 -12.413   5.137
  494   2HD   LYS  70          2HD       LYS  70  -3.747 -13.424   4.720
  495   1HE   LYS  70          1HE       LYS  70  -2.197 -11.563   5.083
  496   2HE   LYS  70          2HE       LYS  70  -3.543 -10.438   5.312
  497   1HZ   LYS  70          3HZ       LYS  70  -2.928 -12.718   7.040
  498   2HZ   LYS  70          1HZ       LYS  70  -2.613 -11.134   7.369
  499   3HZ   LYS  70          2HZ       LYS  70  -4.171 -11.653   7.248
  500    H    ALA  71           H        ALA  71  -1.741 -11.016  -0.065
  501    HA   ALA  71           HA       ALA  71   1.015 -11.290   0.511
  502   1HB   ALA  71          3HB       ALA  71  -0.166 -12.367  -1.388
  503   2HB   ALA  71          1HB       ALA  71  -0.349 -10.767  -2.156
  504   3HB   ALA  71          2HB       ALA  71   1.270 -11.474  -1.925
  505    H    LEU  72           H        LEU  72  -0.848  -8.336  -0.452
  506    HA   LEU  72           HA       LEU  72   1.472  -6.907  -1.220
  507   1HB   LEU  72          2HB       LEU  72  -1.160  -6.446  -1.358
  508   2HB   LEU  72          1HB       LEU  72  -0.906  -5.601   0.143
  509    HG   LEU  72           HG       LEU  72  -0.205  -3.771  -0.970
  510   1HD1  LEU  72          3HD1      LEU  72   2.125  -4.683  -1.346
  511   2HD1  LEU  72          2HD1      LEU  72   1.549  -5.386  -2.873
  512   3HD1  LEU  72          1HD1      LEU  72   1.553  -3.636  -2.644
  513   1HD2  LEU  72          1HD2      LEU  72  -2.032  -4.558  -2.456
  514   2HD2  LEU  72          3HD2      LEU  72  -0.808  -3.680  -3.379
  515   3HD2  LEU  72          2HD2      LEU  72  -0.835  -5.452  -3.399
  516    H    ALA  73           H        ALA  73  -0.313  -7.247   1.862
  517    HA   ALA  73           HA       ALA  73   1.425  -5.694   3.461
  518   1HB   ALA  73          2HB       ALA  73  -0.790  -6.494   4.174
  519   2HB   ALA  73          1HB       ALA  73  -0.181  -8.155   4.289
  520   3HB   ALA  73          3HB       ALA  73   0.469  -6.898   5.360
  521    H    ASP  74           HN       ASP  74   1.432  -9.294   3.065
  522    HA   ASP  74           HA       ASP  74   3.765  -9.849   4.426
  523   1HB   ASP  74          2HB       ASP  74   2.252 -11.557   3.483
  524   2HB   ASP  74          1HB       ASP  74   2.811 -11.146   1.849
  525    H    TYR  75           H        TYR  75   3.552  -8.852   0.932
  526    HA   TYR  75           HA       TYR  75   6.326  -9.049   0.413
  527   1HB   TYR  75          1HB       TYR  75   4.490  -8.812  -1.268
  528   2HB   TYR  75          2HB       TYR  75   4.295  -7.130  -0.818
  529    HD1  TYR  75           HD2      TYR  75   6.535  -9.611  -2.420
  530    HD2  TYR  75           HD1      TYR  75   5.992  -5.446  -1.445
  531    HE1  TYR  75           HE2      TYR  75   8.443  -9.011  -3.893
  532    HE2  TYR  75           HE1      TYR  75   7.938  -4.867  -2.857
  533    HH   TYR  75           HH       TYR  75   9.587  -5.650  -4.254
  534    H    MET  76           H        MET  76   4.338  -6.192   1.256
  535    HA   MET  76           HA       MET  76   6.492  -4.339   1.480
  536   1HB   MET  76          1HB       MET  76   3.690  -4.404   2.655
  537   2HB   MET  76          2HB       MET  76   4.805  -3.048   2.899
  538   1HG   MET  76          1HG       MET  76   5.024  -2.777   0.453
  539   2HG   MET  76          2HG       MET  76   3.885  -4.093   0.189
  540   1HE   MET  76          3HE       MET  76   1.343  -3.948   0.695
  541   2HE   MET  76          2HE       MET  76   1.531  -3.446   2.379
  542   3HE   MET  76          1HE       MET  76   0.484  -2.518   1.280
  543    H    SER  77           H        SER  77   5.357  -6.754   3.840
  544    HA   SER  77           HA       SER  77   6.920  -5.707   6.032
  545   1HB   SER  77          2HB       SER  77   5.574  -8.390   5.523
  546   2HB   SER  77          1HB       SER  77   6.176  -7.768   7.054
  547    HG   SER  77           HG       SER  77   4.130  -6.623   5.466
  548    H    LYS  78           HN       LYS  78   7.988  -7.046   3.171
  549    HA   LYS  78           HA       LYS  78  10.390  -8.283   4.410
  550   1HB   LYS  78          1HB       LYS  78   8.552  -9.945   3.692
  551   2HB   LYS  78          2HB       LYS  78   8.803  -9.351   2.037
  552   1HG   LYS  78          2HG       LYS  78  11.288 -10.045   2.408
  553   2HG   LYS  78          1HG       LYS  78  10.697 -10.903   3.837
  554   1HD   LYS  78          2HD       LYS  78   9.928 -11.349   0.911
  555   2HD   LYS  78          1HD       LYS  78  10.837 -12.430   1.966
  556   1HE   LYS  78          1HE       LYS  78   8.729 -13.420   1.902
  557   2HE   LYS  78          2HE       LYS  78   8.681 -12.538   3.435
  558   1HZ   LYS  78          3HZ       LYS  78   7.580 -11.584   0.871
  559   2HZ   LYS  78          1HZ       LYS  78   6.695 -12.302   2.057
  560   3HZ   LYS  78          2HZ       LYS  78   7.396 -10.845   2.331
  561    H    LEU  79           H        LEU  79  10.112  -5.561   3.659
  562    HA   LEU  79           HA       LEU  79  11.578  -5.285   1.179
  563   1HB   LEU  79          2HB       LEU  79   9.089  -5.395   0.681
  564   2HB   LEU  79          1HB       LEU  79   8.833  -4.192   1.962
  565    HG   LEU  79           HG       LEU  79  10.213  -2.634   0.713
  566   1HD1  LEU  79          3HD1      LEU  79  10.041  -4.868  -1.387
  567   2HD1  LEU  79          2HD1      LEU  79  10.438  -3.213  -1.855
  568   3HD1  LEU  79          1HD1      LEU  79  11.514  -4.103  -0.765
  569   1HD2  LEU  79          2HD2      LEU  79   7.726  -3.690  -0.683
  570   2HD2  LEU  79          1HD2      LEU  79   7.794  -2.497   0.634
  571   3HD2  LEU  79          3HD2      LEU  79   8.445  -2.088  -0.958
  572    HHA  HEC   1           HHA      HEM   1   1.504   4.960   3.690
  573    HHB  HEC   1           HHB      HEM   1  -0.148  -0.141   0.296
  574    HHC  HEC   1           HHC      HEM   1   0.587   3.366  -5.034
  575    HHD  HEC   1           HHD      HEM   1   0.666   8.638  -1.410
  576   1HMA  HEC   1          1HMA      HEM   1  -0.940  -0.287   2.590
  577   2HMA  HEC   1          2HMA      HEM   1   0.776  -0.747   2.798
  578   3HMA  HEC   1          3HMA      HEM   1  -0.132   0.010   4.130
  579   1HAA  HEC   1          1HAA      HEM   1   1.490   1.511   5.068
  580   2HAA  HEC   1          2HAA      HEM   1   1.971   3.182   4.847
  581   1HBA  HEC   1          1HBA      HEM   1  -0.614   3.697   4.987
  582   2HBA  HEC   1          2HBA      HEM   1  -0.711   2.061   5.640
  583   1HMB  HEC   1          1HMB      HEM   1   0.605  -1.485  -1.442
  584   2HMB  HEC   1          2HMB      HEM   1   0.124  -1.652  -3.120
  585   3HMB  HEC   1          3HMB      HEM   1  -1.117  -1.353  -1.884
  586    HAB  HEC   1           HAB      HEM   1   0.473   1.349  -5.652
  587   1HBB  HEC   1          1HBB      HEM   1  -1.170  -1.046  -4.770
  588   2HBB  HEC   1          2HBB      HEM   1  -0.743  -0.587  -6.423
  589   3HBB  HEC   1          3HBB      HEM   1  -1.793   0.466  -5.450
  590   1HMC  HEC   1          1HMC      HEM   1   1.680   5.363  -6.313
  591   2HMC  HEC   1          2HMC      HEM   1  -0.099   5.326  -6.291
  592   3HMC  HEC   1          3HMC      HEM   1   0.747   6.867  -6.440
  593    HAC  HEC   1           HAC      HEM   1   1.896   8.980  -3.290
  594   1HBC  HEC   1          1HBC      HEM   1  -0.187   8.836  -5.511
  595   2HBC  HEC   1          2HBC      HEM   1  -0.454   9.475  -3.877
  596   3HBC  HEC   1          3HBC      HEM   1   0.659  10.301  -4.997
  597   1HMD  HEC   1          1HMD      HEM   1  -0.546   9.669   0.347
  598   2HMD  HEC   1          2HMD      HEM   1   1.024  10.054   1.088
  599   3HMD  HEC   1          3HMD      HEM   1  -0.410   9.781   2.103
  600   1HAD  HEC   1          1HAD      HEM   1   0.444   8.655   3.964
  601   2HAD  HEC   1          2HAD      HEM   1  -0.927   7.600   3.894
  602   1HBD  HEC   1          1HBD      HEM   1   0.218   5.849   5.097
  603   2HBD  HEC   1          2HBD      HEM   1   1.787   6.658   5.004
   
  No H/Q in entry =         603
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1   6.168 -12.157  -7.781
    2   2H    ALA   1          2H        ALA   1   6.760 -13.623  -8.314
    3   3H    ALA   1          3H        ALA   1   5.426 -12.922  -9.013
    4    HA   ALA   1           HA       ALA   1   4.567 -14.571  -7.629
    5   1HB   ALA   1          2HB       ALA   1   6.589 -14.876  -6.224
    6   2HB   ALA   1          3HB       ALA   1   6.286 -13.308  -5.443
    7   3HB   ALA   1          1HB       ALA   1   5.143 -14.647  -5.226
    8    H    ASP   2           HN       ASP   2   2.812 -14.136  -5.898
    9    HA   ASP   2           HA       ASP   2   1.425 -11.746  -6.555
   10   1HB   ASP   2          1HB       ASP   2   0.362 -13.881  -5.797
   11   2HB   ASP   2          2HB       ASP   2   1.019 -13.610  -4.173
   12    H    GLY   3           H        GLY   3   0.787 -10.060  -4.990
   13   1HA   GLY   3          2HA       GLY   3   1.210  -8.419  -3.453
   14   2HA   GLY   3          1HA       GLY   3   2.487  -9.411  -2.717
   15    H    ALA   4           H        ALA   4   4.317  -9.838  -4.397
   16    HA   ALA   4           HA       ALA   4   5.740  -7.386  -4.812
   17   1HB   ALA   4          2HB       ALA   4   6.861  -9.552  -4.465
   18   2HB   ALA   4          1HB       ALA   4   6.249 -10.138  -6.026
   19   3HB   ALA   4          3HB       ALA   4   7.399  -8.783  -5.971
   20    H    ALA   5           H        ALA   5   4.111  -9.612  -7.126
   21    HA   ALA   5           HA       ALA   5   4.565  -8.279  -9.516
   22   1HB   ALA   5          3HB       ALA   5   2.035  -9.715  -8.597
   23   2HB   ALA   5          1HB       ALA   5   2.419  -9.287 -10.279
   24   3HB   ALA   5          2HB       ALA   5   3.442 -10.441  -9.406
   25    H    LEU   6           H        LEU   6   1.858  -7.649  -7.211
   26    HA   LEU   6           HA       LEU   6   0.699  -5.466  -8.621
   27   1HB   LEU   6          1HB       LEU   6   0.758  -6.231  -5.673
   28   2HB   LEU   6          2HB       LEU   6  -0.088  -4.827  -6.323
   29    HG   LEU   6           HG       LEU   6  -1.391  -6.321  -7.823
   30   1HD1  LEU   6          3HD2      LEU   6  -0.174  -8.562  -6.153
   31   2HD1  LEU   6          2HD2      LEU   6  -1.644  -8.706  -7.128
   32   3HD1  LEU   6          1HD2      LEU   6  -0.110  -8.395  -7.930
   33   1HD2  LEU   6          2HD1      LEU   6  -2.129  -5.454  -5.546
   34   2HD2  LEU   6          1HD1      LEU   6  -2.930  -6.931  -6.084
   35   3HD2  LEU   6          3HD1      LEU   6  -1.629  -7.018  -4.862
   36    H    TYR   7           H        TYR   7   3.019  -5.605  -5.894
   37    HA   TYR   7           HA       TYR   7   3.328  -2.966  -5.403
   38   1HB   TYR   7          2HB       TYR   7   4.361  -4.913  -4.160
   39   2HB   TYR   7          1HB       TYR   7   5.672  -4.897  -5.324
   40    HD1  TYR   7           HD2      TYR   7   3.763  -2.333  -3.303
   41    HD2  TYR   7           HD1      TYR   7   7.611  -3.686  -4.705
   42    HE1  TYR   7           HE2      TYR   7   4.808  -0.262  -2.450
   43    HE2  TYR   7           HE1      TYR   7   8.662  -1.691  -3.700
   44    HH   TYR   7           HH       TYR   7   8.219   0.511  -2.993
   45    H    LYS   8           HN       LYS   8   5.091  -4.766  -7.842
   46    HA   LYS   8           HA       LYS   8   6.972  -3.015  -8.797
   47   1HB   LYS   8          2HB       LYS   8   4.976  -4.567 -10.483
   48   2HB   LYS   8          1HB       LYS   8   6.383  -3.725 -11.143
   49   1HG   LYS   8          2HG       LYS   8   7.901  -5.059  -9.745
   50   2HG   LYS   8          1HG       LYS   8   6.524  -5.962  -9.087
   51   1HD   LYS   8          1HD       LYS   8   5.896  -6.692 -11.376
   52   2HD   LYS   8          2HD       LYS   8   7.297  -5.838 -12.041
   53   1HE   LYS   8          1HE       LYS   8   7.403  -8.142 -10.032
   54   2HE   LYS   8          2HE       LYS   8   7.713  -8.272 -11.772
   55   1HZ   LYS   8          3HZ       LYS   8   9.553  -6.769 -11.495
   56   2HZ   LYS   8          1HZ       LYS   8   9.286  -6.685  -9.870
   57   3HZ   LYS   8          2HZ       LYS   8   9.734  -8.112 -10.558
   58    H    SER   9           H        SER   9   3.453  -2.576  -9.284
   59    HA   SER   9           HA       SER   9   3.666  -0.297 -11.010
   60   1HB   SER   9          1HB       SER   9   1.343  -0.750  -9.110
   61   2HB   SER   9          2HB       SER   9   1.342  -0.188 -10.788
   62    HG   SER   9           HG       SER   9   1.657  -2.802  -9.736
   63    H    CYS  10           H        CYS  10   3.332  -0.737  -7.526
   64    HA   CYS  10           HA       CYS  10   2.777   1.981  -6.789
   65   1HB   CYS  10          2HB       CYS  10   3.803  -0.162  -4.974
   66   2HB   CYS  10          1HB       CYS  10   2.729   1.139  -4.575
   67    H    ILE  11           H        ILE  11   5.663  -0.034  -7.156
   68    HA   ILE  11           HA       ILE  11   7.571   1.403  -5.761
   69    HB   ILE  11           HB       ILE  11   7.742   0.085  -8.495
   70   1HG1  ILE  11          2HG1      ILE  11   8.830  -0.628  -5.741
   71   2HG1  ILE  11          1HG1      ILE  11   7.405  -1.351  -6.506
   72   1HG2  ILE  11          2HG2      ILE  11  10.056   1.298  -6.943
   73   2HG2  ILE  11          1HG2      ILE  11  10.215   0.238  -8.356
   74   3HG2  ILE  11          3HG2      ILE  11   9.479   1.810  -8.542
   75   1HD1  ILE  11          2HD1      ILE  11   9.010  -2.103  -8.390
   76   2HD1  ILE  11          1HD1      ILE  11  10.319  -1.706  -7.257
   77   3HD1  ILE  11          3HD1      ILE  11   9.123  -2.929  -6.819
   78    H    GLY  12           H        GLY  12   5.934   2.300  -8.800
   79   1HA   GLY  12          1HA       GLY  12   7.480   4.436  -9.679
   80   2HA   GLY  12          2HA       GLY  12   5.720   4.308  -9.833
   81    H    CYS  13           H        CYS  13   5.304   4.340  -6.787
   82    HA   CYS  13           HA       CYS  13   5.640   7.295  -6.468
   83   1HB   CYS  13          1HB       CYS  13   3.408   5.570  -6.373
   84   2HB   CYS  13          2HB       CYS  13   3.767   5.968  -4.708
   85    H    HIS  14           HN       HIS  14   5.747   4.131  -4.782
   86    HA   HIS  14           HA       HIS  14   6.790   5.361  -2.332
   87   1HB   HIS  14          2HB       HIS  14   5.966   2.560  -3.131
   88   2HB   HIS  14          1HB       HIS  14   6.652   2.961  -1.554
   89    HD1  HIS  14           HD1      HIS  14   5.388   4.789  -0.078
   90    HD2  HIS  14           HD2      HIS  14   3.261   3.217  -3.312
   91    HE1  HIS  14           HE1      HIS  14   2.953   5.017   0.501
   92    H    GLY  15           H        GLY  15   8.304   3.846  -5.114
   93   1HA   GLY  15          1HA       GLY  15  10.582   3.722  -5.454
   94   2HA   GLY  15          2HA       GLY  15  10.916   4.040  -3.754
   95    H    ALA  16           H        ALA  16  12.299   2.127  -5.148
   96    HA   ALA  16           HA       ALA  16  11.452  -0.463  -5.336
   97   1HB   ALA  16          3HB       ALA  16  13.665   0.306  -6.041
   98   2HB   ALA  16          2HB       ALA  16  14.170   0.505  -4.348
   99   3HB   ALA  16          1HB       ALA  16  13.809  -1.113  -4.985
  100    H    ASP  17           HN       ASP  17  12.996   0.872  -2.360
  101    HA   ASP  17           HA       ASP  17  11.922  -1.447  -0.821
  102   1HB   ASP  17          1HB       ASP  17  14.021   0.593  -0.032
  103   2HB   ASP  17          2HB       ASP  17  13.548  -0.877   0.838
  104    H    GLY  18           H        GLY  18  10.043   0.465  -1.652
  105   1HA   GLY  18          2HA       GLY  18   8.446   1.913  -0.979
  106   2HA   GLY  18          1HA       GLY  18   8.375   0.837   0.418
  107    H    SER  19           H        SER  19  11.091   3.023  -0.297
  108    HA   SER  19           HA       SER  19  10.909   4.193   2.302
  109   1HB   SER  19          1HB       SER  19  12.945   5.060   0.299
  110   2HB   SER  19          2HB       SER  19  13.127   4.506   1.970
  111    HG   SER  19           HG       SER  19  12.565   2.346   1.073
  112    H    LYS  20           HN       LYS  20   9.889   5.292  -0.896
  113    HA   LYS  20           HA       LYS  20  10.502   8.085  -0.426
  114   1HB   LYS  20          2HB       LYS  20   8.620   6.844  -2.441
  115   2HB   LYS  20          1HB       LYS  20   9.138   8.531  -2.378
  116   1HG   LYS  20          1HG       LYS  20  11.482   7.864  -2.757
  117   2HG   LYS  20          2HG       LYS  20  11.004   6.166  -2.722
  118   1HD   LYS  20          2HD       LYS  20  11.297   6.910  -5.039
  119   2HD   LYS  20          1HD       LYS  20   9.632   6.416  -4.724
  120   1HE   LYS  20          2HE       LYS  20   9.761   8.439  -6.125
  121   2HE   LYS  20          1HE       LYS  20   8.874   8.722  -4.630
  122   1HZ   LYS  20          1HZ       LYS  20  11.684   9.446  -5.112
  123   2HZ   LYS  20          2HZ       LYS  20  10.404  10.485  -5.123
  124   3HZ   LYS  20          3HZ       LYS  20  10.842   9.734  -3.724
  125    H    ALA  21           H        ALA  21   9.560   9.097   1.264
  126    HA   ALA  21           HA       ALA  21   6.713   8.818   1.900
  127   1HB   ALA  21          2HB       ALA  21   8.813  10.858   2.787
  128   2HB   ALA  21          1HB       ALA  21   7.175  10.696   3.457
  129   3HB   ALA  21          3HB       ALA  21   8.351   9.382   3.662
  130    H    ALA  22           H        ALA  22   6.334   9.043  -0.444
  131    HA   ALA  22           HA       ALA  22   6.722  11.558  -1.827
  132   1HB   ALA  22          2HB       ALA  22   5.530   8.896  -2.495
  133   2HB   ALA  22          1HB       ALA  22   5.602  10.265  -3.670
  134   3HB   ALA  22          3HB       ALA  22   7.066   9.571  -2.982
  135    H    MET  23           H        MET  23   3.679  10.572  -2.805
  136    HA   MET  23           HA       MET  23   2.642  13.095  -2.500
  137   1HB   MET  23          2HB       MET  23   1.132  10.466  -2.624
  138   2HB   MET  23          1HB       MET  23   0.355  12.050  -2.684
  139   1HG   MET  23          2HG       MET  23   1.708  12.688  -4.645
  140   2HG   MET  23          1HG       MET  23   2.453  11.086  -4.660
  141   1HE   MET  23          3HE       MET  23   1.856  10.734  -7.168
  142   2HE   MET  23          1HE       MET  23   0.233  10.991  -7.849
  143   3HE   MET  23          2HE       MET  23   1.156  12.373  -7.213
  144    H    GLY  24           H        GLY  24   1.856  14.342  -0.994
  145   1HA   GLY  24          1HA       GLY  24   1.285  15.185   1.028
  146   2HA   GLY  24          2HA       GLY  24   0.317  13.720   1.237
  147    H    SER  25           H        SER  25   3.830  13.373   0.911
  148    HA   SER  25           HA       SER  25   5.405  12.667   2.346
  149   1HB   SER  25          1HB       SER  25   3.927  14.202   4.520
  150   2HB   SER  25          2HB       SER  25   5.600  13.628   4.519
  151    HG   SER  25           HG       SER  25   5.860  14.958   2.566
  152    H    ALA  26           H        ALA  26   3.645  10.876   1.710
  153    HA   ALA  26           HA       ALA  26   2.174   9.410   3.504
  154   1HB   ALA  26          2HB       ALA  26   2.438   8.882   1.105
  155   2HB   ALA  26          3HB       ALA  26   4.105   8.358   1.392
  156   3HB   ALA  26          1HB       ALA  26   2.764   7.445   2.101
  157    H    LYS  27           HN       LYS  27   2.581   8.113   5.325
  158    HA   LYS  27           HA       LYS  27   5.104   7.858   6.575
  159   1HB   LYS  27          1HB       LYS  27   2.745   5.902   6.649
  160   2HB   LYS  27          2HB       LYS  27   4.108   5.889   7.758
  161   1HG   LYS  27          2HG       LYS  27   2.385   8.378   7.479
  162   2HG   LYS  27          1HG       LYS  27   1.914   7.017   8.503
  163   1HD   LYS  27          1HD       LYS  27   3.903   7.270   9.871
  164   2HD   LYS  27          2HD       LYS  27   4.605   8.444   8.746
  165   1HE   LYS  27          1HE       LYS  27   3.638   9.553  10.735
  166   2HE   LYS  27          2HE       LYS  27   2.865  10.078   9.231
  167   1HZ   LYS  27          2HZ       LYS  27   1.781   8.069  11.080
  168   2HZ   LYS  27          1HZ       LYS  27   1.285   9.635  10.962
  169   3HZ   LYS  27          3HZ       LYS  27   1.057   8.605   9.699
  170    HA   PRO  28           HA       PRO  28   6.603   5.549   3.074
  171   1HB   PRO  28          2HB       PRO  28   9.177   4.926   3.851
  172   2HB   PRO  28          1HB       PRO  28   8.638   6.554   3.343
  173   1HG   PRO  28          1HG       PRO  28   8.873   5.488   6.166
  174   2HG   PRO  28          2HG       PRO  28   9.512   7.032   5.524
  175   1HD   PRO  28          1HD       PRO  28   7.152   6.906   6.856
  176   2HD   PRO  28          2HD       PRO  28   7.324   7.981   5.436
  177    H    VAL  29           H        VAL  29   5.530   3.795   2.841
  178    HA   VAL  29           HA       VAL  29   4.666   1.664   3.985
  179    HB   VAL  29           HB       VAL  29   6.282   1.876   1.437
  180   1HG1  VAL  29          3HG1      VAL  29   4.743  -0.600   2.298
  181   2HG1  VAL  29          1HG1      VAL  29   5.283  -0.242   0.640
  182   3HG1  VAL  29          2HG1      VAL  29   6.474  -0.511   1.903
  183   1HG2  VAL  29          2HG2      VAL  29   3.990   3.000   1.716
  184   2HG2  VAL  29          1HG2      VAL  29   4.053   1.822   0.382
  185   3HG2  VAL  29          3HG2      VAL  29   3.304   1.382   1.924
  186    H    LYS  30           HN       LYS  30   8.054   1.779   3.027
  187    HA   LYS  30           HA       LYS  30   9.277  -0.478   3.260
  188   1HB   LYS  30          1HB       LYS  30  10.333   1.714   3.153
  189   2HB   LYS  30          2HB       LYS  30  10.057   1.964   4.871
  190   1HG   LYS  30          2HG       LYS  30  11.533  -0.086   5.293
  191   2HG   LYS  30          1HG       LYS  30  11.659  -0.272   3.542
  192   1HD   LYS  30          2HD       LYS  30  12.840   1.893   3.369
  193   2HD   LYS  30          1HD       LYS  30  12.687   2.116   5.126
  194   1HE   LYS  30          2HE       LYS  30  14.920   1.233   4.589
  195   2HE   LYS  30          1HE       LYS  30  13.996   0.023   5.498
  196   1HZ   LYS  30          2HZ       LYS  30  14.364   0.061   2.585
  197   2HZ   LYS  30          3HZ       LYS  30  15.141  -0.935   3.642
  198   3HZ   LYS  30          1HZ       LYS  30  13.520  -1.086   3.409
  199    H    GLY  31           H        GLY  31   8.100  -2.066   4.395
  200   1HA   GLY  31          2HA       GLY  31   7.483  -3.413   6.084
  201   2HA   GLY  31          1HA       GLY  31   9.029  -2.952   6.779
  202    H    GLN  32           H        GLN  32   5.967  -0.939   6.503
  203    HA   GLN  32           HA       GLN  32   6.104   0.035   9.101
  204   1HB   GLN  32          1HB       GLN  32   3.347  -0.797   8.306
  205   2HB   GLN  32          2HB       GLN  32   3.864   0.651   9.133
  206   1HG   GLN  32          1HG       GLN  32   4.203   0.141   6.153
  207   2HG   GLN  32          2HG       GLN  32   2.787   0.831   6.907
  208   1HE2  GLN  32          1HE2      GLN  32   3.855   3.956   5.952
  209   2HE2  GLN  32          2HE2      GLN  32   2.640   2.719   6.051
  210    H    GLY  33           H        GLY  33   4.354  -2.707   8.116
  211   1HA   GLY  33          2HA       GLY  33   5.267  -4.830   9.594
  212   2HA   GLY  33          1HA       GLY  33   4.087  -4.071  10.688
  213    H    ALA  34           H        ALA  34   4.154  -6.613   8.689
  214    HA   ALA  34           HA       ALA  34   2.249  -6.470   6.746
  215   1HB   ALA  34          1HB       ALA  34   3.424  -8.591   7.359
  216   2HB   ALA  34          2HB       ALA  34   2.411  -8.715   8.808
  217   3HB   ALA  34          3HB       ALA  34   1.680  -8.813   7.193
  218    H    GLU  35           HN       GLU  35   1.558  -6.623  10.229
  219    HA   GLU  35           HA       GLU  35  -1.271  -6.860  10.058
  220   1HB   GLU  35          1HB       GLU  35  -1.146  -5.632  12.307
  221   2HB   GLU  35          2HB       GLU  35  -0.498  -7.268  12.197
  222   1HG   GLU  35          2HG       GLU  35   1.303  -4.800  12.046
  223   2HG   GLU  35          1HG       GLU  35   0.776  -5.511  13.562
  224    H    GLU  36           HN       GLU  36   0.805  -3.905  10.325
  225    HA   GLU  36           HA       GLU  36  -1.225  -1.954  10.383
  226   1HB   GLU  36          2HB       GLU  36   1.754  -2.200   9.690
  227   2HB   GLU  36          1HB       GLU  36   0.918  -0.741   9.419
  228   1HG   GLU  36          2HG       GLU  36   1.046  -2.168  12.112
  229   2HG   GLU  36          1HG       GLU  36   2.199  -0.946  11.546
  230    H    LEU  37           H        LEU  37   0.943  -3.218   7.800
  231    HA   LEU  37           HA       LEU  37   0.052  -1.767   5.652
  232   1HB   LEU  37          2HB       LEU  37   1.284  -4.500   6.177
  233   2HB   LEU  37          1HB       LEU  37   1.040  -3.903   4.581
  234    HG   LEU  37           HG       LEU  37   2.704  -2.437   6.678
  235   1HD1  LEU  37          2HD2      LEU  37   3.563  -4.188   4.349
  236   2HD1  LEU  37          1HD2      LEU  37   4.651  -3.241   5.387
  237   3HD1  LEU  37          3HD2      LEU  37   3.725  -4.590   6.065
  238   1HD2  LEU  37          1HD1      LEU  37   2.132  -1.930   3.761
  239   2HD2  LEU  37          3HD1      LEU  37   2.006  -0.816   5.135
  240   3HD2  LEU  37          2HD1      LEU  37   3.597  -1.304   4.537
  241    H    TYR  38           HN       TYR  38  -0.889  -5.189   6.387
  242    HA   TYR  38           HA       TYR  38  -2.875  -5.516   4.578
  243   1HB   TYR  38          1HB       TYR  38  -2.002  -7.155   6.300
  244   2HB   TYR  38          2HB       TYR  38  -3.069  -6.474   7.462
  245    HD1  TYR  38           HE2      TYR  38  -3.804  -7.264   3.799
  246    HD2  TYR  38           HD1      TYR  38  -4.588  -8.211   7.945
  247    HE1  TYR  38           HE1      TYR  38  -5.788  -8.532   3.131
  248    HE2  TYR  38           HD2      TYR  38  -6.497  -9.619   7.237
  249    HH   TYR  38           HH       TYR  38  -7.611  -9.791   3.841
  250    H    LYS  39           HN       LYS  39  -3.318  -4.456   7.886
  251    HA   LYS  39           HA       LYS  39  -6.077  -3.898   7.760
  252   1HB   LYS  39          1HB       LYS  39  -3.906  -2.546   9.408
  253   2HB   LYS  39          2HB       LYS  39  -5.612  -2.165   9.617
  254   1HG   LYS  39          2HG       LYS  39  -4.545  -5.014   9.833
  255   2HG   LYS  39          1HG       LYS  39  -4.598  -3.896  11.201
  256   1HD   LYS  39          1HD       LYS  39  -7.058  -3.650  10.915
  257   2HD   LYS  39          2HD       LYS  39  -7.019  -4.805   9.568
  258   1HE   LYS  39          2HE       LYS  39  -6.097  -6.548  11.084
  259   2HE   LYS  39          1HE       LYS  39  -6.163  -5.401  12.437
  260   1HZ   LYS  39          2HZ       LYS  39  -8.466  -6.346  10.880
  261   2HZ   LYS  39          1HZ       LYS  39  -8.054  -6.836  12.398
  262   3HZ   LYS  39          3HZ       LYS  39  -8.527  -5.280  12.136
  263    H    LYS  40           HN       LYS  40  -3.452  -1.481   6.942
  264    HA   LYS  40           HA       LYS  40  -5.407   0.517   6.220
  265   1HB   LYS  40          1HB       LYS  40  -2.394   0.068   5.922
  266   2HB   LYS  40          2HB       LYS  40  -3.236   1.330   5.059
  267   1HG   LYS  40          1HG       LYS  40  -2.571   2.482   6.903
  268   2HG   LYS  40          2HG       LYS  40  -4.222   2.035   7.371
  269   1HD   LYS  40          1HD       LYS  40  -3.358   0.189   8.750
  270   2HD   LYS  40          2HD       LYS  40  -1.704   0.600   8.268
  271   1HE   LYS  40          2HE       LYS  40  -3.584   2.393   9.852
  272   2HE   LYS  40          1HE       LYS  40  -2.178   1.507  10.470
  273   1HZ   LYS  40          3HZ       LYS  40  -0.831   2.809   8.892
  274   2HZ   LYS  40          2HZ       LYS  40  -2.162   3.724   8.552
  275   3HZ   LYS  40          1HZ       LYS  40  -1.543   3.709  10.078
  276    H    MET  41           H        MET  41  -3.517  -1.896   4.195
  277    HA   MET  41           HA       MET  41  -4.678  -0.807   1.800
  278   1HB   MET  41          1HB       MET  41  -4.020  -2.924   0.662
  279   2HB   MET  41          2HB       MET  41  -2.842  -1.824   1.302
  280   1HG   MET  41          2HG       MET  41  -3.187  -3.908   3.227
  281   2HG   MET  41          1HG       MET  41  -2.824  -4.681   1.669
  282   1HE   MET  41          2HE       MET  41  -1.582  -3.563  -0.066
  283   2HE   MET  41          3HE       MET  41  -0.803  -2.031   0.368
  284   3HE   MET  41          1HE       MET  41   0.168  -3.496   0.188
  285    H    LYS  42           HN       LYS  42  -5.884  -3.249   4.093
  286    HA   LYS  42           HA       LYS  42  -8.221  -3.885   2.536
  287   1HB   LYS  42          2HB       LYS  42  -7.417  -5.258   4.403
  288   2HB   LYS  42          1HB       LYS  42  -7.803  -3.965   5.557
  289   1HG   LYS  42          1HG       LYS  42 -10.199  -4.068   4.878
  290   2HG   LYS  42          2HG       LYS  42  -9.819  -5.344   3.716
  291   1HD   LYS  42          2HD       LYS  42  -9.514  -5.517   6.755
  292   2HD   LYS  42          1HD       LYS  42 -10.822  -6.218   5.785
  293   1HE   LYS  42          1HE       LYS  42  -9.039  -7.537   4.510
  294   2HE   LYS  42          2HE       LYS  42  -7.877  -6.986   5.737
  295   1HZ   LYS  42          1HZ       LYS  42 -10.305  -8.541   6.272
  296   2HZ   LYS  42          3HZ       LYS  42  -8.766  -9.128   6.206
  297   3HZ   LYS  42          2HZ       LYS  42  -9.191  -8.059   7.393
  298    H    GLY  43           H        GLY  43  -7.422  -1.482   5.048
  299   1HA   GLY  43          1HA       GLY  43  -9.541   0.109   5.658
  300   2HA   GLY  43          2HA       GLY  43  -7.966   0.626   5.196
  301    H    TYR  44           H        TYR  44  -7.378   0.566   2.950
  302    HA   TYR  44           HA       TYR  44  -8.891   2.565   1.555
  303   1HB   TYR  44          1HB       TYR  44  -6.555   0.795   0.775
  304   2HB   TYR  44          2HB       TYR  44  -7.163   2.110  -0.225
  305    HD1  TYR  44           HD1      TYR  44  -7.517   4.415   1.445
  306    HD2  TYR  44           HD2      TYR  44  -4.445   1.394   1.657
  307    HE1  TYR  44           HE1      TYR  44  -5.993   6.017   2.504
  308    HE2  TYR  44           HE2      TYR  44  -2.893   3.052   2.623
  309    HH   TYR  44           HH       TYR  44  -2.524   5.228   3.071
  310    H    ALA  45           H        ALA  45  -8.263  -0.928   0.805
  311    HA   ALA  45           HA       ALA  45  -9.802  -1.000  -1.545
  312   1HB   ALA  45          2HB       ALA  45  -8.264  -2.781  -0.843
  313   2HB   ALA  45          1HB       ALA  45  -9.360  -3.217   0.490
  314   3HB   ALA  45          3HB       ALA  45  -9.881  -3.424  -1.197
  315    H    ASP  46           HN       ASP  46 -10.822  -1.187   1.842
  316    HA   ASP  46           HA       ASP  46 -13.582  -1.919   1.241
  317   1HB   ASP  46          2HB       ASP  46 -12.437  -2.641   3.288
  318   2HB   ASP  46          1HB       ASP  46 -12.167  -0.956   3.757
  319    H    GLY  47           H        GLY  47 -11.803   1.011   0.993
  320   1HA   GLY  47          1HA       GLY  47 -12.438   3.140   0.594
  321   2HA   GLY  47          2HA       GLY  47 -14.108   2.578   0.414
  322    H    SER  48           H        SER  48 -12.385   1.917   3.438
  323    HA   SER  48           HA       SER  48 -14.155   3.860   4.869
  324   1HB   SER  48          1HB       SER  48 -13.322   2.485   6.861
  325   2HB   SER  48          2HB       SER  48 -14.445   1.702   5.735
  326    HG   SER  48           HG       SER  48 -12.997   0.260   5.437
  327    H    TYR  49           H        TYR  49 -10.814   2.609   4.697
  328    HA   TYR  49           HA       TYR  49  -9.731   4.931   6.140
  329   1HB   TYR  49          2HB       TYR  49  -8.721   2.496   6.089
  330   2HB   TYR  49          1HB       TYR  49  -8.222   2.932   4.445
  331    HD1  TYR  49           HD1      TYR  49  -8.157   4.408   7.898
  332    HD2  TYR  49           HD2      TYR  49  -5.964   3.225   4.403
  333    HE1  TYR  49           HE1      TYR  49  -6.069   4.952   9.026
  334    HE2  TYR  49           HE2      TYR  49  -3.881   3.975   5.429
  335    HH   TYR  49           HH       TYR  49  -3.769   5.406   8.728
  336    H    GLY  50           H        GLY  50  -9.025   6.879   5.075
  337   1HA   GLY  50          1HA       GLY  50  -8.033   7.030   2.463
  338   2HA   GLY  50          2HA       GLY  50  -9.776   7.254   2.348
  339    H    GLY  51           H        GLY  51  -8.645   9.387   1.526
  340   1HA   GLY  51          2HA       GLY  51  -9.471  11.578   2.911
  341   2HA   GLY  51          1HA       GLY  51  -7.800  11.338   3.480
  342    H    GLU  52           HN       GLU  52  -8.384  13.599   1.924
  343    HA   GLU  52           HA       GLU  52  -8.305  13.475  -0.817
  344   1HB   GLU  52          2HB       GLU  52  -6.851  15.464   0.987
  345   2HB   GLU  52          1HB       GLU  52  -7.150  15.677  -0.745
  346   1HG   GLU  52          1HG       GLU  52  -9.592  15.551  -0.361
  347   2HG   GLU  52          2HG       GLU  52  -9.326  15.368   1.380
  348    H    ARG  53           HN       ARG  53  -5.321  13.777   1.167
  349    HA   ARG  53           HA       ARG  53  -3.481  13.381  -0.916
  350   1HB   ARG  53          2HB       ARG  53  -1.851  12.919   0.816
  351   2HB   ARG  53          1HB       ARG  53  -2.920  14.235   1.320
  352   1HG   ARG  53          2HG       ARG  53  -4.260  12.398   2.595
  353   2HG   ARG  53          1HG       ARG  53  -2.872  11.345   2.283
  354   1HD   ARG  53          1HD       ARG  53  -2.570  14.063   3.622
  355   2HD   ARG  53          2HD       ARG  53  -2.992  12.634   4.544
  356    HE   ARG  53           HE       ARG  53  -0.385  13.312   3.445
  357   1HH1  ARG  53          2HH1      ARG  53  -2.383  10.556   4.413
  358   2HH1  ARG  53          1HH1      ARG  53  -1.036   9.700   5.144
  359   1HH2  ARG  53          2HH2      ARG  53   1.333  12.175   4.355
  360   2HH2  ARG  53          1HH2      ARG  53   1.074  10.598   5.077
  361    H    LYS  54           HN       LYS  54  -5.526  11.028   0.662
  362    HA   LYS  54           HA       LYS  54  -3.864   8.726  -0.172
  363   1HB   LYS  54          1HB       LYS  54  -6.425   8.475   1.341
  364   2HB   LYS  54          2HB       LYS  54  -4.953   7.487   1.319
  365   1HG   LYS  54          2HG       LYS  54  -3.778   9.334   2.546
  366   2HG   LYS  54          1HG       LYS  54  -5.343  10.173   2.692
  367   1HD   LYS  54          1HD       LYS  54  -6.199   7.985   3.807
  368   2HD   LYS  54          2HD       LYS  54  -4.507   7.515   3.897
  369   1HE   LYS  54          2HE       LYS  54  -5.167   8.423   6.005
  370   2HE   LYS  54          1HE       LYS  54  -4.030   9.553   5.263
  371   1HZ   LYS  54          3HZ       LYS  54  -6.966   9.799   5.241
  372   2HZ   LYS  54          1HZ       LYS  54  -5.947  10.624   6.240
  373   3HZ   LYS  54          2HZ       LYS  54  -5.903  10.895   4.616
  374    H    ALA  55           H        ALA  55  -6.173  10.694  -1.671
  375    HA   ALA  55           HA       ALA  55  -8.108   8.816  -2.496
  376   1HB   ALA  55          1HB       ALA  55  -8.379  11.235  -2.765
  377   2HB   ALA  55          3HB       ALA  55  -7.086  11.276  -3.982
  378   3HB   ALA  55          2HB       ALA  55  -8.601  10.411  -4.321
  379    H    MET  56           H        MET  56  -5.222   9.851  -4.307
  380    HA   MET  56           HA       MET  56  -5.464   8.151  -6.548
  381   1HB   MET  56          1HB       MET  56  -2.968   9.235  -5.138
  382   2HB   MET  56          2HB       MET  56  -2.962   8.398  -6.689
  383   1HG   MET  56          1HG       MET  56  -2.865  10.715  -7.163
  384   2HG   MET  56          2HG       MET  56  -4.450  10.127  -7.649
  385   1HE   MET  56          3HE       MET  56  -3.043  11.326  -4.095
  386   2HE   MET  56          1HE       MET  56  -2.407  12.494  -5.284
  387   3HE   MET  56          2HE       MET  56  -3.642  12.996  -4.109
  388    H    MET  57           H        MET  57  -3.656   7.731  -3.564
  389    HA   MET  57           HA       MET  57  -2.636   5.170  -3.716
  390   1HB   MET  57          1HB       MET  57  -2.075   6.695  -1.970
  391   2HB   MET  57          2HB       MET  57  -3.733   6.882  -1.450
  392   1HG   MET  57          1HG       MET  57  -2.423   5.528   0.125
  393   2HG   MET  57          2HG       MET  57  -3.837   4.705  -0.521
  394   1HE   MET  57          2HE       MET  57  -3.693   2.453  -0.623
  395   2HE   MET  57          1HE       MET  57  -2.353   1.401  -1.092
  396   3HE   MET  57          3HE       MET  57  -2.312   2.210   0.484
  397    H    THR  58           H        THR  58  -5.803   6.140  -2.352
  398    HA   THR  58           HA       THR  58  -6.774   3.597  -1.744
  399    HB   THR  58           HB       THR  58  -8.386   6.039  -2.595
  400    HG1  THR  58           HG1      THR  58  -7.087   6.304  -0.735
  401   1HG2  THR  58          3HG2      THR  58  -9.228   3.510  -1.121
  402   2HG2  THR  58          2HG2      THR  58 -10.210   4.976  -1.284
  403   3HG2  THR  58          1HG2      THR  58  -9.805   4.026  -2.722
  404    H    ASN  59           H        ASN  59  -7.359   5.472  -4.804
  405    HA   ASN  59           HA       ASN  59  -8.823   3.322  -5.981
  406   1HB   ASN  59          1HB       ASN  59  -8.717   5.737  -6.769
  407   2HB   ASN  59          2HB       ASN  59  -7.198   5.325  -7.571
  408   1HD2  ASN  59          1HD2      ASN  59  -9.591   2.848  -9.495
  409   2HD2  ASN  59          2HD2      ASN  59  -8.539   2.382  -8.175
  410    H    ALA  60           H        ALA  60  -5.306   4.058  -5.911
  411    HA   ALA  60           HA       ALA  60  -4.530   2.217  -7.930
  412   1HB   ALA  60          1HB       ALA  60  -3.063   3.988  -6.998
  413   2HB   ALA  60          2HB       ALA  60  -2.935   3.079  -5.477
  414   3HB   ALA  60          3HB       ALA  60  -2.302   2.388  -6.981
  415    H    VAL  61           H        VAL  61  -4.744   1.793  -4.350
  416    HA   VAL  61           HA       VAL  61  -4.096  -1.027  -4.609
  417    HB   VAL  61           HB       VAL  61  -3.442   0.385  -2.727
  418   1HG1  VAL  61          2HG1      VAL  61  -6.377   0.150  -1.881
  419   2HG1  VAL  61          1HG1      VAL  61  -5.042   0.723  -0.874
  420   3HG1  VAL  61          3HG1      VAL  61  -5.520   1.640  -2.308
  421   1HG2  VAL  61          1HG2      VAL  61  -3.511  -2.138  -2.625
  422   2HG2  VAL  61          3HG2      VAL  61  -3.630  -1.311  -1.060
  423   3HG2  VAL  61          2HG2      VAL  61  -5.085  -1.986  -1.815
  424    H    LYS  62           HN       LYS  62  -7.152   0.772  -4.512
  425    HA   LYS  62           HA       LYS  62  -8.946  -1.177  -3.708
  426   1HB   LYS  62          1HB       LYS  62  -9.546   1.153  -4.174
  427   2HB   LYS  62          2HB       LYS  62  -9.182   0.927  -5.884
  428   1HG   LYS  62          2HG       LYS  62 -11.535   0.981  -5.693
  429   2HG   LYS  62          1HG       LYS  62 -11.070  -0.658  -6.093
  430   1HD   LYS  62          1HD       LYS  62 -12.630  -1.097  -4.507
  431   2HD   LYS  62          2HD       LYS  62 -11.237  -1.045  -3.446
  432   1HE   LYS  62          2HE       LYS  62 -13.190   1.262  -3.996
  433   2HE   LYS  62          1HE       LYS  62 -13.251   0.192  -2.595
  434   1HZ   LYS  62          1HZ       LYS  62 -11.118   1.017  -1.914
  435   2HZ   LYS  62          3HZ       LYS  62 -11.047   2.016  -3.228
  436   3HZ   LYS  62          2HZ       LYS  62 -12.199   2.239  -2.076
  437    H    LYS  63           HN       LYS  63  -7.143  -1.041  -6.724
  438    HA   LYS  63           HA       LYS  63  -8.779  -2.725  -8.261
  439   1HB   LYS  63          2HB       LYS  63  -5.758  -2.533  -8.434
  440   2HB   LYS  63          1HB       LYS  63  -6.877  -2.999  -9.714
  441   1HG   LYS  63          1HG       LYS  63  -6.453  -0.252  -8.481
  442   2HG   LYS  63          2HG       LYS  63  -6.129  -0.748 -10.122
  443   1HD   LYS  63          1HD       LYS  63  -8.875  -0.428  -8.809
  444   2HD   LYS  63          2HD       LYS  63  -8.124   0.671  -9.957
  445   1HE   LYS  63          2HE       LYS  63  -8.986  -2.203 -10.566
  446   2HE   LYS  63          1HE       LYS  63  -9.823  -0.729 -11.062
  447   1HZ   LYS  63          1HZ       LYS  63  -7.882  -0.127 -12.328
  448   2HZ   LYS  63          3HZ       LYS  63  -7.121  -1.521 -11.883
  449   3HZ   LYS  63          2HZ       LYS  63  -8.480  -1.586 -12.809
  450    H    ALA  64           H        ALA  64  -6.649  -3.515  -5.573
  451    HA   ALA  64           HA       ALA  64  -6.106  -6.286  -6.360
  452   1HB   ALA  64          2HB       ALA  64  -4.431  -4.833  -5.254
  453   2HB   ALA  64          3HB       ALA  64  -5.486  -4.704  -3.835
  454   3HB   ALA  64          1HB       ALA  64  -4.798  -6.271  -4.282
  455    H    SER  65           H        SER  65  -6.974  -8.075  -5.431
  456    HA   SER  65           HA       SER  65  -9.505  -7.794  -3.899
  457   1HB   SER  65          2HB       SER  65  -9.441  -9.311  -5.871
  458   2HB   SER  65          1HB       SER  65  -8.229 -10.312  -5.034
  459    HG   SER  65           HG       SER  65 -10.326 -11.112  -4.654
  460    H    ASP  66           HN       ASP  66  -9.678  -9.799  -2.246
  461    HA   ASP  66           HA       ASP  66  -8.139  -8.928  -0.017
  462   1HB   ASP  66          1HB       ASP  66 -10.362  -9.997   0.172
  463   2HB   ASP  66          2HB       ASP  66  -9.651 -11.549  -0.304
  464    H    GLU  67           HN       GLU  67  -7.649 -11.907  -2.034
  465    HA   GLU  67           HA       GLU  67  -5.579 -13.035  -0.574
  466   1HB   GLU  67          1HB       GLU  67  -6.319 -12.975  -3.554
  467   2HB   GLU  67          2HB       GLU  67  -5.122 -14.001  -2.820
  468   1HG   GLU  67          2HG       GLU  67  -7.069 -15.341  -3.046
  469   2HG   GLU  67          1HG       GLU  67  -6.861 -15.011  -1.324
  470    H    GLU  68           HN       GLU  68  -5.548 -10.713  -3.283
  471    HA   GLU  68           HA       GLU  68  -2.801 -10.438  -3.620
  472   1HB   GLU  68          2HB       GLU  68  -5.112  -8.480  -4.049
  473   2HB   GLU  68          1HB       GLU  68  -3.534  -8.455  -4.726
  474   1HG   GLU  68          2HG       GLU  68  -5.761 -10.405  -5.337
  475   2HG   GLU  68          1HG       GLU  68  -5.059  -9.207  -6.417
  476    H    LEU  69           H        LEU  69  -5.201  -8.412  -1.756
  477    HA   LEU  69           HA       LEU  69  -3.480  -6.524  -0.751
  478   1HB   LEU  69          2HB       LEU  69  -6.054  -7.831   0.209
  479   2HB   LEU  69          1HB       LEU  69  -5.323  -6.481   1.017
  480    HG   LEU  69           HG       LEU  69  -6.027  -6.324  -1.933
  481   1HD1  LEU  69          2HD2      LEU  69  -7.779  -5.526   0.439
  482   2HD1  LEU  69          1HD2      LEU  69  -8.116  -5.206  -1.278
  483   3HD1  LEU  69          3HD2      LEU  69  -8.114  -6.858  -0.681
  484   1HD2  LEU  69          3HD1      LEU  69  -4.514  -4.558  -1.062
  485   2HD2  LEU  69          1HD1      LEU  69  -6.109  -3.941  -1.526
  486   3HD2  LEU  69          2HD1      LEU  69  -5.736  -4.192   0.188
  487    H    LYS  70           HN       LYS  70  -4.356  -9.746   0.681
  488    HA   LYS  70           HA       LYS  70  -2.812  -9.458   3.069
  489   1HB   LYS  70          2HB       LYS  70  -3.320 -11.932   1.362
  490   2HB   LYS  70          1HB       LYS  70  -2.598 -11.963   2.970
  491   1HG   LYS  70          2HG       LYS  70  -4.652 -11.199   3.998
  492   2HG   LYS  70          1HG       LYS  70  -5.396 -10.944   2.409
  493   1HD   LYS  70          1HD       LYS  70  -4.745 -13.496   2.017
  494   2HD   LYS  70          2HD       LYS  70  -4.677 -13.561   3.782
  495   1HE   LYS  70          1HE       LYS  70  -7.023 -12.617   2.071
  496   2HE   LYS  70          2HE       LYS  70  -6.885 -14.227   2.783
  497   1HZ   LYS  70          1HZ       LYS  70  -7.024 -11.723   4.317
  498   2HZ   LYS  70          3HZ       LYS  70  -8.254 -12.790   4.098
  499   3HZ   LYS  70          2HZ       LYS  70  -6.915 -13.242   4.949
  500    H    ALA  71           H        ALA  71  -1.960 -10.925  -0.096
  501    HA   ALA  71           HA       ALA  71   0.722 -11.431   0.613
  502   1HB   ALA  71          2HB       ALA  71  -0.491 -12.477  -1.299
  503   2HB   ALA  71          3HB       ALA  71  -0.487 -10.913  -2.144
  504   3HB   ALA  71          1HB       ALA  71   1.047 -11.754  -1.825
  505    H    LEU  72           H        LEU  72  -0.738  -8.372  -0.653
  506    HA   LEU  72           HA       LEU  72   1.761  -7.268  -1.447
  507   1HB   LEU  72          2HB       LEU  72  -1.000  -6.688  -1.587
  508   2HB   LEU  72          1HB       LEU  72  -0.389  -5.476  -0.529
  509    HG   LEU  72           HG       LEU  72   0.566  -6.212  -3.348
  510   1HD1  LEU  72          3HD2      LEU  72  -1.690  -5.236  -3.239
  511   2HD1  LEU  72          2HD2      LEU  72  -1.058  -3.854  -2.352
  512   3HD1  LEU  72          1HD2      LEU  72  -0.553  -4.136  -4.037
  513   1HD2  LEU  72          3HD1      LEU  72   1.485  -3.893  -1.606
  514   2HD2  LEU  72          2HD1      LEU  72   2.481  -5.239  -2.180
  515   3HD2  LEU  72          1HD1      LEU  72   1.834  -4.069  -3.335
  516    H    ALA  73           H        ALA  73  -0.347  -6.897   1.480
  517    HA   ALA  73           HA       ALA  73   1.439  -5.445   3.048
  518   1HB   ALA  73          2HB       ALA  73  -0.897  -5.990   3.658
  519   2HB   ALA  73          1HB       ALA  73  -0.456  -7.678   3.942
  520   3HB   ALA  73          3HB       ALA  73   0.231  -6.413   4.970
  521    H    ASP  74           HN       ASP  74   1.182  -9.027   2.807
  522    HA   ASP  74           HA       ASP  74   3.167  -9.673   4.684
  523   1HB   ASP  74          2HB       ASP  74   2.453 -11.165   2.123
  524   2HB   ASP  74          1HB       ASP  74   3.393 -11.822   3.463
  525    H    TYR  75           H        TYR  75   3.562  -9.157   1.144
  526    HA   TYR  75           HA       TYR  75   6.356  -9.610   1.043
  527   1HB   TYR  75          1HB       TYR  75   4.934  -9.528  -0.927
  528   2HB   TYR  75          2HB       TYR  75   4.494  -7.864  -0.625
  529    HD1  TYR  75           HD2      TYR  75   7.548  -9.990  -1.222
  530    HD2  TYR  75           HD1      TYR  75   5.665  -6.143  -1.728
  531    HE1  TYR  75           HE2      TYR  75   9.525  -9.180  -2.486
  532    HE2  TYR  75           HE1      TYR  75   7.667  -5.322  -2.913
  533    HH   TYR  75           HH       TYR  75   9.782  -5.825  -3.684
  534    H    MET  76           H        MET  76   4.669  -6.446   0.988
  535    HA   MET  76           HA       MET  76   6.923  -4.826   1.353
  536   1HB   MET  76          1HB       MET  76   4.031  -4.367   2.159
  537   2HB   MET  76          2HB       MET  76   5.294  -3.125   2.049
  538   1HG   MET  76          2HG       MET  76   5.657  -4.058  -0.375
  539   2HG   MET  76          1HG       MET  76   4.098  -4.809  -0.195
  540   1HE   MET  76          3HE       MET  76   2.195  -3.443   0.986
  541   2HE   MET  76          1HE       MET  76   2.927  -1.993   1.712
  542   3HE   MET  76          2HE       MET  76   1.764  -1.813   0.376
  543    H    SER  77           H        SER  77   5.159  -6.585   3.852
  544    HA   SER  77           HA       SER  77   6.172  -5.206   6.079
  545   1HB   SER  77          2HB       SER  77   4.443  -6.981   6.109
  546   2HB   SER  77          1HB       SER  77   5.723  -8.192   5.943
  547    HG   SER  77           HG       SER  77   6.679  -7.047   7.851
  548    H    LYS  78           HN       LYS  78   8.151  -6.909   3.755
  549    HA   LYS  78           HA       LYS  78  10.423  -6.852   5.684
  550   1HB   LYS  78          2HB       LYS  78   9.872  -9.098   3.682
  551   2HB   LYS  78          1HB       LYS  78  11.264  -8.898   4.741
  552   1HG   LYS  78          1HG       LYS  78  10.130 -10.370   6.056
  553   2HG   LYS  78          2HG       LYS  78   9.344  -8.897   6.643
  554   1HD   LYS  78          1HD       LYS  78   7.600  -9.289   4.776
  555   2HD   LYS  78          2HD       LYS  78   8.362 -10.854   4.500
  556   1HE   LYS  78          1HE       LYS  78   7.874 -11.499   6.866
  557   2HE   LYS  78          2HE       LYS  78   7.111  -9.918   7.127
  558   1HZ   LYS  78          1HZ       LYS  78   5.581 -10.489   5.333
  559   2HZ   LYS  78          3HZ       LYS  78   6.231 -11.998   5.254
  560   3HZ   LYS  78          2HZ       LYS  78   5.461 -11.512   6.630
  561    H    LEU  79           H        LEU  79   9.967  -4.637   4.236
  562    HA   LEU  79           HA       LEU  79  11.722  -4.775   1.901
  563   1HB   LEU  79          1HB       LEU  79   9.165  -5.030   1.578
  564   2HB   LEU  79          2HB       LEU  79   9.015  -3.447   2.337
  565    HG   LEU  79           HG       LEU  79  10.258  -2.391   0.723
  566   1HD1  LEU  79          2HD1      LEU  79  10.487  -5.113  -0.662
  567   2HD1  LEU  79          1HD1      LEU  79  10.761  -3.592  -1.533
  568   3HD1  LEU  79          3HD1      LEU  79  11.822  -4.033  -0.192
  569   1HD2  LEU  79          2HD2      LEU  79   7.795  -2.698   0.476
  570   2HD2  LEU  79          1HD2      LEU  79   8.575  -2.526  -1.110
  571   3HD2  LEU  79          3HD2      LEU  79   8.092  -4.136  -0.531
  572    HHA  HEC   1           HHA      HEM   1   1.106   4.732   3.211
  573    HHB  HEC   1           HHB      HEM   1  -0.145  -0.476  -0.215
  574    HHC  HEC   1           HHC      HEM   1   0.662   3.051  -5.541
  575    HHD  HEC   1           HHD      HEM   1   0.552   8.303  -1.949
  576   1HMA  HEC   1          1HMA      HEM   1   0.049  -0.324   3.642
  577   2HMA  HEC   1          2HMA      HEM   1   0.661  -1.074   2.163
  578   3HMA  HEC   1          3HMA      HEM   1  -1.037  -0.541   2.271
  579   1HAA  HEC   1          1HAA      HEM   1   1.674   1.266   4.411
  580   2HAA  HEC   1          2HAA      HEM   1   1.799   3.011   4.333
  581   1HBA  HEC   1          1HBA      HEM   1  -0.862   1.603   4.751
  582   2HBA  HEC   1          2HBA      HEM   1  -0.488   3.303   5.064
  583   1HMB  HEC   1          1HMB      HEM   1   0.572  -1.815  -2.028
  584   2HMB  HEC   1          2HMB      HEM   1  -1.168  -1.585  -2.351
  585   3HMB  HEC   1          3HMB      HEM   1  -0.038  -1.948  -3.674
  586    HAB  HEC   1           HAB      HEM   1   0.340   1.066  -6.179
  587   1HBB  HEC   1          1HBB      HEM   1  -1.115  -0.664  -6.938
  588   2HBB  HEC   1          2HBB      HEM   1  -1.975   0.322  -5.737
  589   3HBB  HEC   1          3HBB      HEM   1  -1.366  -1.279  -5.298
  590   1HMC  HEC   1          1HMC      HEM   1   0.694   6.682  -6.862
  591   2HMC  HEC   1          2HMC      HEM   1  -0.351   5.282  -6.662
  592   3HMC  HEC   1          3HMC      HEM   1   1.382   5.035  -6.883
  593    HAC  HEC   1           HAC      HEM   1   1.513   8.847  -4.427
  594   1HBC  HEC   1          1HBC      HEM   1   3.635   7.306  -2.977
  595   2HBC  HEC   1          2HBC      HEM   1   2.674   8.681  -2.410
  596   3HBC  HEC   1          3HBC      HEM   1   3.833   8.898  -3.727
  597   1HMD  HEC   1          1HMD      HEM   1   0.173   9.758   1.192
  598   2HMD  HEC   1          2HMD      HEM   1  -0.554   9.476  -0.400
  599   3HMD  HEC   1          3HMD      HEM   1  -1.505   9.204   1.062
  600   1HAD  HEC   1          1HAD      HEM   1  -1.360   7.154   3.420
  601   2HAD  HEC   1          2HAD      HEM   1  -0.181   8.433   3.256
  602   1HBD  HEC   1          1HBD      HEM   1   0.188   5.790   4.734
  603   2HBD  HEC   1          2HBD      HEM   1   1.556   6.765   4.199
   
  No H/Q in entry =         603
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1   4.652 -12.443  -8.785
    2   2H    ALA   1          3H        ALA   1   4.900 -13.875  -9.607
    3   3H    ALA   1          2H        ALA   1   3.558 -12.939  -9.888
    4    HA   ALA   1           HA       ALA   1   2.781 -14.643  -8.539
    5   1HB   ALA   1          3HB       ALA   1   4.999 -15.418  -7.736
    6   2HB   ALA   1          2HB       ALA   1   5.128 -13.976  -6.703
    7   3HB   ALA   1          1HB       ALA   1   3.868 -15.186  -6.392
    8    H    ASP   2           HN       ASP   2   1.530 -14.288  -6.438
    9    HA   ASP   2           HA       ASP   2   0.257 -11.853  -6.368
   10   1HB   ASP   2          2HB       ASP   2   0.652 -13.802  -4.052
   11   2HB   ASP   2          1HB       ASP   2  -0.594 -12.553  -4.150
   12    H    GLY   3           H        GLY   3   0.336 -10.035  -5.040
   13   1HA   GLY   3          2HA       GLY   3   1.183  -8.453  -3.606
   14   2HA   GLY   3          1HA       GLY   3   2.431  -9.579  -3.056
   15    H    ALA   4           H        ALA   4   3.945 -10.227  -4.857
   16    HA   ALA   4           HA       ALA   4   5.642  -8.036  -5.458
   17   1HB   ALA   4          1HB       ALA   4   6.405 -10.379  -5.279
   18   2HB   ALA   4          2HB       ALA   4   5.565 -10.780  -6.788
   19   3HB   ALA   4          3HB       ALA   4   6.927  -9.637  -6.805
   20    H    ALA   5           H        ALA   5   3.479  -9.884  -7.629
   21    HA   ALA   5           HA       ALA   5   4.002  -8.566 -10.040
   22   1HB   ALA   5          2HB       ALA   5   1.388  -9.770  -9.035
   23   2HB   ALA   5          1HB       ALA   5   1.754  -9.362 -10.725
   24   3HB   ALA   5          3HB       ALA   5   2.688 -10.622  -9.904
   25    H    LEU   6           H        LEU   6   2.088  -7.409  -7.292
   26    HA   LEU   6           HA       LEU   6   0.893  -5.226  -8.921
   27   1HB   LEU   6          1HB       LEU   6   0.597  -5.784  -5.952
   28   2HB   LEU   6          2HB       LEU   6  -0.319  -4.653  -6.949
   29    HG   LEU   6           HG       LEU   6  -0.741  -7.045  -8.291
   30   1HD1  LEU   6          2HD1      LEU   6   0.476  -8.300  -6.463
   31   2HD1  LEU   6          3HD1      LEU   6  -0.704  -7.682  -5.288
   32   3HD1  LEU   6          1HD1      LEU   6  -1.214  -8.748  -6.604
   33   1HD2  LEU   6          3HD2      LEU   6  -2.346  -5.955  -5.956
   34   2HD2  LEU   6          2HD2      LEU   6  -2.472  -5.409  -7.645
   35   3HD2  LEU   6          1HD2      LEU   6  -2.954  -7.059  -7.212
   36    H    TYR   7           H        TYR   7   2.965  -5.797  -6.073
   37    HA   TYR   7           HA       TYR   7   3.600  -3.262  -5.373
   38   1HB   TYR   7          1HB       TYR   7   4.236  -5.352  -4.148
   39   2HB   TYR   7          2HB       TYR   7   5.589  -5.534  -5.264
   40    HD1  TYR   7           HD1      TYR   7   3.984  -2.836  -3.138
   41    HD2  TYR   7           HD2      TYR   7   7.659  -4.598  -4.549
   42    HE1  TYR   7           HE1      TYR   7   5.274  -1.014  -2.084
   43    HE2  TYR   7           HE2      TYR   7   8.945  -2.916  -3.267
   44    HH   TYR   7           HH       TYR   7   8.834  -1.129  -1.787
   45    H    LYS   8           HN       LYS   8   5.237  -5.137  -7.964
   46    HA   LYS   8           HA       LYS   8   7.341  -3.445  -8.510
   47   1HB   LYS   8          1HB       LYS   8   7.335  -4.349 -10.740
   48   2HB   LYS   8          2HB       LYS   8   6.923  -5.590  -9.561
   49   1HG   LYS   8          1HG       LYS   8   5.284  -6.103 -11.000
   50   2HG   LYS   8          2HG       LYS   8   4.397  -4.809 -10.211
   51   1HD   LYS   8          2HD       LYS   8   5.077  -3.211 -11.986
   52   2HD   LYS   8          1HD       LYS   8   6.131  -4.434 -12.707
   53   1HE   LYS   8          1HE       LYS   8   4.057  -4.221 -13.973
   54   2HE   LYS   8          2HE       LYS   8   4.187  -5.839 -13.262
   55   1HZ   LYS   8          1HZ       LYS   8   2.624  -3.631 -12.104
   56   2HZ   LYS   8          2HZ       LYS   8   2.001  -4.844 -13.036
   57   3HZ   LYS   8          3HZ       LYS   8   2.678  -5.189 -11.576
   58    H    SER   9           H        SER   9   3.934  -2.766  -9.172
   59    HA   SER   9           HA       SER   9   4.468  -0.441 -10.850
   60   1HB   SER   9          1HB       SER   9   1.835  -0.813  -9.448
   61   2HB   SER   9          2HB       SER   9   2.189  -0.360 -11.120
   62    HG   SER   9           HG       SER   9   2.172  -2.907  -9.884
   63    H    CYS  10           H        CYS  10   3.643  -1.165  -7.481
   64    HA   CYS  10           HA       CYS  10   2.937   1.454  -6.598
   65   1HB   CYS  10          2HB       CYS  10   4.022  -0.804  -4.913
   66   2HB   CYS  10          1HB       CYS  10   2.966   0.467  -4.387
   67    H    ILE  11           H        ILE  11   5.900  -0.438  -6.758
   68    HA   ILE  11           HA       ILE  11   7.708   1.043  -5.343
   69    HB   ILE  11           HB       ILE  11   7.918  -0.424  -7.967
   70   1HG1  ILE  11          1HG1      ILE  11   8.881  -0.928  -5.113
   71   2HG1  ILE  11          2HG1      ILE  11   7.569  -1.744  -5.939
   72   1HG2  ILE  11          1HG2      ILE  11  10.297   0.838  -6.558
   73   2HG2  ILE  11          2HG2      ILE  11  10.379  -0.308  -7.907
   74   3HG2  ILE  11          3HG2      ILE  11   9.679   1.269  -8.165
   75   1HD1  ILE  11          2HD1      ILE  11   9.299  -2.617  -7.613
   76   2HD1  ILE  11          3HD1      ILE  11  10.538  -2.035  -6.477
   77   3HD1  ILE  11          1HD1      ILE  11   9.380  -3.266  -5.964
   78    H    GLY  12           H        GLY  12   6.207   1.949  -8.438
   79   1HA   GLY  12          2HA       GLY  12   7.791   3.958  -9.437
   80   2HA   GLY  12          1HA       GLY  12   6.018   3.981  -9.431
   81    H    CYS  13           H        CYS  13   5.673   4.095  -6.567
   82    HA   CYS  13           HA       CYS  13   6.613   6.911  -6.008
   83   1HB   CYS  13          2HB       CYS  13   4.206   5.396  -4.999
   84   2HB   CYS  13          1HB       CYS  13   4.790   6.906  -4.309
   85    H    HIS  14           HN       HIS  14   6.035   3.652  -4.602
   86    HA   HIS  14           HA       HIS  14   7.079   4.331  -2.058
   87   1HB   HIS  14          2HB       HIS  14   6.421   1.711  -3.401
   88   2HB   HIS  14          1HB       HIS  14   7.067   1.794  -1.758
   89    HD1  HIS  14           HD1      HIS  14   5.781   3.482  -0.067
   90    HD2  HIS  14           HD2      HIS  14   3.653   2.454  -3.511
   91    HE1  HIS  14           HE1      HIS  14   3.388   4.076   0.338
   92    H    GLY  15           H        GLY  15   8.959   3.798  -4.870
   93   1HA   GLY  15          2HA       GLY  15  11.247   3.963  -5.045
   94   2HA   GLY  15          1HA       GLY  15  11.232   4.540  -3.362
   95    H    ALA  16           H        ALA  16  10.209   1.377  -4.565
   96    HA   ALA  16           HA       ALA  16  10.906  -0.750  -4.254
   97   1HB   ALA  16          3HB       ALA  16  12.970  -0.030  -5.336
   98   2HB   ALA  16          2HB       ALA  16  13.681   0.391  -3.766
   99   3HB   ALA  16          1HB       ALA  16  13.254  -1.289  -4.121
  100    H    ASP  17           HN       ASP  17  12.839   0.966  -1.790
  101    HA   ASP  17           HA       ASP  17  12.560  -1.061   0.193
  102   1HB   ASP  17          1HB       ASP  17  13.289   1.891   0.427
  103   2HB   ASP  17          2HB       ASP  17  13.419   0.706   1.734
  104    H    GLY  18           H        GLY  18  10.790   2.013  -0.295
  105   1HA   GLY  18          2HA       GLY  18   8.409   2.023   0.262
  106   2HA   GLY  18          1HA       GLY  18   8.782   1.173   1.753
  107    H    SER  19           H        SER  19  11.352   3.024   1.873
  108    HA   SER  19           HA       SER  19  10.156   5.023   3.574
  109   1HB   SER  19          2HB       SER  19  13.048   4.760   2.679
  110   2HB   SER  19          1HB       SER  19  12.438   5.595   4.116
  111    HG   SER  19           HG       SER  19  11.692   3.545   4.867
  112    H    LYS  20           HN       LYS  20   9.168   5.451   0.995
  113    HA   LYS  20           HA       LYS  20  10.634   7.562  -0.341
  114   1HB   LYS  20          1HB       LYS  20   8.996   7.473  -1.925
  115   2HB   LYS  20          2HB       LYS  20   9.064   5.821  -1.330
  116   1HG   LYS  20          1HG       LYS  20   6.996   7.962  -0.694
  117   2HG   LYS  20          2HG       LYS  20   6.795   6.534  -1.665
  118   1HD   LYS  20          1HD       LYS  20   6.977   5.101   0.323
  119   2HD   LYS  20          2HD       LYS  20   7.284   6.507   1.358
  120   1HE   LYS  20          1HE       LYS  20   5.129   7.494   0.762
  121   2HE   LYS  20          2HE       LYS  20   4.738   6.104  -0.250
  122   1HZ   LYS  20          2HZ       LYS  20   4.944   4.753   1.778
  123   2HZ   LYS  20          1HZ       LYS  20   5.170   6.114   2.673
  124   3HZ   LYS  20          3HZ       LYS  20   3.756   5.887   1.879
  125    H    ALA  21           H        ALA  21   9.282   9.526  -0.979
  126    HA   ALA  21           HA       ALA  21   7.614  10.753   1.173
  127   1HB   ALA  21          2HB       ALA  21   9.833  12.092  -0.467
  128   2HB   ALA  21          1HB       ALA  21   8.650  12.932   0.560
  129   3HB   ALA  21          3HB       ALA  21   9.836  11.831   1.290
  130    H    ALA  22           H        ALA  22   5.878   9.910  -0.013
  131    HA   ALA  22           HA       ALA  22   5.736  10.217  -2.922
  132   1HB   ALA  22          1HB       ALA  22   4.993   8.149  -1.828
  133   2HB   ALA  22          2HB       ALA  22   3.742   9.034  -0.944
  134   3HB   ALA  22          3HB       ALA  22   3.690   8.893  -2.720
  135    H    MET  23           H        MET  23   2.752  10.631  -2.816
  136    HA   MET  23           HA       MET  23   2.838  13.481  -3.155
  137   1HB   MET  23          2HB       MET  23   0.504  13.261  -3.796
  138   2HB   MET  23          1HB       MET  23   1.570  12.149  -4.654
  139   1HG   MET  23          1HG       MET  23   0.820  10.275  -3.231
  140   2HG   MET  23          2HG       MET  23  -0.257  11.355  -2.345
  141   1HE   MET  23          2HE       MET  23  -2.139  12.676  -3.405
  142   2HE   MET  23          3HE       MET  23  -1.509  13.114  -5.013
  143   3HE   MET  23          1HE       MET  23  -3.015  12.182  -4.868
  144    H    GLY  24           H        GLY  24   3.643  13.633  -0.776
  145   1HA   GLY  24          2HA       GLY  24   2.649  15.412   0.738
  146   2HA   GLY  24          1HA       GLY  24   1.363  14.235   1.065
  147    H    SER  25           H        SER  25   2.308  14.681   3.329
  148    HA   SER  25           HA       SER  25   4.806  13.461   4.102
  149   1HB   SER  25          2HB       SER  25   3.612  13.876   6.388
  150   2HB   SER  25          1HB       SER  25   4.085  15.269   5.399
  151    HG   SER  25           HG       SER  25   1.905  15.439   6.119
  152    H    ALA  26           H        ALA  26   4.085  11.492   2.769
  153    HA   ALA  26           HA       ALA  26   2.105   9.695   3.878
  154   1HB   ALA  26          2HB       ALA  26   4.347   9.325   1.862
  155   2HB   ALA  26          3HB       ALA  26   3.081   8.121   2.201
  156   3HB   ALA  26          1HB       ALA  26   2.651   9.700   1.499
  157    H    LYS  27           HN       LYS  27   2.420   8.158   5.541
  158    HA   LYS  27           HA       LYS  27   4.901   8.158   6.946
  159   1HB   LYS  27          1HB       LYS  27   3.182   5.720   7.136
  160   2HB   LYS  27          2HB       LYS  27   4.019   6.610   8.399
  161   1HG   LYS  27          1HG       LYS  27   1.404   7.253   7.040
  162   2HG   LYS  27          2HG       LYS  27   1.645   6.782   8.700
  163   1HD   LYS  27          2HD       LYS  27   2.791   8.885   9.245
  164   2HD   LYS  27          1HD       LYS  27   2.671   9.437   7.569
  165   1HE   LYS  27          1HE       LYS  27   0.163   9.252   7.724
  166   2HE   LYS  27          2HE       LYS  27   0.343   8.908   9.454
  167   1HZ   LYS  27          3HZ       LYS  27   1.271  11.326   8.061
  168   2HZ   LYS  27          1HZ       LYS  27  -0.069  11.216   9.014
  169   3HZ   LYS  27          2HZ       LYS  27   1.429  11.032   9.676
  170    HA   PRO  28           HA       PRO  28   7.085   5.613   4.099
  171   1HB   PRO  28          2HB       PRO  28   9.084   4.447   5.650
  172   2HB   PRO  28          1HB       PRO  28   9.061   6.196   5.247
  173   1HG   PRO  28          2HG       PRO  28   8.016   4.877   7.764
  174   2HG   PRO  28          1HG       PRO  28   9.123   6.277   7.642
  175   1HD   PRO  28          1HD       PRO  28   6.453   6.612   8.004
  176   2HD   PRO  28          2HD       PRO  28   7.353   7.706   6.908
  177    H    VAL  29           H        VAL  29   6.947   3.598   3.254
  178    HA   VAL  29           HA       VAL  29   5.067   1.770   4.582
  179    HB   VAL  29           HB       VAL  29   6.151   2.262   1.841
  180   1HG1  VAL  29          2HG1      VAL  29   6.839  -0.113   2.042
  181   2HG1  VAL  29          3HG1      VAL  29   5.176  -0.518   2.529
  182   3HG1  VAL  29          1HG1      VAL  29   5.521   0.154   0.914
  183   1HG2  VAL  29          2HG2      VAL  29   3.490   1.299   2.995
  184   2HG2  VAL  29          3HG2      VAL  29   3.896   2.975   2.562
  185   3HG2  VAL  29          1HG2      VAL  29   3.753   1.718   1.305
  186    H    LYS  30           HN       LYS  30   8.492   1.917   3.942
  187    HA   LYS  30           HA       LYS  30   9.328  -0.640   3.799
  188   1HB   LYS  30          2HB       LYS  30  10.734   1.353   3.694
  189   2HB   LYS  30          1HB       LYS  30  10.698   1.491   5.465
  190   1HG   LYS  30          1HG       LYS  30  11.689  -0.848   5.579
  191   2HG   LYS  30          2HG       LYS  30  11.795  -0.847   3.819
  192   1HD   LYS  30          1HD       LYS  30  13.240   1.238   3.988
  193   2HD   LYS  30          2HD       LYS  30  13.224   1.043   5.745
  194   1HE   LYS  30          1HE       LYS  30  14.316  -0.937   3.682
  195   2HE   LYS  30          2HE       LYS  30  15.272   0.086   4.771
  196   1HZ   LYS  30          2HZ       LYS  30  14.206  -1.127   6.608
  197   2HZ   LYS  30          3HZ       LYS  30  13.487  -2.124   5.498
  198   3HZ   LYS  30          1HZ       LYS  30  15.124  -2.093   5.630
  199    H    GLY  31           H        GLY  31   8.338  -2.277   4.956
  200   1HA   GLY  31          1HA       GLY  31   7.689  -3.578   6.670
  201   2HA   GLY  31          2HA       GLY  31   9.187  -3.040   7.400
  202    H    GLN  32           H        GLN  32   6.141  -1.187   6.840
  203    HA   GLN  32           HA       GLN  32   5.943  -0.198   9.487
  204   1HB   GLN  32          1HB       GLN  32   3.374  -1.024   8.095
  205   2HB   GLN  32          2HB       GLN  32   3.675   0.314   9.197
  206   1HG   GLN  32          2HG       GLN  32   5.228   1.217   7.362
  207   2HG   GLN  32          1HG       GLN  32   4.448   0.037   6.299
  208   1HE2  GLN  32          1HE2      GLN  32   2.613   3.439   6.151
  209   2HE2  GLN  32          2HE2      GLN  32   4.325   3.163   6.400
  210    H    GLY  33           H        GLY  33   4.551  -2.921   8.120
  211   1HA   GLY  33          1HA       GLY  33   5.346  -5.124   9.411
  212   2HA   GLY  33          2HA       GLY  33   4.112  -4.609  10.570
  213    H    ALA  34           H        ALA  34   4.177  -6.952   8.736
  214    HA   ALA  34           HA       ALA  34   2.346  -6.806   6.713
  215   1HB   ALA  34          1HB       ALA  34   3.560  -8.838   7.379
  216   2HB   ALA  34          2HB       ALA  34   2.560  -8.965   8.843
  217   3HB   ALA  34          3HB       ALA  34   1.816  -9.155   7.230
  218    H    GLU  35           HN       GLU  35   1.517  -7.012  10.224
  219    HA   GLU  35           HA       GLU  35  -1.261  -7.281   9.947
  220   1HB   GLU  35          1HB       GLU  35   0.570  -6.075  12.101
  221   2HB   GLU  35          2HB       GLU  35  -1.144  -6.365  12.259
  222   1HG   GLU  35          2HG       GLU  35  -0.056  -8.196  13.318
  223   2HG   GLU  35          1HG       GLU  35  -0.798  -8.805  11.836
  224    H    GLU  36           HN       GLU  36   0.845  -4.369  10.446
  225    HA   GLU  36           HA       GLU  36  -1.077  -2.368  10.556
  226   1HB   GLU  36          2HB       GLU  36   1.872  -2.718   9.786
  227   2HB   GLU  36          1HB       GLU  36   1.107  -1.193   9.648
  228   1HG   GLU  36          2HG       GLU  36   1.236  -2.815  12.223
  229   2HG   GLU  36          1HG       GLU  36   2.401  -1.574  11.732
  230    H    LEU  37           H        LEU  37   0.987  -3.515   7.888
  231    HA   LEU  37           HA       LEU  37  -0.074  -1.846   5.864
  232   1HB   LEU  37          1HB       LEU  37   1.318  -4.547   5.789
  233   2HB   LEU  37          2HB       LEU  37   0.895  -3.640   4.331
  234    HG   LEU  37           HG       LEU  37   2.533  -2.296   6.492
  235   1HD1  LEU  37          3HD2      LEU  37   3.579  -4.142   4.326
  236   2HD1  LEU  37          1HD2      LEU  37   4.587  -3.036   5.291
  237   3HD1  LEU  37          2HD2      LEU  37   3.734  -4.378   6.064
  238   1HD2  LEU  37          3HD1      LEU  37   2.376  -2.002   3.459
  239   2HD2  LEU  37          2HD1      LEU  37   1.673  -0.895   4.663
  240   3HD2  LEU  37          1HD1      LEU  37   3.428  -1.061   4.525
  241    H    TYR  38           HN       TYR  38  -0.871  -5.345   6.500
  242    HA   TYR  38           HA       TYR  38  -2.798  -5.709   4.655
  243   1HB   TYR  38          1HB       TYR  38  -2.013  -7.351   6.337
  244   2HB   TYR  38          2HB       TYR  38  -3.052  -6.667   7.517
  245    HD1  TYR  38           HD1      TYR  38  -4.226  -7.047   3.934
  246    HD2  TYR  38           HE2      TYR  38  -4.237  -8.748   7.917
  247    HE1  TYR  38           HD2      TYR  38  -6.173  -8.372   3.356
  248    HE2  TYR  38           HE1      TYR  38  -6.151 -10.182   7.262
  249    HH   TYR  38           HH       TYR  38  -7.676  -9.980   4.030
  250    H    LYS  39           HN       LYS  39  -3.339  -4.677   7.954
  251    HA   LYS  39           HA       LYS  39  -6.047  -4.021   7.913
  252   1HB   LYS  39          2HB       LYS  39  -4.328  -3.974   9.821
  253   2HB   LYS  39          1HB       LYS  39  -3.942  -2.329   9.348
  254   1HG   LYS  39          2HG       LYS  39  -6.253  -1.621   9.771
  255   2HG   LYS  39          1HG       LYS  39  -6.716  -3.295  10.166
  256   1HD   LYS  39          1HD       LYS  39  -5.043  -3.357  11.980
  257   2HD   LYS  39          2HD       LYS  39  -4.554  -1.697  11.619
  258   1HE   LYS  39          2HE       LYS  39  -7.342  -2.570  12.549
  259   2HE   LYS  39          1HE       LYS  39  -6.096  -1.847  13.580
  260   1HZ   LYS  39          1HZ       LYS  39  -6.177   0.109  12.206
  261   2HZ   LYS  39          2HZ       LYS  39  -7.368  -0.550  11.275
  262   3HZ   LYS  39          3HZ       LYS  39  -7.652  -0.221  12.863
  263    H    LYS  40           HN       LYS  40  -3.329  -1.826   7.108
  264    HA   LYS  40           HA       LYS  40  -5.055   0.338   6.329
  265   1HB   LYS  40          2HB       LYS  40  -2.114  -0.240   6.020
  266   2HB   LYS  40          1HB       LYS  40  -2.852   0.934   4.951
  267   1HG   LYS  40          1HG       LYS  40  -2.224   2.310   6.706
  268   2HG   LYS  40          2HG       LYS  40  -3.906   2.026   7.051
  269   1HD   LYS  40          2HD       LYS  40  -2.869   1.784   9.140
  270   2HD   LYS  40          1HD       LYS  40  -3.091   0.117   8.608
  271   1HE   LYS  40          2HE       LYS  40  -0.861   0.263   9.469
  272   2HE   LYS  40          1HE       LYS  40  -0.664   0.241   7.706
  273   1HZ   LYS  40          2HZ       LYS  40  -0.523   2.671   7.837
  274   2HZ   LYS  40          3HZ       LYS  40  -0.505   2.564   9.482
  275   3HZ   LYS  40          1HZ       LYS  40   0.701   1.873   8.583
  276    H    MET  41           H        MET  41  -3.437  -2.152   4.082
  277    HA   MET  41           HA       MET  41  -4.672  -1.086   1.834
  278   1HB   MET  41          1HB       MET  41  -4.736  -3.847   1.386
  279   2HB   MET  41          2HB       MET  41  -3.603  -2.638   0.844
  280   1HG   MET  41          2HG       MET  41  -3.164  -4.159   3.348
  281   2HG   MET  41          1HG       MET  41  -2.618  -4.780   1.784
  282   1HE   MET  41          2HE       MET  41  -1.302  -3.583   0.080
  283   2HE   MET  41          3HE       MET  41  -1.611  -1.855   0.371
  284   3HE   MET  41          1HE       MET  41   0.033  -2.484   0.516
  285    H    LYS  42           HN       LYS  42  -6.070  -3.393   4.238
  286    HA   LYS  42           HA       LYS  42  -8.562  -3.743   2.859
  287   1HB   LYS  42          1HB       LYS  42  -7.914  -3.761   5.836
  288   2HB   LYS  42          2HB       LYS  42  -9.488  -4.161   5.148
  289   1HG   LYS  42          2HG       LYS  42  -8.393  -6.013   3.820
  290   2HG   LYS  42          1HG       LYS  42  -6.875  -5.623   4.623
  291   1HD   LYS  42          2HD       LYS  42  -7.522  -7.156   6.167
  292   2HD   LYS  42          1HD       LYS  42  -8.493  -5.854   6.828
  293   1HE   LYS  42          1HE       LYS  42  -9.427  -7.982   4.832
  294   2HE   LYS  42          2HE       LYS  42  -9.799  -7.940   6.561
  295   1HZ   LYS  42          2HZ       LYS  42 -10.956  -5.876   6.201
  296   2HZ   LYS  42          3HZ       LYS  42 -10.627  -5.929   4.589
  297   3HZ   LYS  42          1HZ       LYS  42 -11.591  -7.078   5.269
  298    H    GLY  43           H        GLY  43  -7.492  -1.365   5.322
  299   1HA   GLY  43          2HA       GLY  43  -9.789   0.140   5.678
  300   2HA   GLY  43          1HA       GLY  43  -8.127   0.758   5.759
  301    H    TYR  44           H        TYR  44  -7.224   0.618   3.222
  302    HA   TYR  44           HA       TYR  44  -8.476   2.834   1.876
  303   1HB   TYR  44          1HB       TYR  44  -6.379   0.793   1.061
  304   2HB   TYR  44          2HB       TYR  44  -7.016   1.998  -0.055
  305    HD1  TYR  44           HD1      TYR  44  -6.856   4.466   0.513
  306    HD2  TYR  44           HD2      TYR  44  -4.429   1.418   2.343
  307    HE1  TYR  44           HE1      TYR  44  -5.013   6.107   0.820
  308    HE2  TYR  44           HE2      TYR  44  -2.674   3.116   2.815
  309    HH   TYR  44           HH       TYR  44  -1.912   5.219   2.347
  310    H    ALA  45           H        ALA  45  -8.360  -0.699   1.092
  311    HA   ALA  45           HA       ALA  45  -9.954  -0.630  -1.208
  312   1HB   ALA  45          2HB       ALA  45  -8.641  -2.579  -0.491
  313   2HB   ALA  45          3HB       ALA  45  -9.753  -2.842   0.873
  314   3HB   ALA  45          1HB       ALA  45 -10.334  -3.018  -0.795
  315    H    ASP  46           HN       ASP  46 -10.962  -0.741   2.218
  316    HA   ASP  46           HA       ASP  46 -13.802  -0.913   1.604
  317   1HB   ASP  46          1HB       ASP  46 -12.214  -0.485   4.179
  318   2HB   ASP  46          2HB       ASP  46 -13.941  -0.796   4.076
  319    H    GLY  47           H        GLY  47 -11.903   1.578   0.903
  320   1HA   GLY  47          1HA       GLY  47 -12.068   3.830   0.836
  321   2HA   GLY  47          2HA       GLY  47 -13.819   3.560   0.816
  322    H    SER  48           H        SER  48 -11.604   2.777   3.483
  323    HA   SER  48           HA       SER  48 -13.067   4.709   5.253
  324   1HB   SER  48          2HB       SER  48 -11.726   2.053   5.905
  325   2HB   SER  48          1HB       SER  48 -12.552   3.129   7.048
  326    HG   SER  48           HG       SER  48 -13.830   2.073   4.720
  327    H    TYR  49           H        TYR  49  -9.874   3.073   4.899
  328    HA   TYR  49           HA       TYR  49  -8.566   5.244   6.421
  329   1HB   TYR  49          2HB       TYR  49  -7.834   2.841   6.669
  330   2HB   TYR  49          1HB       TYR  49  -7.286   2.885   4.997
  331    HD1  TYR  49           HD2      TYR  49  -6.853   4.516   8.344
  332    HD2  TYR  49           HD1      TYR  49  -5.131   3.765   4.473
  333    HE1  TYR  49           HE2      TYR  49  -4.751   5.607   9.064
  334    HE2  TYR  49           HE1      TYR  49  -3.034   4.873   5.181
  335    HH   TYR  49           HH       TYR  49  -1.904   5.928   6.926
  336    H    GLY  50           H        GLY  50  -9.478   6.833   4.800
  337   1HA   GLY  50          2HA       GLY  50  -7.397   7.359   2.795
  338   2HA   GLY  50          1HA       GLY  50  -9.006   7.079   2.136
  339    H    GLY  51           H        GLY  51  -8.956   9.323   1.345
  340   1HA   GLY  51          2HA       GLY  51 -10.184  11.365   2.602
  341   2HA   GLY  51          1HA       GLY  51  -8.498  11.551   3.149
  342    H    GLU  52           HN       GLU  52  -8.306  13.517   1.888
  343    HA   GLU  52           HA       GLU  52  -8.881  13.702  -0.867
  344   1HB   GLU  52          2HB       GLU  52  -8.719  15.583   0.664
  345   2HB   GLU  52          1HB       GLU  52  -6.976  15.386   0.827
  346   1HG   GLU  52          2HG       GLU  52  -8.401  15.921  -1.830
  347   2HG   GLU  52          1HG       GLU  52  -7.818  17.199  -0.759
  348    H    ARG  53           HN       ARG  53  -5.472  14.002   0.270
  349    HA   ARG  53           HA       ARG  53  -4.327  13.363  -2.159
  350   1HB   ARG  53          2HB       ARG  53  -2.259  13.122  -1.023
  351   2HB   ARG  53          1HB       ARG  53  -3.189  14.324  -0.129
  352   1HG   ARG  53          1HG       ARG  53  -3.811  12.431   1.509
  353   2HG   ARG  53          2HG       ARG  53  -2.652  11.409   0.624
  354   1HD   ARG  53          2HD       ARG  53  -0.907  13.196   1.059
  355   2HD   ARG  53          1HD       ARG  53  -2.085  13.969   2.147
  356    HE   ARG  53           HE       ARG  53  -1.684  11.153   2.740
  357   1HH1  ARG  53          2HH2      ARG  53  -0.298  14.361   3.209
  358   2HH1  ARG  53          1HH2      ARG  53   0.747  13.888   4.528
  359   1HH2  ARG  53          1HH1      ARG  53  -0.294  10.495   4.499
  360   2HH2  ARG  53          2HH1      ARG  53   0.797  11.655   5.188
  361    H    LYS  54           HN       LYS  54  -5.416  11.245   0.344
  362    HA   LYS  54           HA       LYS  54  -4.300   8.762  -0.339
  363   1HB   LYS  54          2HB       LYS  54  -6.936   9.572   0.864
  364   2HB   LYS  54          1HB       LYS  54  -6.321   7.929   0.945
  365   1HG   LYS  54          1HG       LYS  54  -4.747  10.292   2.088
  366   2HG   LYS  54          2HG       LYS  54  -6.040   9.514   2.993
  367   1HD   LYS  54          1HD       LYS  54  -4.891   7.321   2.793
  368   2HD   LYS  54          2HD       LYS  54  -3.589   8.092   1.866
  369   1HE   LYS  54          1HE       LYS  54  -2.875   7.779   4.126
  370   2HE   LYS  54          2HE       LYS  54  -3.091   9.522   3.887
  371   1HZ   LYS  54          3HZ       LYS  54  -5.000   7.685   5.177
  372   2HZ   LYS  54          1HZ       LYS  54  -4.004   8.738   5.958
  373   3HZ   LYS  54          2HZ       LYS  54  -5.214   9.311   4.998
  374    H    ALA  55           H        ALA  55  -6.990  10.535  -1.849
  375    HA   ALA  55           HA       ALA  55  -8.577   8.535  -2.844
  376   1HB   ALA  55          1HB       ALA  55  -9.027  10.913  -3.163
  377   2HB   ALA  55          2HB       ALA  55  -7.681  11.048  -4.314
  378   3HB   ALA  55          3HB       ALA  55  -9.106  10.065  -4.720
  379    H    MET  56           H        MET  56  -5.608   9.683  -4.562
  380    HA   MET  56           HA       MET  56  -5.803   7.916  -6.776
  381   1HB   MET  56          2HB       MET  56  -3.473   9.286  -5.370
  382   2HB   MET  56          1HB       MET  56  -3.260   8.272  -6.799
  383   1HG   MET  56          1HG       MET  56  -3.334  10.568  -7.463
  384   2HG   MET  56          2HG       MET  56  -4.729   9.723  -8.119
  385   1HE   MET  56          3HE       MET  56  -7.202   9.993  -7.049
  386   2HE   MET  56          1HE       MET  56  -7.671  11.706  -6.963
  387   3HE   MET  56          2HE       MET  56  -6.817  11.093  -8.396
  388    H    MET  57           H        MET  57  -4.097   7.626  -3.698
  389    HA   MET  57           HA       MET  57  -2.928   5.097  -3.922
  390   1HB   MET  57          1HB       MET  57  -3.501   7.066  -1.847
  391   2HB   MET  57          2HB       MET  57  -3.952   5.486  -1.236
  392   1HG   MET  57          2HG       MET  57  -1.297   6.354  -2.350
  393   2HG   MET  57          1HG       MET  57  -1.679   6.046  -0.651
  394   1HE   MET  57          3HE       MET  57  -3.463   3.311  -1.091
  395   2HE   MET  57          2HE       MET  57  -2.339   1.965  -1.310
  396   3HE   MET  57          1HE       MET  57  -2.166   3.021   0.101
  397    H    THR  58           H        THR  58  -6.103   6.031  -2.684
  398    HA   THR  58           HA       THR  58  -7.127   3.549  -1.902
  399    HB   THR  58           HB       THR  58  -8.718   5.898  -3.036
  400    HG1  THR  58           HG1      THR  58  -7.299   6.460  -1.291
  401   1HG2  THR  58          2HG2      THR  58  -9.470   3.684  -1.111
  402   2HG2  THR  58          1HG2      THR  58 -10.482   5.079  -1.529
  403   3HG2  THR  58          3HG2      THR  58 -10.079   3.881  -2.771
  404    H    ASN  59           H        ASN  59  -7.578   5.279  -5.062
  405    HA   ASN  59           HA       ASN  59  -8.953   3.120  -6.310
  406   1HB   ASN  59          2HB       ASN  59  -8.868   5.419  -7.194
  407   2HB   ASN  59          1HB       ASN  59  -7.162   5.208  -7.596
  408   1HD2  ASN  59          1HD2      ASN  59  -8.827   2.587 -10.068
  409   2HD2  ASN  59          2HD2      ASN  59  -8.418   2.109  -8.434
  410    H    ALA  60           H        ALA  60  -5.420   3.870  -6.120
  411    HA   ALA  60           HA       ALA  60  -4.562   1.919  -7.972
  412   1HB   ALA  60          2HB       ALA  60  -3.120   3.710  -7.047
  413   2HB   ALA  60          3HB       ALA  60  -3.076   2.870  -5.483
  414   3HB   ALA  60          1HB       ALA  60  -2.379   2.105  -6.920
  415    H    VAL  61           H        VAL  61  -4.904   1.636  -4.395
  416    HA   VAL  61           HA       VAL  61  -4.315  -1.203  -4.509
  417    HB   VAL  61           HB       VAL  61  -3.686   0.207  -2.641
  418   1HG1  VAL  61          1HG1      VAL  61  -5.790   1.586  -2.475
  419   2HG1  VAL  61          2HG1      VAL  61  -6.612   0.182  -1.788
  420   3HG1  VAL  61          3HG1      VAL  61  -5.206   0.907  -0.960
  421   1HG2  VAL  61          2HG2      VAL  61  -3.931  -2.279  -2.399
  422   2HG2  VAL  61          3HG2      VAL  61  -4.161  -1.363  -0.897
  423   3HG2  VAL  61          1HG2      VAL  61  -5.568  -2.012  -1.758
  424    H    LYS  62           HN       LYS  62  -7.354   0.653  -4.635
  425    HA   LYS  62           HA       LYS  62  -9.225  -1.238  -3.928
  426   1HB   LYS  62          2HB       LYS  62  -9.566   1.181  -4.869
  427   2HB   LYS  62          1HB       LYS  62  -9.499   0.433  -6.450
  428   1HG   LYS  62          1HG       LYS  62 -11.772   0.660  -5.957
  429   2HG   LYS  62          2HG       LYS  62 -11.444  -1.053  -5.713
  430   1HD   LYS  62          2HD       LYS  62 -12.918  -0.108  -3.985
  431   2HD   LYS  62          1HD       LYS  62 -11.436  -0.727  -3.259
  432   1HE   LYS  62          1HE       LYS  62 -10.569   1.471  -2.886
  433   2HE   LYS  62          2HE       LYS  62 -11.726   2.215  -4.017
  434   1HZ   LYS  62          3HZ       LYS  62 -12.432   0.957  -1.469
  435   2HZ   LYS  62          1HZ       LYS  62 -12.274   2.578  -1.718
  436   3HZ   LYS  62          2HZ       LYS  62 -13.461   1.733  -2.493
  437    H    LYS  63           HN       LYS  63  -7.351  -1.085  -6.945
  438    HA   LYS  63           HA       LYS  63  -8.842  -3.024  -8.365
  439   1HB   LYS  63          2HB       LYS  63  -6.251  -1.612  -8.713
  440   2HB   LYS  63          1HB       LYS  63  -6.377  -3.170  -9.525
  441   1HG   LYS  63          2HG       LYS  63  -7.092  -1.341 -10.984
  442   2HG   LYS  63          1HG       LYS  63  -8.360  -2.543 -10.709
  443   1HD   LYS  63          2HD       LYS  63  -9.460  -1.027  -9.070
  444   2HD   LYS  63          1HD       LYS  63  -8.157   0.152  -9.298
  445   1HE   LYS  63          1HE       LYS  63  -8.836   0.550 -11.591
  446   2HE   LYS  63          2HE       LYS  63  -9.881  -0.881 -11.600
  447   1HZ   LYS  63          2HZ       LYS  63 -10.373   1.485  -9.940
  448   2HZ   LYS  63          3HZ       LYS  63 -11.121   1.137 -11.367
  449   3HZ   LYS  63          1HZ       LYS  63 -11.322   0.150 -10.066
  450    H    ALA  64           H        ALA  64  -6.672  -3.503  -5.701
  451    HA   ALA  64           HA       ALA  64  -5.845  -6.246  -6.485
  452   1HB   ALA  64          2HB       ALA  64  -4.203  -4.658  -5.575
  453   2HB   ALA  64          3HB       ALA  64  -5.178  -4.457  -4.121
  454   3HB   ALA  64          1HB       ALA  64  -4.441  -6.028  -4.468
  455    H    SER  65           H        SER  65  -6.715  -8.036  -5.577
  456    HA   SER  65           HA       SER  65  -9.173  -7.744  -3.940
  457   1HB   SER  65          2HB       SER  65  -9.205  -9.241  -5.896
  458   2HB   SER  65          1HB       SER  65  -7.912 -10.227  -5.173
  459    HG   SER  65           HG       SER  65 -10.110 -10.979  -4.768
  460    H    ASP  66           HN       ASP  66  -9.391  -9.415  -2.113
  461    HA   ASP  66           HA       ASP  66  -7.734  -8.688  -0.009
  462   1HB   ASP  66          1HB       ASP  66  -9.942  -9.743   0.264
  463   2HB   ASP  66          2HB       ASP  66  -9.278 -11.296  -0.277
  464    H    GLU  67           HN       GLU  67  -7.340 -11.537  -2.085
  465    HA   GLU  67           HA       GLU  67  -5.138 -12.827  -0.871
  466   1HB   GLU  67          2HB       GLU  67  -6.029 -12.393  -3.766
  467   2HB   GLU  67          1HB       GLU  67  -4.644 -13.383  -3.384
  468   1HG   GLU  67          2HG       GLU  67  -7.530 -13.816  -2.423
  469   2HG   GLU  67          1HG       GLU  67  -6.689 -14.753  -3.663
  470    H    GLU  68           HN       GLU  68  -5.156 -10.259  -3.291
  471    HA   GLU  68           HA       GLU  68  -2.354 -10.011  -3.589
  472   1HB   GLU  68          2HB       GLU  68  -4.782  -8.273  -4.244
  473   2HB   GLU  68          1HB       GLU  68  -3.221  -8.073  -4.878
  474   1HG   GLU  68          2HG       GLU  68  -4.893 -10.641  -5.276
  475   2HG   GLU  68          1HG       GLU  68  -4.928  -9.232  -6.364
  476    H    LEU  69           H        LEU  69  -4.890  -8.225  -1.847
  477    HA   LEU  69           HA       LEU  69  -3.286  -6.247  -0.629
  478   1HB   LEU  69          1HB       LEU  69  -5.611  -7.672   0.730
  479   2HB   LEU  69          2HB       LEU  69  -4.903  -6.134   1.185
  480    HG   LEU  69           HG       LEU  69  -6.570  -6.754  -1.266
  481   1HD1  LEU  69          3HD2      LEU  69  -7.747  -6.325   0.864
  482   2HD1  LEU  69          2HD2      LEU  69  -6.945  -4.746   0.974
  483   3HD1  LEU  69          1HD2      LEU  69  -8.065  -5.084  -0.360
  484   1HD2  LEU  69          2HD1      LEU  69  -5.046  -4.185  -0.730
  485   2HD2  LEU  69          1HD1      LEU  69  -4.785  -5.315  -2.064
  486   3HD2  LEU  69          3HD1      LEU  69  -6.305  -4.413  -1.954
  487    H    LYS  70           HN       LYS  70  -4.014  -9.561   0.667
  488    HA   LYS  70           HA       LYS  70  -2.381  -9.244   2.977
  489   1HB   LYS  70          1HB       LYS  70  -3.210 -11.698   1.374
  490   2HB   LYS  70          2HB       LYS  70  -2.266 -11.799   2.871
  491   1HG   LYS  70          1HG       LYS  70  -4.034 -10.569   4.078
  492   2HG   LYS  70          2HG       LYS  70  -5.056 -10.605   2.631
  493   1HD   LYS  70          1HD       LYS  70  -4.009 -12.979   4.247
  494   2HD   LYS  70          2HD       LYS  70  -5.674 -12.391   4.214
  495   1HE   LYS  70          1HE       LYS  70  -4.167 -13.644   1.862
  496   2HE   LYS  70          2HE       LYS  70  -5.426 -14.407   2.838
  497   1HZ   LYS  70          2HZ       LYS  70  -6.961 -12.741   2.071
  498   2HZ   LYS  70          3HZ       LYS  70  -5.784 -12.045   1.148
  499   3HZ   LYS  70          1HZ       LYS  70  -6.299 -13.581   0.816
  500    H    ALA  71           H        ALA  71  -1.655 -10.603  -0.264
  501    HA   ALA  71           HA       ALA  71   1.045 -11.201   0.383
  502   1HB   ALA  71          3HB       ALA  71  -0.234 -12.167  -1.522
  503   2HB   ALA  71          1HB       ALA  71  -0.208 -10.585  -2.330
  504   3HB   ALA  71          2HB       ALA  71   1.315 -11.475  -2.043
  505    H    LEU  72           H        LEU  72  -0.403  -8.103  -0.776
  506    HA   LEU  72           HA       LEU  72   2.064  -6.835  -1.424
  507   1HB   LEU  72          1HB       LEU  72  -0.805  -6.089  -0.771
  508   2HB   LEU  72          2HB       LEU  72   0.415  -4.858  -0.707
  509    HG   LEU  72           HG       LEU  72   0.091  -6.585  -3.176
  510   1HD1  LEU  72          2HD2      LEU  72  -1.429  -4.072  -2.425
  511   2HD1  LEU  72          3HD2      LEU  72  -1.299  -4.692  -4.086
  512   3HD1  LEU  72          1HD2      LEU  72  -2.087  -5.662  -2.832
  513   1HD2  LEU  72          1HD1      LEU  72   1.272  -3.816  -2.659
  514   2HD2  LEU  72          2HD1      LEU  72   2.175  -5.285  -3.059
  515   3HD2  LEU  72          3HD1      LEU  72   1.109  -4.535  -4.252
  516    H    ALA  73           H        ALA  73  -0.081  -6.852   1.482
  517    HA   ALA  73           HA       ALA  73   1.577  -5.386   3.177
  518   1HB   ALA  73          2HB       ALA  73  -0.723  -6.028   3.721
  519   2HB   ALA  73          1HB       ALA  73  -0.261  -7.733   3.872
  520   3HB   ALA  73          3HB       ALA  73   0.380  -6.547   5.013
  521    H    ASP  74           HN       ASP  74   1.565  -8.977   2.734
  522    HA   ASP  74           HA       ASP  74   3.690  -9.568   4.452
  523   1HB   ASP  74          1HB       ASP  74   2.321 -11.296   3.399
  524   2HB   ASP  74          2HB       ASP  74   2.965 -10.880   1.802
  525    H    TYR  75           H        TYR  75   3.890  -8.815   0.924
  526    HA   TYR  75           HA       TYR  75   6.657  -8.984   0.641
  527   1HB   TYR  75          1HB       TYR  75   4.844  -8.687  -1.126
  528   2HB   TYR  75          2HB       TYR  75   4.887  -6.964  -0.803
  529    HD1  TYR  75           HD1      TYR  75   7.143  -5.719  -1.137
  530    HD2  TYR  75           HD2      TYR  75   6.417  -9.727  -2.563
  531    HE1  TYR  75           HE1      TYR  75   9.167  -5.589  -2.550
  532    HE2  TYR  75           HE2      TYR  75   8.406  -9.552  -4.037
  533    HH   TYR  75           HH       TYR  75  10.495  -6.661  -4.096
  534    H    MET  76           H        MET  76   4.735  -6.021   1.302
  535    HA   MET  76           HA       MET  76   7.063  -4.335   1.709
  536   1HB   MET  76          1HB       MET  76   4.094  -4.078   2.187
  537   2HB   MET  76          2HB       MET  76   5.216  -2.863   2.830
  538   1HG   MET  76          1HG       MET  76   6.080  -2.376   0.643
  539   2HG   MET  76          2HG       MET  76   5.247  -3.749  -0.079
  540   1HE   MET  76          1HE       MET  76   3.057  -3.908  -0.841
  541   2HE   MET  76          2HE       MET  76   2.166  -3.600   0.675
  542   3HE   MET  76          3HE       MET  76   1.809  -2.647  -0.794
  543    H    SER  77           H        SER  77   5.465  -6.593   3.818
  544    HA   SER  77           HA       SER  77   6.881  -5.573   6.192
  545   1HB   SER  77          1HB       SER  77   4.580  -6.561   6.233
  546   2HB   SER  77          2HB       SER  77   5.307  -8.133   5.850
  547    HG   SER  77           HG       SER  77   6.693  -7.732   7.722
  548    H    LYS  78           HN       LYS  78   8.118  -6.987   3.512
  549    HA   LYS  78           HA       LYS  78  10.085  -8.603   5.027
  550   1HB   LYS  78          2HB       LYS  78   8.296  -9.884   3.535
  551   2HB   LYS  78          1HB       LYS  78   9.167  -9.174   2.185
  552   1HG   LYS  78          1HG       LYS  78  10.345 -11.094   2.287
  553   2HG   LYS  78          2HG       LYS  78  11.292 -10.246   3.502
  554   1HD   LYS  78          1HD       LYS  78   8.939 -12.159   3.966
  555   2HD   LYS  78          2HD       LYS  78  10.642 -12.559   4.199
  556   1HE   LYS  78          1HE       LYS  78   9.060 -10.507   5.826
  557   2HE   LYS  78          2HE       LYS  78   9.479 -12.141   6.336
  558   1HZ   LYS  78          2HZ       LYS  78  11.781 -11.574   6.198
  559   2HZ   LYS  78          3HZ       LYS  78  11.428 -10.043   5.706
  560   3HZ   LYS  78          1HZ       LYS  78  10.993 -10.541   7.213
  561    H    LEU  79           H        LEU  79  10.020  -5.809   4.636
  562    HA   LEU  79           HA       LEU  79  12.260  -5.191   2.965
  563   1HB   LEU  79          1HB       LEU  79   9.314  -4.579   2.584
  564   2HB   LEU  79          2HB       LEU  79  10.328  -3.200   2.576
  565    HG   LEU  79           HG       LEU  79  10.520  -5.612   0.696
  566   1HD1  LEU  79          3HD2      LEU  79   9.693  -2.710   0.253
  567   2HD1  LEU  79          2HD2      LEU  79   9.921  -3.901  -1.041
  568   3HD1  LEU  79          1HD2      LEU  79   8.651  -4.144   0.161
  569   1HD2  LEU  79          1HD1      LEU  79  12.305  -3.179   0.975
  570   2HD2  LEU  79          3HD1      LEU  79  12.781  -4.889   0.893
  571   3HD2  LEU  79          2HD1      LEU  79  12.180  -4.084  -0.554
  572    HHA  HEC   1           HHA      HEM   1   1.689   4.886   2.705
  573    HHB  HEC   1           HHB      HEM   1  -0.314  -0.434  -0.237
  574    HHC  HEC   1           HHC      HEM   1   1.071   2.455  -5.845
  575    HHD  HEC   1           HHD      HEM   1   1.413   8.027  -2.758
  576   1HMA  HEC   1          1HMA      HEM   1   0.542  -0.862   2.269
  577   2HMA  HEC   1          2HMA      HEM   1  -0.229   0.063   3.579
  578   3HMA  HEC   1          3HMA      HEM   1  -1.146  -0.267   2.112
  579   1HAA  HEC   1          1HAA      HEM   1   1.928   3.158   4.059
  580   2HAA  HEC   1          2HAA      HEM   1   1.260   1.596   4.455
  581   1HBA  HEC   1          1HBA      HEM   1  -0.710   3.795   3.903
  582   2HBA  HEC   1          2HBA      HEM   1  -0.845   2.388   4.945
  583   1HMB  HEC   1          1HMB      HEM   1  -0.250  -2.240  -3.551
  584   2HMB  HEC   1          2HMB      HEM   1  -1.655  -1.560  -2.701
  585   3HMB  HEC   1          3HMB      HEM   1  -0.174  -1.983  -1.821
  586    HAB  HEC   1           HAB      HEM   1   0.579   0.496  -6.312
  587   1HBB  HEC   1          1HBB      HEM   1  -0.858  -1.227  -7.039
  588   2HBB  HEC   1          2HBB      HEM   1  -1.779  -0.127  -5.995
  589   3HBB  HEC   1          3HBB      HEM   1  -1.266  -1.711  -5.392
  590   1HMC  HEC   1          1HMC      HEM   1   0.777   4.259  -7.352
  591   2HMC  HEC   1          2HMC      HEM   1   2.550   4.166  -7.191
  592   3HMC  HEC   1          3HMC      HEM   1   1.763   5.701  -7.589
  593    HAC  HEC   1           HAC      HEM   1   2.530   8.232  -4.656
  594   1HBC  HEC   1          1HBC      HEM   1   0.852   7.758  -7.128
  595   2HBC  HEC   1          2HBC      HEM   1   0.249   8.432  -5.603
  596   3HBC  HEC   1          3HBC      HEM   1   1.494   9.300  -6.534
  597   1HMD  HEC   1          1HMD      HEM   1  -0.250   9.186  -1.116
  598   2HMD  HEC   1          2HMD      HEM   1   1.432   9.637  -0.751
  599   3HMD  HEC   1          3HMD      HEM   1   0.206   9.644   0.526
  600   1HAD  HEC   1          1HAD      HEM   1  -0.891   7.539   2.289
  601   2HAD  HEC   1          2HAD      HEM   1   0.480   8.581   2.495
  602   1HBD  HEC   1          1HBD      HEM   1   0.074   5.840   3.735
  603   2HBD  HEC   1          2HBD      HEM   1   1.579   6.736   3.927
   
  No H/Q in entry =         603
  Start of MODEL   18
    1   1H    ALA   1          2H        ALA   1   5.205 -11.768  -9.111
    2   2H    ALA   1          3H        ALA   1   5.520 -13.204  -9.899
    3   3H    ALA   1          1H        ALA   1   4.096 -12.382 -10.135
    4    HA   ALA   1           HA       ALA   1   3.572 -14.139  -8.704
    5   1HB   ALA   1          2HB       ALA   1   5.880 -14.588  -7.911
    6   2HB   ALA   1          3HB       ALA   1   5.849 -13.081  -6.965
    7   3HB   ALA   1          1HB       ALA   1   4.755 -14.415  -6.553
    8    H    ASP   2           HN       ASP   2   2.442 -13.809  -6.470
    9    HA   ASP   2           HA       ASP   2   0.867 -11.441  -6.535
   10   1HB   ASP   2          1HB       ASP   2   0.049 -12.278  -4.333
   11   2HB   ASP   2          2HB       ASP   2   0.038 -13.523  -5.584
   12    H    GLY   3           H        GLY   3   0.830  -9.677  -4.994
   13   1HA   GLY   3          1HA       GLY   3   1.748  -8.133  -3.500
   14   2HA   GLY   3          2HA       GLY   3   3.089  -9.227  -3.195
   15    H    ALA   4           H        ALA   4   4.430  -9.676  -5.178
   16    HA   ALA   4           HA       ALA   4   5.875  -7.317  -5.841
   17   1HB   ALA   4          2HB       ALA   4   6.895  -9.558  -5.693
   18   2HB   ALA   4          3HB       ALA   4   6.001 -10.074  -7.138
   19   3HB   ALA   4          1HB       ALA   4   7.235  -8.799  -7.261
   20    H    ALA   5           H        ALA   5   3.728  -9.328  -7.939
   21    HA   ALA   5           HA       ALA   5   4.135  -7.781 -10.292
   22   1HB   ALA   5          3HB       ALA   5   1.734  -9.446  -9.425
   23   2HB   ALA   5          1HB       ALA   5   2.010  -8.813 -11.062
   24   3HB   ALA   5          2HB       ALA   5   3.134  -9.997 -10.371
   25    H    LEU   6           H        LEU   6   1.661  -7.446  -7.652
   26    HA   LEU   6           HA       LEU   6   0.160  -5.390  -8.830
   27   1HB   LEU   6          2HB       LEU   6   0.628  -6.581  -6.063
   28   2HB   LEU   6          1HB       LEU   6  -0.388  -5.197  -6.357
   29    HG   LEU   6           HG       LEU   6  -1.734  -6.528  -8.001
   30   1HD1  LEU   6          1HD2      LEU   6   0.011  -8.833  -7.034
   31   2HD1  LEU   6          3HD2      LEU   6  -1.567  -9.048  -7.815
   32   3HD1  LEU   6          2HD2      LEU   6  -0.259  -8.293  -8.713
   33   1HD2  LEU   6          2HD1      LEU   6  -2.466  -6.259  -5.677
   34   2HD2  LEU   6          3HD1      LEU   6  -2.902  -7.855  -6.307
   35   3HD2  LEU   6          1HD1      LEU   6  -1.520  -7.689  -5.193
   36    H    TYR   7           H        TYR   7   2.896  -5.464  -6.529
   37    HA   TYR   7           HA       TYR   7   3.097  -2.821  -5.854
   38   1HB   TYR   7          1HB       TYR   7   4.390  -4.663  -4.878
   39   2HB   TYR   7          2HB       TYR   7   5.398  -4.730  -6.322
   40    HD1  TYR   7           HD2      TYR   7   4.340  -2.516  -3.501
   41    HD2  TYR   7           HD1      TYR   7   7.271  -3.276  -6.558
   42    HE1  TYR   7           HE2      TYR   7   5.756  -0.683  -2.597
   43    HE2  TYR   7           HE1      TYR   7   8.697  -1.464  -5.641
   44    HH   TYR   7           HH       TYR   7   7.918   0.289  -2.722
   45    H    LYS   8           HN       LYS   8   3.756  -4.049  -9.163
   46    HA   LYS   8           HA       LYS   8   5.552  -2.127 -10.045
   47   1HB   LYS   8          1HB       LYS   8   3.181  -3.588 -11.294
   48   2HB   LYS   8          2HB       LYS   8   4.393  -2.701 -12.174
   49   1HG   LYS   8          1HG       LYS   8   5.038  -5.112 -10.425
   50   2HG   LYS   8          2HG       LYS   8   4.763  -5.164 -12.166
   51   1HD   LYS   8          1HD       LYS   8   6.699  -3.609 -12.498
   52   2HD   LYS   8          2HD       LYS   8   7.000  -3.643 -10.746
   53   1HE   LYS   8          2HE       LYS   8   7.298  -6.103 -10.831
   54   2HE   LYS   8          1HE       LYS   8   7.043  -6.072 -12.588
   55   1HZ   LYS   8          1HZ       LYS   8   9.203  -4.703 -11.144
   56   2HZ   LYS   8          2HZ       LYS   8   9.351  -6.087 -12.026
   57   3HZ   LYS   8          3HZ       LYS   8   8.968  -4.670 -12.776
   58    H    SER   9           H        SER   9   1.995  -1.995  -9.504
   59    HA   SER   9           HA       SER   9   1.860   0.785 -10.520
   60   1HB   SER   9          2HB       SER   9  -0.260  -0.986  -9.243
   61   2HB   SER   9          1HB       SER   9  -0.524   0.530 -10.130
   62    HG   SER   9           HG       SER   9  -0.830  -1.371 -11.439
   63    H    CYS  10           H        CYS  10   3.550   0.223  -8.221
   64    HA   CYS  10           HA       CYS  10   2.362   1.957  -6.126
   65   1HB   CYS  10          1HB       CYS  10   2.462  -0.730  -6.049
   66   2HB   CYS  10          2HB       CYS  10   4.074  -0.370  -5.373
   67    H    ILE  11           H        ILE  11   5.195   0.558  -7.661
   68    HA   ILE  11           HA       ILE  11   7.341   1.859  -6.524
   69    HB   ILE  11           HB       ILE  11   6.516   1.167  -9.374
   70   1HG1  ILE  11          2HG1      ILE  11   8.644   0.002  -7.518
   71   2HG1  ILE  11          1HG1      ILE  11   7.014  -0.646  -7.748
   72   1HG2  ILE  11          2HG2      ILE  11   8.090   3.014  -9.739
   73   2HG2  ILE  11          3HG2      ILE  11   9.322   2.163  -8.777
   74   3HG2  ILE  11          1HG2      ILE  11   8.727   1.490 -10.297
   75   1HD1  ILE  11          2HD1      ILE  11   7.592  -0.952 -10.212
   76   2HD1  ILE  11          3HD1      ILE  11   9.281  -0.619  -9.761
   77   3HD1  ILE  11          1HD1      ILE  11   8.438  -2.004  -9.056
   78    H    GLY  12           H        GLY  12   8.543   3.745  -7.126
   79   1HA   GLY  12          2HA       GLY  12   8.725   5.987  -7.771
   80   2HA   GLY  12          1HA       GLY  12   7.091   5.962  -8.446
   81    H    CYS  13           H        CYS  13   5.410   5.250  -6.283
   82    HA   CYS  13           HA       CYS  13   5.730   7.689  -4.624
   83   1HB   CYS  13          2HB       CYS  13   3.641   5.505  -4.646
   84   2HB   CYS  13          1HB       CYS  13   3.731   6.797  -3.457
   85    H    HIS  14           HN       HIS  14   5.770   4.129  -4.304
   86    HA   HIS  14           HA       HIS  14   7.093   4.331  -1.654
   87   1HB   HIS  14          2HB       HIS  14   5.981   2.036  -3.277
   88   2HB   HIS  14          1HB       HIS  14   6.711   1.871  -1.668
   89    HD1  HIS  14           HD1      HIS  14   5.593   3.412   0.287
   90    HD2  HIS  14           HD2      HIS  14   3.389   3.172  -3.237
   91    HE1  HIS  14           HE1      HIS  14   3.278   4.248   0.796
   92    H    GLY  15           H        GLY  15   8.111   4.571  -4.760
   93   1HA   GLY  15          2HA       GLY  15  10.310   4.866  -5.466
   94   2HA   GLY  15          1HA       GLY  15  10.890   4.220  -3.907
   95    H    ALA  16           H        ALA  16  11.653   2.209  -3.915
   96    HA   ALA  16           HA       ALA  16  10.529   0.136  -5.707
   97   1HB   ALA  16          3HB       ALA  16  12.606   0.951  -6.812
   98   2HB   ALA  16          2HB       ALA  16  13.513   0.659  -5.309
   99   3HB   ALA  16          1HB       ALA  16  12.796  -0.702  -6.198
  100    H    ASP  17           HN       ASP  17  10.206   1.063  -2.874
  101    HA   ASP  17           HA       ASP  17  10.573  -1.432  -1.522
  102   1HB   ASP  17          1HB       ASP  17  12.018  -0.457   0.316
  103   2HB   ASP  17          2HB       ASP  17  12.827  -0.810  -1.204
  104    H    GLY  18           H        GLY  18  10.707   1.471   0.326
  105   1HA   GLY  18          1HA       GLY  18   8.055   2.399   0.238
  106   2HA   GLY  18          2HA       GLY  18   8.124   1.114   1.463
  107    H    SER  19           H        SER  19  11.072   2.998   1.000
  108    HA   SER  19           HA       SER  19  10.846   4.062   3.702
  109   1HB   SER  19          2HB       SER  19  13.001   4.583   1.616
  110   2HB   SER  19          1HB       SER  19  13.100   4.777   3.375
  111    HG   SER  19           HG       SER  19  12.893   2.377   1.868
  112    H    LYS  20           HN       LYS  20  10.172   5.124   0.459
  113    HA   LYS  20           HA       LYS  20  10.574   7.910   0.617
  114   1HB   LYS  20          1HB       LYS  20   8.384   6.323  -0.778
  115   2HB   LYS  20          2HB       LYS  20   8.813   7.993  -1.158
  116   1HG   LYS  20          1HG       LYS  20  10.548   5.528  -1.635
  117   2HG   LYS  20          2HG       LYS  20   9.613   6.473  -2.811
  118   1HD   LYS  20          1HD       LYS  20  10.995   8.490  -2.268
  119   2HD   LYS  20          2HD       LYS  20  11.997   7.491  -1.190
  120   1HE   LYS  20          1HE       LYS  20  12.605   6.030  -3.104
  121   2HE   LYS  20          2HE       LYS  20  11.593   7.017  -4.182
  122   1HZ   LYS  20          3HZ       LYS  20  13.003   8.877  -3.700
  123   2HZ   LYS  20          1HZ       LYS  20  13.944   7.964  -2.701
  124   3HZ   LYS  20          2HZ       LYS  20  13.882   7.626  -4.313
  125    H    ALA  21           H        ALA  21   9.297   9.598   1.312
  126    HA   ALA  21           HA       ALA  21   7.022   8.985   3.094
  127   1HB   ALA  21          3HB       ALA  21   8.816  10.560   3.779
  128   2HB   ALA  21          1HB       ALA  21   8.363  11.634   2.432
  129   3HB   ALA  21          2HB       ALA  21   7.210  11.299   3.743
  130    H    ALA  22           H        ALA  22   6.960   8.635   0.126
  131    HA   ALA  22           HA       ALA  22   6.002   9.395  -1.814
  132   1HB   ALA  22          2HB       ALA  22   4.914   7.436  -0.826
  133   2HB   ALA  22          3HB       ALA  22   3.716   8.480  -0.042
  134   3HB   ALA  22          1HB       ALA  22   3.808   8.380  -1.822
  135    H    MET  23           H        MET  23   2.936  10.171  -1.451
  136    HA   MET  23           HA       MET  23   3.432  12.918  -2.174
  137   1HB   MET  23          1HB       MET  23   0.889  11.293  -1.854
  138   2HB   MET  23          2HB       MET  23   0.927  12.973  -2.415
  139   1HG   MET  23          1HG       MET  23   2.423  10.716  -3.781
  140   2HG   MET  23          2HG       MET  23   0.835  11.337  -4.260
  141   1HE   MET  23          3HE       MET  23   3.425  10.964  -6.113
  142   2HE   MET  23          1HE       MET  23   1.858  11.536  -6.745
  143   3HE   MET  23          2HE       MET  23   3.344  12.447  -7.093
  144    H    GLY  24           H        GLY  24   4.525  13.252   0.035
  145   1HA   GLY  24          2HA       GLY  24   4.341  15.176   1.410
  146   2HA   GLY  24          1HA       GLY  24   2.596  15.028   1.451
  147    H    SER  25           H        SER  25   5.627  13.806   2.791
  148    HA   SER  25           HA       SER  25   6.167  12.931   4.812
  149   1HB   SER  25          1HB       SER  25   3.742  14.463   5.790
  150   2HB   SER  25          2HB       SER  25   5.141  13.894   6.717
  151    HG   SER  25           HG       SER  25   5.202  15.747   4.551
  152    H    ALA  26           H        ALA  26   4.769  11.081   3.323
  153    HA   ALA  26           HA       ALA  26   2.666   9.775   4.813
  154   1HB   ALA  26          3HB       ALA  26   3.083   9.350   2.391
  155   2HB   ALA  26          1HB       ALA  26   4.652   8.618   2.798
  156   3HB   ALA  26          2HB       ALA  26   3.179   7.841   3.337
  157    H    LYS  27           HN       LYS  27   2.813   8.049   6.395
  158    HA   LYS  27           HA       LYS  27   5.115   7.778   8.002
  159   1HB   LYS  27          2HB       LYS  27   2.422   6.531   7.548
  160   2HB   LYS  27          1HB       LYS  27   3.643   5.506   8.228
  161   1HG   LYS  27          1HG       LYS  27   3.965   7.034  10.107
  162   2HG   LYS  27          2HG       LYS  27   2.914   8.231   9.326
  163   1HD   LYS  27          1HD       LYS  27   1.633   7.211  11.036
  164   2HD   LYS  27          2HD       LYS  27   0.979   6.633   9.504
  165   1HE   LYS  27          1HE       LYS  27   2.998   5.003  11.135
  166   2HE   LYS  27          2HE       LYS  27   1.263   4.972  11.476
  167   1HZ   LYS  27          3HZ       LYS  27   0.876   4.251   9.226
  168   2HZ   LYS  27          1HZ       LYS  27   2.487   4.165   8.947
  169   3HZ   LYS  27          2HZ       LYS  27   1.804   3.187  10.076
  170    HA   PRO  28           HA       PRO  28   7.275   5.435   4.819
  171   1HB   PRO  28          1HB       PRO  28   8.820   4.413   7.243
  172   2HB   PRO  28          2HB       PRO  28   9.471   4.872   5.640
  173   1HG   PRO  28          2HG       PRO  28   9.623   6.638   7.701
  174   2HG   PRO  28          1HG       PRO  28   9.073   7.209   6.097
  175   1HD   PRO  28          2HD       PRO  28   7.366   6.506   8.502
  176   2HD   PRO  28          1HD       PRO  28   7.256   7.906   7.390
  177    H    VAL  29           H        VAL  29   7.053   3.453   3.971
  178    HA   VAL  29           HA       VAL  29   5.096   1.673   5.263
  179    HB   VAL  29           HB       VAL  29   6.234   1.825   2.467
  180   1HG1  VAL  29          1HG2      VAL  29   5.144  -0.365   2.949
  181   2HG1  VAL  29          3HG2      VAL  29   3.678   0.503   3.481
  182   3HG1  VAL  29          2HG2      VAL  29   4.223   0.608   1.794
  183   1HG2  VAL  29          1HG1      VAL  29   4.047   3.299   3.920
  184   2HG2  VAL  29          3HG1      VAL  29   5.092   3.855   2.601
  185   3HG2  VAL  29          2HG1      VAL  29   3.708   2.772   2.280
  186    H    LYS  30           HN       LYS  30   8.376   1.728   4.066
  187    HA   LYS  30           HA       LYS  30   9.195  -0.854   3.720
  188   1HB   LYS  30          1HB       LYS  30  10.527   1.136   3.455
  189   2HB   LYS  30          2HB       LYS  30  10.534   1.440   5.183
  190   1HG   LYS  30          1HG       LYS  30  11.772  -0.969   3.751
  191   2HG   LYS  30          2HG       LYS  30  12.641   0.526   4.094
  192   1HD   LYS  30          2HD       LYS  30  12.206   0.147   6.564
  193   2HD   LYS  30          1HD       LYS  30  11.612  -1.475   6.147
  194   1HE   LYS  30          2HE       LYS  30  14.382  -0.471   5.400
  195   2HE   LYS  30          1HE       LYS  30  14.005  -1.449   6.829
  196   1HZ   LYS  30          2HZ       LYS  30  13.475  -2.285   4.056
  197   2HZ   LYS  30          3HZ       LYS  30  14.724  -2.806   5.003
  198   3HZ   LYS  30          1HZ       LYS  30  13.158  -3.147   5.400
  199    H    GLY  31           H        GLY  31   8.393  -2.531   4.890
  200   1HA   GLY  31          1HA       GLY  31   7.886  -3.895   6.602
  201   2HA   GLY  31          2HA       GLY  31   9.428  -3.350   7.213
  202    H    GLN  32           H        GLN  32   6.332  -1.500   7.037
  203    HA   GLN  32           HA       GLN  32   6.408  -0.658   9.751
  204   1HB   GLN  32          1HB       GLN  32   3.688  -1.295   8.572
  205   2HB   GLN  32          2HB       GLN  32   4.157  -0.038   9.707
  206   1HG   GLN  32          2HG       GLN  32   5.494   0.954   7.778
  207   2HG   GLN  32          1HG       GLN  32   4.625  -0.192   6.743
  208   1HE2  GLN  32          1HE2      GLN  32   2.782   3.218   7.000
  209   2HE2  GLN  32          2HE2      GLN  32   4.505   2.958   7.213
  210    H    GLY  33           H        GLY  33   4.617  -3.150   8.389
  211   1HA   GLY  33          1HA       GLY  33   5.357  -5.510   9.467
  212   2HA   GLY  33          2HA       GLY  33   4.300  -4.952  10.765
  213    H    ALA  34           H        ALA  34   4.157  -7.036   8.518
  214    HA   ALA  34           HA       ALA  34   2.212  -6.783   6.713
  215   1HB   ALA  34          1HB       ALA  34   3.423  -8.856   7.249
  216   2HB   ALA  34          2HB       ALA  34   2.483  -9.031   8.746
  217   3HB   ALA  34          3HB       ALA  34   1.671  -9.156   7.160
  218    H    GLU  35           HN       GLU  35   1.392  -7.160  10.253
  219    HA   GLU  35           HA       GLU  35  -1.400  -7.308   9.874
  220   1HB   GLU  35          1HB       GLU  35   0.411  -6.381  12.176
  221   2HB   GLU  35          2HB       GLU  35  -1.316  -6.620  12.260
  222   1HG   GLU  35          2HG       GLU  35  -0.323  -8.584  13.170
  223   2HG   GLU  35          1HG       GLU  35  -1.038  -9.024  11.615
  224    H    GLU  36           HN       GLU  36   0.839  -4.646  10.580
  225    HA   GLU  36           HA       GLU  36  -0.903  -2.459  10.926
  226   1HB   GLU  36          2HB       GLU  36   1.829  -3.009  11.003
  227   2HB   GLU  36          1HB       GLU  36   1.752  -2.071   9.525
  228   1HG   GLU  36          2HG       GLU  36   0.765  -1.166  12.233
  229   2HG   GLU  36          1HG       GLU  36   2.380  -0.921  11.521
  230    H    LEU  37           H        LEU  37   1.006  -3.545   8.126
  231    HA   LEU  37           HA       LEU  37   0.119  -1.855   6.152
  232   1HB   LEU  37          2HB       LEU  37   1.355  -4.621   6.429
  233   2HB   LEU  37          1HB       LEU  37   1.052  -3.956   4.875
  234    HG   LEU  37           HG       LEU  37   2.675  -2.472   6.967
  235   1HD1  LEU  37          3HD2      LEU  37   3.660  -4.277   4.743
  236   2HD1  LEU  37          1HD2      LEU  37   4.693  -3.266   5.775
  237   3HD1  LEU  37          2HD2      LEU  37   3.783  -4.616   6.468
  238   1HD2  LEU  37          3HD1      LEU  37   2.416  -2.155   3.945
  239   2HD2  LEU  37          2HD1      LEU  37   1.912  -0.984   5.187
  240   3HD2  LEU  37          1HD1      LEU  37   3.624  -1.329   4.942
  241    H    TYR  38           HN       TYR  38  -0.880  -5.316   6.590
  242    HA   TYR  38           HA       TYR  38  -2.865  -5.484   4.755
  243   1HB   TYR  38          2HB       TYR  38  -2.183  -7.392   6.043
  244   2HB   TYR  38          1HB       TYR  38  -2.804  -6.671   7.529
  245    HD1  TYR  38           HD1      TYR  38  -4.094  -7.428   4.047
  246    HD2  TYR  38           HE2      TYR  38  -4.859  -7.496   8.292
  247    HE1  TYR  38           HD2      TYR  38  -6.347  -8.363   3.630
  248    HE2  TYR  38           HE1      TYR  38  -7.082  -8.514   7.867
  249    HH   TYR  38           HH       TYR  38  -8.151  -9.486   4.617
  250    H    LYS  39           HN       LYS  39  -3.361  -4.306   8.092
  251    HA   LYS  39           HA       LYS  39  -6.143  -3.748   7.735
  252   1HB   LYS  39          1HB       LYS  39  -4.051  -2.495   9.569
  253   2HB   LYS  39          2HB       LYS  39  -5.768  -2.129   9.671
  254   1HG   LYS  39          2HG       LYS  39  -4.568  -4.922   9.981
  255   2HG   LYS  39          1HG       LYS  39  -4.958  -3.834  11.318
  256   1HD   LYS  39          2HD       LYS  39  -7.358  -3.807  10.537
  257   2HD   LYS  39          1HD       LYS  39  -6.948  -5.051   9.340
  258   1HE   LYS  39          2HE       LYS  39  -6.638  -5.331  12.362
  259   2HE   LYS  39          1HE       LYS  39  -7.938  -6.025  11.382
  260   1HZ   LYS  39          1HZ       LYS  39  -6.293  -7.294  10.199
  261   2HZ   LYS  39          3HZ       LYS  39  -5.085  -6.668  11.130
  262   3HZ   LYS  39          2HZ       LYS  39  -6.242  -7.619  11.813
  263    H    LYS  40           HN       LYS  40  -3.280  -1.562   7.230
  264    HA   LYS  40           HA       LYS  40  -4.871   0.653   6.494
  265   1HB   LYS  40          1HB       LYS  40  -1.979  -0.158   6.014
  266   2HB   LYS  40          2HB       LYS  40  -2.669   1.412   5.654
  267   1HG   LYS  40          2HG       LYS  40  -2.785   0.211   8.458
  268   2HG   LYS  40          1HG       LYS  40  -1.404   1.139   7.879
  269   1HD   LYS  40          1HD       LYS  40  -2.794   3.094   7.518
  270   2HD   LYS  40          2HD       LYS  40  -4.270   2.210   7.929
  271   1HE   LYS  40          2HE       LYS  40  -3.555   3.585   9.813
  272   2HE   LYS  40          1HE       LYS  40  -3.470   1.865  10.233
  273   1HZ   LYS  40          3HZ       LYS  40  -1.185   3.488   9.359
  274   2HZ   LYS  40          1HZ       LYS  40  -1.546   3.144  10.935
  275   3HZ   LYS  40          2HZ       LYS  40  -1.137   1.930   9.897
  276    H    MET  41           H        MET  41  -3.116  -1.744   4.346
  277    HA   MET  41           HA       MET  41  -4.133  -0.504   1.972
  278   1HB   MET  41          1HB       MET  41  -3.824  -2.830   0.904
  279   2HB   MET  41          2HB       MET  41  -2.474  -1.806   1.318
  280   1HG   MET  41          2HG       MET  41  -3.169  -3.781   3.401
  281   2HG   MET  41          1HG       MET  41  -2.613  -4.523   1.897
  282   1HE   MET  41          3HE       MET  41  -0.902  -3.510   0.485
  283   2HE   MET  41          1HE       MET  41  -0.078  -2.034   1.029
  284   3HE   MET  41          2HE       MET  41   0.759  -3.597   1.143
  285    H    LYS  42           HN       LYS  42  -5.574  -3.008   4.128
  286    HA   LYS  42           HA       LYS  42  -7.847  -3.445   2.460
  287   1HB   LYS  42          2HB       LYS  42  -7.204  -4.936   4.285
  288   2HB   LYS  42          1HB       LYS  42  -7.545  -3.661   5.475
  289   1HG   LYS  42          1HG       LYS  42  -9.920  -3.711   4.929
  290   2HG   LYS  42          2HG       LYS  42  -9.625  -4.741   3.525
  291   1HD   LYS  42          1HD       LYS  42 -10.552  -6.011   5.443
  292   2HD   LYS  42          2HD       LYS  42  -8.990  -6.619   4.892
  293   1HE   LYS  42          2HE       LYS  42  -9.175  -6.571   7.364
  294   2HE   LYS  42          1HE       LYS  42  -7.838  -5.577   6.777
  295   1HZ   LYS  42          2HZ       LYS  42 -10.490  -4.573   7.559
  296   2HZ   LYS  42          1HZ       LYS  42  -9.121  -4.475   8.472
  297   3HZ   LYS  42          3HZ       LYS  42  -9.222  -3.652   7.049
  298    H    GLY  43           H        GLY  43  -7.180  -1.045   5.070
  299   1HA   GLY  43          2HA       GLY  43  -9.663   0.231   5.189
  300   2HA   GLY  43          1HA       GLY  43  -8.089   0.962   5.522
  301    H    TYR  44           H        TYR  44  -6.811   1.025   3.129
  302    HA   TYR  44           HA       TYR  44  -7.978   3.158   1.687
  303   1HB   TYR  44          2HB       TYR  44  -5.752   1.161   1.113
  304   2HB   TYR  44          1HB       TYR  44  -6.252   2.383  -0.038
  305    HD1  TYR  44           HD1      TYR  44  -6.432   4.885   0.990
  306    HD2  TYR  44           HD2      TYR  44  -3.697   1.770   2.165
  307    HE1  TYR  44           HE1      TYR  44  -5.000   6.549   2.132
  308    HE2  TYR  44           HE2      TYR  44  -2.154   3.489   3.060
  309    HH   TYR  44           HH       TYR  44  -1.859   5.702   3.583
  310    H    ALA  45           H        ALA  45  -7.634  -0.325   0.745
  311    HA   ALA  45           HA       ALA  45  -9.075  -0.143  -1.661
  312   1HB   ALA  45          2HB       ALA  45  -8.869  -2.494   0.269
  313   2HB   ALA  45          3HB       ALA  45  -9.396  -2.587  -1.427
  314   3HB   ALA  45          1HB       ALA  45  -7.742  -2.082  -1.044
  315    H    ASP  46           HN       ASP  46 -10.312  -0.756   1.638
  316    HA   ASP  46           HA       ASP  46 -13.054  -1.147   0.923
  317   1HB   ASP  46          2HB       ASP  46 -12.234  -1.853   3.077
  318   2HB   ASP  46          1HB       ASP  46 -11.649  -0.228   3.459
  319    H    GLY  47           H        GLY  47 -11.085   1.738   1.637
  320   1HA   GLY  47          1HA       GLY  47 -11.462   3.857   0.729
  321   2HA   GLY  47          2HA       GLY  47 -13.170   3.494   0.457
  322    H    SER  48           H        SER  48 -11.594   2.696   3.529
  323    HA   SER  48           HA       SER  48 -13.252   4.758   4.943
  324   1HB   SER  48          1HB       SER  48 -12.369   3.359   6.949
  325   2HB   SER  48          2HB       SER  48 -13.632   2.656   5.926
  326    HG   SER  48           HG       SER  48 -12.277   1.271   5.105
  327    H    TYR  49           H        TYR  49 -10.101   3.184   5.306
  328    HA   TYR  49           HA       TYR  49  -8.813   5.620   6.299
  329   1HB   TYR  49          1HB       TYR  49  -8.189   3.236   6.955
  330   2HB   TYR  49          2HB       TYR  49  -7.485   3.047   5.359
  331    HD1  TYR  49           HD2      TYR  49  -7.272   4.988   8.532
  332    HD2  TYR  49           HD1      TYR  49  -5.281   3.904   4.864
  333    HE1  TYR  49           HE2      TYR  49  -5.189   6.054   9.341
  334    HE2  TYR  49           HE1      TYR  49  -3.219   5.018   5.657
  335    HH   TYR  49           HH       TYR  49  -2.216   6.289   7.368
  336    H    GLY  50           H        GLY  50  -9.619   6.893   4.323
  337   1HA   GLY  50          2HA       GLY  50  -7.442   7.096   2.372
  338   2HA   GLY  50          1HA       GLY  50  -8.986   6.553   1.701
  339    H    GLY  51           H        GLY  51  -8.450   8.773   0.524
  340   1HA   GLY  51          2HA       GLY  51 -10.299  10.717   1.221
  341   2HA   GLY  51          1HA       GLY  51  -8.749  11.237   1.925
  342    H    GLU  52           HN       GLU  52  -9.614  12.897   0.072
  343    HA   GLU  52           HA       GLU  52  -9.361  12.478  -2.628
  344   1HB   GLU  52          1HB       GLU  52  -8.495  14.941  -1.046
  345   2HB   GLU  52          2HB       GLU  52  -8.752  14.882  -2.796
  346   1HG   GLU  52          1HG       GLU  52 -11.118  14.234  -2.448
  347   2HG   GLU  52          2HG       GLU  52 -10.902  14.324  -0.693
  348    H    ARG  53           HN       ARG  53  -6.608  13.494  -0.493
  349    HA   ARG  53           HA       ARG  53  -4.651  13.458  -2.481
  350   1HB   ARG  53          1HB       ARG  53  -3.135  13.557  -0.660
  351   2HB   ARG  53          2HB       ARG  53  -4.529  14.546  -0.255
  352   1HG   ARG  53          1HG       ARG  53  -5.404  12.639   1.180
  353   2HG   ARG  53          2HG       ARG  53  -3.934  11.738   0.803
  354   1HD   ARG  53          1HD       ARG  53  -3.901  14.462   2.146
  355   2HD   ARG  53          2HD       ARG  53  -3.891  12.907   2.996
  356    HE   ARG  53           HE       ARG  53  -1.831  13.183   0.930
  357   1HH1  ARG  53          1HH1      ARG  53  -2.534  13.774   4.356
  358   2HH1  ARG  53          2HH1      ARG  53  -0.861  13.652   4.835
  359   1HH2  ARG  53          1HH2      ARG  53   0.326  13.118   1.551
  360   2HH2  ARG  53          2HH2      ARG  53   0.801  13.300   3.209
  361    H    LYS  54           HN       LYS  54  -6.197  10.759  -0.901
  362    HA   LYS  54           HA       LYS  54  -3.960   8.879  -1.388
  363   1HB   LYS  54          1HB       LYS  54  -6.677   8.318  -0.205
  364   2HB   LYS  54          2HB       LYS  54  -5.222   7.342  -0.108
  365   1HG   LYS  54          1HG       LYS  54  -5.611  10.095   1.184
  366   2HG   LYS  54          2HG       LYS  54  -5.719   8.575   2.023
  367   1HD   LYS  54          2HD       LYS  54  -3.316   8.071   1.403
  368   2HD   LYS  54          1HD       LYS  54  -3.212   9.666   0.667
  369   1HE   LYS  54          2HE       LYS  54  -4.063  10.520   3.027
  370   2HE   LYS  54          1HE       LYS  54  -3.583   8.909   3.585
  371   1HZ   LYS  54          1HZ       LYS  54  -1.387   9.386   2.682
  372   2HZ   LYS  54          3HZ       LYS  54  -1.870  10.903   2.270
  373   3HZ   LYS  54          2HZ       LYS  54  -1.822  10.461   3.854
  374    H    ALA  55           H        ALA  55  -7.132   9.803  -2.610
  375    HA   ALA  55           HA       ALA  55  -8.340   8.022  -3.929
  376   1HB   ALA  55          3HB       ALA  55  -8.722  10.389  -4.337
  377   2HB   ALA  55          2HB       ALA  55  -7.300  10.467  -5.404
  378   3HB   ALA  55          1HB       ALA  55  -8.714   9.495  -5.868
  379    H    MET  56           H        MET  56  -5.276   9.044  -5.543
  380    HA   MET  56           HA       MET  56  -5.455   7.182  -7.700
  381   1HB   MET  56          1HB       MET  56  -2.999   8.394  -6.348
  382   2HB   MET  56          2HB       MET  56  -3.009   7.559  -7.908
  383   1HG   MET  56          2HG       MET  56  -4.475  10.159  -7.275
  384   2HG   MET  56          1HG       MET  56  -2.982   9.975  -8.183
  385   1HE   MET  56          2HE       MET  56  -6.522  10.768  -8.530
  386   2HE   MET  56          3HE       MET  56  -7.178   9.745  -9.827
  387   3HE   MET  56          1HE       MET  56  -6.860   9.045  -8.228
  388    H    MET  57           H        MET  57  -3.801   6.938  -4.544
  389    HA   MET  57           HA       MET  57  -2.800   4.250  -4.908
  390   1HB   MET  57          2HB       MET  57  -1.753   5.629  -3.267
  391   2HB   MET  57          1HB       MET  57  -3.286   6.024  -2.490
  392   1HG   MET  57          2HG       MET  57  -3.581   3.790  -1.650
  393   2HG   MET  57          1HG       MET  57  -2.197   3.193  -2.572
  394   1HE   MET  57          3HE       MET  57  -3.178   6.046  -0.067
  395   2HE   MET  57          1HE       MET  57  -1.683   6.249   0.881
  396   3HE   MET  57          2HE       MET  57  -1.737   6.758  -0.818
  397    H    THR  58           H        THR  58  -5.698   5.751  -3.350
  398    HA   THR  58           HA       THR  58  -6.868   3.473  -2.292
  399    HB   THR  58           HB       THR  58  -8.470   5.669  -3.640
  400    HG1  THR  58           HG1      THR  58  -6.903   5.709  -1.277
  401   1HG2  THR  58          3HG2      THR  58  -9.674   3.772  -2.465
  402   2HG2  THR  58          1HG2      THR  58  -8.848   4.279  -0.972
  403   3HG2  THR  58          2HG2      THR  58  -9.972   5.383  -1.779
  404    H    ASN  59           H        ASN  59  -7.327   4.782  -5.650
  405    HA   ASN  59           HA       ASN  59  -8.965   2.575  -6.459
  406   1HB   ASN  59          1HB       ASN  59  -8.768   4.842  -7.582
  407   2HB   ASN  59          2HB       ASN  59  -7.272   4.265  -8.321
  408   1HD2  ASN  59          1HD2      ASN  59  -9.761   1.637  -9.882
  409   2HD2  ASN  59          2HD2      ASN  59  -8.713   1.323  -8.514
  410    H    ALA  60           H        ALA  60  -5.400   3.170  -6.610
  411    HA   ALA  60           HA       ALA  60  -4.756   0.995  -8.307
  412   1HB   ALA  60          2HB       ALA  60  -3.162   2.785  -7.664
  413   2HB   ALA  60          3HB       ALA  60  -3.081   2.115  -6.020
  414   3HB   ALA  60          1HB       ALA  60  -2.506   1.159  -7.393
  415    H    VAL  61           H        VAL  61  -5.032   1.144  -4.733
  416    HA   VAL  61           HA       VAL  61  -4.570  -1.721  -4.505
  417    HB   VAL  61           HB       VAL  61  -3.745  -0.034  -2.899
  418   1HG1  VAL  61          1HG1      VAL  61  -5.817   1.352  -2.701
  419   2HG1  VAL  61          2HG1      VAL  61  -6.603   0.020  -1.852
  420   3HG1  VAL  61          3HG1      VAL  61  -5.158   0.799  -1.161
  421   1HG2  VAL  61          3HG2      VAL  61  -3.862  -2.453  -2.355
  422   2HG2  VAL  61          1HG2      VAL  61  -4.090  -1.411  -0.935
  423   3HG2  VAL  61          2HG2      VAL  61  -5.485  -2.202  -1.685
  424    H    LYS  62           HN       LYS  62  -7.479   0.314  -4.824
  425    HA   LYS  62           HA       LYS  62  -9.450  -1.336  -3.789
  426   1HB   LYS  62          1HB       LYS  62  -9.823   0.889  -4.903
  427   2HB   LYS  62          2HB       LYS  62  -9.500   0.122  -6.456
  428   1HG   LYS  62          2HG       LYS  62 -11.806   0.334  -6.373
  429   2HG   LYS  62          1HG       LYS  62 -11.491  -1.371  -6.098
  430   1HD   LYS  62          2HD       LYS  62 -13.225  -0.710  -4.615
  431   2HD   LYS  62          1HD       LYS  62 -11.795  -0.959  -3.613
  432   1HE   LYS  62          1HE       LYS  62 -11.438   1.479  -3.468
  433   2HE   LYS  62          2HE       LYS  62 -12.730   1.772  -4.654
  434   1HZ   LYS  62          1HZ       LYS  62 -14.271   0.843  -3.067
  435   2HZ   LYS  62          3HZ       LYS  62 -13.042   0.602  -1.989
  436   3HZ   LYS  62          2HZ       LYS  62 -13.463   2.132  -2.429
  437    H    LYS  63           HN       LYS  63  -7.553  -1.788  -6.835
  438    HA   LYS  63           HA       LYS  63  -9.078  -3.738  -8.002
  439   1HB   LYS  63          1HB       LYS  63  -6.051  -3.389  -8.045
  440   2HB   LYS  63          2HB       LYS  63  -7.092  -4.093  -9.263
  441   1HG   LYS  63          1HG       LYS  63  -6.780  -1.186  -8.561
  442   2HG   LYS  63          2HG       LYS  63  -6.426  -1.971 -10.071
  443   1HD   LYS  63          1HD       LYS  63  -9.212  -1.515  -8.888
  444   2HD   LYS  63          2HD       LYS  63  -8.464  -0.593 -10.185
  445   1HE   LYS  63          1HE       LYS  63  -9.196  -3.561 -10.337
  446   2HE   LYS  63          2HE       LYS  63 -10.086  -2.224 -11.071
  447   1HZ   LYS  63          3HZ       LYS  63  -8.146  -1.738 -12.386
  448   2HZ   LYS  63          2HZ       LYS  63  -7.336  -3.010 -11.719
  449   3HZ   LYS  63          1HZ       LYS  63  -8.673  -3.278 -12.641
  450    H    ALA  64           H        ALA  64  -6.898  -3.929  -5.231
  451    HA   ALA  64           HA       ALA  64  -6.260  -6.781  -5.512
  452   1HB   ALA  64          3HB       ALA  64  -4.567  -5.185  -4.724
  453   2HB   ALA  64          2HB       ALA  64  -5.611  -4.711  -3.369
  454   3HB   ALA  64          1HB       ALA  64  -4.963  -6.340  -3.436
  455    H    SER  65           H        SER  65  -7.623  -8.314  -4.774
  456    HA   SER  65           HA       SER  65  -9.693  -7.665  -2.742
  457   1HB   SER  65          2HB       SER  65 -10.298  -9.077  -4.687
  458   2HB   SER  65          1HB       SER  65  -9.187 -10.335  -4.109
  459    HG   SER  65           HG       SER  65 -11.403 -10.569  -3.399
  460    H    ASP  66           HN       ASP  66  -9.754  -9.976  -1.257
  461    HA   ASP  66           HA       ASP  66  -7.971  -9.251   0.774
  462   1HB   ASP  66          1HB       ASP  66 -10.040 -10.525   1.184
  463   2HB   ASP  66          2HB       ASP  66  -9.313 -11.965   0.447
  464    H    GLU  67           HN       GLU  67  -7.461 -12.108  -1.362
  465    HA   GLU  67           HA       GLU  67  -5.102 -12.972  -0.079
  466   1HB   GLU  67          2HB       GLU  67  -6.409 -14.216  -1.873
  467   2HB   GLU  67          1HB       GLU  67  -5.635 -13.160  -3.077
  468   1HG   GLU  67          1HG       GLU  67  -3.398 -13.956  -2.304
  469   2HG   GLU  67          2HG       GLU  67  -4.197 -15.022  -1.137
  470    H    GLU  68           HN       GLU  68  -5.534 -10.728  -2.794
  471    HA   GLU  68           HA       GLU  68  -2.889 -10.100  -3.368
  472   1HB   GLU  68          2HB       GLU  68  -5.516  -8.555  -3.598
  473   2HB   GLU  68          1HB       GLU  68  -4.048  -8.222  -4.422
  474   1HG   GLU  68          1HG       GLU  68  -4.911  -9.504  -6.077
  475   2HG   GLU  68          2HG       GLU  68  -4.412 -10.901  -5.097
  476    H    LEU  69           H        LEU  69  -5.293  -8.450  -1.271
  477    HA   LEU  69           HA       LEU  69  -3.644  -6.330  -0.374
  478   1HB   LEU  69          1HB       LEU  69  -5.921  -7.823   0.992
  479   2HB   LEU  69          2HB       LEU  69  -5.175  -6.383   1.683
  480    HG   LEU  69           HG       LEU  69  -6.395  -6.365  -1.105
  481   1HD1  LEU  69          3HD2      LEU  69  -7.710  -5.696   1.565
  482   2HD1  LEU  69          2HD2      LEU  69  -8.394  -5.331  -0.037
  483   3HD1  LEU  69          1HD2      LEU  69  -8.173  -7.009   0.466
  484   1HD2  LEU  69          3HD1      LEU  69  -5.768  -4.169   0.889
  485   2HD2  LEU  69          2HD1      LEU  69  -4.865  -4.500  -0.610
  486   3HD2  LEU  69          1HD1      LEU  69  -6.547  -3.966  -0.692
  487    H    LYS  70           HN       LYS  70  -4.149  -9.612   1.069
  488    HA   LYS  70           HA       LYS  70  -2.335  -9.205   3.224
  489   1HB   LYS  70          1HB       LYS  70  -3.266 -11.704   1.749
  490   2HB   LYS  70          2HB       LYS  70  -2.317 -11.733   3.248
  491   1HG   LYS  70          1HG       LYS  70  -4.073 -10.755   4.525
  492   2HG   LYS  70          2HG       LYS  70  -4.952 -10.222   3.089
  493   1HD   LYS  70          2HD       LYS  70  -6.002 -12.181   4.178
  494   2HD   LYS  70          1HD       LYS  70  -5.581 -12.441   2.475
  495   1HE   LYS  70          1HE       LYS  70  -3.621 -13.725   3.056
  496   2HE   LYS  70          2HE       LYS  70  -3.802 -13.317   4.777
  497   1HZ   LYS  70          1HZ       LYS  70  -5.689 -14.905   3.172
  498   2HZ   LYS  70          3HZ       LYS  70  -4.615 -15.510   4.267
  499   3HZ   LYS  70          2HZ       LYS  70  -5.855 -14.548   4.772
  500    H    ALA  71           H        ALA  71  -1.859 -10.475  -0.094
  501    HA   ALA  71           HA       ALA  71   0.889 -11.101   0.312
  502   1HB   ALA  71          3HB       ALA  71  -0.461 -12.016  -1.557
  503   2HB   ALA  71          1HB       ALA  71  -0.621 -10.388  -2.254
  504   3HB   ALA  71          2HB       ALA  71   0.975 -11.160  -2.170
  505    H    LEU  72           H        LEU  72  -0.687  -7.994  -0.697
  506    HA   LEU  72           HA       LEU  72   1.807  -6.761  -1.418
  507   1HB   LEU  72          1HB       LEU  72  -1.058  -5.947  -0.817
  508   2HB   LEU  72          2HB       LEU  72   0.211  -4.752  -0.897
  509    HG   LEU  72           HG       LEU  72  -0.236  -6.674  -3.189
  510   1HD1  LEU  72          2HD2      LEU  72  -1.510  -3.967  -2.627
  511   2HD1  LEU  72          3HD2      LEU  72  -1.500  -4.732  -4.223
  512   3HD1  LEU  72          1HD2      LEU  72  -2.333  -5.518  -2.867
  513   1HD2  LEU  72          1HD1      LEU  72   1.154  -3.960  -2.899
  514   2HD2  LEU  72          3HD1      LEU  72   1.948  -5.508  -3.218
  515   3HD2  LEU  72          2HD1      LEU  72   0.904  -4.787  -4.440
  516    H    ALA  73           H        ALA  73  -0.301  -6.834   1.501
  517    HA   ALA  73           HA       ALA  73   1.324  -5.298   3.167
  518   1HB   ALA  73          2HB       ALA  73  -0.953  -6.158   3.735
  519   2HB   ALA  73          1HB       ALA  73  -0.286  -7.784   3.941
  520   3HB   ALA  73          3HB       ALA  73   0.237  -6.480   5.015
  521    H    ASP  74           HN       ASP  74   1.461  -8.880   2.653
  522    HA   ASP  74           HA       ASP  74   3.666  -9.325   4.335
  523   1HB   ASP  74          1HB       ASP  74   2.313 -11.157   3.434
  524   2HB   ASP  74          2HB       ASP  74   2.905 -10.817   1.796
  525    H    TYR  75           H        TYR  75   3.636  -8.563   0.790
  526    HA   TYR  75           HA       TYR  75   6.377  -8.651   0.311
  527   1HB   TYR  75          1HB       TYR  75   4.599  -8.330  -1.368
  528   2HB   TYR  75          2HB       TYR  75   4.309  -6.704  -0.805
  529    HD1  TYR  75           HD1      TYR  75   6.674  -8.882  -2.642
  530    HD2  TYR  75           HD2      TYR  75   5.778  -4.857  -1.379
  531    HE1  TYR  75           HE1      TYR  75   8.323  -7.989  -4.274
  532    HE2  TYR  75           HE2      TYR  75   7.455  -3.984  -2.965
  533    HH   TYR  75           HH       TYR  75   8.944  -4.489  -4.639
  534    H    MET  76           H        MET  76   4.504  -5.701   1.137
  535    HA   MET  76           HA       MET  76   6.748  -3.998   1.592
  536   1HB   MET  76          1HB       MET  76   3.875  -3.973   2.551
  537   2HB   MET  76          2HB       MET  76   5.025  -2.706   3.035
  538   1HG   MET  76          1HG       MET  76   5.434  -2.105   0.728
  539   2HG   MET  76          2HG       MET  76   4.528  -3.513   0.166
  540   1HE   MET  76          3HE       MET  76   3.462  -2.119  -1.455
  541   2HE   MET  76          1HE       MET  76   2.301  -3.299  -0.788
  542   3HE   MET  76          2HE       MET  76   1.792  -1.611  -1.117
  543    H    SER  77           H        SER  77   5.100  -6.207   3.757
  544    HA   SER  77           HA       SER  77   6.351  -5.368   6.164
  545   1HB   SER  77          1HB       SER  77   4.389  -6.901   6.014
  546   2HB   SER  77          2HB       SER  77   5.502  -8.205   5.573
  547    HG   SER  77           HG       SER  77   6.678  -7.456   7.577
  548    H    LYS  78           HN       LYS  78   7.830  -7.068   3.450
  549    HA   LYS  78           HA       LYS  78  10.172  -7.827   5.152
  550   1HB   LYS  78          2HB       LYS  78   9.029  -9.357   2.777
  551   2HB   LYS  78          1HB       LYS  78  10.393  -9.832   3.791
  552   1HG   LYS  78          1HG       LYS  78   7.467  -9.674   4.623
  553   2HG   LYS  78          2HG       LYS  78   8.340 -11.141   4.202
  554   1HD   LYS  78          2HD       LYS  78   9.885 -10.796   6.119
  555   2HD   LYS  78          1HD       LYS  78   8.986  -9.353   6.595
  556   1HE   LYS  78          2HE       LYS  78   7.896 -12.203   6.476
  557   2HE   LYS  78          1HE       LYS  78   8.271 -11.270   7.935
  558   1HZ   LYS  78          1HZ       LYS  78   6.557  -9.698   7.248
  559   2HZ   LYS  78          2HZ       LYS  78   6.175 -10.670   5.968
  560   3HZ   LYS  78          3HZ       LYS  78   5.964 -11.215   7.504
  561    H    LEU  79           H        LEU  79  10.115  -5.250   4.101
  562    HA   LEU  79           HA       LEU  79  11.799  -5.334   1.745
  563   1HB   LEU  79          2HB       LEU  79   9.334  -5.426   1.126
  564   2HB   LEU  79          1HB       LEU  79   9.083  -4.019   2.190
  565    HG   LEU  79           HG       LEU  79  10.583  -2.753   0.752
  566   1HD1  LEU  79          3HD1      LEU  79  10.362  -5.261  -1.011
  567   2HD1  LEU  79          1HD1      LEU  79  10.977  -3.713  -1.618
  568   3HD1  LEU  79          2HD1      LEU  79  11.860  -4.572  -0.349
  569   1HD2  LEU  79          3HD2      LEU  79   8.069  -4.070  -0.365
  570   2HD2  LEU  79          1HD2      LEU  79   8.197  -2.501   0.456
  571   3HD2  LEU  79          2HD2      LEU  79   8.800  -2.702  -1.203
  572    HHA  HEC   1           HHA      HEM   1   1.861   4.881   3.499
  573    HHB  HEC   1           HHB      HEM   1  -0.590  -0.238   0.566
  574    HHC  HEC   1           HHC      HEM   1   0.740   2.620  -4.974
  575    HHD  HEC   1           HHD      HEM   1   1.020   8.248  -1.794
  576   1HMA  HEC   1          1HMA      HEM   1   0.570  -0.807   3.016
  577   2HMA  HEC   1          2HMA      HEM   1  -1.135  -0.290   2.898
  578   3HMA  HEC   1          3HMA      HEM   1  -0.201   0.070   4.352
  579   1HAA  HEC   1          1HAA      HEM   1   1.425   1.544   5.176
  580   2HAA  HEC   1          2HAA      HEM   1   2.024   3.146   4.836
  581   1HBA  HEC   1          1HBA      HEM   1  -0.648   2.253   5.865
  582   2HBA  HEC   1          2HBA      HEM   1  -0.640   3.713   4.876
  583   1HMB  HEC   1          1HMB      HEM   1  -0.191  -2.065  -1.886
  584   2HMB  HEC   1          2HMB      HEM   1  -1.622  -1.573  -2.809
  585   3HMB  HEC   1          3HMB      HEM   1  -1.601  -1.369  -1.066
  586    HAB  HEC   1           HAB      HEM   1   0.424   0.572  -5.451
  587   1HBB  HEC   1          1HBB      HEM   1   0.461  -1.804  -5.851
  588   2HBB  HEC   1          2HBB      HEM   1  -1.052  -1.448  -5.012
  589   3HBB  HEC   1          3HBB      HEM   1   0.327  -2.167  -4.130
  590   1HMC  HEC   1          1HMC      HEM   1   1.837   4.525  -6.412
  591   2HMC  HEC   1          2HMC      HEM   1   0.951   6.022  -6.733
  592   3HMC  HEC   1          3HMC      HEM   1   0.058   4.522  -6.449
  593    HAC  HEC   1           HAC      HEM   1   1.818   8.529  -3.783
  594   1HBC  HEC   1          1HBC      HEM   1   0.712   9.508  -5.765
  595   2HBC  HEC   1          2HBC      HEM   1  -0.046   7.950  -6.112
  596   3HBC  HEC   1          3HBC      HEM   1  -0.453   8.808  -4.615
  597   1HMD  HEC   1          1HMD      HEM   1   1.492   9.731   0.185
  598   2HMD  HEC   1          2HMD      HEM   1   0.588   9.802   1.698
  599   3HMD  HEC   1          3HMD      HEM   1  -0.266   9.470   0.181
  600   1HAD  HEC   1          1HAD      HEM   1  -0.581   7.728   3.446
  601   2HAD  HEC   1          2HAD      HEM   1   0.933   8.583   3.603
  602   1HBD  HEC   1          1HBD      HEM   1   0.306   5.791   4.681
  603   2HBD  HEC   1          2HBD      HEM   1   1.869   6.585   4.874
   
  No H/Q in entry =         603
  Start of MODEL   19
    1   1H    ALA   1          3H        ALA   1  -2.783 -14.998  -6.152
    2   2H    ALA   1          2H        ALA   1  -3.473 -13.689  -6.785
    3   3H    ALA   1          1H        ALA   1  -3.464 -15.097  -7.680
    4    HA   ALA   1           HA       ALA   1  -1.149 -14.967  -8.000
    5   1HB   ALA   1          1HB       ALA   1  -2.471 -13.387  -9.431
    6   2HB   ALA   1          2HB       ALA   1  -2.175 -12.099  -8.245
    7   3HB   ALA   1          3HB       ALA   1  -0.821 -12.834  -9.127
    8    H    ASP   2           HN       ASP   2   0.226 -12.186  -7.419
    9    HA   ASP   2           HA       ASP   2   0.481 -12.425  -4.494
   10   1HB   ASP   2          2HB       ASP   2   2.118 -14.046  -5.386
   11   2HB   ASP   2          1HB       ASP   2   2.824 -12.781  -6.409
   12    H    GLY   3           H        GLY   3   0.963 -10.597  -3.553
   13   1HA   GLY   3          2HA       GLY   3   0.522  -8.107  -4.384
   14   2HA   GLY   3          1HA       GLY   3   1.683  -8.503  -3.104
   15    H    ALA   4           H        ALA   4   3.707  -9.770  -4.803
   16    HA   ALA   4           HA       ALA   4   5.235  -7.506  -5.449
   17   1HB   ALA   4          1HB       ALA   4   6.177  -9.760  -5.039
   18   2HB   ALA   4          3HB       ALA   4   5.476 -10.335  -6.570
   19   3HB   ALA   4          2HB       ALA   4   6.747  -9.093  -6.582
   20    H    ALA   5           H        ALA   5   2.882  -9.234  -7.479
   21    HA   ALA   5           HA       ALA   5   3.754  -8.019  -9.972
   22   1HB   ALA   5          2HB       ALA   5   1.073  -9.222  -9.162
   23   2HB   ALA   5          1HB       ALA   5   1.568  -8.782 -10.810
   24   3HB   ALA   5          3HB       ALA   5   2.422 -10.074  -9.942
   25    H    LEU   6           H        LEU   6   1.150  -7.362  -7.622
   26    HA   LEU   6           HA       LEU   6  -0.068  -5.112  -8.779
   27   1HB   LEU   6          1HB       LEU   6   0.280  -6.050  -5.924
   28   2HB   LEU   6          2HB       LEU   6  -0.641  -4.617  -6.372
   29    HG   LEU   6           HG       LEU   6  -2.148  -5.934  -7.720
   30   1HD1  LEU   6          3HD2      LEU   6  -0.595  -8.394  -6.830
   31   2HD1  LEU   6          1HD2      LEU   6  -2.226  -8.411  -7.530
   32   3HD1  LEU   6          2HD2      LEU   6  -0.879  -7.843  -8.505
   33   1HD2  LEU   6          2HD1      LEU   6  -2.381  -5.538  -5.221
   34   2HD2  LEU   6          1HD1      LEU   6  -3.267  -6.953  -5.825
   35   3HD2  LEU   6          3HD1      LEU   6  -1.720  -7.159  -4.951
   36    H    TYR   7           H        TYR   7   2.476  -5.381  -6.325
   37    HA   TYR   7           HA       TYR   7   2.742  -2.861  -5.487
   38   1HB   TYR   7          1HB       TYR   7   3.902  -4.843  -4.556
   39   2HB   TYR   7          2HB       TYR   7   5.080  -4.751  -5.870
   40    HD1  TYR   7           HD1      TYR   7   3.486  -2.677  -3.171
   41    HD2  TYR   7           HD2      TYR   7   6.974  -3.282  -5.632
   42    HE1  TYR   7           HE1      TYR   7   4.496  -0.607  -2.261
   43    HE2  TYR   7           HE2      TYR   7   8.002  -1.260  -4.661
   44    HH   TYR   7           HH       TYR   7   7.703   0.541  -3.289
   45    H    LYS   8           HN       LYS   8   4.030  -4.001  -8.554
   46    HA   LYS   8           HA       LYS   8   5.938  -2.013  -9.103
   47   1HB   LYS   8          2HB       LYS   8   4.001  -3.408 -10.994
   48   2HB   LYS   8          1HB       LYS   8   5.447  -2.497 -11.478
   49   1HG   LYS   8          2HG       LYS   8   6.861  -4.027 -10.103
   50   2HG   LYS   8          1HG       LYS   8   5.422  -4.976  -9.687
   51   1HD   LYS   8          2HD       LYS   8   5.054  -5.524 -12.061
   52   2HD   LYS   8          1HD       LYS   8   6.451  -4.532 -12.517
   53   1HE   LYS   8          2HE       LYS   8   7.142  -6.864 -12.460
   54   2HE   LYS   8          1HE       LYS   8   7.936  -5.998 -11.135
   55   1HZ   LYS   8          1HZ       LYS   8   6.221  -6.893  -9.662
   56   2HZ   LYS   8          2HZ       LYS   8   5.563  -7.714 -10.927
   57   3HZ   LYS   8          3HZ       LYS   8   7.081  -8.083 -10.410
   58    H    SER   9           H        SER   9   2.391  -1.868  -9.265
   59    HA   SER   9           HA       SER   9   2.116   0.585 -10.650
   60   1HB   SER   9          2HB       SER   9   0.236  -0.423  -8.490
   61   2HB   SER   9          1HB       SER   9  -0.148   0.469  -9.973
   62    HG   SER   9           HG       SER   9   0.576  -2.243  -9.614
   63    H    CYS  10           H        CYS  10   3.098  -0.044  -7.358
   64    HA   CYS  10           HA       CYS  10   2.258   2.572  -6.308
   65   1HB   CYS  10          2HB       CYS  10   3.909   0.547  -4.865
   66   2HB   CYS  10          1HB       CYS  10   2.742   1.654  -4.193
   67    H    ILE  11           H        ILE  11   5.077   0.993  -7.626
   68    HA   ILE  11           HA       ILE  11   7.142   2.541  -6.408
   69    HB   ILE  11           HB       ILE  11   6.998   1.362  -9.189
   70   1HG1  ILE  11          2HG1      ILE  11   8.077   0.217  -6.560
   71   2HG1  ILE  11          1HG1      ILE  11   6.644  -0.351  -7.420
   72   1HG2  ILE  11          2HG2      ILE  11   8.829   3.016  -8.995
   73   2HG2  ILE  11          3HG2      ILE  11   9.431   2.190  -7.540
   74   3HG2  ILE  11          1HG2      ILE  11   9.486   1.401  -9.131
   75   1HD1  ILE  11          1HD1      ILE  11   8.152  -0.956  -9.369
   76   2HD1  ILE  11          3HD1      ILE  11   9.533  -0.663  -8.281
   77   3HD1  ILE  11          2HD1      ILE  11   8.349  -1.913  -7.885
   78    H    GLY  12           H        GLY  12   8.033   4.537  -7.057
   79   1HA   GLY  12          2HA       GLY  12   8.092   6.484  -8.473
   80   2HA   GLY  12          1HA       GLY  12   6.422   6.191  -8.984
   81    H    CYS  13           H        CYS  13   5.211   5.494  -6.420
   82    HA   CYS  13           HA       CYS  13   5.313   8.175  -5.111
   83   1HB   CYS  13          1HB       CYS  13   3.308   5.937  -5.283
   84   2HB   CYS  13          2HB       CYS  13   3.390   6.954  -3.858
   85    H    HIS  14           HN       HIS  14   5.896   4.699  -4.597
   86    HA   HIS  14           HA       HIS  14   6.661   5.196  -1.788
   87   1HB   HIS  14          1HB       HIS  14   5.691   2.891  -3.510
   88   2HB   HIS  14          2HB       HIS  14   6.406   2.610  -1.947
   89    HD1  HIS  14           HD1      HIS  14   5.431   3.976   0.140
   90    HD2  HIS  14           HD2      HIS  14   3.059   3.855  -3.304
   91    HE1  HIS  14           HE1      HIS  14   3.150   4.694   0.820
   92    H    GLY  15           H        GLY  15   8.082   3.656  -4.676
   93   1HA   GLY  15          1HA       GLY  15  10.559   3.799  -4.946
   94   2HA   GLY  15          2HA       GLY  15  10.717   3.497  -3.224
   95    H    ALA  16           H        ALA  16  12.078   1.759  -4.728
   96    HA   ALA  16           HA       ALA  16  10.665  -0.532  -5.665
   97   1HB   ALA  16          2HB       ALA  16  13.038  -0.101  -6.178
   98   2HB   ALA  16          1HB       ALA  16  13.467  -0.330  -4.467
   99   3HB   ALA  16          3HB       ALA  16  12.829  -1.690  -5.415
  100    H    ASP  17           HN       ASP  17  11.949   0.364  -2.482
  101    HA   ASP  17           HA       ASP  17  10.982  -2.074  -1.187
  102   1HB   ASP  17          1HB       ASP  17  13.095  -0.961  -0.552
  103   2HB   ASP  17          2HB       ASP  17  12.212   0.459   0.011
  104    H    GLY  18           H        GLY  18  10.445   1.375  -0.433
  105   1HA   GLY  18          1HA       GLY  18   8.031   2.108  -0.830
  106   2HA   GLY  18          2HA       GLY  18   7.625   0.865   0.373
  107    H    SER  19           H        SER  19   9.896   3.597  -0.188
  108    HA   SER  19           HA       SER  19   9.846   4.220   2.747
  109   1HB   SER  19          2HB       SER  19  12.278   4.296   0.937
  110   2HB   SER  19          1HB       SER  19  12.213   4.447   2.698
  111    HG   SER  19           HG       SER  19  11.478   2.261   2.752
  112    H    LYS  20           HN       LYS  20   9.755   5.586  -0.544
  113    HA   LYS  20           HA       LYS  20  10.879   8.109   0.354
  114   1HB   LYS  20          1HB       LYS  20  10.614   8.904  -1.802
  115   2HB   LYS  20          2HB       LYS  20  10.990   7.185  -1.991
  116   1HG   LYS  20          2HG       LYS  20   8.465   6.818  -2.160
  117   2HG   LYS  20          1HG       LYS  20   8.283   8.558  -2.299
  118   1HD   LYS  20          1HD       LYS  20  10.008   6.847  -4.164
  119   2HD   LYS  20          2HD       LYS  20   8.356   7.382  -4.498
  120   1HE   LYS  20          2HE       LYS  20   9.107   9.771  -4.241
  121   2HE   LYS  20          1HE       LYS  20  10.782   9.187  -4.144
  122   1HZ   LYS  20          2HZ       LYS  20   8.925   8.739  -6.375
  123   2HZ   LYS  20          3HZ       LYS  20  10.153   9.841  -6.353
  124   3HZ   LYS  20          1HZ       LYS  20  10.494   8.229  -6.312
  125    H    ALA  21           H        ALA  21   9.735  10.162   0.325
  126    HA   ALA  21           HA       ALA  21   7.396  10.091   1.999
  127   1HB   ALA  21          2HB       ALA  21   9.140  11.800   2.225
  128   2HB   ALA  21          3HB       ALA  21   8.773  12.420   0.601
  129   3HB   ALA  21          1HB       ALA  21   7.562  12.537   1.895
  130    H    ALA  22           H        ALA  22   6.102   8.774   0.473
  131    HA   ALA  22           HA       ALA  22   5.109   9.542  -1.948
  132   1HB   ALA  22          1HB       ALA  22   4.550   7.428  -0.698
  133   2HB   ALA  22          3HB       ALA  22   3.341   8.347   0.218
  134   3HB   ALA  22          2HB       ALA  22   3.193   8.184  -1.544
  135    H    MET  23           H        MET  23   3.644  10.930  -2.789
  136    HA   MET  23           HA       MET  23   2.805  13.014  -3.048
  137   1HB   MET  23          2HB       MET  23   1.097  12.300  -0.644
  138   2HB   MET  23          1HB       MET  23   0.710  13.427  -1.955
  139   1HG   MET  23          2HG       MET  23   0.938  11.425  -3.542
  140   2HG   MET  23          1HG       MET  23   0.991  10.414  -2.091
  141   1HE   MET  23          2HE       MET  23  -1.113  11.990  -4.763
  142   2HE   MET  23          1HE       MET  23  -2.661  12.377  -3.991
  143   3HE   MET  23          3HE       MET  23  -1.220  13.357  -3.627
  144    H    GLY  24           H        GLY  24   5.235  12.948  -1.374
  145   1HA   GLY  24          1HA       GLY  24   6.513  14.675  -0.608
  146   2HA   GLY  24          2HA       GLY  24   5.101  15.731  -0.522
  147    H    SER  25           H        SER  25   4.135  12.984   1.165
  148    HA   SER  25           HA       SER  25   5.498  13.321   3.675
  149   1HB   SER  25          1HB       SER  25   2.928  14.894   3.233
  150   2HB   SER  25          2HB       SER  25   3.354  14.269   4.831
  151    HG   SER  25           HG       SER  25   5.199  15.805   3.355
  152    H    ALA  26           H        ALA  26   5.420  11.088   3.994
  153    HA   ALA  26           HA       ALA  26   2.834   9.912   4.640
  154   1HB   ALA  26          1HB       ALA  26   4.526   8.970   2.281
  155   2HB   ALA  26          3HB       ALA  26   3.218   8.021   2.991
  156   3HB   ALA  26          2HB       ALA  26   2.854   9.576   2.211
  157    H    LYS  27           HN       LYS  27   3.124   8.148   6.045
  158    HA   LYS  27           HA       LYS  27   5.648   7.767   7.322
  159   1HB   LYS  27          1HB       LYS  27   3.236   5.885   7.147
  160   2HB   LYS  27          2HB       LYS  27   4.603   5.684   8.233
  161   1HG   LYS  27          1HG       LYS  27   4.056   7.423   9.604
  162   2HG   LYS  27          2HG       LYS  27   3.195   8.327   8.357
  163   1HD   LYS  27          2HD       LYS  27   1.551   7.661   9.869
  164   2HD   LYS  27          1HD       LYS  27   1.324   6.640   8.456
  165   1HE   LYS  27          1HE       LYS  27   2.808   5.777  10.998
  166   2HE   LYS  27          2HE       LYS  27   1.085   5.499  10.696
  167   1HZ   LYS  27          1HZ       LYS  27   1.684   4.260   8.738
  168   2HZ   LYS  27          3HZ       LYS  27   3.281   4.424   9.091
  169   3HZ   LYS  27          2HZ       LYS  27   2.300   3.588  10.112
  170    HA   PRO  28           HA       PRO  28   7.312   5.129   4.117
  171   1HB   PRO  28          2HB       PRO  28   9.276   3.716   5.480
  172   2HB   PRO  28          1HB       PRO  28   9.459   5.445   5.056
  173   1HG   PRO  28          2HG       PRO  28   8.511   4.276   7.687
  174   2HG   PRO  28          1HG       PRO  28   9.753   5.538   7.439
  175   1HD   PRO  28          2HD       PRO  28   7.171   6.148   8.072
  176   2HD   PRO  28          1HD       PRO  28   8.092   7.173   6.928
  177    H    VAL  29           H        VAL  29   6.900   3.039   3.423
  178    HA   VAL  29           HA       VAL  29   4.830   1.631   4.996
  179    HB   VAL  29           HB       VAL  29   5.860   1.144   2.167
  180   1HG1  VAL  29          2HG2      VAL  29   3.213   0.550   3.559
  181   2HG1  VAL  29          3HG2      VAL  29   3.515   0.287   1.839
  182   3HG1  VAL  29          1HG2      VAL  29   4.425  -0.645   3.047
  183   1HG2  VAL  29          2HG1      VAL  29   3.788   3.111   3.224
  184   2HG2  VAL  29          1HG1      VAL  29   5.151   3.446   2.146
  185   3HG2  VAL  29          3HG1      VAL  29   3.762   2.502   1.561
  186    H    LYS  30           HN       LYS  30   8.035   1.306   3.637
  187    HA   LYS  30           HA       LYS  30   8.944  -1.168   3.736
  188   1HB   LYS  30          1HB       LYS  30  10.293   0.697   3.270
  189   2HB   LYS  30          2HB       LYS  30  10.125   1.350   4.896
  190   1HG   LYS  30          2HG       LYS  30  11.244  -1.407   4.832
  191   2HG   LYS  30          1HG       LYS  30  12.225  -0.276   3.925
  192   1HD   LYS  30          1HD       LYS  30  12.642   1.131   5.765
  193   2HD   LYS  30          2HD       LYS  30  11.354   0.433   6.753
  194   1HE   LYS  30          2HE       LYS  30  13.783  -1.165   5.837
  195   2HE   LYS  30          1HE       LYS  30  13.685  -0.303   7.388
  196   1HZ   LYS  30          1HZ       LYS  30  11.728  -1.632   7.891
  197   2HZ   LYS  30          2HZ       LYS  30  11.935  -2.490   6.497
  198   3HZ   LYS  30          3HZ       LYS  30  13.079  -2.553   7.665
  199    H    GLY  31           H        GLY  31   8.122  -2.697   5.137
  200   1HA   GLY  31          1HA       GLY  31   7.391  -3.753   6.969
  201   2HA   GLY  31          2HA       GLY  31   9.022  -3.381   7.479
  202    H    GLN  32           H        GLN  32   6.060  -1.328   7.203
  203    HA   GLN  32           HA       GLN  32   6.244  -0.186   9.797
  204   1HB   GLN  32          1HB       GLN  32   3.487  -0.925   8.712
  205   2HB   GLN  32          2HB       GLN  32   3.949   0.367   9.814
  206   1HG   GLN  32          2HG       GLN  32   5.315   1.300   7.883
  207   2HG   GLN  32          1HG       GLN  32   4.437   0.146   6.855
  208   1HE2  GLN  32          1HE2      GLN  32   2.664   3.508   6.829
  209   2HE2  GLN  32          2HE2      GLN  32   4.397   3.180   6.850
  210    H    GLY  33           H        GLY  33   4.310  -2.769   8.850
  211   1HA   GLY  33          2HA       GLY  33   5.124  -4.936  10.447
  212   2HA   GLY  33          1HA       GLY  33   3.842  -4.125  11.370
  213    H    ALA  34           H        ALA  34   3.833  -6.835   9.803
  214    HA   ALA  34           HA       ALA  34   2.408  -6.448   7.385
  215   1HB   ALA  34          2HB       ALA  34   3.549  -8.597   8.000
  216   2HB   ALA  34          1HB       ALA  34   2.231  -8.924   9.147
  217   3HB   ALA  34          3HB       ALA  34   1.897  -8.792   7.408
  218    H    GLU  35           HN       GLU  35   1.051  -6.859  10.720
  219    HA   GLU  35           HA       GLU  35  -1.627  -7.091   9.875
  220   1HB   GLU  35          1HB       GLU  35  -0.415  -5.954  12.459
  221   2HB   GLU  35          2HB       GLU  35  -2.031  -6.582  12.195
  222   1HG   GLU  35          2HG       GLU  35   0.552  -8.184  12.199
  223   2HG   GLU  35          1HG       GLU  35  -0.775  -8.267  13.352
  224    H    GLU  36           HN       GLU  36   0.360  -4.352  10.966
  225    HA   GLU  36           HA       GLU  36  -1.407  -2.193  10.794
  226   1HB   GLU  36          1HB       GLU  36   1.596  -2.461  10.198
  227   2HB   GLU  36          2HB       GLU  36   0.765  -0.934  10.170
  228   1HG   GLU  36          1HG       GLU  36   1.943  -1.290  12.242
  229   2HG   GLU  36          2HG       GLU  36   0.188  -1.151  12.507
  230    H    LEU  37           H        LEU  37   0.924  -3.381   8.333
  231    HA   LEU  37           HA       LEU  37   0.198  -1.811   6.192
  232   1HB   LEU  37          2HB       LEU  37   1.440  -4.542   6.679
  233   2HB   LEU  37          1HB       LEU  37   1.190  -3.999   5.085
  234    HG   LEU  37           HG       LEU  37   2.791  -2.387   7.101
  235   1HD1  LEU  37          2HD2      LEU  37   3.889  -4.568   6.654
  236   2HD1  LEU  37          1HD2      LEU  37   3.776  -4.264   4.909
  237   3HD1  LEU  37          3HD2      LEU  37   4.798  -3.234   5.931
  238   1HD2  LEU  37          2HD1      LEU  37   2.543  -2.181   4.074
  239   2HD2  LEU  37          1HD1      LEU  37   1.981  -0.985   5.270
  240   3HD2  LEU  37          3HD1      LEU  37   3.701  -1.299   5.090
  241    H    TYR  38           HN       TYR  38  -0.732  -5.299   6.555
  242    HA   TYR  38           HA       TYR  38  -2.563  -5.504   4.588
  243   1HB   TYR  38          2HB       TYR  38  -1.958  -7.402   5.917
  244   2HB   TYR  38          1HB       TYR  38  -2.671  -6.685   7.362
  245    HD1  TYR  38           HE2      TYR  38  -3.902  -7.254   3.821
  246    HD2  TYR  38           HD1      TYR  38  -4.606  -7.808   8.043
  247    HE1  TYR  38           HE1      TYR  38  -6.178  -8.105   3.338
  248    HE2  TYR  38           HD2      TYR  38  -6.841  -8.732   7.546
  249    HH   TYR  38           HH       TYR  38  -8.360  -9.296   5.898
  250    H    LYS  39           HN       LYS  39  -3.417  -4.419   7.882
  251    HA   LYS  39           HA       LYS  39  -6.159  -3.921   7.265
  252   1HB   LYS  39          1HB       LYS  39  -4.275  -2.744   9.363
  253   2HB   LYS  39          2HB       LYS  39  -5.980  -2.349   9.300
  254   1HG   LYS  39          2HG       LYS  39  -4.758  -5.116   9.752
  255   2HG   LYS  39          1HG       LYS  39  -5.538  -4.100  10.960
  256   1HD   LYS  39          1HD       LYS  39  -6.850  -5.546   8.615
  257   2HD   LYS  39          2HD       LYS  39  -7.033  -5.869  10.337
  258   1HE   LYS  39          1HE       LYS  39  -8.088  -3.608  10.637
  259   2HE   LYS  39          2HE       LYS  39  -8.008  -3.364   8.880
  260   1HZ   LYS  39          1HZ       LYS  39  -9.463  -5.517  10.231
  261   2HZ   LYS  39          3HZ       LYS  39 -10.124  -4.171   9.551
  262   3HZ   LYS  39          2HZ       LYS  39  -9.374  -5.289   8.601
  263    H    LYS  40           HN       LYS  40  -3.320  -1.659   7.061
  264    HA   LYS  40           HA       LYS  40  -4.975   0.546   6.287
  265   1HB   LYS  40          1HB       LYS  40  -1.991  -0.100   6.284
  266   2HB   LYS  40          2HB       LYS  40  -2.672   1.436   5.789
  267   1HG   LYS  40          2HG       LYS  40  -3.760   1.741   7.976
  268   2HG   LYS  40          1HG       LYS  40  -3.206   0.160   8.514
  269   1HD   LYS  40          2HD       LYS  40  -0.826   0.914   8.211
  270   2HD   LYS  40          1HD       LYS  40  -1.437   2.536   7.837
  271   1HE   LYS  40          2HE       LYS  40  -1.869   1.032  10.455
  272   2HE   LYS  40          1HE       LYS  40  -0.714   2.348  10.181
  273   1HZ   LYS  40          3HZ       LYS  40  -2.587   3.766   9.632
  274   2HZ   LYS  40          1HZ       LYS  40  -3.635   2.552  10.002
  275   3HZ   LYS  40          2HZ       LYS  40  -2.673   3.189  11.178
  276    H    MET  41           H        MET  41  -2.977  -1.821   4.251
  277    HA   MET  41           HA       MET  41  -3.752  -0.442   1.851
  278   1HB   MET  41          1HB       MET  41  -3.422  -2.790   0.751
  279   2HB   MET  41          2HB       MET  41  -2.116  -1.726   1.217
  280   1HG   MET  41          2HG       MET  41  -2.839  -3.785   3.208
  281   2HG   MET  41          1HG       MET  41  -2.080  -4.408   1.745
  282   1HE   MET  41          2HE       MET  41   0.319  -3.895   0.878
  283   2HE   MET  41          3HE       MET  41   0.015  -2.141   0.829
  284   3HE   MET  41          1HE       MET  41   1.425  -2.776   1.695
  285    H    LYS  42           HN       LYS  42  -5.354  -3.050   3.756
  286    HA   LYS  42           HA       LYS  42  -7.578  -3.354   2.002
  287   1HB   LYS  42          1HB       LYS  42  -6.917  -4.764   4.057
  288   2HB   LYS  42          2HB       LYS  42  -7.678  -3.513   5.046
  289   1HG   LYS  42          2HG       LYS  42  -9.825  -3.895   3.775
  290   2HG   LYS  42          1HG       LYS  42  -9.002  -5.160   2.852
  291   1HD   LYS  42          2HD       LYS  42  -8.438  -6.222   5.174
  292   2HD   LYS  42          1HD       LYS  42  -9.632  -5.092   5.827
  293   1HE   LYS  42          1HE       LYS  42 -10.767  -7.174   5.436
  294   2HE   LYS  42          2HE       LYS  42 -11.313  -6.068   4.163
  295   1HZ   LYS  42          1HZ       LYS  42  -9.218  -8.127   3.908
  296   2HZ   LYS  42          3HZ       LYS  42 -10.754  -8.239   3.322
  297   3HZ   LYS  42          2HZ       LYS  42  -9.717  -7.125   2.696
  298    H    GLY  43           H        GLY  43  -6.886  -1.160   4.672
  299   1HA   GLY  43          1HA       GLY  43  -8.969   0.519   5.201
  300   2HA   GLY  43          2HA       GLY  43  -7.306   0.917   5.012
  301    H    TYR  44           H        TYR  44  -6.412   1.109   2.867
  302    HA   TYR  44           HA       TYR  44  -7.573   3.334   1.556
  303   1HB   TYR  44          2HB       TYR  44  -5.263   1.435   0.985
  304   2HB   TYR  44          1HB       TYR  44  -5.689   2.722  -0.116
  305    HD1  TYR  44           HD2      TYR  44  -6.226   5.071   1.549
  306    HD2  TYR  44           HD1      TYR  44  -3.157   2.059   1.917
  307    HE1  TYR  44           HE2      TYR  44  -4.913   6.585   2.971
  308    HE2  TYR  44           HE1      TYR  44  -1.752   3.693   3.152
  309    HH   TYR  44           HH       TYR  44  -1.849   5.607   4.521
  310    H    ALA  45           H        ALA  45  -7.143  -0.061   0.455
  311    HA   ALA  45           HA       ALA  45  -8.487   0.113  -1.994
  312   1HB   ALA  45          2HB       ALA  45  -7.299  -1.926  -1.199
  313   2HB   ALA  45          3HB       ALA  45  -8.571  -2.195   0.005
  314   3HB   ALA  45          1HB       ALA  45  -8.949  -2.301  -1.722
  315    H    ASP  46           HN       ASP  46  -9.910  -0.339   1.260
  316    HA   ASP  46           HA       ASP  46 -12.621  -0.573   0.289
  317   1HB   ASP  46          1HB       ASP  46 -11.808  -1.597   2.373
  318   2HB   ASP  46          2HB       ASP  46 -11.479   0.006   3.047
  319    H    GLY  47           H        GLY  47 -10.543   2.144   0.540
  320   1HA   GLY  47          2HA       GLY  47 -10.887   4.367   0.312
  321   2HA   GLY  47          1HA       GLY  47 -12.538   4.006  -0.219
  322    H    SER  48           H        SER  48 -11.310   2.991   2.949
  323    HA   SER  48           HA       SER  48 -13.143   4.939   4.308
  324   1HB   SER  48          1HB       SER  48 -13.010   3.187   6.138
  325   2HB   SER  48          2HB       SER  48 -13.830   2.692   4.643
  326    HG   SER  48           HG       SER  48 -12.484   1.084   4.795
  327    H    TYR  49           H        TYR  49 -10.030   3.224   4.580
  328    HA   TYR  49           HA       TYR  49  -9.012   4.957   6.680
  329   1HB   TYR  49          2HB       TYR  49  -8.265   2.528   6.316
  330   2HB   TYR  49          1HB       TYR  49  -7.619   3.107   4.773
  331    HD1  TYR  49           HD2      TYR  49  -7.362   4.277   8.332
  332    HD2  TYR  49           HD1      TYR  49  -5.358   3.079   4.707
  333    HE1  TYR  49           HE2      TYR  49  -5.231   5.029   9.262
  334    HE2  TYR  49           HE1      TYR  49  -3.234   3.741   5.636
  335    HH   TYR  49           HH       TYR  49  -2.176   4.988   7.382
  336    H    GLY  50           H        GLY  50  -9.717   6.959   5.168
  337   1HA   GLY  50          1HA       GLY  50  -7.533   8.502   4.558
  338   2HA   GLY  50          2HA       GLY  50  -7.759   7.555   3.072
  339    H    GLY  51           H        GLY  51  -8.002   9.733   2.175
  340   1HA   GLY  51          2HA       GLY  51 -10.581  10.277   1.314
  341   2HA   GLY  51          1HA       GLY  51 -10.218  11.414   2.643
  342    H    GLU  52           HN       GLU  52 -10.408  12.788   0.490
  343    HA   GLU  52           HA       GLU  52  -9.505  13.762  -1.382
  344   1HB   GLU  52          1HB       GLU  52  -7.777  15.408  -0.576
  345   2HB   GLU  52          2HB       GLU  52  -9.293  15.373   0.300
  346   1HG   GLU  52          2HG       GLU  52  -8.399  14.572   2.250
  347   2HG   GLU  52          1HG       GLU  52  -7.121  13.649   1.466
  348    H    ARG  53           HN       ARG  53  -6.280  13.919  -0.360
  349    HA   ARG  53           HA       ARG  53  -5.192  13.184  -2.772
  350   1HB   ARG  53          2HB       ARG  53  -3.095  13.310  -1.762
  351   2HB   ARG  53          1HB       ARG  53  -4.110  14.413  -0.851
  352   1HG   ARG  53          1HG       ARG  53  -4.317  12.614   0.955
  353   2HG   ARG  53          2HG       ARG  53  -3.197  11.615   0.009
  354   1HD   ARG  53          2HD       ARG  53  -1.496  13.336   0.066
  355   2HD   ARG  53          1HD       ARG  53  -2.542  14.408   1.023
  356    HE   ARG  53           HE       ARG  53  -2.563  12.377   2.670
  357   1HH1  ARG  53          1HH1      ARG  53   0.294  13.672   0.925
  358   2HH1  ARG  53          2HH1      ARG  53   1.397  12.968   2.086
  359   1HH2  ARG  53          1HH2      ARG  53  -1.001  11.650   4.228
  360   2HH2  ARG  53          2HH2      ARG  53   0.702  11.915   3.886
  361    H    LYS  54           HN       LYS  54  -6.104  10.985  -0.167
  362    HA   LYS  54           HA       LYS  54  -4.440   8.782  -0.978
  363   1HB   LYS  54          1HB       LYS  54  -7.063   8.679   0.537
  364   2HB   LYS  54          2HB       LYS  54  -5.775   7.477   0.545
  365   1HG   LYS  54          1HG       LYS  54  -5.564  10.312   1.700
  366   2HG   LYS  54          2HG       LYS  54  -5.824   8.816   2.570
  367   1HD   LYS  54          1HD       LYS  54  -3.564   8.003   1.708
  368   2HD   LYS  54          2HD       LYS  54  -3.353   9.573   0.945
  369   1HE   LYS  54          2HE       LYS  54  -2.176   9.704   2.993
  370   2HE   LYS  54          1HE       LYS  54  -3.660  10.631   3.254
  371   1HZ   LYS  54          2HZ       LYS  54  -3.192   7.850   4.103
  372   2HZ   LYS  54          3HZ       LYS  54  -3.155   9.172   5.080
  373   3HZ   LYS  54          1HZ       LYS  54  -4.569   8.713   4.372
  374    H    ALA  55           H        ALA  55  -7.508  10.015  -2.111
  375    HA   ALA  55           HA       ALA  55  -8.865   7.920  -3.170
  376   1HB   ALA  55          3HB       ALA  55  -9.564  10.244  -3.431
  377   2HB   ALA  55          1HB       ALA  55  -8.276  10.526  -4.624
  378   3HB   ALA  55          2HB       ALA  55  -9.607   9.408  -4.995
  379    H    MET  56           H        MET  56  -6.002   9.339  -4.817
  380    HA   MET  56           HA       MET  56  -6.067   7.718  -7.144
  381   1HB   MET  56          2HB       MET  56  -4.683   9.714  -6.965
  382   2HB   MET  56          1HB       MET  56  -3.759   9.022  -5.623
  383   1HG   MET  56          2HG       MET  56  -2.513   8.949  -7.730
  384   2HG   MET  56          1HG       MET  56  -2.792   7.330  -7.096
  385   1HE   MET  56          2HE       MET  56  -1.701   7.785  -9.966
  386   2HE   MET  56          1HE       MET  56  -2.104   6.180  -9.302
  387   3HE   MET  56          3HE       MET  56  -2.710   6.660 -10.905
  388    H    MET  57           H        MET  57  -4.337   7.284  -4.052
  389    HA   MET  57           HA       MET  57  -3.119   4.777  -4.671
  390   1HB   MET  57          2HB       MET  57  -2.237   6.088  -2.901
  391   2HB   MET  57          1HB       MET  57  -3.796   6.171  -2.067
  392   1HG   MET  57          2HG       MET  57  -3.750   3.840  -1.500
  393   2HG   MET  57          1HG       MET  57  -2.357   3.537  -2.551
  394   1HE   MET  57          3HE       MET  57  -3.444   6.025   0.280
  395   2HE   MET  57          1HE       MET  57  -1.916   6.256   1.167
  396   3HE   MET  57          2HE       MET  57  -2.106   6.917  -0.468
  397    H    THR  58           H        THR  58  -6.175   5.652  -2.955
  398    HA   THR  58           HA       THR  58  -7.104   3.133  -2.282
  399    HB   THR  58           HB       THR  58  -8.511   5.669  -3.110
  400    HG1  THR  58           HG1      THR  58  -8.557   4.176  -0.728
  401   1HG2  THR  58          2HG2      THR  58  -9.898   3.045  -2.458
  402   2HG2  THR  58          3HG2      THR  58 -10.646   4.649  -2.306
  403   3HG2  THR  58          1HG2      THR  58 -10.114   4.072  -3.886
  404    H    ASN  59           H        ASN  59  -7.677   4.778  -5.506
  405    HA   ASN  59           HA       ASN  59  -8.899   2.382  -6.508
  406   1HB   ASN  59          1HB       ASN  59  -9.078   4.708  -7.509
  407   2HB   ASN  59          2HB       ASN  59  -7.530   4.389  -8.298
  408   1HD2  ASN  59          1HD2      ASN  59  -9.667   1.451  -9.870
  409   2HD2  ASN  59          2HD2      ASN  59  -8.546   1.243  -8.542
  410    H    ALA  60           H        ALA  60  -5.481   3.517  -6.497
  411    HA   ALA  60           HA       ALA  60  -4.475   1.618  -8.347
  412   1HB   ALA  60          1HB       ALA  60  -3.193   3.567  -7.466
  413   2HB   ALA  60          3HB       ALA  60  -3.011   2.717  -5.914
  414   3HB   ALA  60          2HB       ALA  60  -2.301   2.035  -7.384
  415    H    VAL  61           H        VAL  61  -4.902   1.376  -4.798
  416    HA   VAL  61           HA       VAL  61  -4.017  -1.413  -4.813
  417    HB   VAL  61           HB       VAL  61  -3.373   0.203  -3.063
  418   1HG1  VAL  61          2HG1      VAL  61  -5.572   1.353  -2.745
  419   2HG1  VAL  61          1HG1      VAL  61  -6.217  -0.135  -2.070
  420   3HG1  VAL  61          3HG1      VAL  61  -4.898   0.716  -1.243
  421   1HG2  VAL  61          2HG2      VAL  61  -3.268  -2.261  -2.744
  422   2HG2  VAL  61          3HG2      VAL  61  -3.513  -1.361  -1.235
  423   3HG2  VAL  61          1HG2      VAL  61  -4.872  -2.216  -1.986
  424    H    LYS  62           HN       LYS  62  -7.127   0.243  -4.964
  425    HA   LYS  62           HA       LYS  62  -8.955  -1.555  -4.029
  426   1HB   LYS  62          1HB       LYS  62  -9.529   0.589  -5.143
  427   2HB   LYS  62          2HB       LYS  62  -9.028  -0.098  -6.693
  428   1HG   LYS  62          1HG       LYS  62 -11.332  -0.131  -6.777
  429   2HG   LYS  62          2HG       LYS  62 -10.889  -1.795  -6.465
  430   1HD   LYS  62          2HD       LYS  62 -12.693  -1.416  -5.019
  431   2HD   LYS  62          1HD       LYS  62 -11.302  -1.247  -3.942
  432   1HE   LYS  62          1HE       LYS  62 -11.455   1.249  -4.188
  433   2HE   LYS  62          2HE       LYS  62 -12.828   1.045  -5.295
  434   1HZ   LYS  62          3HZ       LYS  62 -14.002  -0.011  -3.473
  435   2HZ   LYS  62          2HZ       LYS  62 -12.708   0.259  -2.480
  436   3HZ   LYS  62          1HZ       LYS  62 -13.549   1.532  -3.100
  437    H    LYS  63           HN       LYS  63  -6.989  -1.904  -6.957
  438    HA   LYS  63           HA       LYS  63  -8.338  -3.912  -8.263
  439   1HB   LYS  63          2HB       LYS  63  -5.390  -3.251  -8.032
  440   2HB   LYS  63          1HB       LYS  63  -5.923  -4.662  -8.944
  441   1HG   LYS  63          2HG       LYS  63  -5.609  -2.865 -10.445
  442   2HG   LYS  63          1HG       LYS  63  -7.322  -3.297 -10.410
  443   1HD   LYS  63          2HD       LYS  63  -7.863  -1.338  -9.061
  444   2HD   LYS  63          1HD       LYS  63  -6.145  -0.968  -8.827
  445   1HE   LYS  63          1HE       LYS  63  -7.590  -0.928 -11.517
  446   2HE   LYS  63          2HE       LYS  63  -7.238   0.493 -10.518
  447   1HZ   LYS  63          1HZ       LYS  63  -4.913  -0.008 -10.713
  448   2HZ   LYS  63          3HZ       LYS  63  -5.235  -1.279 -11.710
  449   3HZ   LYS  63          2HZ       LYS  63  -5.608   0.251 -12.185
  450    H    ALA  64           H        ALA  64  -6.339  -4.112  -5.333
  451    HA   ALA  64           HA       ALA  64  -5.821  -6.943  -5.356
  452   1HB   ALA  64          1HB       ALA  64  -4.393  -5.182  -4.265
  453   2HB   ALA  64          3HB       ALA  64  -5.687  -4.920  -3.092
  454   3HB   ALA  64          2HB       ALA  64  -4.858  -6.488  -3.159
  455    H    SER  65           H        SER  65  -7.126  -8.547  -4.616
  456    HA   SER  65           HA       SER  65  -9.803  -7.992  -3.673
  457   1HB   SER  65          1HB       SER  65  -9.877 -10.528  -3.702
  458   2HB   SER  65          2HB       SER  65  -9.446  -9.752  -5.239
  459    HG   SER  65           HG       SER  65  -7.980 -11.415  -4.823
  460    H    ASP  66           HN       ASP  66  -7.615 -10.353  -2.379
  461    HA   ASP  66           HA       ASP  66  -7.728  -9.333   0.409
  462   1HB   ASP  66          2HB       ASP  66  -9.820 -10.568   0.266
  463   2HB   ASP  66          1HB       ASP  66  -8.997 -11.989  -0.391
  464    H    GLU  67           HN       GLU  67  -7.037 -12.391  -1.337
  465    HA   GLU  67           HA       GLU  67  -4.724 -13.181   0.018
  466   1HB   GLU  67          2HB       GLU  67  -5.863 -14.564  -1.682
  467   2HB   GLU  67          1HB       GLU  67  -5.433 -13.406  -2.952
  468   1HG   GLU  67          1HG       GLU  67  -3.005 -13.924  -2.570
  469   2HG   GLU  67          2HG       GLU  67  -3.485 -15.115  -1.352
  470    H    GLU  68           HN       GLU  68  -5.117 -11.012  -2.754
  471    HA   GLU  68           HA       GLU  68  -2.485 -10.355  -3.298
  472   1HB   GLU  68          2HB       GLU  68  -5.145  -8.838  -3.525
  473   2HB   GLU  68          1HB       GLU  68  -3.628  -8.445  -4.295
  474   1HG   GLU  68          2HG       GLU  68  -5.381 -10.859  -4.831
  475   2HG   GLU  68          1HG       GLU  68  -5.030  -9.536  -5.937
  476    H    LEU  69           H        LEU  69  -4.916  -8.572  -1.196
  477    HA   LEU  69           HA       LEU  69  -3.253  -6.465  -0.468
  478   1HB   LEU  69          2HB       LEU  69  -5.577  -7.966   0.831
  479   2HB   LEU  69          1HB       LEU  69  -4.842  -6.560   1.526
  480    HG   LEU  69           HG       LEU  69  -6.177  -6.577  -1.199
  481   1HD1  LEU  69          2HD2      LEU  69  -7.162  -5.625   1.514
  482   2HD1  LEU  69          1HD2      LEU  69  -8.023  -5.411  -0.030
  483   3HD1  LEU  69          3HD2      LEU  69  -7.773  -7.033   0.636
  484   1HD2  LEU  69          3HD1      LEU  69  -5.228  -4.309   0.626
  485   2HD2  LEU  69          1HD1      LEU  69  -4.517  -4.718  -0.949
  486   3HD2  LEU  69          2HD1      LEU  69  -6.167  -4.089  -0.860
  487    H    LYS  70           HN       LYS  70  -3.820  -9.660   1.094
  488    HA   LYS  70           HA       LYS  70  -2.133  -9.185   3.344
  489   1HB   LYS  70          1HB       LYS  70  -2.966 -11.754   1.927
  490   2HB   LYS  70          2HB       LYS  70  -2.110 -11.713   3.479
  491   1HG   LYS  70          1HG       LYS  70  -3.917 -10.537   4.558
  492   2HG   LYS  70          2HG       LYS  70  -4.751 -10.263   3.018
  493   1HD   LYS  70          1HD       LYS  70  -5.136 -12.653   2.721
  494   2HD   LYS  70          2HD       LYS  70  -4.282 -13.010   4.242
  495   1HE   LYS  70          2HE       LYS  70  -5.943 -11.726   5.517
  496   2HE   LYS  70          1HE       LYS  70  -6.731 -11.196   4.019
  497   1HZ   LYS  70          3HZ       LYS  70  -6.564 -13.987   4.907
  498   2HZ   LYS  70          1HZ       LYS  70  -7.882 -13.006   5.058
  499   3HZ   LYS  70          2HZ       LYS  70  -7.336 -13.415   3.560
  500    H    ALA  71           H        ALA  71  -1.452 -10.640   0.132
  501    HA   ALA  71           HA       ALA  71   1.311 -11.090   0.720
  502   1HB   ALA  71          2HB       ALA  71  -0.164 -10.769  -1.924
  503   2HB   ALA  71          3HB       ALA  71   1.491 -11.423  -1.730
  504   3HB   ALA  71          1HB       ALA  71   0.098 -12.285  -1.042
  505    H    LEU  72           H        LEU  72  -0.422  -8.229  -0.589
  506    HA   LEU  72           HA       LEU  72   1.830  -6.802  -1.511
  507   1HB   LEU  72          1HB       LEU  72  -0.784  -6.526  -1.680
  508   2HB   LEU  72          2HB       LEU  72  -0.665  -5.583  -0.229
  509    HG   LEU  72           HG       LEU  72   0.644  -3.880  -1.409
  510   1HD1  LEU  72          2HD1      LEU  72   0.635  -5.852  -3.710
  511   2HD1  LEU  72          3HD1      LEU  72   1.001  -4.126  -3.908
  512   3HD1  LEU  72          1HD1      LEU  72   2.055  -5.133  -2.915
  513   1HD2  LEU  72          3HD2      LEU  72  -1.774  -4.980  -2.942
  514   2HD2  LEU  72          2HD2      LEU  72  -1.798  -3.819  -1.603
  515   3HD2  LEU  72          1HD2      LEU  72  -1.127  -3.367  -3.186
  516    H    ALA  73           H        ALA  73   0.060  -6.854   1.550
  517    HA   ALA  73           HA       ALA  73   1.790  -5.203   3.081
  518   1HB   ALA  73          2HB       ALA  73  -0.405  -5.952   3.880
  519   2HB   ALA  73          1HB       ALA  73   0.161  -7.620   4.009
  520   3HB   ALA  73          3HB       ALA  73   0.863  -6.379   5.052
  521    H    ASP  74           HN       ASP  74   1.771  -8.824   3.018
  522    HA   ASP  74           HA       ASP  74   3.997  -9.386   4.424
  523   1HB   ASP  74          1HB       ASP  74   2.530 -11.086   3.423
  524   2HB   ASP  74          2HB       ASP  74   3.244 -10.760   1.829
  525    H    TYR  75           H        TYR  75   4.110  -8.620   0.882
  526    HA   TYR  75           HA       TYR  75   6.834  -8.909   0.452
  527   1HB   TYR  75          2HB       TYR  75   5.372  -8.416  -1.375
  528   2HB   TYR  75          1HB       TYR  75   4.849  -6.901  -0.650
  529    HD1  TYR  75           HD2      TYR  75   8.088  -8.532  -1.729
  530    HD2  TYR  75           HD1      TYR  75   5.721  -4.934  -1.573
  531    HE1  TYR  75           HE2      TYR  75   9.936  -7.258  -2.783
  532    HE2  TYR  75           HE1      TYR  75   7.637  -3.636  -2.448
  533    HH   TYR  75           HH       TYR  75   9.812  -3.721  -3.315
  534    H    MET  76           H        MET  76   5.229  -5.873   1.577
  535    HA   MET  76           HA       MET  76   7.807  -4.575   2.057
  536   1HB   MET  76          1HB       MET  76   4.913  -3.827   2.417
  537   2HB   MET  76          2HB       MET  76   6.189  -2.860   3.168
  538   1HG   MET  76          1HG       MET  76   7.290  -2.425   1.109
  539   2HG   MET  76          2HG       MET  76   6.367  -3.652   0.248
  540   1HE   MET  76          3HE       MET  76   3.435  -3.220   0.836
  541   2HE   MET  76          1HE       MET  76   2.966  -2.031  -0.402
  542   3HE   MET  76          2HE       MET  76   4.070  -3.365  -0.811
  543    H    SER  77           H        SER  77   5.707  -6.623   4.026
  544    HA   SER  77           HA       SER  77   6.467  -5.700   6.571
  545   1HB   SER  77          2HB       SER  77   5.780  -8.518   5.666
  546   2HB   SER  77          1HB       SER  77   5.723  -7.851   7.284
  547    HG   SER  77           HG       SER  77   4.254  -6.688   5.174
  548    H    LYS  78           HN       LYS  78   8.204  -7.692   4.217
  549    HA   LYS  78           HA       LYS  78  10.296  -8.402   6.260
  550   1HB   LYS  78          2HB       LYS  78   8.907 -10.291   5.231
  551   2HB   LYS  78          1HB       LYS  78   9.566  -9.798   3.672
  552   1HG   LYS  78          2HG       LYS  78  11.920 -10.157   4.826
  553   2HG   LYS  78          1HG       LYS  78  11.008 -10.924   6.116
  554   1HD   LYS  78          2HD       LYS  78  11.910 -12.570   4.524
  555   2HD   LYS  78          1HD       LYS  78  10.144 -12.624   4.568
  556   1HE   LYS  78          1HE       LYS  78  11.212 -12.788   2.261
  557   2HE   LYS  78          2HE       LYS  78   9.954 -11.566   2.419
  558   1HZ   LYS  78          3HZ       LYS  78  12.846 -11.053   2.542
  559   2HZ   LYS  78          2HZ       LYS  78  11.857 -10.731   1.262
  560   3HZ   LYS  78          1HZ       LYS  78  11.667  -9.909   2.676
  561    H    LEU  79           H        LEU  79  10.394  -5.789   5.318
  562    HA   LEU  79           HA       LEU  79  12.518  -5.658   3.403
  563   1HB   LEU  79          1HB       LEU  79   9.659  -5.514   2.894
  564   2HB   LEU  79          2HB       LEU  79  10.177  -3.856   3.071
  565    HG   LEU  79           HG       LEU  79  11.926  -4.248   1.555
  566   1HD1  LEU  79          1HD1      LEU  79  10.691  -6.987   1.021
  567   2HD1  LEU  79          3HD1      LEU  79  11.803  -6.213  -0.122
  568   3HD1  LEU  79          2HD1      LEU  79  12.372  -6.651   1.484
  569   1HD2  LEU  79          3HD2      LEU  79   9.660  -3.383   0.784
  570   2HD2  LEU  79          2HD2      LEU  79  10.525  -4.205  -0.535
  571   3HD2  LEU  79          1HD2      LEU  79   9.227  -5.042   0.328
  572    HHA  HEC   1           HHA      HEM   1   1.755   5.217   3.399
  573    HHB  HEC   1           HHB      HEM   1   0.001  -0.066   0.319
  574    HHC  HEC   1           HHC      HEM   1   0.293   3.220  -5.174
  575    HHD  HEC   1           HHD      HEM   1   0.572   8.649  -1.815
  576   1HMA  HEC   1          1HMA      HEM   1   0.204   0.192   4.114
  577   2HMA  HEC   1          2HMA      HEM   1   1.047  -0.550   2.736
  578   3HMA  HEC   1          3HMA      HEM   1  -0.702  -0.196   2.650
  579   1HAA  HEC   1          1HAA      HEM   1   1.936   1.790   4.833
  580   2HAA  HEC   1          2HAA      HEM   1   2.028   3.529   4.757
  581   1HBA  HEC   1          1HBA      HEM   1  -0.750   2.495   4.958
  582   2HBA  HEC   1          2HBA      HEM   1   0.287   1.957   6.278
  583   1HMB  HEC   1          1HMB      HEM   1   0.831  -1.418  -1.376
  584   2HMB  HEC   1          2HMB      HEM   1  -0.907  -1.444  -1.772
  585   3HMB  HEC   1          3HMB      HEM   1   0.332  -1.703  -3.030
  586    HAB  HEC   1           HAB      HEM   1   0.219   1.196  -5.705
  587   1HBB  HEC   1          1HBB      HEM   1  -1.952   0.192  -5.247
  588   2HBB  HEC   1          2HBB      HEM   1  -0.952  -0.819  -6.311
  589   3HBB  HEC   1          3HBB      HEM   1  -1.170  -1.264  -4.612
  590   1HMC  HEC   1          1HMC      HEM   1  -0.499   5.143  -6.503
  591   2HMC  HEC   1          2HMC      HEM   1   0.453   6.605  -6.781
  592   3HMC  HEC   1          3HMC      HEM   1   1.277   5.054  -6.575
  593    HAC  HEC   1           HAC      HEM   1   1.581   8.942  -3.813
  594   1HBC  HEC   1          1HBC      HEM   1  -0.798   9.218  -4.500
  595   2HBC  HEC   1          2HBC      HEM   1  -0.383   8.596  -6.104
  596   3HBC  HEC   1          3HBC      HEM   1   0.341  10.110  -5.545
  597   1HMD  HEC   1          1HMD      HEM   1   1.123  10.146   0.416
  598   2HMD  HEC   1          2HMD      HEM   1  -0.083  10.044   1.705
  599   3HMD  HEC   1          3HMD      HEM   1  -0.581   9.782   0.036
  600   1HAD  HEC   1          1HAD      HEM   1  -0.710   7.949   3.589
  601   2HAD  HEC   1          2HAD      HEM   1   0.738   8.961   3.523
  602   1HBD  HEC   1          1HBD      HEM   1   2.000   7.050   4.634
  603   2HBD  HEC   1          2HBD      HEM   1   0.470   6.186   4.725
   
  No H/Q in entry =         603
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1  -1.087 -13.428  -5.078
    2   2H    ALA   1          2H        ALA   1  -1.746 -12.873  -6.488
    3   3H    ALA   1          1H        ALA   1  -1.361 -14.474  -6.329
    4    HA   ALA   1           HA       ALA   1   0.696 -14.158  -6.980
    5   1HB   ALA   1          3HB       ALA   1  -0.363 -12.393  -8.430
    6   2HB   ALA   1          1HB       ALA   1   0.075 -11.183  -7.204
    7   3HB   ALA   1          2HB       ALA   1   1.337 -12.090  -8.049
    8    H    ASP   2           HN       ASP   2   2.775 -12.431  -6.437
    9    HA   ASP   2           HA       ASP   2   3.015 -12.920  -3.557
   10   1HB   ASP   2          1HB       ASP   2   5.385 -12.850  -3.972
   11   2HB   ASP   2          2HB       ASP   2   4.670 -13.790  -5.283
   12    H    GLY   3           H        GLY   3   1.614 -10.439  -4.594
   13   1HA   GLY   3          2HA       GLY   3   1.397  -8.280  -3.798
   14   2HA   GLY   3          1HA       GLY   3   2.741  -8.587  -2.683
   15    H    ALA   4           H        ALA   4   4.879  -9.027  -4.113
   16    HA   ALA   4           HA       ALA   4   5.873  -6.589  -4.978
   17   1HB   ALA   4          1HB       ALA   4   7.265  -8.533  -4.390
   18   2HB   ALA   4          2HB       ALA   4   6.806  -9.323  -5.916
   19   3HB   ALA   4          3HB       ALA   4   7.737  -7.815  -5.943
   20    H    ALA   5           H        ALA   5   4.427  -9.191  -6.966
   21    HA   ALA   5           HA       ALA   5   4.739  -8.205  -9.527
   22   1HB   ALA   5          1HB       ALA   5   2.287  -9.561  -8.326
   23   2HB   ALA   5          3HB       ALA   5   2.633  -9.408 -10.062
   24   3HB   ALA   5          2HB       ALA   5   3.710 -10.363  -9.026
   25    H    LEU   6           H        LEU   6   2.070  -7.192  -7.200
   26    HA   LEU   6           HA       LEU   6   0.795  -5.387  -8.962
   27   1HB   LEU   6          2HB       LEU   6   0.857  -6.005  -5.986
   28   2HB   LEU   6          1HB       LEU   6  -0.087  -4.747  -6.706
   29    HG   LEU   6           HG       LEU   6  -1.331  -6.290  -8.041
   30   1HD1  LEU   6          2HD2      LEU   6   0.366  -8.535  -6.891
   31   2HD1  LEU   6          1HD2      LEU   6  -1.179  -8.750  -7.740
   32   3HD1  LEU   6          3HD2      LEU   6   0.188  -8.081  -8.611
   33   1HD2  LEU   6          3HD1      LEU   6  -1.882  -5.826  -5.604
   34   2HD2  LEU   6          2HD1      LEU   6  -2.509  -7.373  -6.214
   35   3HD2  LEU   6          1HD1      LEU   6  -1.050  -7.335  -5.183
   36    H    TYR   7           H        TYR   7   3.049  -5.249  -6.224
   37    HA   TYR   7           HA       TYR   7   3.182  -2.613  -5.644
   38   1HB   TYR   7          1HB       TYR   7   4.244  -4.503  -4.415
   39   2HB   TYR   7          2HB       TYR   7   5.543  -4.492  -5.618
   40    HD1  TYR   7           HD2      TYR   7   3.836  -2.356  -3.049
   41    HD2  TYR   7           HD1      TYR   7   7.380  -3.019  -5.425
   42    HE1  TYR   7           HE2      TYR   7   4.887  -0.331  -2.066
   43    HE2  TYR   7           HE1      TYR   7   8.423  -1.032  -4.404
   44    HH   TYR   7           HH       TYR   7   8.070   0.843  -3.199
   45    H    LYS   8           HN       LYS   8   4.732  -4.018  -8.566
   46    HA   LYS   8           HA       LYS   8   6.664  -2.246  -9.211
   47   1HB   LYS   8          1HB       LYS   8   4.456  -3.467 -10.932
   48   2HB   LYS   8          2HB       LYS   8   6.020  -2.879 -11.459
   49   1HG   LYS   8          1HG       LYS   8   5.552  -5.322  -9.733
   50   2HG   LYS   8          2HG       LYS   8   6.005  -5.273 -11.425
   51   1HD   LYS   8          1HD       LYS   8   8.188  -4.264 -10.851
   52   2HD   LYS   8          2HD       LYS   8   7.721  -4.179  -9.142
   53   1HE   LYS   8          1HE       LYS   8   9.175  -6.102  -9.529
   54   2HE   LYS   8          2HE       LYS   8   7.573  -6.594  -8.962
   55   1HZ   LYS   8          1HZ       LYS   8   8.479  -6.650 -11.756
   56   2HZ   LYS   8          2HZ       LYS   8   8.353  -7.953 -10.755
   57   3HZ   LYS   8          3HZ       LYS   8   7.000  -7.134 -11.209
   58    H    SER   9           H        SER   9   3.142  -1.723  -9.368
   59    HA   SER   9           HA       SER   9   3.216   0.777 -10.835
   60   1HB   SER   9          2HB       SER   9   0.913   1.008  -9.750
   61   2HB   SER   9          1HB       SER   9   1.139  -0.489 -10.678
   62    HG   SER   9           HG       SER   9   1.318  -1.628  -8.783
   63    H    CYS  10           H        CYS  10   3.104  -0.140  -7.523
   64    HA   CYS  10           HA       CYS  10   2.542   2.223  -6.125
   65   1HB   CYS  10          1HB       CYS  10   2.527  -0.402  -5.710
   66   2HB   CYS  10          2HB       CYS  10   4.098  -0.058  -4.955
   67    H    ILE  11           H        ILE  11   5.523   0.619  -7.101
   68    HA   ILE  11           HA       ILE  11   7.466   1.907  -5.745
   69    HB   ILE  11           HB       ILE  11   7.357   1.272  -8.709
   70   1HG1  ILE  11          1HG1      ILE  11   8.826  -0.057  -6.383
   71   2HG1  ILE  11          2HG1      ILE  11   7.301  -0.627  -7.075
   72   1HG2  ILE  11          3HG2      ILE  11   9.825   2.157  -7.161
   73   2HG2  ILE  11          1HG2      ILE  11   9.828   1.505  -8.811
   74   3HG2  ILE  11          2HG2      ILE  11   9.056   3.037  -8.498
   75   1HD1  ILE  11          2HD1      ILE  11   8.559  -0.860  -9.301
   76   2HD1  ILE  11          1HD1      ILE  11  10.050  -0.648  -8.353
   77   3HD1  ILE  11          3HD1      ILE  11   8.976  -2.003  -8.003
   78    H    GLY  12           H        GLY  12   5.497   3.258  -8.379
   79   1HA   GLY  12          2HA       GLY  12   6.708   5.593  -9.099
   80   2HA   GLY  12          1HA       GLY  12   4.960   5.394  -8.906
   81    H    CYS  13           H        CYS  13   4.973   5.025  -5.975
   82    HA   CYS  13           HA       CYS  13   5.683   7.852  -5.170
   83   1HB   CYS  13          2HB       CYS  13   3.391   6.074  -4.413
   84   2HB   CYS  13          1HB       CYS  13   3.867   7.484  -3.468
   85    H    HIS  14           HN       HIS  14   5.621   4.400  -4.184
   86    HA   HIS  14           HA       HIS  14   6.785   5.126  -1.565
   87   1HB   HIS  14          2HB       HIS  14   5.664   2.597  -2.770
   88   2HB   HIS  14          1HB       HIS  14   6.443   2.657  -1.178
   89    HD1  HIS  14           HD1      HIS  14   5.354   4.331   0.625
   90    HD2  HIS  14           HD2      HIS  14   3.037   3.450  -2.735
   91    HE1  HIS  14           HE1      HIS  14   2.981   4.774   1.267
   92    H    GLY  15           H        GLY  15   8.124   4.310  -4.626
   93   1HA   GLY  15          2HA       GLY  15  10.361   4.224  -5.121
   94   2HA   GLY  15          1HA       GLY  15  10.792   4.081  -3.414
   95    H    ALA  16           H        ALA  16  12.268   2.588  -4.848
   96    HA   ALA  16           HA       ALA  16  11.558   0.197  -5.961
   97   1HB   ALA  16          3HB       ALA  16  13.828   1.090  -5.990
   98   2HB   ALA  16          2HB       ALA  16  14.013   0.772  -4.250
   99   3HB   ALA  16          1HB       ALA  16  13.834  -0.579  -5.390
  100    H    ASP  17           HN       ASP  17  12.389   0.570  -2.471
  101    HA   ASP  17           HA       ASP  17  11.411  -2.173  -1.933
  102   1HB   ASP  17          2HB       ASP  17  12.560  -0.033  -0.077
  103   2HB   ASP  17          1HB       ASP  17  12.049  -1.662   0.408
  104    H    GLY  18           H        GLY  18  10.804   0.697   0.000
  105   1HA   GLY  18          1HA       GLY  18   8.247   1.492  -0.758
  106   2HA   GLY  18          2HA       GLY  18   8.068   0.229   0.476
  107    H    SER  19           H        SER  19  10.748   2.555   0.101
  108    HA   SER  19           HA       SER  19  10.550   3.303   2.929
  109   1HB   SER  19          1HB       SER  19  13.017   3.989   2.153
  110   2HB   SER  19          2HB       SER  19  12.575   2.326   2.555
  111    HG   SER  19           HG       SER  19  13.678   2.591   0.485
  112    H    LYS  20           HN       LYS  20  10.353   4.922  -0.280
  113    HA   LYS  20           HA       LYS  20  11.306   7.420   0.946
  114   1HB   LYS  20          2HB       LYS  20  10.780   8.539  -1.095
  115   2HB   LYS  20          1HB       LYS  20  11.843   7.150  -1.354
  116   1HG   LYS  20          1HG       LYS  20  10.129   5.851  -2.268
  117   2HG   LYS  20          2HG       LYS  20   8.841   6.949  -1.784
  118   1HD   LYS  20          2HD       LYS  20  10.995   7.447  -3.899
  119   2HD   LYS  20          1HD       LYS  20   9.287   7.100  -4.186
  120   1HE   LYS  20          2HE       LYS  20  10.489   9.648  -3.030
  121   2HE   LYS  20          1HE       LYS  20   9.547   9.436  -4.507
  122   1HZ   LYS  20          2HZ       LYS  20   7.675   8.804  -3.088
  123   2HZ   LYS  20          3HZ       LYS  20   8.558   9.183  -1.756
  124   3HZ   LYS  20          1HZ       LYS  20   8.183  10.360  -2.839
  125    H    ALA  21           H        ALA  21  10.131   9.217   1.507
  126    HA   ALA  21           HA       ALA  21   7.483   8.758   2.564
  127   1HB   ALA  21          1HB       ALA  21   9.105  10.256   3.648
  128   2HB   ALA  21          3HB       ALA  21   9.072  11.336   2.233
  129   3HB   ALA  21          2HB       ALA  21   7.610  11.102   3.218
  130    H    ALA  22           H        ALA  22   5.855   8.467   1.156
  131    HA   ALA  22           HA       ALA  22   5.699   9.673  -1.442
  132   1HB   ALA  22          2HB       ALA  22   4.613   7.532  -0.847
  133   2HB   ALA  22          1HB       ALA  22   3.483   8.393   0.215
  134   3HB   ALA  22          3HB       ALA  22   3.465   8.695  -1.526
  135    H    MET  23           H        MET  23   3.382  10.760  -1.873
  136    HA   MET  23           HA       MET  23   3.586  13.406  -1.516
  137   1HB   MET  23          1HB       MET  23   1.004  11.800  -1.630
  138   2HB   MET  23          2HB       MET  23   1.125  13.543  -1.914
  139   1HG   MET  23          1HG       MET  23   2.434  11.373  -3.608
  140   2HG   MET  23          2HG       MET  23   1.010  12.323  -4.001
  141   1HE   MET  23          1HE       MET  23   4.892  12.473  -3.373
  142   2HE   MET  23          2HE       MET  23   4.468  11.849  -4.988
  143   3HE   MET  23          3HE       MET  23   5.302  13.410  -4.825
  144    H    GLY  24           H        GLY  24   3.364  14.946  -0.045
  145   1HA   GLY  24          2HA       GLY  24   2.830  16.047   1.886
  146   2HA   GLY  24          1HA       GLY  24   1.538  14.871   2.165
  147    H    SER  25           H        SER  25   5.018  14.153   1.819
  148    HA   SER  25           HA       SER  25   6.533  13.170   3.190
  149   1HB   SER  25          2HB       SER  25   5.165  14.793   5.363
  150   2HB   SER  25          1HB       SER  25   6.819  14.167   5.403
  151    HG   SER  25           HG       SER  25   7.251  15.495   3.547
  152    H    ALA  26           H        ALA  26   4.629  11.455   2.611
  153    HA   ALA  26           HA       ALA  26   3.050  10.407   4.726
  154   1HB   ALA  26          3HB       ALA  26   4.180   9.095   2.241
  155   2HB   ALA  26          2HB       ALA  26   2.888   8.420   3.214
  156   3HB   ALA  26          1HB       ALA  26   2.633   9.962   2.346
  157    H    LYS  27           HN       LYS  27   3.246   8.429   5.980
  158    HA   LYS  27           HA       LYS  27   5.732   7.795   7.095
  159   1HB   LYS  27          2HB       LYS  27   2.908   6.664   6.912
  160   2HB   LYS  27          1HB       LYS  27   4.180   5.787   7.698
  161   1HG   LYS  27          1HG       LYS  27   4.486   7.453   9.383
  162   2HG   LYS  27          2HG       LYS  27   3.590   8.654   8.433
  163   1HD   LYS  27          2HD       LYS  27   2.097   8.106  10.110
  164   2HD   LYS  27          1HD       LYS  27   1.502   7.194   8.728
  165   1HE   LYS  27          2HE       LYS  27   3.203   6.058  11.018
  166   2HE   LYS  27          1HE       LYS  27   1.440   5.960  10.896
  167   1HZ   LYS  27          1HZ       LYS  27   1.739   4.756   8.821
  168   2HZ   LYS  27          2HZ       LYS  27   3.362   4.706   9.085
  169   3HZ   LYS  27          3HZ       LYS  27   2.342   3.965  10.138
  170    HA   PRO  28           HA       PRO  28   6.843   5.046   3.694
  171   1HB   PRO  28          2HB       PRO  28   8.976   3.677   4.774
  172   2HB   PRO  28          1HB       PRO  28   9.076   5.418   4.362
  173   1HG   PRO  28          1HG       PRO  28   8.480   4.213   7.077
  174   2HG   PRO  28          2HG       PRO  28   9.700   5.460   6.680
  175   1HD   PRO  28          2HD       PRO  28   7.220   6.101   7.628
  176   2HD   PRO  28          1HD       PRO  28   8.021   7.123   6.392
  177    H    VAL  29           H        VAL  29   6.604   2.807   3.172
  178    HA   VAL  29           HA       VAL  29   4.651   1.494   4.985
  179    HB   VAL  29           HB       VAL  29   4.518  -0.058   2.910
  180   1HG1  VAL  29          3HG2      VAL  29   3.422   2.795   2.925
  181   2HG1  VAL  29          2HG2      VAL  29   2.764   1.462   1.948
  182   3HG1  VAL  29          1HG2      VAL  29   2.702   1.374   3.717
  183   1HG2  VAL  29          2HG1      VAL  29   5.682   2.389   1.543
  184   2HG2  VAL  29          1HG1      VAL  29   6.304   0.723   1.583
  185   3HG2  VAL  29          3HG1      VAL  29   4.796   1.097   0.743
  186    H    LYS  30           HN       LYS  30   7.799   1.048   3.474
  187    HA   LYS  30           HA       LYS  30   8.330  -1.627   3.772
  188   1HB   LYS  30          2HB       LYS  30   9.657  -0.039   2.675
  189   2HB   LYS  30          1HB       LYS  30  10.150   0.750   4.197
  190   1HG   LYS  30          1HG       LYS  30  11.224  -1.461   4.890
  191   2HG   LYS  30          2HG       LYS  30  10.821  -2.093   3.295
  192   1HD   LYS  30          2HD       LYS  30  12.131  -0.134   2.301
  193   2HD   LYS  30          1HD       LYS  30  12.614   0.287   3.960
  194   1HE   LYS  30          2HE       LYS  30  13.648  -1.966   4.220
  195   2HE   LYS  30          1HE       LYS  30  13.200  -2.364   2.559
  196   1HZ   LYS  30          2HZ       LYS  30  14.975  -0.157   3.308
  197   2HZ   LYS  30          1HZ       LYS  30  15.452  -1.636   2.760
  198   3HZ   LYS  30          3HZ       LYS  30  14.596  -0.639   1.771
  199    H    GLY  31           H        GLY  31   7.815  -2.810   5.539
  200   1HA   GLY  31          2HA       GLY  31   8.072  -3.729   7.556
  201   2HA   GLY  31          1HA       GLY  31   9.275  -2.513   7.963
  202    H    GLN  32           H        GLN  32   5.897  -1.367   7.232
  203    HA   GLN  32           HA       GLN  32   5.670  -0.347   9.906
  204   1HB   GLN  32          2HB       GLN  32   3.155  -1.118   8.413
  205   2HB   GLN  32          1HB       GLN  32   3.430   0.149   9.604
  206   1HG   GLN  32          2HG       GLN  32   5.091   1.089   7.796
  207   2HG   GLN  32          1HG       GLN  32   4.154   0.036   6.717
  208   1HE2  GLN  32          1HE2      GLN  32   2.629   3.563   6.773
  209   2HE2  GLN  32          2HE2      GLN  32   4.318   3.097   6.835
  210    H    GLY  33           H        GLY  33   4.263  -3.022   8.434
  211   1HA   GLY  33          1HA       GLY  33   5.069  -5.263   9.647
  212   2HA   GLY  33          2HA       GLY  33   3.865  -4.781  10.838
  213    H    ALA  34           H        ALA  34   3.836  -7.090   9.080
  214    HA   ALA  34           HA       ALA  34   2.118  -6.926   6.970
  215   1HB   ALA  34          2HB       ALA  34   3.315  -8.943   7.669
  216   2HB   ALA  34          3HB       ALA  34   2.235  -9.113   9.072
  217   3HB   ALA  34          1HB       ALA  34   1.587  -9.281   7.416
  218    H    GLU  35           HN       GLU  35   1.037  -7.138  10.438
  219    HA   GLU  35           HA       GLU  35  -1.721  -7.367   9.865
  220   1HB   GLU  35          1HB       GLU  35  -0.078  -6.331  12.245
  221   2HB   GLU  35          2HB       GLU  35  -1.809  -6.536  12.223
  222   1HG   GLU  35          2HG       GLU  35  -0.881  -8.464  13.294
  223   2HG   GLU  35          1HG       GLU  35  -1.547  -8.968  11.737
  224    H    GLU  36           HN       GLU  36   0.390  -4.643  10.707
  225    HA   GLU  36           HA       GLU  36  -1.384  -2.468  10.716
  226   1HB   GLU  36          1HB       GLU  36   1.567  -2.759   9.917
  227   2HB   GLU  36          2HB       GLU  36   0.761  -1.218   9.944
  228   1HG   GLU  36          1HG       GLU  36   2.055  -1.582  11.952
  229   2HG   GLU  36          2HG       GLU  36   0.325  -1.456  12.343
  230    H    LEU  37           H        LEU  37   0.735  -3.616   8.137
  231    HA   LEU  37           HA       LEU  37  -0.227  -1.989   6.052
  232   1HB   LEU  37          1HB       LEU  37   1.195  -4.660   6.090
  233   2HB   LEU  37          2HB       LEU  37   0.794  -3.835   4.587
  234    HG   LEU  37           HG       LEU  37   2.383  -2.421   6.751
  235   1HD1  LEU  37          2HD2      LEU  37   3.441  -4.115   4.461
  236   2HD1  LEU  37          1HD2      LEU  37   4.422  -3.071   5.517
  237   3HD1  LEU  37          3HD2      LEU  37   3.592  -4.480   6.187
  238   1HD2  LEU  37          2HD1      LEU  37   2.104  -2.017   3.737
  239   2HD2  LEU  37          3HD1      LEU  37   1.462  -0.953   5.010
  240   3HD2  LEU  37          1HD1      LEU  37   3.205  -1.115   4.791
  241    H    TYR  38           HN       TYR  38  -1.077  -5.502   6.603
  242    HA   TYR  38           HA       TYR  38  -2.930  -5.774   4.650
  243   1HB   TYR  38          2HB       TYR  38  -2.248  -7.604   6.045
  244   2HB   TYR  38          1HB       TYR  38  -3.094  -6.907   7.430
  245    HD1  TYR  38           HE2      TYR  38  -4.381  -7.192   3.866
  246    HD2  TYR  38           HD1      TYR  38  -4.600  -8.688   7.916
  247    HE1  TYR  38           HE1      TYR  38  -6.396  -8.474   3.288
  248    HE2  TYR  38           HD2      TYR  38  -6.563 -10.049   7.292
  249    HH   TYR  38           HH       TYR  38  -8.039 -10.635   5.608
  250    H    LYS  39           HN       LYS  39  -3.620  -4.535   7.920
  251    HA   LYS  39           HA       LYS  39  -6.371  -3.999   7.558
  252   1HB   LYS  39          2HB       LYS  39  -4.875  -3.986   9.667
  253   2HB   LYS  39          1HB       LYS  39  -4.395  -2.358   9.227
  254   1HG   LYS  39          2HG       LYS  39  -6.742  -1.601   9.340
  255   2HG   LYS  39          1HG       LYS  39  -7.265  -3.250   9.756
  256   1HD   LYS  39          1HD       LYS  39  -5.811  -3.232  11.753
  257   2HD   LYS  39          2HD       LYS  39  -5.260  -1.596  11.367
  258   1HE   LYS  39          2HE       LYS  39  -8.148  -2.392  12.011
  259   2HE   LYS  39          1HE       LYS  39  -7.018  -1.623  13.138
  260   1HZ   LYS  39          1HZ       LYS  39  -6.911   0.254  11.657
  261   2HZ   LYS  39          3HZ       LYS  39  -7.996  -0.447  10.633
  262   3HZ   LYS  39          2HZ       LYS  39  -8.456  -0.025  12.156
  263    H    LYS  40           HN       LYS  40  -3.512  -1.843   7.113
  264    HA   LYS  40           HA       LYS  40  -4.962   0.414   6.270
  265   1HB   LYS  40          1HB       LYS  40  -2.097  -0.534   6.030
  266   2HB   LYS  40          2HB       LYS  40  -2.656   1.022   5.445
  267   1HG   LYS  40          1HG       LYS  40  -3.338   1.756   7.610
  268   2HG   LYS  40          2HG       LYS  40  -3.231   0.129   8.295
  269   1HD   LYS  40          2HD       LYS  40  -0.760   0.141   7.983
  270   2HD   LYS  40          1HD       LYS  40  -0.862   1.769   7.338
  271   1HE   LYS  40          2HE       LYS  40  -2.020   2.439   9.545
  272   2HE   LYS  40          1HE       LYS  40  -1.537   0.841  10.153
  273   1HZ   LYS  40          3HZ       LYS  40   0.751   1.504   9.520
  274   2HZ   LYS  40          2HZ       LYS  40   0.181   3.009   9.188
  275   3HZ   LYS  40          1HZ       LYS  40   0.093   2.427  10.732
  276    H    MET  41           H        MET  41  -3.343  -2.158   4.090
  277    HA   MET  41           HA       MET  41  -4.188  -0.941   1.761
  278   1HB   MET  41          1HB       MET  41  -4.486  -3.762   1.391
  279   2HB   MET  41          2HB       MET  41  -3.275  -2.633   0.807
  280   1HG   MET  41          2HG       MET  41  -3.026  -4.160   3.330
  281   2HG   MET  41          1HG       MET  41  -2.348  -4.700   1.797
  282   1HE   MET  41          2HE       MET  41  -0.676  -3.287   0.359
  283   2HE   MET  41          1HE       MET  41  -1.255  -1.646   0.743
  284   3HE   MET  41          3HE       MET  41   0.434  -2.079   1.059
  285    H    LYS  42           HN       LYS  42  -6.048  -3.219   3.908
  286    HA   LYS  42           HA       LYS  42  -8.338  -3.273   2.192
  287   1HB   LYS  42          1HB       LYS  42  -8.041  -3.630   5.200
  288   2HB   LYS  42          2HB       LYS  42  -9.582  -3.806   4.344
  289   1HG   LYS  42          1HG       LYS  42  -8.589  -5.534   2.880
  290   2HG   LYS  42          2HG       LYS  42  -7.085  -5.478   3.816
  291   1HD   LYS  42          1HD       LYS  42  -9.869  -6.178   4.888
  292   2HD   LYS  42          2HD       LYS  42  -8.622  -7.348   4.449
  293   1HE   LYS  42          1HE       LYS  42  -7.103  -6.327   6.189
  294   2HE   LYS  42          2HE       LYS  42  -8.438  -5.269   6.684
  295   1HZ   LYS  42          2HZ       LYS  42  -8.494  -8.194   6.752
  296   2HZ   LYS  42          3HZ       LYS  42  -8.297  -7.196   8.049
  297   3HZ   LYS  42          1HZ       LYS  42  -9.718  -7.191   7.213
  298    H    GLY  43           H        GLY  43  -7.488  -1.142   4.952
  299   1HA   GLY  43          2HA       GLY  43  -9.746   0.472   5.107
  300   2HA   GLY  43          1HA       GLY  43  -8.096   0.976   5.481
  301    H    TYR  44           H        TYR  44  -6.837   0.933   3.061
  302    HA   TYR  44           HA       TYR  44  -7.779   3.297   1.744
  303   1HB   TYR  44          1HB       TYR  44  -5.645   1.242   1.111
  304   2HB   TYR  44          2HB       TYR  44  -6.119   2.456  -0.080
  305    HD1  TYR  44           HD2      TYR  44  -6.159   4.932   0.606
  306    HD2  TYR  44           HD1      TYR  44  -3.834   1.874   2.568
  307    HE1  TYR  44           HE2      TYR  44  -4.561   6.648   1.443
  308    HE2  TYR  44           HE1      TYR  44  -2.277   3.629   3.398
  309    HH   TYR  44           HH       TYR  44  -1.621   5.819   3.182
  310    H    ALA  45           H        ALA  45  -7.865  -0.195   0.735
  311    HA   ALA  45           HA       ALA  45  -9.204   0.154  -1.703
  312   1HB   ALA  45          2HB       ALA  45  -8.252  -2.016  -0.898
  313   2HB   ALA  45          3HB       ALA  45  -9.561  -2.134   0.290
  314   3HB   ALA  45          1HB       ALA  45  -9.935  -2.176  -1.436
  315    H    ASP  46           HN       ASP  46 -10.640  -0.201   1.551
  316    HA   ASP  46           HA       ASP  46 -13.370  -0.088   0.718
  317   1HB   ASP  46          1HB       ASP  46 -11.978   0.485   3.377
  318   2HB   ASP  46          2HB       ASP  46 -13.712   0.277   3.157
  319    H    GLY  47           H        GLY  47 -10.960   2.388   0.848
  320   1HA   GLY  47          1HA       GLY  47 -11.090   4.635   0.580
  321   2HA   GLY  47          2HA       GLY  47 -12.826   4.478   0.253
  322    H    SER  48           H        SER  48 -11.473   3.187   3.270
  323    HA   SER  48           HA       SER  48 -12.996   5.236   4.816
  324   1HB   SER  48          1HB       SER  48 -12.557   3.610   6.685
  325   2HB   SER  48          2HB       SER  48 -13.555   2.973   5.360
  326    HG   SER  48           HG       SER  48 -11.956   1.467   5.892
  327    H    TYR  49           H        TYR  49  -9.934   3.438   4.942
  328    HA   TYR  49           HA       TYR  49  -8.570   5.641   6.356
  329   1HB   TYR  49          1HB       TYR  49  -8.170   3.176   6.776
  330   2HB   TYR  49          2HB       TYR  49  -7.325   3.101   5.232
  331    HD1  TYR  49           HD2      TYR  49  -7.377   4.732   8.589
  332    HD2  TYR  49           HD1      TYR  49  -5.030   3.895   5.070
  333    HE1  TYR  49           HE2      TYR  49  -5.361   5.621   9.720
  334    HE2  TYR  49           HE1      TYR  49  -3.032   4.835   6.186
  335    HH   TYR  49           HH       TYR  49  -2.124   5.499   8.245
  336    H    GLY  50           H        GLY  50  -9.332   7.033   4.499
  337   1HA   GLY  50          1HA       GLY  50  -7.258   7.188   2.336
  338   2HA   GLY  50          2HA       GLY  50  -8.972   7.348   1.990
  339    H    GLY  51           H        GLY  51  -8.665   9.504   1.209
  340   1HA   GLY  51          1HA       GLY  51  -9.237  11.730   2.512
  341   2HA   GLY  51          2HA       GLY  51  -7.549  11.575   3.012
  342    H    GLU  52           HN       GLU  52  -9.598  12.741   0.610
  343    HA   GLU  52           HA       GLU  52  -9.392  13.475  -1.529
  344   1HB   GLU  52          1HB       GLU  52  -7.006  14.730  -0.105
  345   2HB   GLU  52          2HB       GLU  52  -7.670  15.274  -1.658
  346   1HG   GLU  52          2HG       GLU  52  -8.579  16.680   0.033
  347   2HG   GLU  52          1HG       GLU  52  -9.889  15.640  -0.533
  348    H    ARG  53           HN       ARG  53  -5.913  13.630  -1.445
  349    HA   ARG  53           HA       ARG  53  -5.505  12.613  -4.000
  350   1HB   ARG  53          2HB       ARG  53  -3.186  12.497  -3.453
  351   2HB   ARG  53          1HB       ARG  53  -3.884  13.895  -2.636
  352   1HG   ARG  53          1HG       ARG  53  -3.980  12.362  -0.504
  353   2HG   ARG  53          2HG       ARG  53  -2.946  11.249  -1.407
  354   1HD   ARG  53          2HD       ARG  53  -1.363  13.150  -1.862
  355   2HD   ARG  53          1HD       ARG  53  -2.333  14.203  -0.834
  356    HE   ARG  53           HE       ARG  53  -0.370  12.248  -0.045
  357   1HH1  ARG  53          2HH2      ARG  53  -3.392  13.668   1.091
  358   2HH1  ARG  53          1HH2      ARG  53  -2.892  13.725   2.762
  359   1HH2  ARG  53          2HH1      ARG  53   0.347  12.443   2.056
  360   2HH2  ARG  53          1HH1      ARG  53  -0.725  12.947   3.339
  361    H    LYS  54           HN       LYS  54  -5.739  10.921  -0.952
  362    HA   LYS  54           HA       LYS  54  -4.657   8.415  -1.635
  363   1HB   LYS  54          1HB       LYS  54  -6.814   9.258   0.309
  364   2HB   LYS  54          2HB       LYS  54  -6.059   7.668   0.312
  365   1HG   LYS  54          2HG       LYS  54  -3.834   8.756   0.541
  366   2HG   LYS  54          1HG       LYS  54  -4.556  10.346   0.620
  367   1HD   LYS  54          1HD       LYS  54  -5.541   9.997   2.739
  368   2HD   LYS  54          2HD       LYS  54  -5.245   8.253   2.706
  369   1HE   LYS  54          2HE       LYS  54  -2.753   8.790   2.580
  370   2HE   LYS  54          1HE       LYS  54  -3.179  10.473   2.936
  371   1HZ   LYS  54          1HZ       LYS  54  -4.218   9.665   4.963
  372   2HZ   LYS  54          3HZ       LYS  54  -3.775   8.119   4.597
  373   3HZ   LYS  54          2HZ       LYS  54  -2.622   9.250   4.908
  374    H    ALA  55           H        ALA  55  -7.674   9.843  -2.616
  375    HA   ALA  55           HA       ALA  55  -9.282   7.611  -3.157
  376   1HB   ALA  55          3HB       ALA  55 -10.009   9.924  -3.512
  377   2HB   ALA  55          1HB       ALA  55  -8.880  10.092  -4.876
  378   3HB   ALA  55          2HB       ALA  55 -10.246   8.960  -4.984
  379    H    MET  56           H        MET  56  -6.435   8.811  -4.992
  380    HA   MET  56           HA       MET  56  -6.782   7.049  -7.259
  381   1HB   MET  56          1HB       MET  56  -4.247   8.308  -6.101
  382   2HB   MET  56          2HB       MET  56  -4.403   7.576  -7.701
  383   1HG   MET  56          2HG       MET  56  -5.815  10.077  -6.682
  384   2HG   MET  56          1HG       MET  56  -4.516  10.001  -7.863
  385   1HE   MET  56          1HE       MET  56  -4.746   8.882 -10.214
  386   2HE   MET  56          2HE       MET  56  -5.661   7.432  -9.721
  387   3HE   MET  56          3HE       MET  56  -6.298   8.494 -10.993
  388    H    MET  57           H        MET  57  -5.034   6.846  -4.191
  389    HA   MET  57           HA       MET  57  -3.705   4.370  -4.630
  390   1HB   MET  57          2HB       MET  57  -3.279   6.200  -2.913
  391   2HB   MET  57          1HB       MET  57  -4.601   5.491  -1.951
  392   1HG   MET  57          1HG       MET  57  -3.372   3.368  -1.804
  393   2HG   MET  57          2HG       MET  57  -2.134   4.010  -2.887
  394   1HE   MET  57          3HE       MET  57  -3.434   6.703  -0.538
  395   2HE   MET  57          2HE       MET  57  -1.996   6.985   0.442
  396   3HE   MET  57          1HE       MET  57  -1.924   7.193  -1.322
  397    H    THR  58           H        THR  58  -6.745   5.231  -2.914
  398    HA   THR  58           HA       THR  58  -7.764   2.759  -2.227
  399    HB   THR  58           HB       THR  58  -9.133   5.275  -3.238
  400    HG1  THR  58           HG1      THR  58  -8.962   4.153  -0.667
  401   1HG2  THR  58          3HG2      THR  58 -10.444   2.767  -2.154
  402   2HG2  THR  58          2HG2      THR  58 -11.197   4.375  -2.129
  403   3HG2  THR  58          1HG2      THR  58 -10.779   3.615  -3.668
  404    H    ASN  59           H        ASN  59  -8.276   4.459  -5.411
  405    HA   ASN  59           HA       ASN  59  -9.656   2.298  -6.589
  406   1HB   ASN  59          2HB       ASN  59  -9.453   4.619  -7.510
  407   2HB   ASN  59          1HB       ASN  59  -7.819   4.227  -8.049
  408   1HD2  ASN  59          1HD2      ASN  59  -9.777   1.660 -10.281
  409   2HD2  ASN  59          2HD2      ASN  59  -9.098   1.228  -8.724
  410    H    ALA  60           H        ALA  60  -6.106   2.975  -6.513
  411    HA   ALA  60           HA       ALA  60  -5.374   0.842  -8.249
  412   1HB   ALA  60          1HB       ALA  60  -3.850   2.679  -7.644
  413   2HB   ALA  60          2HB       ALA  60  -3.752   2.078  -5.978
  414   3HB   ALA  60          3HB       ALA  60  -3.126   1.094  -7.310
  415    H    VAL  61           H        VAL  61  -5.266   0.915  -4.643
  416    HA   VAL  61           HA       VAL  61  -4.613  -1.849  -4.452
  417    HB   VAL  61           HB       VAL  61  -4.123  -0.151  -2.730
  418   1HG1  VAL  61          3HG1      VAL  61  -6.316   1.029  -2.663
  419   2HG1  VAL  61          1HG1      VAL  61  -7.058  -0.422  -2.002
  420   3HG1  VAL  61          2HG1      VAL  61  -5.819   0.434  -1.076
  421   1HG2  VAL  61          2HG2      VAL  61  -4.069  -2.588  -2.220
  422   2HG2  VAL  61          3HG2      VAL  61  -4.467  -1.568  -0.821
  423   3HG2  VAL  61          1HG2      VAL  61  -5.754  -2.460  -1.643
  424    H    LYS  62           HN       LYS  62  -7.810  -0.204  -4.576
  425    HA   LYS  62           HA       LYS  62  -9.348  -2.408  -3.714
  426   1HB   LYS  62          2HB       LYS  62 -10.221  -0.141  -3.928
  427   2HB   LYS  62          1HB       LYS  62 -10.045  -0.212  -5.694
  428   1HG   LYS  62          1HG       LYS  62 -11.792  -1.943  -5.822
  429   2HG   LYS  62          2HG       LYS  62 -11.719  -2.164  -4.074
  430   1HD   LYS  62          1HD       LYS  62 -13.657  -0.973  -4.293
  431   2HD   LYS  62          2HD       LYS  62 -12.519   0.301  -3.876
  432   1HE   LYS  62          1HE       LYS  62 -13.535  -0.403  -6.688
  433   2HE   LYS  62          2HE       LYS  62 -14.104   0.937  -5.682
  434   1HZ   LYS  62          2HZ       LYS  62 -11.870   1.830  -5.755
  435   2HZ   LYS  62          3HZ       LYS  62 -11.418   0.638  -6.802
  436   3HZ   LYS  62          1HZ       LYS  62 -12.566   1.729  -7.247
  437    H    LYS  63           HN       LYS  63  -7.615  -1.943  -6.791
  438    HA   LYS  63           HA       LYS  63  -9.240  -3.859  -8.196
  439   1HB   LYS  63          1HB       LYS  63  -7.061  -2.002  -8.768
  440   2HB   LYS  63          2HB       LYS  63  -6.737  -3.581  -9.435
  441   1HG   LYS  63          1HG       LYS  63  -7.958  -2.170 -11.026
  442   2HG   LYS  63          2HG       LYS  63  -8.969  -3.550 -10.563
  443   1HD   LYS  63          1HD       LYS  63 -10.241  -2.110  -8.976
  444   2HD   LYS  63          2HD       LYS  63  -9.130  -0.779  -9.289
  445   1HE   LYS  63          1HE       LYS  63  -9.894  -0.643 -11.625
  446   2HE   LYS  63          2HE       LYS  63 -10.880  -2.103 -11.418
  447   1HZ   LYS  63          1HZ       LYS  63 -11.300   0.415  -9.967
  448   2HZ   LYS  63          3HZ       LYS  63 -12.175  -0.110 -11.262
  449   3HZ   LYS  63          2HZ       LYS  63 -12.214  -0.949  -9.846
  450    H    ALA  64           H        ALA  64  -6.989  -4.229  -5.659
  451    HA   ALA  64           HA       ALA  64  -6.029  -6.897  -6.552
  452   1HB   ALA  64          1HB       ALA  64  -4.350  -5.286  -5.772
  453   2HB   ALA  64          3HB       ALA  64  -5.225  -5.082  -4.245
  454   3HB   ALA  64          2HB       ALA  64  -4.494  -6.637  -4.636
  455    H    SER  65           H        SER  65  -6.587  -8.745  -5.320
  456    HA   SER  65           HA       SER  65  -9.153  -8.547  -3.873
  457   1HB   SER  65          1HB       SER  65  -8.982 -11.057  -4.018
  458   2HB   SER  65          2HB       SER  65  -8.910 -10.244  -5.592
  459    HG   SER  65           HG       SER  65  -7.230 -11.759  -5.456
  460    H    ASP  66           HN       ASP  66  -9.350  -9.809  -1.742
  461    HA   ASP  66           HA       ASP  66  -7.651  -8.898   0.219
  462   1HB   ASP  66          2HB       ASP  66  -9.194 -11.525   0.237
  463   2HB   ASP  66          1HB       ASP  66  -8.524 -10.706   1.657
  464    H    GLU  67           HN       GLU  67  -7.271 -11.889  -1.650
  465    HA   GLU  67           HA       GLU  67  -5.087 -13.065  -0.280
  466   1HB   GLU  67          2HB       GLU  67  -6.318 -14.267  -1.954
  467   2HB   GLU  67          1HB       GLU  67  -5.940 -13.087  -3.211
  468   1HG   GLU  67          1HG       GLU  67  -3.704 -14.609  -1.821
  469   2HG   GLU  67          2HG       GLU  67  -4.662 -15.378  -3.088
  470    H    GLU  68           HN       GLU  68  -5.130 -10.767  -3.026
  471    HA   GLU  68           HA       GLU  68  -2.341 -10.489  -3.243
  472   1HB   GLU  68          2HB       GLU  68  -4.766  -8.788  -4.010
  473   2HB   GLU  68          1HB       GLU  68  -3.131  -8.445  -4.423
  474   1HG   GLU  68          2HG       GLU  68  -4.603 -10.972  -5.245
  475   2HG   GLU  68          1HG       GLU  68  -4.459  -9.529  -6.251
  476    H    LEU  69           H        LEU  69  -4.865  -8.557  -1.547
  477    HA   LEU  69           HA       LEU  69  -3.209  -6.524  -0.527
  478   1HB   LEU  69          1HB       LEU  69  -5.531  -7.806   0.945
  479   2HB   LEU  69          2HB       LEU  69  -4.767  -6.258   1.296
  480    HG   LEU  69           HG       LEU  69  -6.476  -6.975  -1.105
  481   1HD1  LEU  69          3HD1      LEU  69  -7.579  -6.304   0.966
  482   2HD1  LEU  69          1HD1      LEU  69  -6.639  -4.789   0.984
  483   3HD1  LEU  69          2HD1      LEU  69  -7.805  -5.098  -0.322
  484   1HD2  LEU  69          2HD2      LEU  69  -4.777  -4.488  -0.747
  485   2HD2  LEU  69          1HD2      LEU  69  -4.633  -5.687  -2.051
  486   3HD2  LEU  69          3HD2      LEU  69  -6.087  -4.691  -1.936
  487    H    LYS  70           HN       LYS  70  -3.885  -9.759   0.939
  488    HA   LYS  70           HA       LYS  70  -2.193  -9.319   3.208
  489   1HB   LYS  70          1HB       LYS  70  -3.110 -11.865   1.812
  490   2HB   LYS  70          2HB       LYS  70  -2.110 -11.864   3.276
  491   1HG   LYS  70          1HG       LYS  70  -3.808 -10.510   4.459
  492   2HG   LYS  70          2HG       LYS  70  -4.868 -10.603   3.047
  493   1HD   LYS  70          2HD       LYS  70  -3.822 -12.975   4.678
  494   2HD   LYS  70          1HD       LYS  70  -5.420 -12.249   4.867
  495   1HE   LYS  70          1HE       LYS  70  -4.389 -13.655   2.357
  496   2HE   LYS  70          2HE       LYS  70  -5.551 -14.294   3.525
  497   1HZ   LYS  70          3HZ       LYS  70  -7.016 -12.482   2.966
  498   2HZ   LYS  70          2HZ       LYS  70  -5.942 -11.924   1.845
  499   3HZ   LYS  70          1HZ       LYS  70  -6.656 -13.396   1.640
  500    H    ALA  71           H        ALA  71  -1.529 -10.675  -0.050
  501    HA   ALA  71           HA       ALA  71   1.202 -11.258   0.550
  502   1HB   ALA  71          2HB       ALA  71  -0.113 -12.178  -1.386
  503   2HB   ALA  71          3HB       ALA  71  -0.033 -10.583  -2.162
  504   3HB   ALA  71          1HB       ALA  71   1.458 -11.500  -1.857
  505    H    LEU  72           H        LEU  72  -0.357  -8.267  -0.645
  506    HA   LEU  72           HA       LEU  72   1.991  -6.855  -1.325
  507   1HB   LEU  72          1HB       LEU  72  -0.646  -6.520  -1.629
  508   2HB   LEU  72          2HB       LEU  72  -0.518  -5.566  -0.178
  509    HG   LEU  72           HG       LEU  72   0.845  -3.925  -1.333
  510   1HD1  LEU  72          3HD1      LEU  72   0.955  -5.923  -3.621
  511   2HD1  LEU  72          2HD1      LEU  72   1.382  -4.209  -3.789
  512   3HD1  LEU  72          1HD1      LEU  72   2.339  -5.239  -2.730
  513   1HD2  LEU  72          2HD2      LEU  72  -1.619  -3.901  -1.734
  514   2HD2  LEU  72          3HD2      LEU  72  -0.753  -3.352  -3.180
  515   3HD2  LEU  72          1HD2      LEU  72  -1.409  -4.984  -3.122
  516    H    ALA  73           H        ALA  73  -0.007  -6.980   1.597
  517    HA   ALA  73           HA       ALA  73   1.629  -5.427   3.291
  518   1HB   ALA  73          1HB       ALA  73  -0.191  -7.788   3.966
  519   2HB   ALA  73          2HB       ALA  73   0.444  -6.617   5.129
  520   3HB   ALA  73          3HB       ALA  73  -0.662  -6.082   3.845
  521    H    ASP  74           HN       ASP  74   1.626  -9.033   2.913
  522    HA   ASP  74           HA       ASP  74   3.695  -9.641   4.653
  523   1HB   ASP  74          2HB       ASP  74   2.330 -11.349   3.559
  524   2HB   ASP  74          1HB       ASP  74   3.029 -10.940   1.983
  525    H    TYR  75           H        TYR  75   3.999  -8.902   1.146
  526    HA   TYR  75           HA       TYR  75   6.750  -9.041   0.799
  527   1HB   TYR  75          1HB       TYR  75   5.359  -8.644  -1.075
  528   2HB   TYR  75          2HB       TYR  75   4.590  -7.269  -0.355
  529    HD1  TYR  75           HD1      TYR  75   8.117  -8.239  -1.373
  530    HD2  TYR  75           HD2      TYR  75   5.068  -5.201  -1.232
  531    HE1  TYR  75           HE1      TYR  75   9.691  -6.592  -2.368
  532    HE2  TYR  75           HE2      TYR  75   6.725  -3.515  -1.968
  533    HH   TYR  75           HH       TYR  75   8.968  -3.090  -2.445
  534    H    MET  76           H        MET  76   5.012  -5.940   1.437
  535    HA   MET  76           HA       MET  76   7.345  -4.478   2.073
  536   1HB   MET  76          2HB       MET  76   4.347  -4.204   2.241
  537   2HB   MET  76          1HB       MET  76   5.298  -3.137   3.232
  538   1HG   MET  76          1HG       MET  76   6.528  -2.284   1.335
  539   2HG   MET  76          2HG       MET  76   5.833  -3.508   0.282
  540   1HE   MET  76          1HE       MET  76   3.465  -3.574  -0.609
  541   2HE   MET  76          3HE       MET  76   2.590  -3.317   0.923
  542   3HE   MET  76          2HE       MET  76   2.297  -2.244  -0.469
  543    H    SER  77           H        SER  77   5.442  -6.606   4.156
  544    HA   SER  77           HA       SER  77   6.658  -5.538   6.597
  545   1HB   SER  77          2HB       SER  77   4.386  -6.605   6.476
  546   2HB   SER  77          1HB       SER  77   5.186  -8.155   6.163
  547    HG   SER  77           HG       SER  77   6.410  -7.674   8.159
  548    H    LYS  78           HN       LYS  78   7.974  -7.446   4.086
  549    HA   LYS  78           HA       LYS  78   9.937  -8.732   5.922
  550   1HB   LYS  78          1HB       LYS  78   8.058 -10.276   5.226
  551   2HB   LYS  78          2HB       LYS  78   8.492  -9.966   3.537
  552   1HG   LYS  78          1HG       LYS  78  10.619 -11.111   3.821
  553   2HG   LYS  78          2HG       LYS  78  10.425 -11.138   5.583
  554   1HD   LYS  78          1HD       LYS  78   9.926 -13.342   4.610
  555   2HD   LYS  78          2HD       LYS  78   8.505 -12.648   5.410
  556   1HE   LYS  78          2HE       LYS  78   7.575 -11.964   3.214
  557   2HE   LYS  78          1HE       LYS  78   9.020 -12.591   2.396
  558   1HZ   LYS  78          2HZ       LYS  78   7.094 -14.143   3.981
  559   2HZ   LYS  78          3HZ       LYS  78   7.178 -14.099   2.339
  560   3HZ   LYS  78          1HZ       LYS  78   8.414 -14.763   3.207
  561    H    LEU  79           H        LEU  79  10.308  -6.222   4.865
  562    HA   LEU  79           HA       LEU  79  12.177  -6.525   2.658
  563   1HB   LEU  79          2HB       LEU  79   9.874  -6.245   1.740
  564   2HB   LEU  79          1HB       LEU  79   9.584  -4.919   2.893
  565    HG   LEU  79           HG       LEU  79  11.444  -3.714   1.783
  566   1HD1  LEU  79          2HD1      LEU  79  11.054  -5.943  -0.282
  567   2HD1  LEU  79          1HD1      LEU  79  11.973  -4.456  -0.595
  568   3HD1  LEU  79          3HD1      LEU  79  12.547  -5.611   0.620
  569   1HD2  LEU  79          1HD2      LEU  79   8.905  -4.468   0.315
  570   2HD2  LEU  79          2HD2      LEU  79   9.200  -3.036   1.327
  571   3HD2  LEU  79          3HD2      LEU  79   9.988  -3.189  -0.255
  572    HHA  HEC   1           HHA      HEM   1   1.259   5.292   3.696
  573    HHB  HEC   1           HHB      HEM   1  -0.972   0.212   0.560
  574    HHC  HEC   1           HHC      HEM   1   0.869   3.072  -4.823
  575    HHD  HEC   1           HHD      HEM   1   0.819   8.702  -1.658
  576   1HMA  HEC   1          1HMA      HEM   1  -1.579   0.094   2.920
  577   2HMA  HEC   1          2HMA      HEM   1  -0.589   0.383   4.358
  578   3HMA  HEC   1          3HMA      HEM   1   0.141  -0.382   2.940
  579   1HAA  HEC   1          1HAA      HEM   1   0.674   1.959   5.330
  580   2HAA  HEC   1          2HAA      HEM   1   1.580   3.397   4.912
  581   1HBA  HEC   1          1HBA      HEM   1  -1.349   3.168   5.731
  582   2HBA  HEC   1          2HBA      HEM   1  -0.761   4.607   4.939
  583   1HMB  HEC   1          1HMB      HEM   1  -2.000  -0.807  -1.228
  584   2HMB  HEC   1          2HMB      HEM   1  -0.425  -1.532  -1.664
  585   3HMB  HEC   1          3HMB      HEM   1  -1.659  -1.167  -2.902
  586    HAB  HEC   1           HAB      HEM   1   0.380   1.094  -5.349
  587   1HBB  HEC   1          1HBB      HEM   1  -1.018  -0.984  -5.017
  588   2HBB  HEC   1          2HBB      HEM   1   0.515  -1.256  -5.829
  589   3HBB  HEC   1          3HBB      HEM   1   0.378  -1.671  -4.115
  590   1HMC  HEC   1          1HMC      HEM   1   0.093   4.887  -6.323
  591   2HMC  HEC   1          2HMC      HEM   1   1.853   5.151  -6.288
  592   3HMC  HEC   1          3HMC      HEM   1   0.749   6.505  -6.594
  593    HAC  HEC   1           HAC      HEM   1   1.717   8.986  -3.634
  594   1HBC  HEC   1          1HBC      HEM   1  -0.164   8.535  -5.963
  595   2HBC  HEC   1          2HBC      HEM   1   0.542  10.077  -5.450
  596   3HBC  HEC   1          3HBC      HEM   1  -0.610   9.230  -4.390
  597   1HMD  HEC   1          1HMD      HEM   1   1.189  10.150   0.286
  598   2HMD  HEC   1          2HMD      HEM   1  -0.570   9.896   0.201
  599   3HMD  HEC   1          3HMD      HEM   1   0.196  10.260   1.754
  600   1HAD  HEC   1          1HAD      HEM   1  -0.806   8.240   3.693
  601   2HAD  HEC   1          2HAD      HEM   1   0.678   9.145   3.625
  602   1HBD  HEC   1          1HBD      HEM   1   0.161   6.535   5.055
  603   2HBD  HEC   1          2HBD      HEM   1   1.812   7.099   4.813
   
  No H/Q in entry =         603
  Start of MODEL   21
    1   1H    ALA   1          3H        ALA   1  -1.403 -13.701  -5.561
    2   2H    ALA   1          1H        ALA   1  -1.489 -12.162  -6.091
    3   3H    ALA   1          2H        ALA   1  -1.676 -13.399  -7.161
    4    HA   ALA   1           HA       ALA   1   0.618 -14.025  -6.868
    5   1HB   ALA   1          1HB       ALA   1   0.099 -12.364  -8.628
    6   2HB   ALA   1          2HB       ALA   1   0.281 -11.049  -7.445
    7   3HB   ALA   1          3HB       ALA   1   1.683 -12.046  -7.896
    8    H    ASP   2           HN       ASP   2   2.794 -13.224  -6.051
    9    HA   ASP   2           HA       ASP   2   2.652 -13.131  -3.194
   10   1HB   ASP   2          1HB       ASP   2   5.030 -13.494  -3.319
   11   2HB   ASP   2          2HB       ASP   2   4.234 -14.521  -4.512
   12    H    GLY   3           H        GLY   3   1.588 -10.593  -4.054
   13   1HA   GLY   3          1HA       GLY   3   1.760  -8.466  -3.163
   14   2HA   GLY   3          2HA       GLY   3   3.306  -8.893  -2.465
   15    H    ALA   4           H        ALA   4   4.994  -9.388  -4.203
   16    HA   ALA   4           HA       ALA   4   6.133  -7.086  -5.131
   17   1HB   ALA   4          3HB       ALA   4   7.276  -9.258  -4.967
   18   2HB   ALA   4          2HB       ALA   4   6.405  -9.845  -6.393
   19   3HB   ALA   4          1HB       ALA   4   7.557  -8.501  -6.546
   20    H    ALA   5           H        ALA   5   4.218  -9.322  -7.118
   21    HA   ALA   5           HA       ALA   5   4.313  -8.109  -9.600
   22   1HB   ALA   5          1HB       ALA   5   3.288 -10.309  -9.135
   23   2HB   ALA   5          2HB       ALA   5   1.927  -9.497  -8.318
   24   3HB   ALA   5          3HB       ALA   5   2.189  -9.263 -10.059
   25    H    LEU   6           H        LEU   6   2.350  -7.104  -6.799
   26    HA   LEU   6           HA       LEU   6   0.908  -5.074  -8.426
   27   1HB   LEU   6          1HB       LEU   6   0.735  -5.653  -5.446
   28   2HB   LEU   6          2HB       LEU   6  -0.278  -4.576  -6.404
   29    HG   LEU   6           HG       LEU   6  -0.533  -6.977  -7.793
   30   1HD1  LEU   6          1HD1      LEU   6   0.655  -8.214  -5.965
   31   2HD1  LEU   6          2HD1      LEU   6  -0.549  -7.620  -4.801
   32   3HD1  LEU   6          3HD1      LEU   6  -1.034  -8.697  -6.121
   33   1HD2  LEU   6          1HD2      LEU   6  -2.340  -5.407  -7.236
   34   2HD2  LEU   6          3HD2      LEU   6  -2.778  -7.074  -6.836
   35   3HD2  LEU   6          2HD2      LEU   6  -2.303  -5.949  -5.542
   36    H    TYR   7           H        TYR   7   3.125  -5.418  -5.648
   37    HA   TYR   7           HA       TYR   7   3.487  -2.813  -4.957
   38   1HB   TYR   7          1HB       TYR   7   4.432  -4.793  -3.758
   39   2HB   TYR   7          2HB       TYR   7   5.718  -4.852  -4.967
   40    HD1  TYR   7           HD2      TYR   7   4.022  -2.259  -2.802
   41    HD2  TYR   7           HD1      TYR   7   7.744  -3.739  -4.401
   42    HE1  TYR   7           HE2      TYR   7   5.218  -0.359  -1.780
   43    HE2  TYR   7           HE1      TYR   7   8.948  -1.901  -3.265
   44    HH   TYR   7           HH       TYR   7   8.662   0.231  -2.262
   45    H    LYS   8           HN       LYS   8   5.185  -4.466  -7.610
   46    HA   LYS   8           HA       LYS   8   7.087  -2.627  -8.294
   47   1HB   LYS   8          1HB       LYS   8   6.984  -3.466 -10.552
   48   2HB   LYS   8          2HB       LYS   8   6.751  -4.760  -9.380
   49   1HG   LYS   8          2HG       LYS   8   5.115  -5.346 -10.830
   50   2HG   LYS   8          1HG       LYS   8   4.161  -4.269  -9.808
   51   1HD   LYS   8          2HD       LYS   8   4.440  -2.439 -11.488
   52   2HD   LYS   8          1HD       LYS   8   5.549  -3.455 -12.417
   53   1HE   LYS   8          2HE       LYS   8   3.310  -3.414 -13.419
   54   2HE   LYS   8          1HE       LYS   8   3.739  -5.052 -12.897
   55   1HZ   LYS   8          1HZ       LYS   8   2.061  -3.190 -11.359
   56   2HZ   LYS   8          3HZ       LYS   8   1.494  -4.410 -12.315
   57   3HZ   LYS   8          2HZ       LYS   8   2.392  -4.763 -10.982
   58    H    SER   9           H        SER   9   3.606  -2.154  -8.707
   59    HA   SER   9           HA       SER   9   3.856   0.192 -10.401
   60   1HB   SER   9          2HB       SER   9   1.435  -0.350  -8.678
   61   2HB   SER   9          1HB       SER   9   1.540   0.226 -10.346
   62    HG   SER   9           HG       SER   9   1.812  -2.388  -9.290
   63    H    CYS  10           H        CYS  10   3.291  -0.490  -6.968
   64    HA   CYS  10           HA       CYS  10   2.669   2.064  -5.982
   65   1HB   CYS  10          2HB       CYS  10   3.974  -0.106  -4.436
   66   2HB   CYS  10          1HB       CYS  10   2.867   1.098  -3.851
   67    H    ILE  11           H        ILE  11   5.680   0.266  -6.490
   68    HA   ILE  11           HA       ILE  11   7.531   1.748  -5.149
   69    HB   ILE  11           HB       ILE  11   7.672   0.458  -7.872
   70   1HG1  ILE  11          2HG1      ILE  11   8.858  -0.212  -5.132
   71   2HG1  ILE  11          1HG1      ILE  11   7.459  -0.990  -5.877
   72   1HG2  ILE  11          1HG2      ILE  11  10.037   1.709  -6.424
   73   2HG2  ILE  11          2HG2      ILE  11  10.147   0.661  -7.851
   74   3HG2  ILE  11          3HG2      ILE  11   9.378   2.221  -7.993
   75   1HD1  ILE  11          1HD1      ILE  11   9.059  -1.696  -7.778
   76   2HD1  ILE  11          2HD1      ILE  11  10.372  -1.230  -6.681
   77   3HD1  ILE  11          3HD1      ILE  11   9.240  -2.499  -6.203
   78    H    GLY  12           H        GLY  12   5.786   2.735  -8.101
   79   1HA   GLY  12          1HA       GLY  12   7.274   4.869  -9.041
   80   2HA   GLY  12          2HA       GLY  12   5.504   4.804  -9.000
   81    H    CYS  13           H        CYS  13   5.245   4.745  -6.073
   82    HA   CYS  13           HA       CYS  13   5.976   7.615  -5.483
   83   1HB   CYS  13          2HB       CYS  13   3.622   5.906  -4.754
   84   2HB   CYS  13          1HB       CYS  13   4.055   7.339  -3.826
   85    H    HIS  14           HN       HIS  14   6.194   4.272  -4.368
   86    HA   HIS  14           HA       HIS  14   7.102   5.184  -1.688
   87   1HB   HIS  14          2HB       HIS  14   6.136   2.532  -2.798
   88   2HB   HIS  14          1HB       HIS  14   6.723   2.773  -1.150
   89    HD1  HIS  14           HD1      HIS  14   5.595   5.094   0.017
   90    HD2  HIS  14           HD2      HIS  14   3.382   3.031  -2.866
   91    HE1  HIS  14           HE1      HIS  14   3.197   5.572   0.484
   92    H    GLY  15           H        GLY  15   8.580   3.932  -4.576
   93   1HA   GLY  15          1HA       GLY  15  10.819   3.622  -4.967
   94   2HA   GLY  15          2HA       GLY  15  11.192   4.005  -3.282
   95    H    ALA  16           H        ALA  16  12.446   1.893  -4.697
   96    HA   ALA  16           HA       ALA  16  11.391  -0.644  -4.579
   97   1HB   ALA  16          2HB       ALA  16  13.573  -0.097  -5.560
   98   2HB   ALA  16          3HB       ALA  16  14.254   0.180  -3.940
   99   3HB   ALA  16          1HB       ALA  16  13.714  -1.445  -4.415
  100    H    ASP  17           HN       ASP  17  12.994   1.051  -1.879
  101    HA   ASP  17           HA       ASP  17  12.623  -1.195  -0.039
  102   1HB   ASP  17          2HB       ASP  17  14.650   0.182  -0.050
  103   2HB   ASP  17          1HB       ASP  17  13.698   1.626   0.317
  104    H    GLY  18           H        GLY  18  10.426   1.193  -1.093
  105   1HA   GLY  18          1HA       GLY  18   8.428   1.864  -0.255
  106   2HA   GLY  18          2HA       GLY  18   8.624   0.765   1.110
  107    H    SER  19           H        SER  19  11.223   3.049   0.518
  108    HA   SER  19           HA       SER  19  10.879   4.309   3.077
  109   1HB   SER  19          2HB       SER  19  13.049   5.385   2.111
  110   2HB   SER  19          1HB       SER  19  13.044   3.663   2.527
  111    HG   SER  19           HG       SER  19  13.908   4.125   0.404
  112    H    LYS  20           HN       LYS  20  10.369   5.252  -0.410
  113    HA   LYS  20           HA       LYS  20  10.708   7.931  -0.097
  114   1HB   LYS  20          2HB       LYS  20  10.419   6.256  -2.153
  115   2HB   LYS  20          1HB       LYS  20   8.729   6.786  -2.042
  116   1HG   LYS  20          2HG       LYS  20   9.774   9.114  -1.880
  117   2HG   LYS  20          1HG       LYS  20  11.260   8.355  -2.481
  118   1HD   LYS  20          1HD       LYS  20   8.543   8.537  -3.896
  119   2HD   LYS  20          2HD       LYS  20  10.029   9.369  -4.370
  120   1HE   LYS  20          1HE       LYS  20  11.102   7.146  -4.821
  121   2HE   LYS  20          2HE       LYS  20   9.570   6.349  -4.414
  122   1HZ   LYS  20          3HZ       LYS  20   9.927   8.268  -6.596
  123   2HZ   LYS  20          2HZ       LYS  20   9.842   6.631  -6.753
  124   3HZ   LYS  20          1HZ       LYS  20   8.532   7.468  -6.230
  125    H    ALA  21           H        ALA  21   9.672   9.301   1.178
  126    HA   ALA  21           HA       ALA  21   7.044   8.859   2.272
  127   1HB   ALA  21          3HB       ALA  21   8.816  10.023   3.508
  128   2HB   ALA  21          2HB       ALA  21   8.831  11.329   2.300
  129   3HB   ALA  21          1HB       ALA  21   7.390  11.053   3.305
  130    H    ALA  22           H        ALA  22   6.007   8.512   0.253
  131    HA   ALA  22           HA       ALA  22   5.581  10.106  -1.890
  132   1HB   ALA  22          2HB       ALA  22   4.671   7.827  -1.502
  133   2HB   ALA  22          3HB       ALA  22   3.440   8.514  -0.428
  134   3HB   ALA  22          1HB       ALA  22   3.451   8.935  -2.154
  135    H    MET  23           H        MET  23   3.454  11.113  -2.542
  136    HA   MET  23           HA       MET  23   3.183  13.631  -2.215
  137   1HB   MET  23          1HB       MET  23   0.809  11.739  -2.149
  138   2HB   MET  23          2HB       MET  23   0.681  13.486  -2.368
  139   1HG   MET  23          2HG       MET  23   2.173  13.322  -4.376
  140   2HG   MET  23          1HG       MET  23   2.138  11.564  -4.205
  141   1HE   MET  23          1HE       MET  23   0.279  14.794  -5.169
  142   2HE   MET  23          3HE       MET  23  -1.358  14.236  -5.579
  143   3HE   MET  23          2HE       MET  23  -0.853  14.304  -3.880
  144    H    GLY  24           H        GLY  24   3.756  14.754  -0.408
  145   1HA   GLY  24          1HA       GLY  24   3.137  16.102   1.373
  146   2HA   GLY  24          2HA       GLY  24   1.623  15.211   1.550
  147    H    SER  25           H        SER  25   5.123  14.434   1.719
  148    HA   SER  25           HA       SER  25   6.351  13.180   3.148
  149   1HB   SER  25          2HB       SER  25   4.760  14.781   5.180
  150   2HB   SER  25          1HB       SER  25   6.384  14.098   5.403
  151    HG   SER  25           HG       SER  25   6.427  16.334   4.772
  152    H    ALA  26           H        ALA  26   4.330  11.568   2.296
  153    HA   ALA  26           HA       ALA  26   2.633  10.402   4.176
  154   1HB   ALA  26          3HB       ALA  26   4.183   9.118   1.895
  155   2HB   ALA  26          2HB       ALA  26   2.801   8.386   2.689
  156   3HB   ALA  26          1HB       ALA  26   2.591   9.903   1.779
  157    H    LYS  27           HN       LYS  27   2.837   8.795   5.802
  158    HA   LYS  27           HA       LYS  27   5.243   8.281   7.088
  159   1HB   LYS  27          2HB       LYS  27   2.479   7.641   7.312
  160   2HB   LYS  27          1HB       LYS  27   3.265   6.098   7.216
  161   1HG   LYS  27          2HG       LYS  27   3.918   8.382   9.131
  162   2HG   LYS  27          1HG       LYS  27   2.880   7.002   9.475
  163   1HD   LYS  27          1HD       LYS  27   5.895   6.922   8.976
  164   2HD   LYS  27          2HD       LYS  27   5.061   6.653  10.507
  165   1HE   LYS  27          1HE       LYS  27   3.932   4.633   9.500
  166   2HE   LYS  27          2HE       LYS  27   4.903   4.869   8.036
  167   1HZ   LYS  27          3HZ       LYS  27   6.864   4.597   9.320
  168   2HZ   LYS  27          1HZ       LYS  27   5.988   4.359  10.698
  169   3HZ   LYS  27          2HZ       LYS  27   5.885   3.282   9.454
  170    HA   PRO  28           HA       PRO  28   6.899   5.748   3.755
  171   1HB   PRO  28          2HB       PRO  28   8.736   4.732   5.950
  172   2HB   PRO  28          1HB       PRO  28   9.153   5.171   4.270
  173   1HG   PRO  28          2HG       PRO  28   9.646   6.956   6.251
  174   2HG   PRO  28          1HG       PRO  28   8.897   7.508   4.723
  175   1HD   PRO  28          1HD       PRO  28   7.532   6.907   7.352
  176   2HD   PRO  28          2HD       PRO  28   7.298   8.291   6.239
  177    H    VAL  29           H        VAL  29   6.746   3.633   3.046
  178    HA   VAL  29           HA       VAL  29   4.749   2.030   4.485
  179    HB   VAL  29           HB       VAL  29   6.172   1.833   1.800
  180   1HG1  VAL  29          2HG1      VAL  29   3.814   0.191   2.821
  181   2HG1  VAL  29          3HG1      VAL  29   4.415   0.227   1.154
  182   3HG1  VAL  29          1HG1      VAL  29   5.437  -0.442   2.434
  183   1HG2  VAL  29          1HG2      VAL  29   3.343   2.651   2.635
  184   2HG2  VAL  29          3HG2      VAL  29   4.584   3.744   2.010
  185   3HG2  VAL  29          2HG2      VAL  29   3.876   2.495   0.956
  186    H    LYS  30           HN       LYS  30   8.128   1.953   3.593
  187    HA   LYS  30           HA       LYS  30   9.245  -0.382   3.645
  188   1HB   LYS  30          1HB       LYS  30  10.568   1.542   3.725
  189   2HB   LYS  30          2HB       LYS  30   9.894   2.044   5.268
  190   1HG   LYS  30          2HG       LYS  30  12.285   1.242   5.307
  191   2HG   LYS  30          1HG       LYS  30  11.245   0.434   6.475
  192   1HD   LYS  30          2HD       LYS  30  11.096  -1.570   4.988
  193   2HD   LYS  30          1HD       LYS  30  12.022  -0.715   3.758
  194   1HE   LYS  30          2HE       LYS  30  13.938  -0.539   5.365
  195   2HE   LYS  30          1HE       LYS  30  13.004  -1.534   6.509
  196   1HZ   LYS  30          2HZ       LYS  30  12.928  -3.238   4.778
  197   2HZ   LYS  30          3HZ       LYS  30  13.853  -2.309   3.801
  198   3HZ   LYS  30          1HZ       LYS  30  14.478  -2.875   5.218
  199    H    GLY  31           H        GLY  31   7.982  -2.013   4.588
  200   1HA   GLY  31          1HA       GLY  31   6.929  -3.293   6.123
  201   2HA   GLY  31          2HA       GLY  31   8.541  -3.293   6.845
  202    H    GLN  32           H        GLN  32   5.842  -0.926   6.735
  203    HA   GLN  32           HA       GLN  32   6.020   0.022   9.341
  204   1HB   GLN  32          1HB       GLN  32   3.221  -0.637   8.346
  205   2HB   GLN  32          2HB       GLN  32   3.775   0.694   9.359
  206   1HG   GLN  32          2HG       GLN  32   5.135   1.428   7.303
  207   2HG   GLN  32          1HG       GLN  32   4.118   0.289   6.396
  208   1HE2  GLN  32          1HE2      GLN  32   2.619   3.847   6.394
  209   2HE2  GLN  32          2HE2      GLN  32   4.308   3.367   6.340
  210    H    GLY  33           H        GLY  33   4.115  -2.580   8.364
  211   1HA   GLY  33          2HA       GLY  33   5.106  -4.718   9.898
  212   2HA   GLY  33          1HA       GLY  33   3.802  -4.010  10.878
  213    H    ALA  34           H        ALA  34   4.250  -6.521   8.755
  214    HA   ALA  34           HA       ALA  34   2.425  -6.476   6.779
  215   1HB   ALA  34          1HB       ALA  34   3.708  -8.527   7.451
  216   2HB   ALA  34          3HB       ALA  34   2.608  -8.750   8.820
  217   3HB   ALA  34          2HB       ALA  34   2.000  -8.877   7.157
  218    H    GLU  35           HN       GLU  35   1.419  -6.853  10.217
  219    HA   GLU  35           HA       GLU  35  -1.349  -7.208   9.560
  220   1HB   GLU  35          2HB       GLU  35  -0.152  -7.720  11.805
  221   2HB   GLU  35          1HB       GLU  35  -0.360  -5.994  12.156
  222   1HG   GLU  35          2HG       GLU  35  -2.881  -6.424  11.532
  223   2HG   GLU  35          1HG       GLU  35  -2.473  -8.133  11.678
  224    H    GLU  36           HN       GLU  36   0.623  -4.240  10.364
  225    HA   GLU  36           HA       GLU  36  -1.465  -2.362  10.556
  226   1HB   GLU  36          2HB       GLU  36   1.542  -2.364   9.869
  227   2HB   GLU  36          1HB       GLU  36   0.617  -0.951  10.000
  228   1HG   GLU  36          2HG       GLU  36   1.002  -3.007  12.219
  229   2HG   GLU  36          1HG       GLU  36   1.896  -1.498  12.013
  230    H    LEU  37           H        LEU  37   0.808  -3.334   7.974
  231    HA   LEU  37           HA       LEU  37  -0.079  -1.761   5.891
  232   1HB   LEU  37          2HB       LEU  37   1.327  -4.428   6.331
  233   2HB   LEU  37          1HB       LEU  37   1.034  -3.849   4.745
  234    HG   LEU  37           HG       LEU  37   2.589  -2.298   6.868
  235   1HD1  LEU  37          2HD2      LEU  37   3.536  -3.890   4.457
  236   2HD1  LEU  37          1HD2      LEU  37   4.567  -2.871   5.485
  237   3HD1  LEU  37          3HD2      LEU  37   3.782  -4.305   6.163
  238   1HD2  LEU  37          2HD1      LEU  37   1.843  -1.683   4.015
  239   2HD2  LEU  37          3HD1      LEU  37   1.774  -0.628   5.438
  240   3HD2  LEU  37          1HD1      LEU  37   3.336  -1.034   4.722
  241    H    TYR  38           HN       TYR  38  -0.927  -5.254   6.520
  242    HA   TYR  38           HA       TYR  38  -2.821  -5.531   4.598
  243   1HB   TYR  38          2HB       TYR  38  -2.139  -7.401   5.933
  244   2HB   TYR  38          1HB       TYR  38  -2.857  -6.690   7.381
  245    HD1  TYR  38           HD1      TYR  38  -4.073  -7.256   3.828
  246    HD2  TYR  38           HE2      TYR  38  -4.817  -7.810   8.047
  247    HE1  TYR  38           HD2      TYR  38  -6.307  -8.146   3.317
  248    HE2  TYR  38           HE1      TYR  38  -7.026  -8.799   7.511
  249    HH   TYR  38           HH       TYR  38  -8.112  -9.332   4.156
  250    H    LYS  39           HN       LYS  39  -3.553  -4.379   7.926
  251    HA   LYS  39           HA       LYS  39  -6.287  -3.845   7.453
  252   1HB   LYS  39          1HB       LYS  39  -4.260  -2.483   9.284
  253   2HB   LYS  39          2HB       LYS  39  -5.998  -2.161   9.320
  254   1HG   LYS  39          2HG       LYS  39  -6.372  -4.647   9.683
  255   2HG   LYS  39          1HG       LYS  39  -4.636  -4.848   9.879
  256   1HD   LYS  39          1HD       LYS  39  -6.518  -3.159  11.558
  257   2HD   LYS  39          2HD       LYS  39  -5.741  -4.679  12.039
  258   1HE   LYS  39          2HE       LYS  39  -4.296  -2.032  11.516
  259   2HE   LYS  39          1HE       LYS  39  -4.682  -2.708  13.099
  260   1HZ   LYS  39          3HZ       LYS  39  -2.967  -4.013  11.119
  261   2HZ   LYS  39          2HZ       LYS  39  -2.442  -3.164  12.438
  262   3HZ   LYS  39          1HZ       LYS  39  -3.295  -4.557  12.647
  263    H    LYS  40           HN       LYS  40  -3.442  -1.636   6.935
  264    HA   LYS  40           HA       LYS  40  -4.979   0.565   6.100
  265   1HB   LYS  40          1HB       LYS  40  -2.103  -0.345   5.724
  266   2HB   LYS  40          2HB       LYS  40  -2.718   1.188   5.149
  267   1HG   LYS  40          2HG       LYS  40  -3.188   1.998   7.327
  268   2HG   LYS  40          1HG       LYS  40  -3.198   0.374   8.021
  269   1HD   LYS  40          1HD       LYS  40  -0.727   0.195   7.631
  270   2HD   LYS  40          2HD       LYS  40  -0.722   1.827   7.006
  271   1HE   LYS  40          1HE       LYS  40   0.000   1.801   9.336
  272   2HE   LYS  40          2HE       LYS  40  -1.513   2.704   9.185
  273   1HZ   LYS  40          1HZ       LYS  40  -1.359  -0.113   9.998
  274   2HZ   LYS  40          3HZ       LYS  40  -1.430   1.147  11.056
  275   3HZ   LYS  40          2HZ       LYS  40  -2.688   0.856  10.030
  276    H    MET  41           H        MET  41  -3.246  -1.913   3.932
  277    HA   MET  41           HA       MET  41  -4.373  -0.823   1.593
  278   1HB   MET  41          1HB       MET  41  -4.232  -3.447   0.896
  279   2HB   MET  41          2HB       MET  41  -3.002  -2.201   0.742
  280   1HG   MET  41          2HG       MET  41  -3.026  -3.907   3.184
  281   2HG   MET  41          1HG       MET  41  -2.356  -4.560   1.697
  282   1HE   MET  41          1HE       MET  41  -1.151  -3.238   0.077
  283   2HE   MET  41          3HE       MET  41  -0.039  -1.914   0.479
  284   3HE   MET  41          2HE       MET  41   0.464  -3.607   0.693
  285    H    LYS  42           HN       LYS  42  -5.796  -3.299   3.797
  286    HA   LYS  42           HA       LYS  42  -8.110  -3.764   2.203
  287   1HB   LYS  42          2HB       LYS  42  -7.436  -5.171   4.082
  288   2HB   LYS  42          1HB       LYS  42  -7.723  -3.839   5.217
  289   1HG   LYS  42          1HG       LYS  42 -10.118  -3.884   4.762
  290   2HG   LYS  42          2HG       LYS  42  -9.887  -4.990   3.405
  291   1HD   LYS  42          2HD       LYS  42 -10.756  -6.136   5.432
  292   2HD   LYS  42          1HD       LYS  42  -9.232  -6.802   4.844
  293   1HE   LYS  42          1HE       LYS  42  -9.303  -6.622   7.316
  294   2HE   LYS  42          2HE       LYS  42  -7.974  -5.693   6.618
  295   1HZ   LYS  42          2HZ       LYS  42 -10.564  -4.589   7.470
  296   2HZ   LYS  42          1HZ       LYS  42  -9.147  -4.471   8.304
  297   3HZ   LYS  42          3HZ       LYS  42  -9.309  -3.723   6.845
  298    H    GLY  43           H        GLY  43  -7.446  -1.348   4.760
  299   1HA   GLY  43          2HA       GLY  43  -9.927  -0.061   4.863
  300   2HA   GLY  43          1HA       GLY  43  -8.352   0.646   5.256
  301    H    TYR  44           H        TYR  44  -7.032   0.697   2.860
  302    HA   TYR  44           HA       TYR  44  -8.040   2.951   1.492
  303   1HB   TYR  44          2HB       TYR  44  -5.942   0.831   0.888
  304   2HB   TYR  44          1HB       TYR  44  -6.341   2.086  -0.257
  305    HD1  TYR  44           HD2      TYR  44  -6.304   4.583   0.702
  306    HD2  TYR  44           HD1      TYR  44  -3.952   1.259   2.115
  307    HE1  TYR  44           HE2      TYR  44  -4.459   6.121   1.412
  308    HE2  TYR  44           HE1      TYR  44  -2.213   2.826   2.903
  309    HH   TYR  44           HH       TYR  44  -1.383   4.995   2.493
  310    H    ALA  45           H        ALA  45  -7.877  -0.525   0.458
  311    HA   ALA  45           HA       ALA  45  -9.270  -0.233  -1.967
  312   1HB   ALA  45          3HB       ALA  45  -8.029  -2.263  -1.320
  313   2HB   ALA  45          1HB       ALA  45  -9.231  -2.615  -0.062
  314   3HB   ALA  45          2HB       ALA  45  -9.697  -2.656  -1.775
  315    H    ASP  46           HN       ASP  46 -10.588  -0.979   1.283
  316    HA   ASP  46           HA       ASP  46 -13.324  -1.150   0.493
  317   1HB   ASP  46          2HB       ASP  46 -12.524  -2.060   2.596
  318   2HB   ASP  46          1HB       ASP  46 -11.980  -0.465   3.135
  319    H    GLY  47           H        GLY  47 -11.228   1.607   1.332
  320   1HA   GLY  47          1HA       GLY  47 -11.555   3.788   0.611
  321   2HA   GLY  47          2HA       GLY  47 -13.280   3.502   0.341
  322    H    SER  48           H        SER  48 -11.805   2.377   3.383
  323    HA   SER  48           HA       SER  48 -13.303   4.414   4.918
  324   1HB   SER  48          2HB       SER  48 -12.181   2.745   6.692
  325   2HB   SER  48          1HB       SER  48 -13.718   2.357   5.892
  326    HG   SER  48           HG       SER  48 -12.742   0.918   4.677
  327    H    TYR  49           H        TYR  49 -10.093   2.849   4.681
  328    HA   TYR  49           HA       TYR  49  -8.824   5.050   6.168
  329   1HB   TYR  49          2HB       TYR  49  -8.127   2.599   6.373
  330   2HB   TYR  49          1HB       TYR  49  -7.440   2.743   4.757
  331    HD1  TYR  49           HD1      TYR  49  -7.423   4.380   8.132
  332    HD2  TYR  49           HD2      TYR  49  -5.183   3.477   4.561
  333    HE1  TYR  49           HE1      TYR  49  -5.459   5.543   9.071
  334    HE2  TYR  49           HE2      TYR  49  -3.206   4.608   5.514
  335    HH   TYR  49           HH       TYR  49  -2.295   5.601   7.480
  336    H    GLY  50           H        GLY  50  -9.887   6.488   4.335
  337   1HA   GLY  50          1HA       GLY  50  -7.671   7.332   2.671
  338   2HA   GLY  50          2HA       GLY  50  -8.934   6.566   1.728
  339    H    GLY  51           H        GLY  51  -7.754   9.449   2.303
  340   1HA   GLY  51          1HA       GLY  51 -10.269  10.881   1.866
  341   2HA   GLY  51          2HA       GLY  51  -9.211  11.424   3.193
  342    H    GLU  52           HN       GLU  52  -9.847  12.757   0.638
  343    HA   GLU  52           HA       GLU  52  -8.979  13.602  -1.296
  344   1HB   GLU  52          1HB       GLU  52  -7.026  14.433   0.893
  345   2HB   GLU  52          2HB       GLU  52  -7.156  15.198  -0.705
  346   1HG   GLU  52          1HG       GLU  52  -8.410  16.533   0.801
  347   2HG   GLU  52          2HG       GLU  52  -9.578  15.690  -0.219
  348    H    ARG  53           HN       ARG  53  -5.677  13.421  -0.280
  349    HA   ARG  53           HA       ARG  53  -4.669  12.592  -2.724
  350   1HB   ARG  53          2HB       ARG  53  -2.577  12.179  -1.584
  351   2HB   ARG  53          1HB       ARG  53  -3.343  13.634  -0.935
  352   1HG   ARG  53          1HG       ARG  53  -4.160  12.258   1.032
  353   2HG   ARG  53          2HG       ARG  53  -3.259  10.874   0.371
  354   1HD   ARG  53          1HD       ARG  53  -1.165  12.169   0.497
  355   2HD   ARG  53          2HD       ARG  53  -2.040  13.516   1.247
  356    HE   ARG  53           HE       ARG  53  -2.648  11.260   2.784
  357   1HH1  ARG  53          1HH1      ARG  53   0.332  12.930   1.864
  358   2HH1  ARG  53          2HH1      ARG  53   1.058  12.857   3.436
  359   1HH2  ARG  53          2HH2      ARG  53  -1.566  10.821   4.775
  360   2HH2  ARG  53          1HH2      ARG  53   0.035  11.432   5.046
  361    H    LYS  54           HN       LYS  54  -5.853  10.579  -0.087
  362    HA   LYS  54           HA       LYS  54  -4.634   8.136  -0.944
  363   1HB   LYS  54          2HB       LYS  54  -7.044   8.664   0.780
  364   2HB   LYS  54          1HB       LYS  54  -6.194   7.135   0.703
  365   1HG   LYS  54          2HG       LYS  54  -4.061   8.419   1.333
  366   2HG   LYS  54          1HG       LYS  54  -5.066   9.816   1.696
  367   1HD   LYS  54          2HD       LYS  54  -6.071   8.781   3.588
  368   2HD   LYS  54          1HD       LYS  54  -5.514   7.159   3.118
  369   1HE   LYS  54          2HE       LYS  54  -3.198   7.787   3.474
  370   2HE   LYS  54          1HE       LYS  54  -3.664   9.445   3.911
  371   1HZ   LYS  54          2HZ       LYS  54  -4.418   6.993   5.341
  372   2HZ   LYS  54          1HZ       LYS  54  -3.244   8.055   5.797
  373   3HZ   LYS  54          3HZ       LYS  54  -4.825   8.528   5.786
  374    H    ALA  55           H        ALA  55  -7.267   9.862  -2.275
  375    HA   ALA  55           HA       ALA  55  -9.039   7.890  -3.135
  376   1HB   ALA  55          1HB       ALA  55  -8.032  10.315  -4.678
  377   2HB   ALA  55          2HB       ALA  55  -9.500   9.385  -5.051
  378   3HB   ALA  55          3HB       ALA  55  -9.385  10.280  -3.523
  379    H    MET  56           H        MET  56  -5.835   8.733  -4.479
  380    HA   MET  56           HA       MET  56  -5.918   7.248  -6.874
  381   1HB   MET  56          2HB       MET  56  -3.581   7.883  -5.004
  382   2HB   MET  56          1HB       MET  56  -3.445   7.290  -6.666
  383   1HG   MET  56          2HG       MET  56  -4.685   9.306  -7.461
  384   2HG   MET  56          1HG       MET  56  -4.693   9.928  -5.803
  385   1HE   MET  56          2HE       MET  56  -3.737  11.672  -8.156
  386   2HE   MET  56          3HE       MET  56  -3.638  12.205  -6.457
  387   3HE   MET  56          1HE       MET  56  -2.220  12.352  -7.522
  388    H    MET  57           H        MET  57  -4.609   6.253  -3.634
  389    HA   MET  57           HA       MET  57  -4.056   3.576  -4.358
  390   1HB   MET  57          1HB       MET  57  -4.453   5.144  -1.807
  391   2HB   MET  57          2HB       MET  57  -4.217   3.409  -1.771
  392   1HG   MET  57          2HG       MET  57  -2.128   3.513  -2.935
  393   2HG   MET  57          1HG       MET  57  -2.293   5.246  -3.239
  394   1HE   MET  57          1HE       MET  57  -3.289   6.428  -0.550
  395   2HE   MET  57          3HE       MET  57  -1.838   6.744   0.386
  396   3HE   MET  57          2HE       MET  57  -1.888   7.162  -1.343
  397    H    THR  58           H        THR  58  -6.839   5.177  -2.791
  398    HA   THR  58           HA       THR  58  -8.389   2.978  -2.122
  399    HB   THR  58           HB       THR  58  -9.344   5.635  -3.263
  400    HG1  THR  58           HG1      THR  58  -8.014   5.832  -1.426
  401   1HG2  THR  58          3HG2      THR  58 -10.846   3.543  -1.675
  402   2HG2  THR  58          1HG2      THR  58 -11.372   5.227  -1.869
  403   3HG2  THR  58          2HG2      THR  58 -11.223   4.179  -3.287
  404    H    ASN  59           H        ASN  59  -8.225   4.627  -5.337
  405    HA   ASN  59           HA       ASN  59  -9.954   2.641  -6.547
  406   1HB   ASN  59          1HB       ASN  59  -9.521   5.000  -7.379
  407   2HB   ASN  59          2HB       ASN  59  -7.978   4.419  -8.010
  408   1HD2  ASN  59          1HD2      ASN  59 -10.376   2.112 -10.106
  409   2HD2  ASN  59          2HD2      ASN  59  -9.488   1.605  -8.681
  410    H    ALA  60           H        ALA  60  -6.364   3.103  -6.423
  411    HA   ALA  60           HA       ALA  60  -5.681   1.088  -8.246
  412   1HB   ALA  60          3HB       ALA  60  -4.112   2.807  -7.365
  413   2HB   ALA  60          2HB       ALA  60  -4.048   1.926  -5.822
  414   3HB   ALA  60          1HB       ALA  60  -3.458   1.161  -7.300
  415    H    VAL  61           H        VAL  61  -5.627   0.714  -4.623
  416    HA   VAL  61           HA       VAL  61  -5.117  -2.117  -4.886
  417    HB   VAL  61           HB       VAL  61  -5.776  -2.215  -2.453
  418   1HG1  VAL  61          1HG2      VAL  61  -3.456  -2.129  -3.194
  419   2HG1  VAL  61          3HG2      VAL  61  -3.522  -0.356  -3.301
  420   3HG1  VAL  61          2HG2      VAL  61  -3.675  -1.162  -1.724
  421   1HG2  VAL  61          3HG1      VAL  61  -7.072   0.086  -2.611
  422   2HG2  VAL  61          2HG1      VAL  61  -6.141  -0.361  -1.164
  423   3HG2  VAL  61          1HG1      VAL  61  -5.447   0.761  -2.327
  424    H    LYS  62           HN       LYS  62  -8.119  -0.265  -5.023
  425    HA   LYS  62           HA       LYS  62  -9.864  -2.443  -4.365
  426   1HB   LYS  62          1HB       LYS  62 -10.658  -0.267  -4.261
  427   2HB   LYS  62          2HB       LYS  62 -10.225   0.125  -5.940
  428   1HG   LYS  62          1HG       LYS  62 -11.923  -1.436  -6.771
  429   2HG   LYS  62          2HG       LYS  62 -12.351  -1.884  -5.115
  430   1HD   LYS  62          2HD       LYS  62 -12.651   0.890  -6.399
  431   2HD   LYS  62          1HD       LYS  62 -13.930  -0.296  -6.129
  432   1HE   LYS  62          2HE       LYS  62 -14.281   1.059  -4.308
  433   2HE   LYS  62          1HE       LYS  62 -13.210  -0.148  -3.593
  434   1HZ   LYS  62          1HZ       LYS  62 -11.384   1.457  -4.027
  435   2HZ   LYS  62          2HZ       LYS  62 -12.500   2.537  -4.568
  436   3HZ   LYS  62          3HZ       LYS  62 -12.536   2.019  -3.003
  437    H    LYS  63           HN       LYS  63  -7.835  -1.821  -7.193
  438    HA   LYS  63           HA       LYS  63  -9.447  -3.473  -8.945
  439   1HB   LYS  63          2HB       LYS  63  -6.504  -2.795  -9.215
  440   2HB   LYS  63          1HB       LYS  63  -7.592  -3.380 -10.472
  441   1HG   LYS  63          2HG       LYS  63  -7.568  -0.674  -9.113
  442   2HG   LYS  63          1HG       LYS  63  -7.286  -1.022 -10.803
  443   1HD   LYS  63          2HD       LYS  63  -9.943  -1.259  -9.292
  444   2HD   LYS  63          1HD       LYS  63  -9.490  -0.001 -10.426
  445   1HE   LYS  63          1HE       LYS  63  -9.866  -2.947 -11.154
  446   2HE   LYS  63          2HE       LYS  63 -10.990  -1.628 -11.495
  447   1HZ   LYS  63          2HZ       LYS  63  -9.290  -0.616 -12.845
  448   2HZ   LYS  63          1HZ       LYS  63  -8.260  -1.868 -12.542
  449   3HZ   LYS  63          3HZ       LYS  63  -9.654  -2.132 -13.378
  450    H    ALA  64           H        ALA  64  -7.303  -4.122  -6.306
  451    HA   ALA  64           HA       ALA  64  -6.532  -6.847  -7.232
  452   1HB   ALA  64          2HB       ALA  64  -4.856  -5.181  -6.308
  453   2HB   ALA  64          1HB       ALA  64  -5.688  -5.325  -4.746
  454   3HB   ALA  64          3HB       ALA  64  -4.928  -6.744  -5.496
  455    H    SER  65           H        SER  65  -6.550  -8.390  -5.160
  456    HA   SER  65           HA       SER  65  -9.221  -8.191  -3.827
  457   1HB   SER  65          1HB       SER  65  -9.512 -10.604  -4.181
  458   2HB   SER  65          2HB       SER  65  -9.399  -9.727  -5.717
  459    HG   SER  65           HG       SER  65  -8.073 -11.570  -5.766
  460    H    ASP  66           HN       ASP  66  -9.346  -9.678  -1.924
  461    HA   ASP  66           HA       ASP  66  -7.635  -8.920   0.030
  462   1HB   ASP  66          1HB       ASP  66  -9.787 -10.051   0.424
  463   2HB   ASP  66          2HB       ASP  66  -9.101 -11.590  -0.127
  464    H    GLU  67           HN       GLU  67  -7.177 -11.922  -1.883
  465    HA   GLU  67           HA       GLU  67  -4.956 -12.978  -0.533
  466   1HB   GLU  67          2HB       GLU  67  -6.169 -14.083  -2.463
  467   2HB   GLU  67          1HB       GLU  67  -5.386 -12.929  -3.548
  468   1HG   GLU  67          2HG       GLU  67  -3.157 -13.896  -2.308
  469   2HG   GLU  67          1HG       GLU  67  -4.224 -15.272  -2.056
  470    H    GLU  68           HN       GLU  68  -5.038 -10.597  -3.196
  471    HA   GLU  68           HA       GLU  68  -2.293 -10.234  -3.531
  472   1HB   GLU  68          2HB       GLU  68  -4.554  -8.236  -3.972
  473   2HB   GLU  68          1HB       GLU  68  -3.017  -8.385  -4.738
  474   1HG   GLU  68          2HG       GLU  68  -5.408 -10.200  -5.098
  475   2HG   GLU  68          1HG       GLU  68  -4.683  -9.155  -6.316
  476    H    LEU  69           H        LEU  69  -4.792  -8.331  -1.810
  477    HA   LEU  69           HA       LEU  69  -3.101  -6.339  -0.753
  478   1HB   LEU  69          1HB       LEU  69  -5.521  -7.501   0.680
  479   2HB   LEU  69          2HB       LEU  69  -4.769  -5.929   0.955
  480    HG   LEU  69           HG       LEU  69  -6.349  -6.833  -1.477
  481   1HD1  LEU  69          3HD2      LEU  69  -7.600  -6.092   0.536
  482   2HD1  LEU  69          2HD2      LEU  69  -6.743  -4.535   0.459
  483   3HD1  LEU  69          1HD2      LEU  69  -7.835  -5.017  -0.856
  484   1HD2  LEU  69          1HD1      LEU  69  -4.776  -4.246  -1.158
  485   2HD2  LEU  69          3HD1      LEU  69  -4.501  -5.509  -2.379
  486   3HD2  LEU  69          2HD1      LEU  69  -5.997  -4.570  -2.404
  487    H    LYS  70           HN       LYS  70  -3.993  -9.464   0.795
  488    HA   LYS  70           HA       LYS  70  -2.440  -9.090   3.150
  489   1HB   LYS  70          1HB       LYS  70  -3.273 -11.602   1.648
  490   2HB   LYS  70          2HB       LYS  70  -2.450 -11.631   3.218
  491   1HG   LYS  70          2HG       LYS  70  -4.262 -10.306   4.230
  492   2HG   LYS  70          1HG       LYS  70  -5.139 -10.302   2.693
  493   1HD   LYS  70          2HD       LYS  70  -4.491 -12.705   4.458
  494   2HD   LYS  70          1HD       LYS  70  -6.075 -11.968   4.160
  495   1HE   LYS  70          1HE       LYS  70  -5.711 -12.546   1.674
  496   2HE   LYS  70          2HE       LYS  70  -4.357 -13.562   2.209
  497   1HZ   LYS  70          2HZ       LYS  70  -5.936 -14.731   3.615
  498   2HZ   LYS  70          1HZ       LYS  70  -7.165 -13.802   3.012
  499   3HZ   LYS  70          3HZ       LYS  70  -6.339 -14.822   2.017
  500    H    ALA  71           H        ALA  71  -1.659 -10.650   0.003
  501    HA   ALA  71           HA       ALA  71   1.010 -11.303   0.737
  502   1HB   ALA  71          3HB       ALA  71  -0.263 -12.370  -1.113
  503   2HB   ALA  71          2HB       ALA  71  -0.191 -10.848  -2.029
  504   3HB   ALA  71          1HB       ALA  71   1.303 -11.738  -1.656
  505    H    LEU  72           H        LEU  72  -0.370  -8.252  -0.497
  506    HA   LEU  72           HA       LEU  72   2.136  -7.138  -1.378
  507   1HB   LEU  72          2HB       LEU  72  -0.548  -6.585  -1.713
  508   2HB   LEU  72          1HB       LEU  72  -0.132  -5.390  -0.524
  509    HG   LEU  72           HG       LEU  72   1.206  -5.922  -3.231
  510   1HD1  LEU  72          1HD2      LEU  72  -0.794  -3.800  -2.352
  511   2HD1  LEU  72          3HD2      LEU  72   0.048  -3.798  -3.918
  512   3HD1  LEU  72          2HD2      LEU  72  -1.074  -5.111  -3.511
  513   1HD2  LEU  72          1HD1      LEU  72   1.616  -3.579  -1.341
  514   2HD2  LEU  72          3HD1      LEU  72   2.811  -4.844  -1.720
  515   3HD2  LEU  72          2HD1      LEU  72   2.266  -3.727  -2.984
  516    H    ALA  73           H        ALA  73   0.027  -6.799   1.502
  517    HA   ALA  73           HA       ALA  73   1.756  -5.259   3.096
  518   1HB   ALA  73          3HB       ALA  73  -0.198  -7.467   3.902
  519   2HB   ALA  73          1HB       ALA  73   0.506  -6.259   4.984
  520   3HB   ALA  73          2HB       ALA  73  -0.576  -5.749   3.669
  521    H    ASP  74           HN       ASP  74   1.531  -8.865   2.831
  522    HA   ASP  74           HA       ASP  74   3.560  -9.470   4.670
  523   1HB   ASP  74          1HB       ASP  74   2.004 -11.135   3.714
  524   2HB   ASP  74          2HB       ASP  74   2.807 -10.985   2.140
  525    H    TYR  75           H        TYR  75   3.851  -9.084   1.060
  526    HA   TYR  75           HA       TYR  75   6.604  -9.523   0.896
  527   1HB   TYR  75          2HB       TYR  75   5.109  -9.445  -1.016
  528   2HB   TYR  75          1HB       TYR  75   4.773  -7.733  -0.751
  529    HD1  TYR  75           HD2      TYR  75   7.433 -10.185  -1.672
  530    HD2  TYR  75           HD1      TYR  75   6.281  -6.029  -1.578
  531    HE1  TYR  75           HE2      TYR  75   9.471  -9.591  -2.942
  532    HE2  TYR  75           HE1      TYR  75   8.335  -5.443  -2.838
  533    HH   TYR  75           HH       TYR  75  10.732  -7.878  -3.843
  534    H    MET  76           H        MET  76   4.891  -6.354   1.233
  535    HA   MET  76           HA       MET  76   7.298  -4.799   1.399
  536   1HB   MET  76          1HB       MET  76   4.483  -4.341   2.391
  537   2HB   MET  76          2HB       MET  76   5.745  -3.089   2.391
  538   1HG   MET  76          1HG       MET  76   5.998  -3.350  -0.073
  539   2HG   MET  76          2HG       MET  76   4.699  -4.539  -0.085
  540   1HE   MET  76          3HE       MET  76   2.457  -3.523   1.663
  541   2HE   MET  76          2HE       MET  76   3.432  -2.282   2.489
  542   3HE   MET  76          1HE       MET  76   2.022  -1.795   1.535
  543    H    SER  77           H        SER  77   5.565  -6.673   3.841
  544    HA   SER  77           HA       SER  77   7.092  -5.507   6.060
  545   1HB   SER  77          1HB       SER  77   4.735  -6.419   6.198
  546   2HB   SER  77          2HB       SER  77   5.443  -8.037   6.023
  547    HG   SER  77           HG       SER  77   6.797  -7.407   7.865
  548    H    LYS  78           HN       LYS  78   8.234  -7.326   3.547
  549    HA   LYS  78           HA       LYS  78  10.342  -8.590   5.166
  550   1HB   LYS  78          2HB       LYS  78   8.634  -9.966   3.025
  551   2HB   LYS  78          1HB       LYS  78  10.122 -10.615   3.731
  552   1HG   LYS  78          2HG       LYS  78   9.039 -10.633   5.972
  553   2HG   LYS  78          1HG       LYS  78   7.534 -10.044   5.238
  554   1HD   LYS  78          1HD       LYS  78   7.449 -12.016   3.752
  555   2HD   LYS  78          2HD       LYS  78   8.899 -12.677   4.527
  556   1HE   LYS  78          1HE       LYS  78   6.256 -12.042   5.937
  557   2HE   LYS  78          2HE       LYS  78   6.766 -13.652   5.409
  558   1HZ   LYS  78          2HZ       LYS  78   8.646 -13.464   6.884
  559   2HZ   LYS  78          3HZ       LYS  78   8.140 -11.979   7.392
  560   3HZ   LYS  78          1HZ       LYS  78   7.226 -13.312   7.706
  561    H    LEU  79           H        LEU  79  10.559  -6.119   4.041
  562    HA   LEU  79           HA       LEU  79  12.060  -6.372   1.572
  563   1HB   LEU  79          2HB       LEU  79   9.661  -6.047   0.956
  564   2HB   LEU  79          1HB       LEU  79   9.548  -4.760   2.171
  565    HG   LEU  79           HG       LEU  79  11.220  -3.490   0.937
  566   1HD1  LEU  79          1HD1      LEU  79  10.721  -5.658  -1.165
  567   2HD1  LEU  79          3HD1      LEU  79  11.540  -4.120  -1.515
  568   3HD1  LEU  79          2HD1      LEU  79  12.275  -5.276  -0.393
  569   1HD2  LEU  79          2HD2      LEU  79   8.816  -3.013   0.755
  570   2HD2  LEU  79          3HD2      LEU  79   9.591  -2.726  -0.808
  571   3HD2  LEU  79          1HD2      LEU  79   8.654  -4.212  -0.550
  572    HHA  HEC   1           HHA      HEM   1   1.361   5.446   3.229
  573    HHB  HEC   1           HHB      HEM   1  -0.332   0.090   0.190
  574    HHC  HEC   1           HHC      HEM   1   0.852   3.090  -5.342
  575    HHD  HEC   1           HHD      HEM   1   0.943   8.675  -2.206
  576   1HMA  HEC   1          1HMA      HEM   1  -0.235   0.460   3.992
  577   2HMA  HEC   1          2HMA      HEM   1   0.539  -0.361   2.622
  578   3HMA  HEC   1          3HMA      HEM   1  -1.171   0.125   2.531
  579   1HAA  HEC   1          1HAA      HEM   1   1.738   3.654   4.528
  580   2HAA  HEC   1          2HAA      HEM   1   1.003   2.116   4.938
  581   1HBA  HEC   1          1HBA      HEM   1  -1.180   3.079   5.190
  582   2HBA  HEC   1          2HBA      HEM   1  -0.706   4.578   4.421
  583   1HMB  HEC   1          1HMB      HEM   1   0.390  -1.589  -1.973
  584   2HMB  HEC   1          2HMB      HEM   1  -1.263  -1.103  -1.516
  585   3HMB  HEC   1          3HMB      HEM   1  -0.897  -1.495  -3.190
  586    HAB  HEC   1           HAB      HEM   1  -0.448  -0.464  -5.055
  587   1HBB  HEC   1          1HBB      HEM   1  -0.385   0.282  -7.088
  588   2HBB  HEC   1          2HBB      HEM   1   0.790   1.539  -6.809
  589   3HBB  HEC   1          3HBB      HEM   1  -0.879   1.723  -6.197
  590   1HMC  HEC   1          1HMC      HEM   1   1.093   6.425  -7.085
  591   2HMC  HEC   1          2HMC      HEM   1   1.994   4.939  -6.743
  592   3HMC  HEC   1          3HMC      HEM   1   0.214   4.919  -6.811
  593    HAC  HEC   1           HAC      HEM   1   2.025   8.925  -4.140
  594   1HBC  HEC   1          1HBC      HEM   1   0.148   8.389  -6.467
  595   2HBC  HEC   1          2HBC      HEM   1  -0.219   9.294  -4.984
  596   3HBC  HEC   1          3HBC      HEM   1   0.986   9.914  -6.145
  597   1HMD  HEC   1          1HMD      HEM   1   0.228  10.301   1.164
  598   2HMD  HEC   1          2HMD      HEM   1  -0.542   9.884  -0.374
  599   3HMD  HEC   1          3HMD      HEM   1   1.211  10.172  -0.292
  600   1HAD  HEC   1          1HAD      HEM   1  -1.051   7.932   3.025
  601   2HAD  HEC   1          2HAD      HEM   1   0.159   9.170   3.015
  602   1HBD  HEC   1          1HBD      HEM   1   1.666   7.443   4.341
  603   2HBD  HEC   1          2HBD      HEM   1   0.160   6.582   4.584
   
  No H/Q in entry =         603
  Start of MODEL   22
    1   1H    ALA   1          3H        ALA   1  -0.225 -10.325  -9.058
    2   2H    ALA   1          2H        ALA   1  -1.115 -11.455  -9.896
    3   3H    ALA   1          1H        ALA   1  -1.565 -10.982  -8.368
    4    HA   ALA   1           HA       ALA   1  -0.574 -13.050  -8.142
    5   1HB   ALA   1          3HB       ALA   1   0.715 -13.066 -10.239
    6   2HB   ALA   1          1HB       ALA   1   1.829 -11.847  -9.577
    7   3HB   ALA   1          2HB       ALA   1   1.741 -13.458  -8.846
    8    H    ASP   2           HN       ASP   2  -0.068 -13.224  -6.104
    9    HA   ASP   2           HA       ASP   2   0.050 -12.125  -3.974
   10   1HB   ASP   2          2HB       ASP   2   1.949 -13.330  -3.103
   11   2HB   ASP   2          1HB       ASP   2   1.093 -14.312  -4.290
   12    H    GLY   3           H        GLY   3   0.092  -9.739  -4.640
   13   1HA   GLY   3          2HA       GLY   3   0.888  -7.722  -3.988
   14   2HA   GLY   3          1HA       GLY   3   2.211  -8.505  -3.123
   15    H    ALA   4           H        ALA   4   3.606  -9.713  -5.181
   16    HA   ALA   4           HA       ALA   4   5.319  -7.739  -6.053
   17   1HB   ALA   4          2HB       ALA   4   5.871 -10.140  -5.996
   18   2HB   ALA   4          1HB       ALA   4   4.789 -10.439  -7.374
   19   3HB   ALA   4          3HB       ALA   4   6.248  -9.446  -7.586
   20    H    ALA   5           H        ALA   5   2.597  -9.107  -7.980
   21    HA   ALA   5           HA       ALA   5   3.294  -7.559 -10.328
   22   1HB   ALA   5          2HB       ALA   5   1.836  -9.565 -10.408
   23   2HB   ALA   5          3HB       ALA   5   0.578  -8.646  -9.535
   24   3HB   ALA   5          1HB       ALA   5   1.087  -8.140 -11.155
   25    H    LEU   6           H        LEU   6   1.019  -6.980  -7.564
   26    HA   LEU   6           HA       LEU   6  -0.307  -4.718  -8.471
   27   1HB   LEU   6          2HB       LEU   6   0.386  -6.027  -5.823
   28   2HB   LEU   6          1HB       LEU   6  -0.449  -4.515  -5.933
   29    HG   LEU   6           HG       LEU   6  -2.235  -5.527  -7.252
   30   1HD1  LEU   6          2HD2      LEU   6  -0.680  -8.137  -7.022
   31   2HD1  LEU   6          3HD2      LEU   6  -2.395  -8.020  -7.468
   32   3HD1  LEU   6          1HD2      LEU   6  -1.183  -7.295  -8.517
   33   1HD2  LEU   6          1HD1      LEU   6  -2.232  -5.597  -4.728
   34   2HD2  LEU   6          3HD1      LEU   6  -3.178  -6.889  -5.499
   35   3HD2  LEU   6          2HD1      LEU   6  -1.565  -7.238  -4.817
   36    H    TYR   7           H        TYR   7   2.699  -5.206  -6.616
   37    HA   TYR   7           HA       TYR   7   3.352  -2.665  -5.910
   38   1HB   TYR   7          1HB       TYR   7   4.593  -4.841  -5.436
   39   2HB   TYR   7          2HB       TYR   7   5.446  -4.585  -6.960
   40    HD1  TYR   7           HD1      TYR   7   4.711  -3.173  -3.619
   41    HD2  TYR   7           HD2      TYR   7   7.210  -2.879  -7.101
   42    HE1  TYR   7           HE1      TYR   7   5.906  -1.242  -2.588
   43    HE2  TYR   7           HE2      TYR   7   8.390  -0.958  -6.082
   44    HH   TYR   7           HH       TYR   7   7.588   0.320  -2.889
   45    H    LYS   8           HN       LYS   8   3.453  -3.886  -9.246
   46    HA   LYS   8           HA       LYS   8   5.236  -1.970 -10.351
   47   1HB   LYS   8          2HB       LYS   8   2.748  -3.238 -11.558
   48   2HB   LYS   8          1HB       LYS   8   3.990  -2.380 -12.473
   49   1HG   LYS   8          1HG       LYS   8   4.542  -4.893 -10.818
   50   2HG   LYS   8          2HG       LYS   8   4.141  -4.880 -12.536
   51   1HD   LYS   8          1HD       LYS   8   6.164  -3.517 -13.017
   52   2HD   LYS   8          2HD       LYS   8   6.556  -3.475 -11.291
   53   1HE   LYS   8          1HE       LYS   8   7.915  -5.164 -12.365
   54   2HE   LYS   8          2HE       LYS   8   6.785  -5.933 -11.239
   55   1HZ   LYS   8          2HZ       LYS   8   6.431  -5.739 -14.153
   56   2HZ   LYS   8          1HZ       LYS   8   6.925  -7.079 -13.330
   57   3HZ   LYS   8          3HZ       LYS   8   5.404  -6.492 -13.104
   58    H    SER   9           H        SER   9   1.840  -1.674  -9.339
   59    HA   SER   9           HA       SER   9   1.678   1.112 -10.401
   60   1HB   SER   9          1HB       SER   9  -0.404  -0.625  -9.018
   61   2HB   SER   9          2HB       SER   9  -0.679   0.937  -9.812
   62    HG   SER   9           HG       SER   9   0.372  -1.359 -11.125
   63    H    CYS  10           H        CYS  10   3.531   0.421  -8.248
   64    HA   CYS  10           HA       CYS  10   2.500   2.134  -6.036
   65   1HB   CYS  10          1HB       CYS  10   2.721  -0.536  -6.005
   66   2HB   CYS  10          2HB       CYS  10   4.384  -0.127  -5.512
   67    H    ILE  11           H        ILE  11   5.214   0.990  -7.903
   68    HA   ILE  11           HA       ILE  11   7.399   2.303  -6.803
   69    HB   ILE  11           HB       ILE  11   6.441   1.722  -9.657
   70   1HG1  ILE  11          1HG1      ILE  11   8.645   0.376  -8.035
   71   2HG1  ILE  11          2HG1      ILE  11   6.967  -0.182  -8.084
   72   1HG2  ILE  11          3HG2      ILE  11   8.071   3.559  -9.921
   73   2HG2  ILE  11          1HG2      ILE  11   9.291   2.594  -9.060
   74   3HG2  ILE  11          2HG2      ILE  11   8.640   2.059 -10.611
   75   1HD1  ILE  11          2HD1      ILE  11   7.171  -0.436 -10.582
   76   2HD1  ILE  11          3HD1      ILE  11   8.919  -0.146 -10.405
   77   3HD1  ILE  11          1HD1      ILE  11   8.169  -1.535  -9.610
   78    H    GLY  12           H        GLY  12   8.460   4.263  -7.320
   79   1HA   GLY  12          2HA       GLY  12   8.506   6.536  -7.866
   80   2HA   GLY  12          1HA       GLY  12   6.871   6.445  -8.528
   81    H    CYS  13           H        CYS  13   5.275   5.537  -6.309
   82    HA   CYS  13           HA       CYS  13   5.456   7.967  -4.631
   83   1HB   CYS  13          2HB       CYS  13   3.518   5.653  -4.740
   84   2HB   CYS  13          1HB       CYS  13   3.526   6.886  -3.479
   85    H    HIS  14           HN       HIS  14   5.844   4.433  -4.421
   86    HA   HIS  14           HA       HIS  14   7.184   4.711  -1.765
   87   1HB   HIS  14          2HB       HIS  14   5.947   2.430  -3.293
   88   2HB   HIS  14          1HB       HIS  14   6.762   2.221  -1.741
   89    HD1  HIS  14           HD1      HIS  14   5.801   3.906   0.273
   90    HD2  HIS  14           HD2      HIS  14   3.397   3.539  -3.099
   91    HE1  HIS  14           HE1      HIS  14   3.480   4.648   0.947
   92    H    GLY  15           H        GLY  15   8.115   4.947  -4.835
   93   1HA   GLY  15          2HA       GLY  15  10.312   5.245  -5.571
   94   2HA   GLY  15          1HA       GLY  15  10.914   4.493  -4.070
   95    H    ALA  16           H        ALA  16  11.372   2.373  -4.069
   96    HA   ALA  16           HA       ALA  16  10.144   0.490  -5.955
   97   1HB   ALA  16          1HB       ALA  16  12.208   1.212  -7.139
   98   2HB   ALA  16          2HB       ALA  16  13.171   0.815  -5.697
   99   3HB   ALA  16          3HB       ALA  16  12.332  -0.471  -6.593
  100    H    ASP  17           HN       ASP  17   9.888   1.253  -3.135
  101    HA   ASP  17           HA       ASP  17  10.347  -1.261  -1.807
  102   1HB   ASP  17          2HB       ASP  17  11.840  -0.146  -0.035
  103   2HB   ASP  17          1HB       ASP  17  12.595  -0.517  -1.579
  104    H    GLY  18           H        GLY  18  10.462   1.631   0.061
  105   1HA   GLY  18          2HA       GLY  18   7.884   2.627   0.095
  106   2HA   GLY  18          1HA       GLY  18   7.853   1.243   1.209
  107    H    SER  19           H        SER  19  10.726   3.297   0.659
  108    HA   SER  19           HA       SER  19  10.754   4.006   3.513
  109   1HB   SER  19          2HB       SER  19  12.812   4.699   1.386
  110   2HB   SER  19          1HB       SER  19  12.997   4.678   3.147
  111    HG   SER  19           HG       SER  19  12.646   2.497   1.373
  112    H    LYS  20           HN       LYS  20  10.642   5.608   0.302
  113    HA   LYS  20           HA       LYS  20  10.996   8.226   1.337
  114   1HB   LYS  20          1HB       LYS  20  10.640   9.007  -0.833
  115   2HB   LYS  20          2HB       LYS  20  11.424   7.440  -1.036
  116   1HG   LYS  20          2HG       LYS  20   9.217   6.416  -1.555
  117   2HG   LYS  20          1HG       LYS  20   8.417   7.967  -1.364
  118   1HD   LYS  20          1HD       LYS  20  10.731   7.883  -3.287
  119   2HD   LYS  20          2HD       LYS  20   9.232   7.073  -3.742
  120   1HE   LYS  20          2HE       LYS  20   9.276   9.361  -4.592
  121   2HE   LYS  20          1HE       LYS  20   7.915   9.069  -3.504
  122   1HZ   LYS  20          1HZ       LYS  20  10.410  10.387  -2.697
  123   2HZ   LYS  20          3HZ       LYS  20   9.024  11.168  -3.135
  124   3HZ   LYS  20          2HZ       LYS  20   9.029  10.217  -1.798
  125    H    ALA  21           H        ALA  21   9.550   9.973   1.495
  126    HA   ALA  21           HA       ALA  21   6.814   9.324   2.348
  127   1HB   ALA  21          1HB       ALA  21   8.245  11.988   1.903
  128   2HB   ALA  21          2HB       ALA  21   6.631  11.782   2.609
  129   3HB   ALA  21          3HB       ALA  21   8.053  11.148   3.461
  130    H    ALA  22           H        ALA  22   5.120   9.331   0.892
  131    HA   ALA  22           HA       ALA  22   5.651   9.569  -1.964
  132   1HB   ALA  22          2HB       ALA  22   4.301   7.776  -1.015
  133   2HB   ALA  22          3HB       ALA  22   3.138   8.954  -0.384
  134   3HB   ALA  22          1HB       ALA  22   3.359   8.760  -2.146
  135    H    MET  23           H        MET  23   2.579  10.624  -1.679
  136    HA   MET  23           HA       MET  23   3.169  13.308  -2.588
  137   1HB   MET  23          1HB       MET  23   0.612  11.856  -1.820
  138   2HB   MET  23          2HB       MET  23   0.637  13.563  -2.302
  139   1HG   MET  23          2HG       MET  23   1.677  13.006  -4.434
  140   2HG   MET  23          1HG       MET  23   1.660  11.284  -4.027
  141   1HE   MET  23          1HE       MET  23   0.639  11.743  -6.671
  142   2HE   MET  23          3HE       MET  23  -1.046  12.260  -6.916
  143   3HE   MET  23          2HE       MET  23   0.186  13.449  -6.437
  144    H    GLY  24           H        GLY  24   4.608  13.757  -0.707
  145   1HA   GLY  24          1HA       GLY  24   4.924  15.365   0.973
  146   2HA   GLY  24          2HA       GLY  24   3.174  15.461   1.247
  147    H    SER  25           H        SER  25   4.204  15.362   3.551
  148    HA   SER  25           HA       SER  25   5.444  13.406   4.821
  149   1HB   SER  25          1HB       SER  25   2.922  14.731   5.882
  150   2HB   SER  25          2HB       SER  25   4.382  14.266   6.781
  151    HG   SER  25           HG       SER  25   4.367  16.514   6.227
  152    H    ALA  26           H        ALA  26   5.179  11.225   4.360
  153    HA   ALA  26           HA       ALA  26   2.597   9.952   5.111
  154   1HB   ALA  26          3HB       ALA  26   4.373   9.412   2.701
  155   2HB   ALA  26          2HB       ALA  26   3.035   8.375   3.206
  156   3HB   ALA  26          1HB       ALA  26   2.710  10.038   2.658
  157    H    LYS  27           HN       LYS  27   2.933   8.181   6.506
  158    HA   LYS  27           HA       LYS  27   5.320   7.728   7.825
  159   1HB   LYS  27          2HB       LYS  27   2.680   6.306   7.319
  160   2HB   LYS  27          1HB       LYS  27   3.948   5.620   8.292
  161   1HG   LYS  27          1HG       LYS  27   3.850   7.381   9.923
  162   2HG   LYS  27          2HG       LYS  27   2.892   8.398   8.836
  163   1HD   LYS  27          1HD       LYS  27   1.308   7.675  10.347
  164   2HD   LYS  27          2HD       LYS  27   1.043   6.613   8.971
  165   1HE   LYS  27          2HE       LYS  27   2.565   5.922  11.546
  166   2HE   LYS  27          1HE       LYS  27   0.914   5.434  11.137
  167   1HZ   LYS  27          3HZ       LYS  27   1.854   4.270   9.220
  168   2HZ   LYS  27          1HZ       LYS  27   3.366   4.577   9.796
  169   3HZ   LYS  27          2HZ       LYS  27   2.328   3.662  10.679
  170    HA   PRO  28           HA       PRO  28   7.269   5.318   4.499
  171   1HB   PRO  28          1HB       PRO  28   8.803   4.294   6.928
  172   2HB   PRO  28          2HB       PRO  28   9.446   4.671   5.304
  173   1HG   PRO  28          1HG       PRO  28   9.738   6.481   7.303
  174   2HG   PRO  28          2HG       PRO  28   9.176   7.040   5.699
  175   1HD   PRO  28          2HD       PRO  28   7.501   6.479   8.161
  176   2HD   PRO  28          1HD       PRO  28   7.424   7.857   7.016
  177    H    VAL  29           H        VAL  29   6.840   3.283   3.758
  178    HA   VAL  29           HA       VAL  29   4.845   1.708   5.268
  179    HB   VAL  29           HB       VAL  29   5.919   1.480   2.427
  180   1HG1  VAL  29          1HG1      VAL  29   4.726  -0.564   3.216
  181   2HG1  VAL  29          2HG1      VAL  29   3.317   0.446   3.633
  182   3HG1  VAL  29          3HG1      VAL  29   3.829   0.271   1.945
  183   1HG2  VAL  29          1HG2      VAL  29   3.642   3.066   3.662
  184   2HG2  VAL  29          2HG2      VAL  29   4.912   3.648   2.574
  185   3HG2  VAL  29          3HG2      VAL  29   3.624   2.579   1.958
  186    H    LYS  30           HN       LYS  30   8.100   1.527   3.942
  187    HA   LYS  30           HA       LYS  30   8.704  -1.153   3.870
  188   1HB   LYS  30          1HB       LYS  30  10.186   0.642   3.157
  189   2HB   LYS  30          2HB       LYS  30  10.377   1.176   4.830
  190   1HG   LYS  30          2HG       LYS  30  11.373  -1.173   5.297
  191   2HG   LYS  30          1HG       LYS  30  11.309  -1.443   3.552
  192   1HD   LYS  30          2HD       LYS  30  12.736   0.623   3.261
  193   2HD   LYS  30          1HD       LYS  30  12.897   0.702   5.024
  194   1HE   LYS  30          1HE       LYS  30  13.829  -1.523   3.146
  195   2HE   LYS  30          2HE       LYS  30  14.849  -0.424   4.090
  196   1HZ   LYS  30          1HZ       LYS  30  13.900  -1.469   6.079
  197   2HZ   LYS  30          2HZ       LYS  30  13.064  -2.523   5.110
  198   3HZ   LYS  30          3HZ       LYS  30  14.701  -2.545   5.110
  199    H    GLY  31           H        GLY  31   7.929  -2.558   5.424
  200   1HA   GLY  31          1HA       GLY  31   7.854  -3.697   7.383
  201   2HA   GLY  31          2HA       GLY  31   9.323  -2.837   7.804
  202    H    GLN  32           H        GLN  32   6.109  -1.238   7.442
  203    HA   GLN  32           HA       GLN  32   6.230  -0.135  10.073
  204   1HB   GLN  32          1HB       GLN  32   3.502  -0.841   8.936
  205   2HB   GLN  32          2HB       GLN  32   3.977   0.454  10.023
  206   1HG   GLN  32          2HG       GLN  32   5.385   1.326   8.098
  207   2HG   GLN  32          1HG       GLN  32   4.497   0.184   7.075
  208   1HE2  GLN  32          1HE2      GLN  32   2.719   3.605   7.062
  209   2HE2  GLN  32          2HE2      GLN  32   4.446   3.258   7.092
  210    H    GLY  33           H        GLY  33   4.269  -2.683   9.042
  211   1HA   GLY  33          2HA       GLY  33   5.131  -4.908  10.519
  212   2HA   GLY  33          1HA       GLY  33   3.914  -4.120  11.541
  213    H    ALA  34           H        ALA  34   3.990  -6.704   9.661
  214    HA   ALA  34           HA       ALA  34   2.337  -6.392   7.501
  215   1HB   ALA  34          1HB       ALA  34   3.451  -8.521   8.010
  216   2HB   ALA  34          3HB       ALA  34   2.298  -8.814   9.334
  217   3HB   ALA  34          2HB       ALA  34   1.736  -8.736   7.651
  218    H    GLU  35           HN       GLU  35   1.155  -6.820  10.876
  219    HA   GLU  35           HA       GLU  35  -1.610  -6.932  10.172
  220   1HB   GLU  35          2HB       GLU  35  -0.123  -6.002  12.685
  221   2HB   GLU  35          1HB       GLU  35  -1.874  -6.088  12.567
  222   1HG   GLU  35          2HG       GLU  35   0.034  -8.448  12.186
  223   2HG   GLU  35          1HG       GLU  35  -0.915  -8.110  13.638
  224    H    GLU  36           HN       GLU  36   0.443  -4.235  11.213
  225    HA   GLU  36           HA       GLU  36  -1.352  -2.076  11.152
  226   1HB   GLU  36          1HB       GLU  36   1.638  -2.295  10.479
  227   2HB   GLU  36          2HB       GLU  36   0.797  -0.782  10.500
  228   1HG   GLU  36          1HG       GLU  36   2.038  -1.189  12.540
  229   2HG   GLU  36          2HG       GLU  36   0.294  -1.035  12.862
  230    H    LEU  37           H        LEU  37   0.853  -3.233   8.682
  231    HA   LEU  37           HA       LEU  37   0.089  -1.611   6.514
  232   1HB   LEU  37          1HB       LEU  37   1.333  -4.375   6.748
  233   2HB   LEU  37          2HB       LEU  37   1.112  -3.607   5.186
  234    HG   LEU  37           HG       LEU  37   2.583  -2.146   7.401
  235   1HD1  LEU  37          2HD2      LEU  37   3.670  -4.208   5.469
  236   2HD1  LEU  37          3HD2      LEU  37   4.695  -2.978   6.241
  237   3HD1  LEU  37          1HD2      LEU  37   3.845  -4.177   7.213
  238   1HD2  LEU  37          1HD1      LEU  37   2.536  -1.966   4.364
  239   2HD2  LEU  37          3HD1      LEU  37   1.925  -0.764   5.527
  240   3HD2  LEU  37          2HD1      LEU  37   3.655  -1.080   5.410
  241    H    TYR  38           HN       TYR  38  -0.834  -5.076   6.894
  242    HA   TYR  38           HA       TYR  38  -2.710  -5.405   5.015
  243   1HB   TYR  38          1HB       TYR  38  -2.019  -7.061   6.755
  244   2HB   TYR  38          2HB       TYR  38  -3.002  -6.290   7.925
  245    HD1  TYR  38           HE2      TYR  38  -4.159  -6.882   4.369
  246    HD2  TYR  38           HD1      TYR  38  -4.343  -8.172   8.492
  247    HE1  TYR  38           HE1      TYR  38  -6.219  -8.116   3.890
  248    HE2  TYR  38           HD2      TYR  38  -6.379  -9.483   7.969
  249    HH   TYR  38           HH       TYR  38  -7.821  -9.598   4.702
  250    H    LYS  39           HN       LYS  39  -3.548  -4.416   8.263
  251    HA   LYS  39           HA       LYS  39  -6.271  -3.865   7.694
  252   1HB   LYS  39          1HB       LYS  39  -4.408  -2.894   9.882
  253   2HB   LYS  39          2HB       LYS  39  -5.983  -2.128   9.692
  254   1HG   LYS  39          1HG       LYS  39  -6.215  -3.868  11.314
  255   2HG   LYS  39          2HG       LYS  39  -7.133  -4.289   9.864
  256   1HD   LYS  39          2HD       LYS  39  -5.245  -5.825   9.179
  257   2HD   LYS  39          1HD       LYS  39  -4.392  -5.372  10.665
  258   1HE   LYS  39          2HE       LYS  39  -5.453  -7.503  11.007
  259   2HE   LYS  39          1HE       LYS  39  -6.280  -6.302  12.009
  260   1HZ   LYS  39          3HZ       LYS  39  -7.198  -7.297   9.396
  261   2HZ   LYS  39          2HZ       LYS  39  -7.797  -7.750  10.862
  262   3HZ   LYS  39          1HZ       LYS  39  -7.995  -6.202  10.337
  263    H    LYS  40           HN       LYS  40  -3.505  -1.511   7.295
  264    HA   LYS  40           HA       LYS  40  -5.345   0.580   6.529
  265   1HB   LYS  40          1HB       LYS  40  -2.331   0.186   6.622
  266   2HB   LYS  40          2HB       LYS  40  -3.118   1.631   6.009
  267   1HG   LYS  40          2HG       LYS  40  -4.408   1.857   8.143
  268   2HG   LYS  40          1HG       LYS  40  -3.573   0.444   8.794
  269   1HD   LYS  40          2HD       LYS  40  -2.233   3.053   7.975
  270   2HD   LYS  40          1HD       LYS  40  -2.727   2.635   9.617
  271   1HE   LYS  40          2HE       LYS  40  -1.231   0.647   9.573
  272   2HE   LYS  40          1HE       LYS  40  -0.663   1.118   7.957
  273   1HZ   LYS  40          1HZ       LYS  40   0.063   3.195   8.948
  274   2HZ   LYS  40          2HZ       LYS  40  -0.351   2.638  10.449
  275   3HZ   LYS  40          3HZ       LYS  40   0.825   1.880   9.557
  276    H    MET  41           H        MET  41  -3.204  -1.697   4.598
  277    HA   MET  41           HA       MET  41  -4.047  -0.442   2.133
  278   1HB   MET  41          1HB       MET  41  -3.485  -2.661   1.023
  279   2HB   MET  41          2HB       MET  41  -2.225  -1.643   1.677
  280   1HG   MET  41          2HG       MET  41  -3.069  -3.703   3.582
  281   2HG   MET  41          1HG       MET  41  -2.432  -4.429   2.107
  282   1HE   MET  41          3HE       MET  41  -0.608  -3.258   0.837
  283   2HE   MET  41          2HE       MET  41   0.335  -1.949   1.575
  284   3HE   MET  41          1HE       MET  41   0.966  -3.614   1.587
  285    H    LYS  42           HN       LYS  42  -5.482  -2.988   4.168
  286    HA   LYS  42           HA       LYS  42  -7.627  -3.622   2.399
  287   1HB   LYS  42          1HB       LYS  42  -6.863  -4.899   4.494
  288   2HB   LYS  42          2HB       LYS  42  -7.720  -3.687   5.448
  289   1HG   LYS  42          1HG       LYS  42  -9.835  -4.276   4.273
  290   2HG   LYS  42          2HG       LYS  42  -8.940  -5.431   3.263
  291   1HD   LYS  42          2HD       LYS  42  -8.286  -6.700   5.321
  292   2HD   LYS  42          1HD       LYS  42  -9.198  -5.548   6.305
  293   1HE   LYS  42          2HE       LYS  42 -10.517  -7.570   5.962
  294   2HE   LYS  42          1HE       LYS  42 -11.296  -6.208   5.140
  295   1HZ   LYS  42          2HZ       LYS  42  -9.610  -8.257   3.855
  296   2HZ   LYS  42          1HZ       LYS  42 -11.253  -8.174   3.797
  297   3HZ   LYS  42          3HZ       LYS  42 -10.349  -6.997   3.089
  298    H    GLY  43           H        GLY  43  -7.271  -1.295   5.095
  299   1HA   GLY  43          2HA       GLY  43  -9.725  -0.032   5.156
  300   2HA   GLY  43          1HA       GLY  43  -8.169   0.764   5.450
  301    H    TYR  44           H        TYR  44  -6.903   0.788   3.116
  302    HA   TYR  44           HA       TYR  44  -8.171   2.873   1.627
  303   1HB   TYR  44          1HB       TYR  44  -5.782   1.102   1.023
  304   2HB   TYR  44          2HB       TYR  44  -6.271   2.458   0.000
  305    HD1  TYR  44           HD1      TYR  44  -6.864   4.586   1.995
  306    HD2  TYR  44           HD2      TYR  44  -3.572   1.858   1.544
  307    HE1  TYR  44           HE1      TYR  44  -5.410   6.142   3.247
  308    HE2  TYR  44           HE2      TYR  44  -2.072   3.554   2.567
  309    HH   TYR  44           HH       TYR  44  -1.933   5.484   3.757
  310    H    ALA  45           H        ALA  45  -7.531  -0.557   0.644
  311    HA   ALA  45           HA       ALA  45  -8.902  -0.425  -1.810
  312   1HB   ALA  45          2HB       ALA  45  -7.448  -2.279  -1.128
  313   2HB   ALA  45          1HB       ALA  45  -8.638  -2.789   0.091
  314   3HB   ALA  45          3HB       ALA  45  -9.038  -2.875  -1.640
  315    H    ASP  46           HN       ASP  46 -10.225  -1.088   1.416
  316    HA   ASP  46           HA       ASP  46 -12.913  -1.654   0.550
  317   1HB   ASP  46          2HB       ASP  46 -12.036  -2.463   2.672
  318   2HB   ASP  46          1HB       ASP  46 -11.703  -0.810   3.210
  319    H    GLY  47           H        GLY  47 -11.101   1.331   0.982
  320   1HA   GLY  47          1HA       GLY  47 -11.719   3.456   0.463
  321   2HA   GLY  47          2HA       GLY  47 -13.381   2.934   0.151
  322    H    SER  48           H        SER  48 -11.832   2.069   3.215
  323    HA   SER  48           HA       SER  48 -13.682   3.905   4.680
  324   1HB   SER  48          1HB       SER  48 -12.640   2.516   6.647
  325   2HB   SER  48          2HB       SER  48 -13.929   1.829   5.644
  326    HG   SER  48           HG       SER  48 -12.595   0.493   4.734
  327    H    TYR  49           H        TYR  49 -10.264   2.886   4.413
  328    HA   TYR  49           HA       TYR  49  -9.429   5.334   5.845
  329   1HB   TYR  49          2HB       TYR  49  -8.225   3.037   6.192
  330   2HB   TYR  49          1HB       TYR  49  -7.672   3.229   4.537
  331    HD1  TYR  49           HD1      TYR  49  -7.782   6.257   6.753
  332    HD2  TYR  49           HD2      TYR  49  -5.389   2.931   5.366
  333    HE1  TYR  49           HE1      TYR  49  -5.759   7.432   7.426
  334    HE2  TYR  49           HE2      TYR  49  -3.357   4.101   6.144
  335    HH   TYR  49           HH       TYR  49  -2.479   6.098   7.051
  336    H    GLY  50           H        GLY  50  -8.252   7.083   4.606
  337   1HA   GLY  50          1HA       GLY  50  -7.377   6.943   1.991
  338   2HA   GLY  50          2HA       GLY  50  -9.114   7.236   1.853
  339    H    GLY  51           H        GLY  51  -8.038   9.176   0.772
  340   1HA   GLY  51          2HA       GLY  51  -8.614  11.558   2.049
  341   2HA   GLY  51          1HA       GLY  51  -6.857  11.298   2.244
  342    H    GLU  52           HN       GLU  52  -7.893  13.378   0.516
  343    HA   GLU  52           HA       GLU  52  -8.347  12.707  -2.117
  344   1HB   GLU  52          2HB       GLU  52  -7.545  14.949  -2.714
  345   2HB   GLU  52          1HB       GLU  52  -8.626  14.932  -1.320
  346   1HG   GLU  52          1HG       GLU  52  -6.567  15.105   0.183
  347   2HG   GLU  52          2HG       GLU  52  -5.607  15.352  -1.290
  348    H    ARG  53           HN       ARG  53  -5.083  13.348  -0.766
  349    HA   ARG  53           HA       ARG  53  -3.643  12.769  -3.127
  350   1HB   ARG  53          2HB       ARG  53  -1.708  12.620  -1.730
  351   2HB   ARG  53          1HB       ARG  53  -2.728  13.934  -1.138
  352   1HG   ARG  53          2HG       ARG  53  -3.555  12.410   0.704
  353   2HG   ARG  53          1HG       ARG  53  -2.494  11.132   0.076
  354   1HD   ARG  53          2HD       ARG  53  -0.534  12.463   0.414
  355   2HD   ARG  53          1HD       ARG  53  -1.484  13.834   1.024
  356    HE   ARG  53           HE       ARG  53  -2.226  11.762   2.676
  357   1HH1  ARG  53          1HH1      ARG  53   0.911  13.190   1.736
  358   2HH1  ARG  53          2HH1      ARG  53   1.641  12.804   3.284
  359   1HH2  ARG  53          1HH2      ARG  53  -1.121  11.226   4.690
  360   2HH2  ARG  53          2HH2      ARG  53   0.543  11.750   4.882
  361    H    LYS  54           HN       LYS  54  -5.293  10.608  -0.977
  362    HA   LYS  54           HA       LYS  54  -3.626   8.253  -1.587
  363   1HB   LYS  54          2HB       LYS  54  -6.070   8.441   0.171
  364   2HB   LYS  54          1HB       LYS  54  -4.819   7.209   0.131
  365   1HG   LYS  54          2HG       LYS  54  -3.143   9.081   0.715
  366   2HG   LYS  54          1HG       LYS  54  -4.561  10.113   1.058
  367   1HD   LYS  54          1HD       LYS  54  -5.313   8.394   2.724
  368   2HD   LYS  54          2HD       LYS  54  -3.833   7.486   2.322
  369   1HE   LYS  54          2HE       LYS  54  -2.464   9.405   3.108
  370   2HE   LYS  54          1HE       LYS  54  -3.948  10.231   3.627
  371   1HZ   LYS  54          1HZ       LYS  54  -3.132   7.564   4.555
  372   2HZ   LYS  54          2HZ       LYS  54  -2.798   8.946   5.376
  373   3HZ   LYS  54          3HZ       LYS  54  -4.366   8.479   5.145
  374    H    ALA  55           H        ALA  55  -6.091   9.932  -3.202
  375    HA   ALA  55           HA       ALA  55  -7.944   7.922  -3.832
  376   1HB   ALA  55          1HB       ALA  55  -8.255  10.279  -4.411
  377   2HB   ALA  55          3HB       ALA  55  -6.926  10.197  -5.588
  378   3HB   ALA  55          2HB       ALA  55  -8.414   9.263  -5.857
  379    H    MET  56           H        MET  56  -4.925   8.740  -5.620
  380    HA   MET  56           HA       MET  56  -5.180   6.771  -7.635
  381   1HB   MET  56          1HB       MET  56  -3.604   8.666  -7.688
  382   2HB   MET  56          2HB       MET  56  -2.652   7.936  -6.386
  383   1HG   MET  56          2HG       MET  56  -2.202   5.963  -7.841
  384   2HG   MET  56          1HG       MET  56  -3.155   6.700  -9.132
  385   1HE   MET  56          3HE       MET  56  -2.476   8.841 -10.410
  386   2HE   MET  56          2HE       MET  56  -2.063   9.840  -8.990
  387   3HE   MET  56          1HE       MET  56  -0.885   9.629 -10.300
  388    H    MET  57           H        MET  57  -3.481   6.660  -4.492
  389    HA   MET  57           HA       MET  57  -2.550   4.011  -4.572
  390   1HB   MET  57          2HB       MET  57  -1.837   5.588  -2.889
  391   2HB   MET  57          1HB       MET  57  -3.470   5.728  -2.229
  392   1HG   MET  57          2HG       MET  57  -3.464   3.492  -1.398
  393   2HG   MET  57          1HG       MET  57  -2.027   3.057  -2.329
  394   1HE   MET  57          3HE       MET  57  -3.281   5.615   0.370
  395   2HE   MET  57          2HE       MET  57  -1.782   6.000   1.247
  396   3HE   MET  57          1HE       MET  57  -2.007   6.581  -0.416
  397    H    THR  58           H        THR  58  -5.648   5.309  -3.321
  398    HA   THR  58           HA       THR  58  -6.822   2.929  -2.427
  399    HB   THR  58           HB       THR  58  -8.142   5.393  -3.639
  400    HG1  THR  58           HG1      THR  58  -6.947   5.760  -1.765
  401   1HG2  THR  58          2HG2      THR  58  -9.333   3.060  -2.116
  402   2HG2  THR  58          1HG2      THR  58 -10.135   4.627  -2.339
  403   3HG2  THR  58          3HG2      THR  58  -9.768   3.612  -3.744
  404    H    ASN  59           H        ASN  59  -7.033   4.429  -5.740
  405    HA   ASN  59           HA       ASN  59  -8.509   2.247  -6.815
  406   1HB   ASN  59          1HB       ASN  59  -8.115   4.503  -7.894
  407   2HB   ASN  59          2HB       ASN  59  -6.534   3.906  -8.407
  408   1HD2  ASN  59          1HD2      ASN  59  -8.816   1.318 -10.320
  409   2HD2  ASN  59          2HD2      ASN  59  -8.004   0.979  -8.806
  410    H    ALA  60           H        ALA  60  -4.941   2.766  -6.534
  411    HA   ALA  60           HA       ALA  60  -4.152   0.534  -8.086
  412   1HB   ALA  60          1HB       ALA  60  -2.602   2.307  -7.317
  413   2HB   ALA  60          3HB       ALA  60  -2.702   1.676  -5.660
  414   3HB   ALA  60          2HB       ALA  60  -2.016   0.675  -6.946
  415    H    VAL  61           H        VAL  61  -4.748   0.735  -4.526
  416    HA   VAL  61           HA       VAL  61  -4.380  -2.140  -4.253
  417    HB   VAL  61           HB       VAL  61  -5.035  -1.874  -1.961
  418   1HG1  VAL  61          1HG2      VAL  61  -2.707  -1.389  -2.661
  419   2HG1  VAL  61          3HG2      VAL  61  -3.108   0.330  -2.822
  420   3HG1  VAL  61          2HG2      VAL  61  -3.190  -0.454  -1.233
  421   1HG2  VAL  61          2HG1      VAL  61  -6.756  -0.013  -2.351
  422   2HG2  VAL  61          1HG1      VAL  61  -5.690   0.132  -0.947
  423   3HG2  VAL  61          3HG1      VAL  61  -5.386   1.104  -2.385
  424    H    LYS  62           HN       LYS  62  -7.186  -0.126  -5.042
  425    HA   LYS  62           HA       LYS  62  -9.260  -1.798  -4.226
  426   1HB   LYS  62          1HB       LYS  62  -9.418   0.502  -5.375
  427   2HB   LYS  62          2HB       LYS  62  -9.137  -0.342  -6.893
  428   1HG   LYS  62          2HG       LYS  62 -11.448  -0.010  -6.777
  429   2HG   LYS  62          1HG       LYS  62 -11.204  -1.720  -6.444
  430   1HD   LYS  62          1HD       LYS  62 -12.896  -0.834  -4.974
  431   2HD   LYS  62          2HD       LYS  62 -11.496  -1.264  -3.994
  432   1HE   LYS  62          1HE       LYS  62 -10.847   1.089  -3.791
  433   2HE   LYS  62          2HE       LYS  62 -12.067   1.575  -4.992
  434   1HZ   LYS  62          3HZ       LYS  62 -13.745   0.847  -3.446
  435   2HZ   LYS  62          2HZ       LYS  62 -12.583   0.400  -2.360
  436   3HZ   LYS  62          1HZ       LYS  62 -12.769   1.988  -2.760
  437    H    LYS  63           HN       LYS  63  -6.984  -2.179  -7.003
  438    HA   LYS  63           HA       LYS  63  -8.385  -4.100  -8.403
  439   1HB   LYS  63          1HB       LYS  63  -5.378  -3.689  -8.114
  440   2HB   LYS  63          2HB       LYS  63  -6.259  -4.401  -9.446
  441   1HG   LYS  63          1HG       LYS  63  -6.116  -1.496  -8.677
  442   2HG   LYS  63          2HG       LYS  63  -5.557  -2.245 -10.144
  443   1HD   LYS  63          1HD       LYS  63  -8.476  -1.890  -9.294
  444   2HD   LYS  63          2HD       LYS  63  -7.611  -0.932 -10.489
  445   1HE   LYS  63          1HE       LYS  63  -8.236  -3.918 -10.743
  446   2HE   LYS  63          2HE       LYS  63  -9.061  -2.597 -11.578
  447   1HZ   LYS  63          3HZ       LYS  63  -6.983  -2.055 -12.639
  448   2HZ   LYS  63          1HZ       LYS  63  -6.234  -3.314 -11.883
  449   3HZ   LYS  63          2HZ       LYS  63  -7.439  -3.605 -12.966
  450    H    ALA  64           H        ALA  64  -6.677  -4.312  -5.346
  451    HA   ALA  64           HA       ALA  64  -5.728  -7.052  -5.648
  452   1HB   ALA  64          2HB       ALA  64  -4.481  -5.181  -4.492
  453   2HB   ALA  64          3HB       ALA  64  -5.722  -5.199  -3.239
  454   3HB   ALA  64          1HB       ALA  64  -4.716  -6.630  -3.483
  455    H    SER  65           H        SER  65  -6.737  -8.843  -4.891
  456    HA   SER  65           HA       SER  65  -9.356  -8.699  -3.579
  457   1HB   SER  65          1HB       SER  65  -9.171 -11.163  -3.701
  458   2HB   SER  65          2HB       SER  65  -8.841 -10.430  -5.273
  459    HG   SER  65           HG       SER  65  -7.308 -12.092  -4.484
  460    H    ASP  66           HN       ASP  66  -9.487 -10.259  -1.480
  461    HA   ASP  66           HA       ASP  66  -7.989  -9.036   0.577
  462   1HB   ASP  66          1HB       ASP  66 -10.098 -10.205   0.997
  463   2HB   ASP  66          2HB       ASP  66  -9.342 -11.758   0.593
  464    H    GLU  67           HN       GLU  67  -7.425 -12.201  -1.053
  465    HA   GLU  67           HA       GLU  67  -5.220 -13.079   0.274
  466   1HB   GLU  67          1HB       GLU  67  -5.471 -13.343  -2.746
  467   2HB   GLU  67          2HB       GLU  67  -4.947 -14.459  -1.496
  468   1HG   GLU  67          2HG       GLU  67  -6.921 -15.405  -2.170
  469   2HG   GLU  67          1HG       GLU  67  -7.387 -14.547  -0.697
  470    H    GLU  68           HN       GLU  68  -5.363 -10.965  -2.588
  471    HA   GLU  68           HA       GLU  68  -2.541 -10.606  -2.845
  472   1HB   GLU  68          1HB       GLU  68  -4.936  -9.004  -3.754
  473   2HB   GLU  68          2HB       GLU  68  -3.297  -8.549  -4.140
  474   1HG   GLU  68          2HG       GLU  68  -4.351 -11.316  -4.841
  475   2HG   GLU  68          1HG       GLU  68  -4.642  -9.913  -5.873
  476    H    LEU  69           H        LEU  69  -5.090  -8.691  -1.133
  477    HA   LEU  69           HA       LEU  69  -3.378  -6.591  -0.300
  478   1HB   LEU  69          1HB       LEU  69  -5.893  -7.755   0.946
  479   2HB   LEU  69          2HB       LEU  69  -5.087  -6.325   1.588
  480    HG   LEU  69           HG       LEU  69  -5.953  -6.471  -1.319
  481   1HD1  LEU  69          2HD2      LEU  69  -7.583  -5.504   1.055
  482   2HD1  LEU  69          1HD2      LEU  69  -7.984  -5.215  -0.655
  483   3HD1  LEU  69          3HD2      LEU  69  -7.969  -6.861  -0.021
  484   1HD2  LEU  69          3HD1      LEU  69  -5.457  -4.134   0.579
  485   2HD2  LEU  69          2HD1      LEU  69  -4.347  -4.655  -0.706
  486   3HD2  LEU  69          1HD1      LEU  69  -5.934  -4.016  -1.125
  487    H    LYS  70           HN       LYS  70  -4.112  -9.747   1.312
  488    HA   LYS  70           HA       LYS  70  -2.494  -9.264   3.616
  489   1HB   LYS  70          2HB       LYS  70  -3.297 -11.778   2.113
  490   2HB   LYS  70          1HB       LYS  70  -2.435 -11.800   3.663
  491   1HG   LYS  70          1HG       LYS  70  -4.256 -10.863   4.846
  492   2HG   LYS  70          2HG       LYS  70  -5.013 -10.229   3.382
  493   1HD   LYS  70          2HD       LYS  70  -6.211 -12.203   4.328
  494   2HD   LYS  70          1HD       LYS  70  -5.744 -12.332   2.630
  495   1HE   LYS  70          2HE       LYS  70  -5.340 -14.429   3.767
  496   2HE   LYS  70          1HE       LYS  70  -3.814 -13.740   3.209
  497   1HZ   LYS  70          2HZ       LYS  70  -4.865 -13.578   5.954
  498   2HZ   LYS  70          1HZ       LYS  70  -3.650 -14.569   5.445
  499   3HZ   LYS  70          3HZ       LYS  70  -3.439 -12.935   5.436
  500    H    ALA  71           H        ALA  71  -1.769 -10.721   0.392
  501    HA   ALA  71           HA       ALA  71   0.979 -11.195   0.973
  502   1HB   ALA  71          1HB       ALA  71  -0.274 -12.252  -0.904
  503   2HB   ALA  71          2HB       ALA  71  -0.330 -10.681  -1.735
  504   3HB   ALA  71          3HB       ALA  71   1.232 -11.474  -1.443
  505    H    LEU  72           H        LEU  72  -0.684  -8.238  -0.193
  506    HA   LEU  72           HA       LEU  72   1.617  -6.812  -0.971
  507   1HB   LEU  72          1HB       LEU  72  -1.075  -6.509  -1.141
  508   2HB   LEU  72          2HB       LEU  72  -0.835  -5.519   0.274
  509    HG   LEU  72           HG       LEU  72   0.591  -4.017  -1.057
  510   1HD1  LEU  72          2HD1      LEU  72  -0.042  -5.872  -3.376
  511   2HD1  LEU  72          1HD1      LEU  72   0.708  -4.282  -3.533
  512   3HD1  LEU  72          3HD1      LEU  72   1.593  -5.570  -2.727
  513   1HD2  LEU  72          3HD2      LEU  72  -2.074  -4.852  -2.353
  514   2HD2  LEU  72          2HD2      LEU  72  -1.892  -3.693  -1.031
  515   3HD2  LEU  72          1HD2      LEU  72  -1.284  -3.310  -2.655
  516    H    ALA  73           H        ALA  73  -0.320  -6.901   2.041
  517    HA   ALA  73           HA       ALA  73   1.339  -5.334   3.672
  518   1HB   ALA  73          1HB       ALA  73  -0.908  -6.227   4.248
  519   2HB   ALA  73          3HB       ALA  73  -0.206  -7.824   4.539
  520   3HB   ALA  73          2HB       ALA  73   0.291  -6.453   5.544
  521    H    ASP  74           HN       ASP  74   1.453  -8.899   3.239
  522    HA   ASP  74           HA       ASP  74   3.690  -9.432   4.814
  523   1HB   ASP  74          2HB       ASP  74   2.282 -11.175   3.811
  524   2HB   ASP  74          1HB       ASP  74   2.884 -10.756   2.198
  525    H    TYR  75           H        TYR  75   3.673  -8.579   1.304
  526    HA   TYR  75           HA       TYR  75   6.432  -8.617   0.838
  527   1HB   TYR  75          2HB       TYR  75   4.660  -8.457  -0.861
  528   2HB   TYR  75          1HB       TYR  75   4.288  -6.818  -0.366
  529    HD1  TYR  75           HD1      TYR  75   6.100  -4.993  -0.621
  530    HD2  TYR  75           HD2      TYR  75   6.219  -8.829  -2.597
  531    HE1  TYR  75           HE1      TYR  75   7.465  -4.020  -2.425
  532    HE2  TYR  75           HE2      TYR  75   7.555  -7.828  -4.430
  533    HH   TYR  75           HH       TYR  75   8.400  -4.358  -4.505
  534    H    MET  76           H        MET  76   4.408  -5.687   1.769
  535    HA   MET  76           HA       MET  76   6.519  -3.869   2.016
  536   1HB   MET  76          2HB       MET  76   3.801  -4.212   3.349
  537   2HB   MET  76          1HB       MET  76   4.807  -2.783   3.457
  538   1HG   MET  76          2HG       MET  76   3.446  -3.943   1.052
  539   2HG   MET  76          1HG       MET  76   3.049  -2.429   1.852
  540   1HE   MET  76          1HE       MET  76   2.750  -2.874  -0.730
  541   2HE   MET  76          3HE       MET  76   3.811  -2.037  -1.864
  542   3HE   MET  76          2HE       MET  76   4.115  -3.751  -1.417
  543    H    SER  77           H        SER  77   5.179  -6.254   4.216
  544    HA   SER  77           HA       SER  77   6.717  -5.344   6.513
  545   1HB   SER  77          2HB       SER  77   4.433  -6.389   6.613
  546   2HB   SER  77          1HB       SER  77   5.200  -7.940   6.224
  547    HG   SER  77           HG       SER  77   6.594  -7.490   8.069
  548    H    LYS  78           HN       LYS  78   8.082  -6.726   3.814
  549    HA   LYS  78           HA       LYS  78  10.128  -8.085   5.443
  550   1HB   LYS  78          2HB       LYS  78   8.672  -9.310   3.058
  551   2HB   LYS  78          1HB       LYS  78  10.180  -9.918   3.773
  552   1HG   LYS  78          1HG       LYS  78   8.933 -10.173   5.973
  553   2HG   LYS  78          2HG       LYS  78   7.444  -9.845   5.087
  554   1HD   LYS  78          2HD       LYS  78   9.343 -12.204   4.707
  555   2HD   LYS  78          1HD       LYS  78   7.685 -12.209   5.317
  556   1HE   LYS  78          1HE       LYS  78   7.334 -12.937   3.154
  557   2HE   LYS  78          2HE       LYS  78   7.063 -11.196   2.966
  558   1HZ   LYS  78          1HZ       LYS  78   9.550 -12.646   2.358
  559   2HZ   LYS  78          3HZ       LYS  78   8.454 -12.097   1.257
  560   3HZ   LYS  78          2HZ       LYS  78   9.322 -11.028   2.158
  561    H    LEU  79           H        LEU  79   9.887  -5.482   4.372
  562    HA   LEU  79           HA       LEU  79  11.585  -5.509   1.991
  563   1HB   LEU  79          2HB       LEU  79   8.981  -4.582   2.411
  564   2HB   LEU  79          1HB       LEU  79   9.909  -3.154   2.814
  565    HG   LEU  79           HG       LEU  79  10.038  -4.896   0.313
  566   1HD1  LEU  79          2HD2      LEU  79   8.841  -2.113   0.718
  567   2HD1  LEU  79          3HD2      LEU  79   9.018  -2.918  -0.859
  568   3HD1  LEU  79          1HD2      LEU  79   7.963  -3.618   0.366
  569   1HD2  LEU  79          1HD1      LEU  79  11.450  -2.297   1.002
  570   2HD2  LEU  79          2HD1      LEU  79  12.217  -3.869   0.691
  571   3HD2  LEU  79          3HD1      LEU  79  11.424  -3.020  -0.639
  572    HHA  HEC   1           HHA      HEM   1   1.763   5.296   3.668
  573    HHB  HEC   1           HHB      HEM   1  -0.005  -0.135   0.869
  574    HHC  HEC   1           HHC      HEM   1   0.902   2.685  -4.782
  575    HHD  HEC   1           HHD      HEM   1   0.723   8.388  -1.783
  576   1HMA  HEC   1          1HMA      HEM   1  -0.095   0.416   4.648
  577   2HMA  HEC   1          2HMA      HEM   1   0.782  -0.493   3.399
  578   3HMA  HEC   1          3HMA      HEM   1  -0.920  -0.033   3.154
  579   1HAA  HEC   1          1HAA      HEM   1   1.329   2.068   5.528
  580   2HAA  HEC   1          2HAA      HEM   1   1.840   3.701   5.143
  581   1HBA  HEC   1          1HBA      HEM   1  -0.916   2.677   5.848
  582   2HBA  HEC   1          2HBA      HEM   1  -0.766   4.138   4.873
  583   1HMB  HEC   1          1HMB      HEM   1  -0.705  -1.613  -1.131
  584   2HMB  HEC   1          2HMB      HEM   1   0.991  -1.567  -0.605
  585   3HMB  HEC   1          3HMB      HEM   1   0.619  -2.034  -2.249
  586    HAB  HEC   1           HAB      HEM   1   0.711   0.651  -5.188
  587   1HBB  HEC   1          1HBB      HEM   1   1.276  -2.117  -4.268
  588   2HBB  HEC   1          2HBB      HEM   1  -0.447  -1.598  -4.285
  589   3HBB  HEC   1          3HBB      HEM   1   0.535  -1.531  -5.753
  590   1HMC  HEC   1          1HMC      HEM   1  -0.052   4.482  -6.283
  591   2HMC  HEC   1          2HMC      HEM   1   1.722   4.600  -6.301
  592   3HMC  HEC   1          3HMC      HEM   1   0.734   6.028  -6.633
  593    HAC  HEC   1           HAC      HEM   1   1.554   8.669  -3.778
  594   1HBC  HEC   1          1HBC      HEM   1  -0.314   7.918  -6.036
  595   2HBC  HEC   1          2HBC      HEM   1   0.379   9.519  -5.757
  596   3HBC  HEC   1          3HBC      HEM   1  -0.736   8.815  -4.562
  597   1HMD  HEC   1          1HMD      HEM   1  -0.374   9.828   1.567
  598   2HMD  HEC   1          2HMD      HEM   1  -0.372   9.594  -0.176
  599   3HMD  HEC   1          3HMD      HEM   1   1.122  10.096   0.653
  600   1HAD  HEC   1          1HAD      HEM   1  -0.833   7.771   3.517
  601   2HAD  HEC   1          2HAD      HEM   1   0.461   8.936   3.531
  602   1HBD  HEC   1          1HBD      HEM   1   1.853   7.157   4.846
  603   2HBD  HEC   1          2HBD      HEM   1   0.355   6.251   4.976
   
  No H/Q in entry =         603
  Start of MODEL   23
    1   1H    ALA   1          1H        ALA   1   5.451 -12.130  -8.548
    2   2H    ALA   1          3H        ALA   1   5.807 -13.594  -9.267
    3   3H    ALA   1          2H        ALA   1   4.525 -12.670  -9.776
    4    HA   ALA   1           HA       ALA   1   3.571 -14.340  -8.484
    5   1HB   ALA   1          3HB       ALA   1   5.637 -15.030  -7.300
    6   2HB   ALA   1          2HB       ALA   1   5.597 -13.528  -6.348
    7   3HB   ALA   1          1HB       ALA   1   4.313 -14.737  -6.160
    8    H    ASP   2           HN       ASP   2   2.022 -13.890  -6.568
    9    HA   ASP   2           HA       ASP   2   0.884 -11.312  -6.874
   10   1HB   ASP   2          1HB       ASP   2  -0.378 -13.357  -6.205
   11   2HB   ASP   2          2HB       ASP   2   0.467 -13.356  -4.646
   12    H    GLY   3           H        GLY   3   0.620  -9.675  -5.158
   13   1HA   GLY   3          2HA       GLY   3   1.396  -8.226  -3.566
   14   2HA   GLY   3          1HA       GLY   3   2.511  -9.467  -2.964
   15    H    ALA   4           H        ALA   4   4.181 -10.054  -4.807
   16    HA   ALA   4           HA       ALA   4   5.963  -7.835  -5.046
   17   1HB   ALA   4          1HB       ALA   4   6.723 -10.180  -4.971
   18   2HB   ALA   4          3HB       ALA   4   5.995 -10.481  -6.561
   19   3HB   ALA   4          2HB       ALA   4   7.351  -9.342  -6.404
   20    H    ALA   5           H        ALA   5   4.056  -9.525  -7.592
   21    HA   ALA   5           HA       ALA   5   4.785  -7.820  -9.729
   22   1HB   ALA   5          2HB       ALA   5   2.216  -9.401  -9.288
   23   2HB   ALA   5          1HB       ALA   5   2.748  -8.699 -10.831
   24   3HB   ALA   5          3HB       ALA   5   3.703  -9.984 -10.068
   25    H    LEU   6           H        LEU   6   2.039  -7.549  -7.378
   26    HA   LEU   6           HA       LEU   6   0.716  -5.372  -8.500
   27   1HB   LEU   6          2HB       LEU   6   0.963  -6.773  -5.822
   28   2HB   LEU   6          1HB       LEU   6   0.024  -5.321  -6.028
   29    HG   LEU   6           HG       LEU   6  -1.312  -6.422  -7.805
   30   1HD1  LEU   6          1HD2      LEU   6   0.342  -8.879  -7.118
   31   2HD1  LEU   6          2HD2      LEU   6  -1.226  -8.943  -7.944
   32   3HD1  LEU   6          3HD2      LEU   6   0.126  -8.117  -8.712
   33   1HD2  LEU   6          3HD1      LEU   6  -1.145  -7.849  -5.115
   34   2HD2  LEU   6          1HD1      LEU   6  -2.106  -6.404  -5.505
   35   3HD2  LEU   6          2HD1      LEU   6  -2.520  -7.961  -6.240
   36    H    TYR   7           H        TYR   7   3.283  -5.627  -5.981
   37    HA   TYR   7           HA       TYR   7   3.293  -3.021  -5.117
   38   1HB   TYR   7          2HB       TYR   7   4.608  -4.943  -4.193
   39   2HB   TYR   7          1HB       TYR   7   5.787  -4.722  -5.470
   40    HD1  TYR   7           HD2      TYR   7   3.957  -2.636  -2.926
   41    HD2  TYR   7           HD1      TYR   7   7.650  -3.285  -5.044
   42    HE1  TYR   7           HE2      TYR   7   4.937  -0.640  -1.832
   43    HE2  TYR   7           HE1      TYR   7   8.659  -1.364  -3.862
   44    HH   TYR   7           HH       TYR   7   8.206   0.539  -2.617
   45    H    LYS   8           HN       LYS   8   5.001  -4.314  -7.864
   46    HA   LYS   8           HA       LYS   8   6.838  -2.555  -8.661
   47   1HB   LYS   8          2HB       LYS   8   4.633  -3.581 -10.484
   48   2HB   LYS   8          1HB       LYS   8   6.143  -2.879 -11.051
   49   1HG   LYS   8          1HG       LYS   8   5.830  -5.434  -9.415
   50   2HG   LYS   8          2HG       LYS   8   6.208  -5.326 -11.121
   51   1HD   LYS   8          2HD       LYS   8   7.970  -4.507  -8.765
   52   2HD   LYS   8          1HD       LYS   8   8.216  -5.846  -9.876
   53   1HE   LYS   8          1HE       LYS   8   8.415  -2.875 -10.570
   54   2HE   LYS   8          2HE       LYS   8   9.742  -4.030 -10.428
   55   1HZ   LYS   8          3HZ       LYS   8   8.818  -5.239 -12.271
   56   2HZ   LYS   8          1HZ       LYS   8   7.587  -4.152 -12.414
   57   3HZ   LYS   8          2HZ       LYS   8   9.139  -3.678 -12.691
   58    H    SER   9           H        SER   9   3.386  -1.772  -9.497
   59    HA   SER   9           HA       SER   9   3.948   0.760 -10.546
   60   1HB   SER   9          1HB       SER   9   1.420  -0.085  -9.078
   61   2HB   SER   9          2HB       SER   9   1.572   1.082 -10.413
   62    HG   SER   9           HG       SER   9   0.884  -1.043 -11.098
   63    H    CYS  10           H        CYS  10   3.455  -0.217  -7.181
   64    HA   CYS  10           HA       CYS  10   2.698   2.319  -6.083
   65   1HB   CYS  10          2HB       CYS  10   4.033   0.081  -4.590
   66   2HB   CYS  10          1HB       CYS  10   2.884   1.226  -3.968
   67    H    ILE  11           H        ILE  11   5.716   0.747  -6.875
   68    HA   ILE  11           HA       ILE  11   7.580   2.078  -5.332
   69    HB   ILE  11           HB       ILE  11   7.703   1.356  -8.273
   70   1HG1  ILE  11          1HG1      ILE  11   8.757  -0.062  -5.773
   71   2HG1  ILE  11          2HG1      ILE  11   7.300  -0.544  -6.649
   72   1HG2  ILE  11          2HG2      ILE  11   9.479   3.003  -7.799
   73   2HG2  ILE  11          3HG2      ILE  11  10.046   1.993  -6.454
   74   3HG2  ILE  11          1HG2      ILE  11  10.147   1.422  -8.128
   75   1HD1  ILE  11          3HD1      ILE  11   8.760  -0.932  -8.691
   76   2HD1  ILE  11          2HD1      ILE  11  10.169  -0.744  -7.617
   77   3HD1  ILE  11          1HD1      ILE  11   9.004  -2.038  -7.322
   78    H    GLY  12           H        GLY  12   5.653   3.288  -8.080
   79   1HA   GLY  12          1HA       GLY  12   6.927   5.608  -8.836
   80   2HA   GLY  12          2HA       GLY  12   5.171   5.410  -8.720
   81    H    CYS  13           H        CYS  13   4.982   5.089  -5.818
   82    HA   CYS  13           HA       CYS  13   5.571   7.945  -5.039
   83   1HB   CYS  13          2HB       CYS  13   3.354   6.067  -4.305
   84   2HB   CYS  13          1HB       CYS  13   3.757   7.484  -3.335
   85    H    HIS  14           HN       HIS  14   5.802   4.517  -4.028
   86    HA   HIS  14           HA       HIS  14   6.903   5.379  -1.422
   87   1HB   HIS  14          2HB       HIS  14   6.084   2.688  -2.553
   88   2HB   HIS  14          1HB       HIS  14   6.683   2.971  -0.909
   89    HD1  HIS  14           HD1      HIS  14   5.372   5.130   0.355
   90    HD2  HIS  14           HD2      HIS  14   3.319   3.072  -2.649
   91    HE1  HIS  14           HE1      HIS  14   2.968   5.291   0.912
   92    H    GLY  15           H        GLY  15   8.241   4.111  -4.429
   93   1HA   GLY  15          1HA       GLY  15  10.486   3.950  -4.943
   94   2HA   GLY  15          2HA       GLY  15  10.941   4.227  -3.257
   95    H    ALA  16           H        ALA  16  12.325   2.333  -4.542
   96    HA   ALA  16           HA       ALA  16  11.344  -0.257  -4.802
   97   1HB   ALA  16          2HB       ALA  16  14.130   0.636  -3.930
   98   2HB   ALA  16          1HB       ALA  16  13.695  -0.982  -4.518
   99   3HB   ALA  16          3HB       ALA  16  13.551   0.419  -5.595
  100    H    ASP  17           HN       ASP  17  13.230   0.860  -1.933
  101    HA   ASP  17           HA       ASP  17  12.147  -1.331  -0.304
  102   1HB   ASP  17          1HB       ASP  17  13.947   0.976   0.501
  103   2HB   ASP  17          2HB       ASP  17  13.660  -0.527   1.388
  104    H    GLY  18           H        GLY  18  10.139   0.503  -1.286
  105   1HA   GLY  18          1HA       GLY  18   8.568   2.024  -0.730
  106   2HA   GLY  18          2HA       GLY  18   8.348   0.904   0.623
  107    H    SER  19           H        SER  19  11.092   3.130   0.072
  108    HA   SER  19           HA       SER  19  10.859   4.087   2.811
  109   1HB   SER  19          1HB       SER  19  13.247   4.814   2.145
  110   2HB   SER  19          2HB       SER  19  12.876   3.080   2.255
  111    HG   SER  19           HG       SER  19  13.984   3.633   0.296
  112    H    LYS  20           HN       LYS  20  10.355   5.583  -0.426
  113    HA   LYS  20           HA       LYS  20  11.286   8.162   0.624
  114   1HB   LYS  20          1HB       LYS  20  11.125   8.974  -1.522
  115   2HB   LYS  20          2HB       LYS  20  11.644   7.299  -1.704
  116   1HG   LYS  20          2HG       LYS  20   9.020   6.874  -2.090
  117   2HG   LYS  20          1HG       LYS  20   9.002   8.585  -2.372
  118   1HD   LYS  20          1HD       LYS  20  10.795   8.425  -4.069
  119   2HD   LYS  20          2HD       LYS  20  10.809   6.659  -3.888
  120   1HE   LYS  20          2HE       LYS  20   8.491   6.525  -4.656
  121   2HE   LYS  20          1HE       LYS  20   8.361   8.295  -4.718
  122   1HZ   LYS  20          3HZ       LYS  20  10.033   8.254  -6.435
  123   2HZ   LYS  20          1HZ       LYS  20  10.086   6.602  -6.378
  124   3HZ   LYS  20          2HZ       LYS  20   8.698   7.370  -6.836
  125    H    ALA  21           H        ALA  21   9.192   7.171   2.250
  126    HA   ALA  21           HA       ALA  21   7.009   7.674   3.038
  127   1HB   ALA  21          1HB       ALA  21   7.837  10.396   1.996
  128   2HB   ALA  21          3HB       ALA  21   6.486  10.041   3.090
  129   3HB   ALA  21          2HB       ALA  21   8.146   9.711   3.597
  130    H    ALA  22           H        ALA  22   6.104   9.994   1.039
  131    HA   ALA  22           HA       ALA  22   5.487   8.952  -1.437
  132   1HB   ALA  22          2HB       ALA  22   3.150   8.744   0.500
  133   2HB   ALA  22          3HB       ALA  22   3.014   8.713  -1.278
  134   3HB   ALA  22          1HB       ALA  22   3.892   7.430  -0.446
  135    H    MET  23           H        MET  23   3.852  10.485  -2.520
  136    HA   MET  23           HA       MET  23   4.843  13.020  -2.565
  137   1HB   MET  23          2HB       MET  23   2.019  12.083  -3.201
  138   2HB   MET  23          1HB       MET  23   2.672  13.669  -3.646
  139   1HG   MET  23          2HG       MET  23   4.470  12.595  -4.943
  140   2HG   MET  23          1HG       MET  23   3.827  10.996  -4.544
  141   1HE   MET  23          1HE       MET  23   3.946  10.419  -7.097
  142   2HE   MET  23          3HE       MET  23   3.108  11.349  -8.360
  143   3HE   MET  23          2HE       MET  23   4.491  12.066  -7.502
  144    H    GLY  24           H        GLY  24   5.135  14.350  -0.885
  145   1HA   GLY  24          2HA       GLY  24   4.192  16.186   0.366
  146   2HA   GLY  24          1HA       GLY  24   2.818  15.171   0.829
  147    H    SER  25           H        SER  25   3.090  13.650   2.500
  148    HA   SER  25           HA       SER  25   5.662  12.902   3.606
  149   1HB   SER  25          2HB       SER  25   3.775  14.760   5.136
  150   2HB   SER  25          1HB       SER  25   5.003  13.755   5.925
  151    HG   SER  25           HG       SER  25   5.875  15.317   3.785
  152    H    ALA  26           H        ALA  26   5.352  10.843   4.643
  153    HA   ALA  26           HA       ALA  26   2.697   9.921   5.386
  154   1HB   ALA  26          2HB       ALA  26   4.052   9.188   2.749
  155   2HB   ALA  26          1HB       ALA  26   2.860   8.132   3.478
  156   3HB   ALA  26          3HB       ALA  26   2.390   9.764   2.979
  157    H    LYS  27           HN       LYS  27   2.867   7.737   6.390
  158    HA   LYS  27           HA       LYS  27   5.257   7.054   7.662
  159   1HB   LYS  27          2HB       LYS  27   2.569   5.848   6.937
  160   2HB   LYS  27          1HB       LYS  27   3.751   4.849   7.732
  161   1HG   LYS  27          1HG       LYS  27   3.817   6.336   9.663
  162   2HG   LYS  27          2HG       LYS  27   2.798   7.535   8.832
  163   1HD   LYS  27          2HD       LYS  27   0.945   5.919   8.692
  164   2HD   LYS  27          1HD       LYS  27   1.911   4.688   9.517
  165   1HE   LYS  27          1HE       LYS  27   1.060   7.390  10.682
  166   2HE   LYS  27          2HE       LYS  27   0.286   5.834  11.020
  167   1HZ   LYS  27          1HZ       LYS  27   2.350   5.071  11.954
  168   2HZ   LYS  27          2HZ       LYS  27   3.063   6.530  11.670
  169   3HZ   LYS  27          3HZ       LYS  27   1.811   6.419  12.733
  170    HA   PRO  28           HA       PRO  28   6.794   5.378   3.721
  171   1HB   PRO  28          2HB       PRO  28   9.146   4.194   4.579
  172   2HB   PRO  28          1HB       PRO  28   8.981   5.961   4.351
  173   1HG   PRO  28          1HG       PRO  28   8.704   4.392   6.924
  174   2HG   PRO  28          2HG       PRO  28   9.659   5.879   6.649
  175   1HD   PRO  28          1HD       PRO  28   7.175   5.934   7.751
  176   2HD   PRO  28          2HD       PRO  28   7.684   7.223   6.614
  177    H    VAL  29           H        VAL  29   6.751   3.283   2.814
  178    HA   VAL  29           HA       VAL  29   5.002   1.471   4.295
  179    HB   VAL  29           HB       VAL  29   6.252   1.513   1.523
  180   1HG1  VAL  29          3HG1      VAL  29   4.633  -0.698   2.814
  181   2HG1  VAL  29          1HG1      VAL  29   4.887  -0.525   1.057
  182   3HG1  VAL  29          2HG1      VAL  29   6.265  -0.842   2.126
  183   1HG2  VAL  29          3HG2      VAL  29   4.244   2.940   2.061
  184   2HG2  VAL  29          1HG2      VAL  29   3.910   1.702   0.833
  185   3HG2  VAL  29          2HG2      VAL  29   3.359   1.472   2.503
  186    H    LYS  30           HN       LYS  30   8.374   1.711   3.351
  187    HA   LYS  30           HA       LYS  30   9.704  -0.468   3.659
  188   1HB   LYS  30          2HB       LYS  30  10.555   1.904   3.646
  189   2HB   LYS  30          1HB       LYS  30  10.477   1.928   5.399
  190   1HG   LYS  30          2HG       LYS  30  11.980  -0.203   3.823
  191   2HG   LYS  30          1HG       LYS  30  12.711   1.351   4.201
  192   1HD   LYS  30          2HD       LYS  30  12.533   0.946   6.601
  193   2HD   LYS  30          1HD       LYS  30  11.717  -0.601   6.337
  194   1HE   LYS  30          2HE       LYS  30  14.496  -0.011   5.262
  195   2HE   LYS  30          1HE       LYS  30  14.166  -0.819   6.806
  196   1HZ   LYS  30          1HZ       LYS  30  13.255  -1.802   4.180
  197   2HZ   LYS  30          3HZ       LYS  30  14.528  -2.387   5.046
  198   3HZ   LYS  30          2HZ       LYS  30  12.992  -2.516   5.629
  199    H    GLY  31           H        GLY  31   9.144  -2.202   4.843
  200   1HA   GLY  31          2HA       GLY  31   8.225  -3.498   6.477
  201   2HA   GLY  31          1HA       GLY  31   9.704  -2.944   7.256
  202    H    GLN  32           H        GLN  32   6.787  -0.891   6.741
  203    HA   GLN  32           HA       GLN  32   6.930  -0.089   9.436
  204   1HB   GLN  32          1HB       GLN  32   4.962   1.202   9.275
  205   2HB   GLN  32          2HB       GLN  32   5.956   1.376   7.821
  206   1HG   GLN  32          1HG       GLN  32   4.513  -0.252   6.680
  207   2HG   GLN  32          2HG       GLN  32   3.516  -0.344   8.153
  208   1HE2  GLN  32          1HE2      GLN  32   2.969   3.250   6.308
  209   2HE2  GLN  32          2HE2      GLN  32   4.629   2.639   6.384
  210    H    GLY  33           H        GLY  33   5.024  -2.559   8.101
  211   1HA   GLY  33          2HA       GLY  33   5.382  -4.545   9.891
  212   2HA   GLY  33          1HA       GLY  33   4.110  -3.627  10.708
  213    H    ALA  34           H        ALA  34   4.539  -6.262   8.641
  214    HA   ALA  34           HA       ALA  34   2.605  -6.171   6.724
  215   1HB   ALA  34          1HB       ALA  34   3.959  -8.228   7.248
  216   2HB   ALA  34          2HB       ALA  34   2.946  -8.504   8.673
  217   3HB   ALA  34          3HB       ALA  34   2.239  -8.578   7.047
  218    H    GLU  35           HN       GLU  35   1.866  -6.636  10.202
  219    HA   GLU  35           HA       GLU  35  -0.944  -7.025   9.908
  220   1HB   GLU  35          2HB       GLU  35   0.770  -5.825  12.145
  221   2HB   GLU  35          1HB       GLU  35  -0.959  -6.130  12.276
  222   1HG   GLU  35          1HG       GLU  35  -0.592  -8.543  11.829
  223   2HG   GLU  35          2HG       GLU  35   1.148  -8.261  11.661
  224    H    GLU  36           HN       GLU  36   0.990  -4.123  10.593
  225    HA   GLU  36           HA       GLU  36  -0.866  -2.093  10.718
  226   1HB   GLU  36          2HB       GLU  36   1.862  -2.360  10.871
  227   2HB   GLU  36          1HB       GLU  36   1.782  -1.758   9.233
  228   1HG   GLU  36          1HG       GLU  36   2.323  -0.149  10.722
  229   2HG   GLU  36          2HG       GLU  36   0.780   0.306   9.952
  230    H    LEU  37           H        LEU  37   1.020  -3.203   7.892
  231    HA   LEU  37           HA       LEU  37  -0.038  -1.637   5.897
  232   1HB   LEU  37          2HB       LEU  37   1.424  -4.292   6.211
  233   2HB   LEU  37          1HB       LEU  37   1.067  -3.663   4.656
  234    HG   LEU  37           HG       LEU  37   2.673  -2.150   6.760
  235   1HD1  LEU  37          3HD2      LEU  37   3.611  -3.727   4.334
  236   2HD1  LEU  37          1HD2      LEU  37   4.646  -2.717   5.366
  237   3HD1  LEU  37          2HD2      LEU  37   3.868  -4.157   6.035
  238   1HD2  LEU  37          3HD1      LEU  37   2.147  -1.595   3.829
  239   2HD2  LEU  37          2HD1      LEU  37   1.707  -0.562   5.201
  240   3HD2  LEU  37          1HD1      LEU  37   3.400  -0.776   4.769
  241    H    TYR  38           HN       TYR  38  -0.741  -5.142   6.537
  242    HA   TYR  38           HA       TYR  38  -2.739  -5.580   4.770
  243   1HB   TYR  38          1HB       TYR  38  -1.872  -7.207   6.432
  244   2HB   TYR  38          2HB       TYR  38  -2.754  -6.457   7.693
  245    HD1  TYR  38           HD1      TYR  38  -3.711  -7.477   4.162
  246    HD2  TYR  38           HE2      TYR  38  -4.648  -7.646   8.375
  247    HE1  TYR  38           HD2      TYR  38  -5.956  -8.323   3.629
  248    HE2  TYR  38           HE1      TYR  38  -6.863  -8.611   7.828
  249    HH   TYR  38           HH       TYR  38  -7.965  -9.076   4.461
  250    H    LYS  39           HN       LYS  39  -3.265  -4.557   8.073
  251    HA   LYS  39           HA       LYS  39  -6.008  -4.085   7.963
  252   1HB   LYS  39          2HB       LYS  39  -4.155  -3.843   9.916
  253   2HB   LYS  39          1HB       LYS  39  -4.236  -2.154   9.496
  254   1HG   LYS  39          2HG       LYS  39  -5.810  -2.380  11.250
  255   2HG   LYS  39          1HG       LYS  39  -6.804  -2.370   9.791
  256   1HD   LYS  39          2HD       LYS  39  -7.653  -4.129  11.136
  257   2HD   LYS  39          1HD       LYS  39  -6.724  -4.955   9.878
  258   1HE   LYS  39          2HE       LYS  39  -4.828  -5.250  11.463
  259   2HE   LYS  39          1HE       LYS  39  -5.716  -4.341  12.700
  260   1HZ   LYS  39          1HZ       LYS  39  -7.381  -6.047  12.655
  261   2HZ   LYS  39          2HZ       LYS  39  -6.556  -6.882  11.497
  262   3HZ   LYS  39          3HZ       LYS  39  -5.902  -6.686  12.996
  263    H    LYS  40           HN       LYS  40  -3.426  -1.665   7.224
  264    HA   LYS  40           HA       LYS  40  -5.248   0.419   6.541
  265   1HB   LYS  40          1HB       LYS  40  -2.285  -0.173   6.192
  266   2HB   LYS  40          2HB       LYS  40  -3.051   1.301   5.626
  267   1HG   LYS  40          1HG       LYS  40  -3.726   1.963   7.812
  268   2HG   LYS  40          2HG       LYS  40  -3.482   0.354   8.491
  269   1HD   LYS  40          2HD       LYS  40  -1.149   0.543   8.573
  270   2HD   LYS  40          1HD       LYS  40  -1.100   1.827   7.397
  271   1HE   LYS  40          2HE       LYS  40  -0.646   2.754   9.596
  272   2HE   LYS  40          1HE       LYS  40  -2.208   3.369   9.036
  273   1HZ   LYS  40          3HZ       LYS  40  -3.256   1.651  10.372
  274   2HZ   LYS  40          1HZ       LYS  40  -1.781   1.175  10.944
  275   3HZ   LYS  40          2HZ       LYS  40  -2.349   2.681  11.283
  276    H    MET  41           H        MET  41  -3.475  -1.957   4.359
  277    HA   MET  41           HA       MET  41  -4.679  -0.793   2.027
  278   1HB   MET  41          1HB       MET  41  -4.276  -3.119   0.981
  279   2HB   MET  41          2HB       MET  41  -2.997  -1.968   1.272
  280   1HG   MET  41          2HG       MET  41  -3.262  -3.906   3.458
  281   2HG   MET  41          1HG       MET  41  -2.838  -4.682   1.925
  282   1HE   MET  41          1HE       MET  41  -1.533  -4.021   0.274
  283   2HE   MET  41          2HE       MET  41  -0.839  -2.400   0.378
  284   3HE   MET  41          3HE       MET  41   0.193  -3.842   0.624
  285    H    LYS  42           HN       LYS  42  -5.845  -3.247   4.348
  286    HA   LYS  42           HA       LYS  42  -8.186  -3.960   2.870
  287   1HB   LYS  42          1HB       LYS  42  -7.245  -5.091   4.967
  288   2HB   LYS  42          2HB       LYS  42  -7.957  -3.772   5.900
  289   1HG   LYS  42          2HG       LYS  42 -10.194  -4.330   4.905
  290   2HG   LYS  42          1HG       LYS  42  -9.440  -5.706   4.073
  291   1HD   LYS  42          1HD       LYS  42  -8.690  -6.583   6.317
  292   2HD   LYS  42          2HD       LYS  42  -9.581  -5.269   7.099
  293   1HE   LYS  42          2HE       LYS  42 -10.777  -7.447   5.311
  294   2HE   LYS  42          1HE       LYS  42 -10.867  -7.389   7.077
  295   1HZ   LYS  42          1HZ       LYS  42 -12.086  -5.335   6.884
  296   2HZ   LYS  42          2HZ       LYS  42 -12.034  -5.419   5.239
  297   3HZ   LYS  42          3HZ       LYS  42 -12.853  -6.561   6.096
  298    H    GLY  43           H        GLY  43  -7.484  -1.444   5.301
  299   1HA   GLY  43          2HA       GLY  43  -9.896  -0.087   5.499
  300   2HA   GLY  43          1HA       GLY  43  -8.292   0.655   5.608
  301    H    TYR  44           H        TYR  44  -7.224   0.566   3.209
  302    HA   TYR  44           HA       TYR  44  -8.597   2.605   1.743
  303   1HB   TYR  44          1HB       TYR  44  -6.204   0.883   1.059
  304   2HB   TYR  44          2HB       TYR  44  -6.778   2.212   0.048
  305    HD1  TYR  44           HD1      TYR  44  -7.245   4.478   1.629
  306    HD2  TYR  44           HD2      TYR  44  -4.126   1.530   1.975
  307    HE1  TYR  44           HE1      TYR  44  -5.782   6.144   2.777
  308    HE2  TYR  44           HE2      TYR  44  -2.629   3.252   2.951
  309    HH   TYR  44           HH       TYR  44  -2.474   5.341   3.825
  310    H    ALA  45           H        ALA  45  -8.135  -0.888   0.990
  311    HA   ALA  45           HA       ALA  45  -9.511  -0.859  -1.489
  312   1HB   ALA  45          3HB       ALA  45  -8.081  -2.713  -0.732
  313   2HB   ALA  45          2HB       ALA  45  -9.253  -3.106   0.548
  314   3HB   ALA  45          1HB       ALA  45  -9.705  -3.285  -1.162
  315    H    ASP  46           HN       ASP  46 -10.740  -1.447   1.825
  316    HA   ASP  46           HA       ASP  46 -13.474  -1.875   1.013
  317   1HB   ASP  46          1HB       ASP  46 -12.620  -2.708   3.139
  318   2HB   ASP  46          2HB       ASP  46 -12.212  -1.068   3.662
  319    H    GLY  47           H        GLY  47 -11.563   0.974   1.995
  320   1HA   GLY  47          2HA       GLY  47 -11.995   3.144   1.176
  321   2HA   GLY  47          1HA       GLY  47 -13.725   2.801   1.050
  322    H    SER  48           H        SER  48 -12.180   1.586   3.943
  323    HA   SER  48           HA       SER  48 -13.673   3.443   5.641
  324   1HB   SER  48          2HB       SER  48 -11.802   1.883   7.134
  325   2HB   SER  48          1HB       SER  48 -13.552   1.662   7.010
  326    HG   SER  48           HG       SER  48 -13.248   0.288   5.287
  327    H    TYR  49           H        TYR  49 -10.379   2.790   4.527
  328    HA   TYR  49           HA       TYR  49  -9.374   5.186   5.971
  329   1HB   TYR  49          2HB       TYR  49  -8.117   2.909   6.237
  330   2HB   TYR  49          1HB       TYR  49  -7.754   3.055   4.527
  331    HD1  TYR  49           HD1      TYR  49  -7.610   6.289   6.325
  332    HD2  TYR  49           HD2      TYR  49  -5.438   2.653   5.444
  333    HE1  TYR  49           HE1      TYR  49  -5.532   7.375   6.968
  334    HE2  TYR  49           HE2      TYR  49  -3.353   3.748   6.200
  335    HH   TYR  49           HH       TYR  49  -2.369   5.736   6.998
  336    H    GLY  50           H        GLY  50  -8.521   6.938   4.552
  337   1HA   GLY  50          1HA       GLY  50  -7.905   6.765   1.863
  338   2HA   GLY  50          2HA       GLY  50  -9.661   6.967   1.917
  339    H    GLY  51           H        GLY  51  -8.781   9.010   0.742
  340   1HA   GLY  51          1HA       GLY  51  -9.416  11.323   2.032
  341   2HA   GLY  51          2HA       GLY  51  -7.669  11.149   2.337
  342    H    GLU  52           HN       GLU  52  -8.646  13.243   0.716
  343    HA   GLU  52           HA       GLU  52  -8.857  12.771  -2.016
  344   1HB   GLU  52          1HB       GLU  52  -7.738  15.139  -2.196
  345   2HB   GLU  52          2HB       GLU  52  -9.359  14.908  -1.560
  346   1HG   GLU  52          1HG       GLU  52  -8.153  16.563  -0.276
  347   2HG   GLU  52          2HG       GLU  52  -8.597  15.209   0.746
  348    H    ARG  53           HN       ARG  53  -5.808  13.203  -0.192
  349    HA   ARG  53           HA       ARG  53  -4.136  12.903  -2.515
  350   1HB   ARG  53          2HB       ARG  53  -2.319  12.813  -0.963
  351   2HB   ARG  53          1HB       ARG  53  -3.455  14.069  -0.449
  352   1HG   ARG  53          2HG       ARG  53  -4.425  12.373   1.219
  353   2HG   ARG  53          1HG       ARG  53  -3.106  11.289   0.765
  354   1HD   ARG  53          2HD       ARG  53  -2.726  14.078   1.916
  355   2HD   ARG  53          1HD       ARG  53  -2.671  12.561   2.823
  356    HE   ARG  53           HE       ARG  53  -0.867  12.986   0.479
  357   1HH1  ARG  53          2HH1      ARG  53  -1.070  12.607   4.039
  358   2HH1  ARG  53          1HH1      ARG  53   0.643  12.241   4.144
  359   1HH2  ARG  53          2HH2      ARG  53   1.340  12.509   0.753
  360   2HH2  ARG  53          1HH2      ARG  53   1.909  12.051   2.353
  361    H    LYS  54           HN       LYS  54  -5.795  10.612  -0.467
  362    HA   LYS  54           HA       LYS  54  -3.984   8.369  -1.033
  363   1HB   LYS  54          2HB       LYS  54  -6.734   8.260   0.213
  364   2HB   LYS  54          1HB       LYS  54  -5.430   7.095   0.364
  365   1HG   LYS  54          1HG       LYS  54  -5.452   9.912   1.568
  366   2HG   LYS  54          2HG       LYS  54  -5.789   8.416   2.420
  367   1HD   LYS  54          2HD       LYS  54  -3.485   7.594   1.910
  368   2HD   LYS  54          1HD       LYS  54  -3.133   9.118   1.111
  369   1HE   LYS  54          1HE       LYS  54  -2.284   9.366   3.328
  370   2HE   LYS  54          2HE       LYS  54  -3.785  10.287   3.327
  371   1HZ   LYS  54          2HZ       LYS  54  -3.528   7.511   4.270
  372   2HZ   LYS  54          3HZ       LYS  54  -3.490   8.834   5.250
  373   3HZ   LYS  54          1HZ       LYS  54  -4.859   8.471   4.404
  374    H    ALA  55           H        ALA  55  -6.949   9.811  -2.247
  375    HA   ALA  55           HA       ALA  55  -8.431   8.002  -3.396
  376   1HB   ALA  55          3HB       ALA  55  -8.712  10.418  -3.737
  377   2HB   ALA  55          2HB       ALA  55  -7.390  10.422  -4.926
  378   3HB   ALA  55          1HB       ALA  55  -8.894   9.540  -5.268
  379    H    MET  56           H        MET  56  -5.390   8.894  -5.147
  380    HA   MET  56           HA       MET  56  -5.746   7.191  -7.365
  381   1HB   MET  56          2HB       MET  56  -3.226   8.127  -5.908
  382   2HB   MET  56          1HB       MET  56  -3.237   7.290  -7.465
  383   1HG   MET  56          2HG       MET  56  -4.504   9.108  -8.493
  384   2HG   MET  56          1HG       MET  56  -4.663   9.927  -6.937
  385   1HE   MET  56          3HE       MET  56  -2.266   8.862  -9.793
  386   2HE   MET  56          2HE       MET  56  -0.734   9.640  -9.332
  387   3HE   MET  56          1HE       MET  56  -1.317   8.233  -8.420
  388    H    MET  57           H        MET  57  -3.876   6.602  -4.389
  389    HA   MET  57           HA       MET  57  -3.194   3.886  -4.838
  390   1HB   MET  57          2HB       MET  57  -2.045   5.235  -3.217
  391   2HB   MET  57          1HB       MET  57  -3.539   5.597  -2.354
  392   1HG   MET  57          2HG       MET  57  -3.760   3.285  -1.609
  393   2HG   MET  57          1HG       MET  57  -2.332   2.815  -2.544
  394   1HE   MET  57          2HE       MET  57  -3.671   5.283   0.194
  395   2HE   MET  57          3HE       MET  57  -2.209   5.615   1.160
  396   3HE   MET  57          1HE       MET  57  -2.382   6.332  -0.452
  397    H    THR  58           H        THR  58  -5.978   5.438  -3.250
  398    HA   THR  58           HA       THR  58  -7.182   3.126  -2.141
  399    HB   THR  58           HB       THR  58  -8.619   5.609  -3.147
  400    HG1  THR  58           HG1      THR  58  -6.784   6.021  -1.732
  401   1HG2  THR  58          1HG2      THR  58 -10.070   3.695  -2.378
  402   2HG2  THR  58          2HG2      THR  58  -9.225   3.763  -0.815
  403   3HG2  THR  58          3HG2      THR  58 -10.192   5.142  -1.356
  404    H    ASN  59           H        ASN  59  -7.751   4.783  -5.312
  405    HA   ASN  59           HA       ASN  59  -9.594   2.844  -6.276
  406   1HB   ASN  59          1HB       ASN  59  -9.105   5.168  -7.210
  407   2HB   ASN  59          2HB       ASN  59  -7.712   4.456  -8.029
  408   1HD2  ASN  59          1HD2      ASN  59 -10.494   2.317  -9.773
  409   2HD2  ASN  59          2HD2      ASN  59  -9.431   1.766  -8.492
  410    H    ALA  60           H        ALA  60  -5.990   3.040  -6.437
  411    HA   ALA  60           HA       ALA  60  -5.632   0.873  -8.229
  412   1HB   ALA  60          1HB       ALA  60  -3.830   2.432  -7.566
  413   2HB   ALA  60          3HB       ALA  60  -3.776   1.686  -5.956
  414   3HB   ALA  60          2HB       ALA  60  -3.369   0.728  -7.388
  415    H    VAL  61           H        VAL  61  -5.588   0.812  -4.591
  416    HA   VAL  61           HA       VAL  61  -5.532  -2.070  -4.566
  417    HB   VAL  61           HB       VAL  61  -6.033  -1.953  -2.208
  418   1HG1  VAL  61          3HG2      VAL  61  -3.716  -1.660  -3.003
  419   2HG1  VAL  61          2HG2      VAL  61  -3.943   0.101  -3.056
  420   3HG1  VAL  61          1HG2      VAL  61  -4.014  -0.758  -1.506
  421   1HG2  VAL  61          2HG1      VAL  61  -7.592   0.057  -2.290
  422   2HG2  VAL  61          3HG1      VAL  61  -6.381   0.040  -1.000
  423   3HG2  VAL  61          1HG1      VAL  61  -6.145   1.068  -2.415
  424    H    LYS  62           HN       LYS  62  -8.236   0.225  -4.886
  425    HA   LYS  62           HA       LYS  62 -10.323  -1.499  -4.166
  426   1HB   LYS  62          1HB       LYS  62 -10.407   0.997  -4.896
  427   2HB   LYS  62          2HB       LYS  62 -10.427   0.380  -6.545
  428   1HG   LYS  62          1HG       LYS  62 -12.656   0.841  -5.983
  429   2HG   LYS  62          2HG       LYS  62 -12.500  -0.907  -6.021
  430   1HD   LYS  62          2HD       LYS  62 -13.891  -0.137  -4.138
  431   2HD   LYS  62          1HD       LYS  62 -12.484  -1.024  -3.573
  432   1HE   LYS  62          2HE       LYS  62 -13.014   0.999  -2.212
  433   2HE   LYS  62          1HE       LYS  62 -11.378   1.030  -2.863
  434   1HZ   LYS  62          3HZ       LYS  62 -13.706   2.438  -3.986
  435   2HZ   LYS  62          1HZ       LYS  62 -12.499   3.123  -3.096
  436   3HZ   LYS  62          2HZ       LYS  62 -12.169   2.497  -4.585
  437    H    LYS  63           HN       LYS  63  -8.169  -1.614  -6.993
  438    HA   LYS  63           HA       LYS  63  -9.921  -3.286  -8.562
  439   1HB   LYS  63          2HB       LYS  63  -6.916  -3.030  -8.836
  440   2HB   LYS  63          1HB       LYS  63  -8.073  -3.552 -10.055
  441   1HG   LYS  63          1HG       LYS  63  -7.611  -0.770  -8.950
  442   2HG   LYS  63          2HG       LYS  63  -7.415  -1.324 -10.601
  443   1HD   LYS  63          1HD       LYS  63 -10.071  -0.995  -9.117
  444   2HD   LYS  63          2HD       LYS  63  -9.389   0.103 -10.314
  445   1HE   LYS  63          1HE       LYS  63  -9.474  -1.683 -12.045
  446   2HE   LYS  63          2HE       LYS  63 -10.194  -2.795 -10.869
  447   1HZ   LYS  63          1HZ       LYS  63 -11.376  -0.267 -11.767
  448   2HZ   LYS  63          3HZ       LYS  63 -11.840  -1.779 -12.227
  449   3HZ   LYS  63          2HZ       LYS  63 -12.037  -1.300 -10.664
  450    H    ALA  64           H        ALA  64  -7.976  -3.890  -5.793
  451    HA   ALA  64           HA       ALA  64  -7.276  -6.728  -6.350
  452   1HB   ALA  64          1HB       ALA  64  -5.760  -5.022  -5.237
  453   2HB   ALA  64          3HB       ALA  64  -6.896  -5.049  -3.871
  454   3HB   ALA  64          2HB       ALA  64  -6.036  -6.515  -4.347
  455    H    SER  65           H        SER  65  -7.619  -7.713  -3.865
  456    HA   SER  65           HA       SER  65 -10.463  -7.405  -3.079
  457   1HB   SER  65          2HB       SER  65  -9.404  -9.958  -4.314
  458   2HB   SER  65          1HB       SER  65 -10.769  -9.948  -3.205
  459    HG   SER  65           HG       SER  65 -10.772  -8.037  -5.260
  460    H    ASP  66           HN       ASP  66  -8.117  -9.954  -2.361
  461    HA   ASP  66           HA       ASP  66  -7.864  -8.970   0.403
  462   1HB   ASP  66          1HB       ASP  66  -8.883 -10.771   1.534
  463   2HB   ASP  66          2HB       ASP  66 -10.082 -10.148   0.402
  464    H    GLU  67           HN       GLU  67  -7.384 -11.868  -1.655
  465    HA   GLU  67           HA       GLU  67  -5.137 -12.948  -0.309
  466   1HB   GLU  67          2HB       GLU  67  -6.423 -14.012  -2.219
  467   2HB   GLU  67          1HB       GLU  67  -5.617 -12.885  -3.334
  468   1HG   GLU  67          2HG       GLU  67  -3.401 -13.816  -2.608
  469   2HG   GLU  67          1HG       GLU  67  -4.251 -14.955  -1.552
  470    H    GLU  68           HN       GLU  68  -5.414 -10.631  -2.924
  471    HA   GLU  68           HA       GLU  68  -2.852  -9.884  -3.541
  472   1HB   GLU  68          2HB       GLU  68  -5.487  -8.343  -3.338
  473   2HB   GLU  68          1HB       GLU  68  -4.093  -7.907  -4.295
  474   1HG   GLU  68          1HG       GLU  68  -5.149  -8.948  -5.992
  475   2HG   GLU  68          2HG       GLU  68  -4.563 -10.457  -5.253
  476    H    LEU  69           H        LEU  69  -5.169  -8.331  -1.177
  477    HA   LEU  69           HA       LEU  69  -3.501  -6.316  -0.300
  478   1HB   LEU  69          2HB       LEU  69  -5.753  -7.774   1.129
  479   2HB   LEU  69          1HB       LEU  69  -5.099  -6.179   1.433
  480    HG   LEU  69           HG       LEU  69  -6.709  -7.047  -0.985
  481   1HD1  LEU  69          3HD1      LEU  69  -7.866  -6.449   1.153
  482   2HD1  LEU  69          1HD1      LEU  69  -7.092  -4.847   1.064
  483   3HD1  LEU  69          2HD1      LEU  69  -8.242  -5.354  -0.195
  484   1HD2  LEU  69          1HD2      LEU  69  -5.161  -4.457  -0.559
  485   2HD2  LEU  69          2HD2      LEU  69  -5.024  -5.577  -1.931
  486   3HD2  LEU  69          3HD2      LEU  69  -6.498  -4.624  -1.698
  487    H    LYS  70           HN       LYS  70  -4.090  -9.608   1.068
  488    HA   LYS  70           HA       LYS  70  -2.371  -9.278   3.343
  489   1HB   LYS  70          2HB       LYS  70  -3.271 -11.745   1.800
  490   2HB   LYS  70          1HB       LYS  70  -2.304 -11.809   3.284
  491   1HG   LYS  70          2HG       LYS  70  -4.048 -10.536   4.491
  492   2HG   LYS  70          1HG       LYS  70  -5.079 -10.565   3.056
  493   1HD   LYS  70          2HD       LYS  70  -4.038 -12.997   4.600
  494   2HD   LYS  70          1HD       LYS  70  -5.652 -12.304   4.771
  495   1HE   LYS  70          1HE       LYS  70  -4.528 -13.594   2.238
  496   2HE   LYS  70          2HE       LYS  70  -5.702 -14.302   3.352
  497   1HZ   LYS  70          1HZ       LYS  70  -7.204 -12.519   2.823
  498   2HZ   LYS  70          2HZ       LYS  70  -6.113 -11.877   1.762
  499   3HZ   LYS  70          3HZ       LYS  70  -6.780 -13.357   1.469
  500    H    ALA  71           H        ALA  71  -1.764 -10.644   0.072
  501    HA   ALA  71           HA       ALA  71   0.982 -11.206   0.633
  502   1HB   ALA  71          2HB       ALA  71  -0.353 -12.284  -1.184
  503   2HB   ALA  71          1HB       ALA  71  -0.443 -10.724  -2.030
  504   3HB   ALA  71          3HB       ALA  71   1.126 -11.536  -1.827
  505    H    LEU  72           H        LEU  72  -0.620  -8.195  -0.510
  506    HA   LEU  72           HA       LEU  72   1.822  -7.065  -1.519
  507   1HB   LEU  72          2HB       LEU  72  -0.488  -6.722  -2.296
  508   2HB   LEU  72          1HB       LEU  72  -0.903  -5.882  -0.809
  509    HG   LEU  72           HG       LEU  72   0.502  -3.993  -1.533
  510   1HD1  LEU  72          2HD1      LEU  72   1.347  -5.779  -3.822
  511   2HD1  LEU  72          3HD1      LEU  72   1.668  -4.038  -3.719
  512   3HD1  LEU  72          1HD1      LEU  72   2.406  -5.135  -2.545
  513   1HD2  LEU  72          2HD2      LEU  72  -1.250  -5.226  -3.712
  514   2HD2  LEU  72          1HD2      LEU  72  -1.752  -4.090  -2.450
  515   3HD2  LEU  72          3HD2      LEU  72  -0.687  -3.571  -3.773
  516    H    ALA  73           H        ALA  73  -0.256  -6.708   1.429
  517    HA   ALA  73           HA       ALA  73   1.414  -5.124   2.973
  518   1HB   ALA  73          3HB       ALA  73  -0.856  -5.926   3.628
  519   2HB   ALA  73          1HB       ALA  73  -0.215  -7.548   3.894
  520   3HB   ALA  73          2HB       ALA  73   0.348  -6.210   4.903
  521    H    ASP  74           HN       ASP  74   1.485  -8.754   2.756
  522    HA   ASP  74           HA       ASP  74   3.628  -9.095   4.539
  523   1HB   ASP  74          2HB       ASP  74   2.273 -10.976   3.799
  524   2HB   ASP  74          1HB       ASP  74   2.839 -10.778   2.131
  525    H    TYR  75           H        TYR  75   3.771  -8.888   0.934
  526    HA   TYR  75           HA       TYR  75   6.551  -9.069   0.664
  527   1HB   TYR  75          2HB       TYR  75   4.894  -9.191  -1.166
  528   2HB   TYR  75          1HB       TYR  75   4.551  -7.473  -0.993
  529    HD1  TYR  75           HD2      TYR  75   7.289  -9.923  -1.747
  530    HD2  TYR  75           HD1      TYR  75   5.880  -5.870  -2.184
  531    HE1  TYR  75           HE2      TYR  75   9.134  -9.447  -3.338
  532    HE2  TYR  75           HE1      TYR  75   7.682  -5.428  -3.820
  533    HH   TYR  75           HH       TYR  75   9.535  -6.259  -4.898
  534    H    MET  76           H        MET  76   4.526  -6.061   1.044
  535    HA   MET  76           HA       MET  76   6.643  -4.217   1.015
  536   1HB   MET  76          2HB       MET  76   3.777  -4.380   1.973
  537   2HB   MET  76          1HB       MET  76   4.749  -2.960   2.221
  538   1HG   MET  76          1HG       MET  76   5.167  -2.656  -0.121
  539   2HG   MET  76          2HG       MET  76   4.572  -4.260  -0.525
  540   1HE   MET  76          2HE       MET  76   2.860  -1.513   1.684
  541   2HE   MET  76          1HE       MET  76   1.225  -1.651   1.037
  542   3HE   MET  76          3HE       MET  76   1.961  -3.044   1.859
  543    H    SER  77           H        SER  77   5.314  -6.250   3.606
  544    HA   SER  77           HA       SER  77   6.748  -4.869   5.694
  545   1HB   SER  77          2HB       SER  77   4.703  -6.309   5.964
  546   2HB   SER  77          1HB       SER  77   5.756  -7.720   5.764
  547    HG   SER  77           HG       SER  77   7.053  -6.746   7.492
  548    H    LYS  78           HN       LYS  78   8.147  -6.483   3.111
  549    HA   LYS  78           HA       LYS  78  10.447  -7.471   4.712
  550   1HB   LYS  78          2HB       LYS  78   9.199  -8.807   2.267
  551   2HB   LYS  78          1HB       LYS  78  10.649  -9.335   3.118
  552   1HG   LYS  78          1HG       LYS  78   7.833  -9.305   4.267
  553   2HG   LYS  78          2HG       LYS  78   8.646 -10.715   3.589
  554   1HD   LYS  78          2HD       LYS  78  10.436 -10.492   5.337
  555   2HD   LYS  78          1HD       LYS  78   9.520  -9.169   6.076
  556   1HE   LYS  78          1HE       LYS  78   8.563 -12.050   5.722
  557   2HE   LYS  78          2HE       LYS  78   9.070 -11.284   7.236
  558   1HZ   LYS  78          2HZ       LYS  78   7.235  -9.741   6.965
  559   2HZ   LYS  78          3HZ       LYS  78   6.733 -10.548   5.615
  560   3HZ   LYS  78          1HZ       LYS  78   6.724 -11.305   7.073
  561    H    LEU  79           H        LEU  79   9.939  -4.846   3.643
  562    HA   LEU  79           HA       LEU  79  11.936  -4.577   1.558
  563   1HB   LEU  79          1HB       LEU  79   8.942  -4.175   1.512
  564   2HB   LEU  79          2HB       LEU  79   9.864  -2.826   1.001
  565    HG   LEU  79           HG       LEU  79   9.735  -5.601  -0.245
  566   1HD1  LEU  79          3HD2      LEU  79   9.081  -2.778  -1.226
  567   2HD1  LEU  79          2HD2      LEU  79   8.985  -4.226  -2.236
  568   3HD1  LEU  79          1HD2      LEU  79   7.916  -4.058  -0.836
  569   1HD2  LEU  79          2HD1      LEU  79  11.662  -3.375  -1.019
  570   2HD2  LEU  79          3HD1      LEU  79  12.077  -5.036  -0.537
  571   3HD2  LEU  79          1HD1      LEU  79  11.251  -4.746  -2.061
  572    HHA  HEC   1           HHA      HEM   1   1.249   4.916   3.539
  573    HHB  HEC   1           HHB      HEM   1  -0.492  -0.245   0.200
  574    HHC  HEC   1           HHC      HEM   1   0.736   3.104  -5.148
  575    HHD  HEC   1           HHD      HEM   1   0.459   8.459  -1.660
  576   1HMA  HEC   1          1HMA      HEM   1  -0.870   0.124   4.008
  577   2HMA  HEC   1          2HMA      HEM   1  -1.421  -0.321   2.394
  578   3HMA  HEC   1          3HMA      HEM   1   0.214  -0.776   2.933
  579   1HAA  HEC   1          1HAA      HEM   1   0.675   1.522   5.084
  580   2HAA  HEC   1          2HAA      HEM   1   1.638   2.944   4.723
  581   1HBA  HEC   1          1HBA      HEM   1  -1.328   2.699   5.371
  582   2HBA  HEC   1          2HBA      HEM   1  -0.774   4.120   4.535
  583   1HMB  HEC   1          1HMB      HEM   1   0.386  -1.832  -3.105
  584   2HMB  HEC   1          2HMB      HEM   1   0.350  -1.636  -1.372
  585   3HMB  HEC   1          3HMB      HEM   1  -1.180  -1.563  -2.287
  586    HAB  HEC   1           HAB      HEM   1   0.457   1.113  -5.750
  587   1HBB  HEC   1          1HBB      HEM   1  -1.807   0.216  -5.366
  588   2HBB  HEC   1          2HBB      HEM   1  -1.087  -1.321  -4.847
  589   3HBB  HEC   1          3HBB      HEM   1  -0.828  -0.745  -6.500
  590   1HMC  HEC   1          1HMC      HEM   1   0.768   6.551  -6.657
  591   2HMC  HEC   1          2HMC      HEM   1   1.775   5.113  -6.422
  592   3HMC  HEC   1          3HMC      HEM   1   0.000   4.971  -6.494
  593    HAC  HEC   1           HAC      HEM   1   1.529   8.886  -3.546
  594   1HBC  HEC   1          1HBC      HEM   1  -0.769   9.097  -4.382
  595   2HBC  HEC   1          2HBC      HEM   1  -0.252   8.480  -5.964
  596   3HBC  HEC   1          3HBC      HEM   1   0.392  10.016  -5.362
  597   1HMD  HEC   1          1HMD      HEM   1  -0.443   9.804   1.784
  598   2HMD  HEC   1          2HMD      HEM   1  -0.845   9.516   0.091
  599   3HMD  HEC   1          3HMD      HEM   1   0.827   9.892   0.552
  600   1HAD  HEC   1          1HAD      HEM   1  -0.015   8.660   3.601
  601   2HAD  HEC   1          2HAD      HEM   1  -1.180   7.363   3.657
  602   1HBD  HEC   1          1HBD      HEM   1   1.652   6.929   4.700
  603   2HBD  HEC   1          2HBD      HEM   1   0.211   6.011   5.022
   
  No H/Q in entry =         603
  Start of MODEL   24
    1   1H    ALA   1          2H        ALA   1   3.985 -11.963  -9.076
    2   2H    ALA   1          1H        ALA   1   5.014 -12.520  -7.943
    3   3H    ALA   1          3H        ALA   1   4.788 -13.404  -9.332
    4    HA   ALA   1           HA       ALA   1   2.572 -13.902  -8.760
    5   1HB   ALA   1          3HB       ALA   1   4.312 -15.297  -7.627
    6   2HB   ALA   1          1HB       ALA   1   4.285 -14.178  -6.245
    7   3HB   ALA   1          2HB       ALA   1   2.847 -15.136  -6.649
    8    H    ASP   2           HN       ASP   2   1.120 -13.830  -6.495
    9    HA   ASP   2           HA       ASP   2  -0.087 -11.378  -6.451
   10   1HB   ASP   2          2HB       ASP   2   0.092 -13.440  -4.200
   11   2HB   ASP   2          1HB       ASP   2  -1.070 -12.113  -4.251
   12    H    GLY   3           H        GLY   3  -0.123  -9.605  -4.989
   13   1HA   GLY   3          2HA       GLY   3   0.711  -8.045  -3.528
   14   2HA   GLY   3          1HA       GLY   3   1.825  -9.254  -2.871
   15    H    ALA   4           H        ALA   4   3.471  -9.956  -4.701
   16    HA   ALA   4           HA       ALA   4   5.308  -7.791  -4.985
   17   1HB   ALA   4          2HB       ALA   4   5.985 -10.163  -4.881
   18   2HB   ALA   4          1HB       ALA   4   5.262 -10.450  -6.475
   19   3HB   ALA   4          3HB       ALA   4   6.653  -9.355  -6.314
   20    H    ALA   5           H        ALA   5   3.292  -9.444  -7.443
   21    HA   ALA   5           HA       ALA   5   4.062  -7.951  -9.703
   22   1HB   ALA   5          3HB       ALA   5   1.387  -9.260  -9.053
   23   2HB   ALA   5          1HB       ALA   5   1.899  -8.708 -10.662
   24   3HB   ALA   5          2HB       ALA   5   2.778 -10.021  -9.857
   25    H    LEU   6           H        LEU   6   1.731  -7.126  -7.137
   26    HA   LEU   6           HA       LEU   6   0.641  -4.816  -8.455
   27   1HB   LEU   6          1HB       LEU   6   0.573  -5.877  -5.623
   28   2HB   LEU   6          2HB       LEU   6  -0.267  -4.432  -6.188
   29    HG   LEU   6           HG       LEU   6  -1.567  -5.674  -7.733
   30   1HD1  LEU   6          1HD2      LEU   6  -0.083  -8.202  -6.976
   31   2HD1  LEU   6          2HD2      LEU   6  -1.666  -8.163  -7.778
   32   3HD1  LEU   6          3HD2      LEU   6  -0.288  -7.475  -8.599
   33   1HD2  LEU   6          3HD1      LEU   6  -2.216  -5.572  -5.277
   34   2HD2  LEU   6          2HD1      LEU   6  -2.902  -6.959  -6.144
   35   3HD2  LEU   6          1HD1      LEU   6  -1.491  -7.183  -5.079
   36    H    TYR   7           H        TYR   7   2.749  -5.361  -5.621
   37    HA   TYR   7           HA       TYR   7   3.383  -2.851  -4.858
   38   1HB   TYR   7          1HB       TYR   7   4.049  -4.901  -3.662
   39   2HB   TYR   7          2HB       TYR   7   5.331  -5.161  -4.840
   40    HD1  TYR   7           HD2      TYR   7   3.980  -2.578  -2.450
   41    HD2  TYR   7           HD1      TYR   7   7.436  -4.039  -4.571
   42    HE1  TYR   7           HE2      TYR   7   5.328  -0.712  -1.547
   43    HE2  TYR   7           HE1      TYR   7   8.811  -2.262  -3.549
   44    HH   TYR   7           HH       TYR   7   8.815  -0.352  -2.277
   45    H    LYS   8           HN       LYS   8   5.126  -4.670  -7.396
   46    HA   LYS   8           HA       LYS   8   7.249  -2.985  -7.869
   47   1HB   LYS   8          1HB       LYS   8   7.350  -3.873 -10.109
   48   2HB   LYS   8          2HB       LYS   8   6.900  -5.125  -8.953
   49   1HG   LYS   8          2HG       LYS   8   5.308  -5.639 -10.494
   50   2HG   LYS   8          1HG       LYS   8   4.419  -4.375  -9.658
   51   1HD   LYS   8          2HD       LYS   8   4.127  -3.954 -11.944
   52   2HD   LYS   8          1HD       LYS   8   5.279  -2.725 -11.423
   53   1HE   LYS   8          2HE       LYS   8   7.155  -4.110 -12.340
   54   2HE   LYS   8          1HE       LYS   8   5.984  -5.348 -12.829
   55   1HZ   LYS   8          2HZ       LYS   8   4.970  -3.729 -14.256
   56   2HZ   LYS   8          3HZ       LYS   8   6.057  -2.579 -13.796
   57   3HZ   LYS   8          1HZ       LYS   8   6.567  -3.910 -14.623
   58    H    SER   9           H        SER   9   3.885  -2.319  -8.730
   59    HA   SER   9           HA       SER   9   4.476  -0.080 -10.480
   60   1HB   SER   9          2HB       SER   9   1.826  -0.498  -9.078
   61   2HB   SER   9          1HB       SER   9   2.164   0.032 -10.733
   62    HG   SER   9           HG       SER   9   2.212  -2.562  -9.595
   63    H    CYS  10           H        CYS  10   3.632  -0.604  -7.106
   64    HA   CYS  10           HA       CYS  10   2.794   2.022  -6.358
   65   1HB   CYS  10          2HB       CYS  10   3.939  -0.120  -4.567
   66   2HB   CYS  10          1HB       CYS  10   2.819   1.122  -4.121
   67    H    ILE  11           H        ILE  11   5.839   0.296  -6.489
   68    HA   ILE  11           HA       ILE  11   7.600   1.806  -5.061
   69    HB   ILE  11           HB       ILE  11   7.863   0.604  -7.823
   70   1HG1  ILE  11          2HG1      ILE  11   8.837  -0.243  -5.044
   71   2HG1  ILE  11          1HG1      ILE  11   7.473  -0.944  -5.919
   72   1HG2  ILE  11          2HG2      ILE  11  10.102   1.757  -6.139
   73   2HG2  ILE  11          3HG2      ILE  11  10.346   0.752  -7.583
   74   3HG2  ILE  11          1HG2      ILE  11   9.597   2.323  -7.744
   75   1HD1  ILE  11          2HD1      ILE  11   9.152  -1.603  -7.747
   76   2HD1  ILE  11          1HD1      ILE  11  10.420  -1.221  -6.557
   77   3HD1  ILE  11          3HD1      ILE  11   9.232  -2.479  -6.203
   78    H    GLY  12           H        GLY  12   6.016   2.784  -8.127
   79   1HA   GLY  12          1HA       GLY  12   7.540   4.947  -8.941
   80   2HA   GLY  12          2HA       GLY  12   5.772   4.864  -9.036
   81    H    CYS  13           H        CYS  13   5.189   4.823  -6.227
   82    HA   CYS  13           HA       CYS  13   5.785   7.704  -5.562
   83   1HB   CYS  13          2HB       CYS  13   3.533   5.838  -4.874
   84   2HB   CYS  13          1HB       CYS  13   3.915   7.222  -3.854
   85    H    HIS  14           HN       HIS  14   5.911   4.355  -4.341
   86    HA   HIS  14           HA       HIS  14   6.690   5.257  -1.696
   87   1HB   HIS  14          2HB       HIS  14   6.144   2.574  -2.986
   88   2HB   HIS  14          1HB       HIS  14   6.749   2.701  -1.337
   89    HD1  HIS  14           HD1      HIS  14   5.497   4.367   0.329
   90    HD2  HIS  14           HD2      HIS  14   3.347   3.138  -3.049
   91    HE1  HIS  14           HE1      HIS  14   3.094   4.861   0.782
   92    H    GLY  15           H        GLY  15   8.631   4.074  -4.425
   93   1HA   GLY  15          2HA       GLY  15  10.897   4.379  -4.666
   94   2HA   GLY  15          1HA       GLY  15  10.969   5.117  -3.070
   95    H    ALA  16           H        ALA  16  11.518   2.305  -4.920
   96    HA   ALA  16           HA       ALA  16  12.309   0.225  -4.558
   97   1HB   ALA  16          1HB       ALA  16  14.296   1.578  -4.246
   98   2HB   ALA  16          3HB       ALA  16  13.960   1.776  -2.518
   99   3HB   ALA  16          2HB       ALA  16  14.361   0.169  -3.175
  100    H    ASP  17           HN       ASP  17  13.152   0.386  -1.242
  101    HA   ASP  17           HA       ASP  17  11.479  -1.797  -0.529
  102   1HB   ASP  17          2HB       ASP  17  12.900   0.165   1.310
  103   2HB   ASP  17          1HB       ASP  17  12.412  -1.488   1.694
  104    H    GLY  18           H        GLY  18  10.787   1.517  -0.798
  105   1HA   GLY  18          1HA       GLY  18   8.662   2.357  -0.725
  106   2HA   GLY  18          2HA       GLY  18   8.168   1.268   0.592
  107    H    SER  19           H        SER  19  11.109   3.217   0.083
  108    HA   SER  19           HA       SER  19  11.174   4.142   2.790
  109   1HB   SER  19          1HB       SER  19  13.022   4.698   0.440
  110   2HB   SER  19          2HB       SER  19  13.400   4.694   2.170
  111    HG   SER  19           HG       SER  19  14.041   2.736   1.114
  112    H    LYS  20           HN       LYS  20  10.308   5.681  -0.361
  113    HA   LYS  20           HA       LYS  20  11.097   8.298   0.730
  114   1HB   LYS  20          2HB       LYS  20  10.827   9.264  -1.249
  115   2HB   LYS  20          1HB       LYS  20  11.355   7.652  -1.730
  116   1HG   LYS  20          2HG       LYS  20   9.013   7.096  -2.338
  117   2HG   LYS  20          1HG       LYS  20   8.462   8.650  -1.728
  118   1HD   LYS  20          2HD       LYS  20   8.553   9.123  -3.962
  119   2HD   LYS  20          1HD       LYS  20  10.109   9.733  -3.406
  120   1HE   LYS  20          2HE       LYS  20  10.593   8.556  -5.405
  121   2HE   LYS  20          1HE       LYS  20  11.068   7.425  -4.130
  122   1HZ   LYS  20          2HZ       LYS  20   8.859   6.417  -4.424
  123   2HZ   LYS  20          3HZ       LYS  20   8.571   7.408  -5.705
  124   3HZ   LYS  20          1HZ       LYS  20   9.792   6.312  -5.778
  125    H    ALA  21           H        ALA  21   9.758   9.876   1.482
  126    HA   ALA  21           HA       ALA  21   7.160   9.057   2.493
  127   1HB   ALA  21          2HB       ALA  21   8.666  10.563   3.750
  128   2HB   ALA  21          3HB       ALA  21   8.513  11.791   2.472
  129   3HB   ALA  21          1HB       ALA  21   7.093  11.304   3.427
  130    H    ALA  22           H        ALA  22   5.721   8.676   0.882
  131    HA   ALA  22           HA       ALA  22   5.586  10.036  -1.593
  132   1HB   ALA  22          1HB       ALA  22   4.697   7.764  -1.143
  133   2HB   ALA  22          2HB       ALA  22   3.368   8.474  -0.204
  134   3HB   ALA  22          3HB       ALA  22   3.514   8.805  -1.939
  135    H    MET  23           H        MET  23   3.148  10.825  -2.184
  136    HA   MET  23           HA       MET  23   2.966  13.431  -1.948
  137   1HB   MET  23          2HB       MET  23   0.571  11.557  -1.801
  138   2HB   MET  23          1HB       MET  23   0.488  13.275  -2.206
  139   1HG   MET  23          1HG       MET  23   1.971  11.159  -3.809
  140   2HG   MET  23          2HG       MET  23   0.415  11.887  -4.202
  141   1HE   MET  23          2HE       MET  23   2.923  11.615  -6.161
  142   2HE   MET  23          3HE       MET  23   1.356  12.310  -6.655
  143   3HE   MET  23          1HE       MET  23   2.864  13.198  -6.972
  144    H    GLY  24           H        GLY  24   2.939  14.941  -0.457
  145   1HA   GLY  24          2HA       GLY  24   2.421  16.154   1.398
  146   2HA   GLY  24          1HA       GLY  24   1.085  15.046   1.721
  147    H    SER  25           H        SER  25   4.548  14.189   1.480
  148    HA   SER  25           HA       SER  25   6.016  13.279   2.924
  149   1HB   SER  25          1HB       SER  25   4.679  15.025   5.032
  150   2HB   SER  25          2HB       SER  25   6.275  14.259   5.114
  151    HG   SER  25           HG       SER  25   5.452  16.147   3.145
  152    H    ALA  26           H        ALA  26   4.182  11.591   2.344
  153    HA   ALA  26           HA       ALA  26   2.504  10.564   4.421
  154   1HB   ALA  26          3HB       ALA  26   3.664   9.344   1.892
  155   2HB   ALA  26          1HB       ALA  26   2.431   8.566   2.871
  156   3HB   ALA  26          2HB       ALA  26   2.076  10.124   2.072
  157    H    LYS  27           HN       LYS  27   2.730   8.704   5.773
  158    HA   LYS  27           HA       LYS  27   5.133   8.037   6.931
  159   1HB   LYS  27          2HB       LYS  27   2.400   7.386   7.148
  160   2HB   LYS  27          1HB       LYS  27   3.128   5.846   6.741
  161   1HG   LYS  27          2HG       LYS  27   3.994   7.703   8.975
  162   2HG   LYS  27          1HG       LYS  27   2.844   6.366   9.116
  163   1HD   LYS  27          1HD       LYS  27   4.748   4.844   8.143
  164   2HD   LYS  27          2HD       LYS  27   5.830   6.197   8.488
  165   1HE   LYS  27          2HE       LYS  27   5.948   4.662  10.332
  166   2HE   LYS  27          1HE       LYS  27   5.083   6.099  10.904
  167   1HZ   LYS  27          2HZ       LYS  27   3.841   3.585  10.000
  168   2HZ   LYS  27          1HZ       LYS  27   4.040   4.043  11.571
  169   3HZ   LYS  27          3HZ       LYS  27   3.036   4.897  10.586
  170    HA   PRO  28           HA       PRO  28   6.726   5.724   3.370
  171   1HB   PRO  28          1HB       PRO  28   8.752   4.826   5.456
  172   2HB   PRO  28          2HB       PRO  28   9.058   5.306   3.761
  173   1HG   PRO  28          1HG       PRO  28   9.558   7.076   5.745
  174   2HG   PRO  28          2HG       PRO  28   8.681   7.622   4.285
  175   1HD   PRO  28          2HD       PRO  28   7.511   6.832   6.967
  176   2HD   PRO  28          1HD       PRO  28   7.150   8.262   5.955
  177    H    VAL  29           H        VAL  29   6.842   3.478   2.784
  178    HA   VAL  29           HA       VAL  29   4.904   1.872   4.344
  179    HB   VAL  29           HB       VAL  29   6.112   1.889   1.562
  180   1HG1  VAL  29          1HG1      VAL  29   4.958  -0.659   2.755
  181   2HG1  VAL  29          3HG1      VAL  29   5.254  -0.344   1.033
  182   3HG1  VAL  29          2HG1      VAL  29   6.616  -0.440   2.142
  183   1HG2  VAL  29          2HG2      VAL  29   3.862   2.855   2.198
  184   2HG2  VAL  29          3HG2      VAL  29   3.793   1.626   0.909
  185   3HG2  VAL  29          1HG2      VAL  29   3.352   1.194   2.570
  186    H    LYS  30           HN       LYS  30   8.295   1.843   3.375
  187    HA   LYS  30           HA       LYS  30   9.393  -0.447   3.604
  188   1HB   LYS  30          2HB       LYS  30  10.566   1.736   3.628
  189   2HB   LYS  30          1HB       LYS  30  10.453   1.754   5.400
  190   1HG   LYS  30          1HG       LYS  30  11.667  -0.472   5.415
  191   2HG   LYS  30          2HG       LYS  30  11.775  -0.388   3.656
  192   1HD   LYS  30          2HD       LYS  30  13.011   1.835   3.934
  193   2HD   LYS  30          1HD       LYS  30  13.058   1.496   5.675
  194   1HE   LYS  30          1HE       LYS  30  14.314  -0.135   3.415
  195   2HE   LYS  30          2HE       LYS  30  15.157   0.763   4.689
  196   1HZ   LYS  30          2HZ       LYS  30  14.112  -0.803   6.262
  197   2HZ   LYS  30          3HZ       LYS  30  13.519  -1.659   4.975
  198   3HZ   LYS  30          1HZ       LYS  30  15.140  -1.528   5.192
  199    H    GLY  31           H        GLY  31   8.166  -1.993   4.536
  200   1HA   GLY  31          1HA       GLY  31   7.282  -3.364   6.091
  201   2HA   GLY  31          2HA       GLY  31   8.907  -3.243   6.754
  202    H    GLN  32           H        GLN  32   6.125  -0.947   6.762
  203    HA   GLN  32           HA       GLN  32   6.324  -0.109   9.397
  204   1HB   GLN  32          2HB       GLN  32   3.521  -0.775   8.418
  205   2HB   GLN  32          1HB       GLN  32   4.069   0.510   9.493
  206   1HG   GLN  32          2HG       GLN  32   5.366   1.378   7.438
  207   2HG   GLN  32          1HG       GLN  32   4.341   0.265   6.507
  208   1HE2  GLN  32          1HE2      GLN  32   2.700   3.613   6.374
  209   2HE2  GLN  32          2HE2      GLN  32   4.374   3.138   6.169
  210    H    GLY  33           H        GLY  33   4.412  -2.688   8.366
  211   1HA   GLY  33          2HA       GLY  33   5.355  -4.902   9.778
  212   2HA   GLY  33          1HA       GLY  33   4.190  -4.161  10.898
  213    H    ALA  34           H        ALA  34   4.220  -6.703   8.918
  214    HA   ALA  34           HA       ALA  34   2.327  -6.540   6.993
  215   1HB   ALA  34          3HB       ALA  34   3.460  -8.664   7.580
  216   2HB   ALA  34          1HB       ALA  34   2.429  -8.808   9.019
  217   3HB   ALA  34          2HB       ALA  34   1.716  -8.862   7.394
  218    H    GLU  35           HN       GLU  35   1.532  -6.713  10.470
  219    HA   GLU  35           HA       GLU  35  -1.288  -6.909  10.244
  220   1HB   GLU  35          2HB       GLU  35   0.536  -5.611  12.341
  221   2HB   GLU  35          1HB       GLU  35  -1.200  -5.775  12.510
  222   1HG   GLU  35          2HG       GLU  35  -0.174  -7.591  13.705
  223   2HG   GLU  35          1HG       GLU  35  -0.993  -8.262  12.290
  224    H    GLU  36           HN       GLU  36   0.831  -4.092  10.602
  225    HA   GLU  36           HA       GLU  36  -1.120  -2.013  10.537
  226   1HB   GLU  36          1HB       GLU  36   1.857  -2.141   9.800
  227   2HB   GLU  36          2HB       GLU  36   0.975  -0.653   9.820
  228   1HG   GLU  36          2HG       GLU  36   1.282  -2.528  12.225
  229   2HG   GLU  36          1HG       GLU  36   2.317  -1.142  11.872
  230    H    LEU  37           H        LEU  37   1.069  -3.258   8.056
  231    HA   LEU  37           HA       LEU  37   0.182  -1.712   5.880
  232   1HB   LEU  37          1HB       LEU  37   1.428  -4.487   6.055
  233   2HB   LEU  37          2HB       LEU  37   1.221  -3.616   4.539
  234    HG   LEU  37           HG       LEU  37   2.782  -2.340   6.832
  235   1HD1  LEU  37          1HD2      LEU  37   3.804  -4.279   4.728
  236   2HD1  LEU  37          2HD2      LEU  37   4.837  -3.271   5.764
  237   3HD1  LEU  37          3HD2      LEU  37   3.820  -4.534   6.471
  238   1HD2  LEU  37          2HD1      LEU  37   2.837  -2.037   3.808
  239   2HD2  LEU  37          1HD1      LEU  37   2.210  -0.860   4.989
  240   3HD2  LEU  37          3HD1      LEU  37   3.939  -1.238   4.925
  241    H    TYR  38           HN       TYR  38  -0.862  -5.021   6.857
  242    HA   TYR  38           HA       TYR  38  -2.720  -5.435   4.782
  243   1HB   TYR  38          1HB       TYR  38  -2.018  -7.118   6.517
  244   2HB   TYR  38          2HB       TYR  38  -2.974  -6.328   7.701
  245    HD1  TYR  38           HE2      TYR  38  -3.540  -7.478   4.126
  246    HD2  TYR  38           HD1      TYR  38  -5.055  -7.292   8.163
  247    HE1  TYR  38           HE1      TYR  38  -5.663  -8.494   3.379
  248    HE2  TYR  38           HD2      TYR  38  -7.154  -8.369   7.413
  249    HH   TYR  38           HH       TYR  38  -7.757  -9.349   4.030
  250    H    LYS  39           HN       LYS  39  -3.352  -4.395   8.050
  251    HA   LYS  39           HA       LYS  39  -6.088  -3.798   7.641
  252   1HB   LYS  39          1HB       LYS  39  -4.067  -2.550   9.577
  253   2HB   LYS  39          2HB       LYS  39  -5.804  -2.231   9.670
  254   1HG   LYS  39          2HG       LYS  39  -6.295  -4.579  10.079
  255   2HG   LYS  39          1HG       LYS  39  -4.611  -5.035   9.769
  256   1HD   LYS  39          2HD       LYS  39  -3.867  -3.705  11.727
  257   2HD   LYS  39          1HD       LYS  39  -5.543  -3.221  12.039
  258   1HE   LYS  39          1HE       LYS  39  -4.895  -5.051  13.534
  259   2HE   LYS  39          2HE       LYS  39  -6.171  -5.592  12.430
  260   1HZ   LYS  39          2HZ       LYS  39  -3.297  -6.104  12.084
  261   2HZ   LYS  39          1HZ       LYS  39  -4.396  -7.187  12.666
  262   3HZ   LYS  39          3HZ       LYS  39  -4.502  -6.659  11.110
  263    H    LYS  40           HN       LYS  40  -3.332  -1.443   7.289
  264    HA   LYS  40           HA       LYS  40  -5.061   0.739   6.604
  265   1HB   LYS  40          1HB       LYS  40  -2.101   0.033   6.238
  266   2HB   LYS  40          2HB       LYS  40  -2.787   1.603   5.901
  267   1HG   LYS  40          1HG       LYS  40  -3.492   1.891   8.245
  268   2HG   LYS  40          2HG       LYS  40  -2.974   0.254   8.638
  269   1HD   LYS  40          1HD       LYS  40  -0.629   0.888   7.911
  270   2HD   LYS  40          2HD       LYS  40  -1.202   2.568   7.797
  271   1HE   LYS  40          2HE       LYS  40  -1.839   2.479  10.212
  272   2HE   LYS  40          1HE       LYS  40  -1.220   0.818  10.286
  273   1HZ   LYS  40          1HZ       LYS  40   0.924   1.763   9.517
  274   2HZ   LYS  40          3HZ       LYS  40   0.302   3.265   9.758
  275   3HZ   LYS  40          2HZ       LYS  40   0.454   2.222  11.034
  276    H    MET  41           H        MET  41  -3.257  -1.726   4.596
  277    HA   MET  41           HA       MET  41  -4.031  -0.389   2.178
  278   1HB   MET  41          1HB       MET  41  -3.127  -2.002   0.967
  279   2HB   MET  41          2HB       MET  41  -2.025  -1.777   2.341
  280   1HG   MET  41          1HG       MET  41  -1.935  -4.169   2.031
  281   2HG   MET  41          2HG       MET  41  -3.303  -3.992   3.165
  282   1HE   MET  41          1HE       MET  41  -2.101  -3.638  -0.376
  283   2HE   MET  41          3HE       MET  41  -3.173  -4.688  -1.327
  284   3HE   MET  41          2HE       MET  41  -3.674  -3.037  -0.945
  285    H    LYS  42           HN       LYS  42  -5.485  -3.078   4.015
  286    HA   LYS  42           HA       LYS  42  -7.757  -3.525   2.394
  287   1HB   LYS  42          1HB       LYS  42  -6.990  -4.822   4.485
  288   2HB   LYS  42          2HB       LYS  42  -7.659  -3.508   5.446
  289   1HG   LYS  42          2HG       LYS  42  -9.882  -3.874   4.477
  290   2HG   LYS  42          1HG       LYS  42  -9.243  -5.149   3.419
  291   1HD   LYS  42          1HD       LYS  42  -8.545  -6.441   5.446
  292   2HD   LYS  42          2HD       LYS  42  -9.277  -5.203   6.478
  293   1HE   LYS  42          2HE       LYS  42 -10.746  -6.894   4.391
  294   2HE   LYS  42          1HE       LYS  42 -10.752  -7.184   6.137
  295   1HZ   LYS  42          3HZ       LYS  42 -11.777  -5.041   6.429
  296   2HZ   LYS  42          2HZ       LYS  42 -11.804  -4.781   4.802
  297   3HZ   LYS  42          1HZ       LYS  42 -12.689  -6.006   5.455
  298    H    GLY  43           H        GLY  43  -7.072  -1.193   4.961
  299   1HA   GLY  43          1HA       GLY  43  -9.223   0.424   5.392
  300   2HA   GLY  43          2HA       GLY  43  -7.576   0.884   5.185
  301    H    TYR  44           H        TYR  44  -6.717   1.009   3.032
  302    HA   TYR  44           HA       TYR  44  -7.993   3.056   1.504
  303   1HB   TYR  44          1HB       TYR  44  -5.646   1.221   0.910
  304   2HB   TYR  44          2HB       TYR  44  -6.136   2.524  -0.172
  305    HD1  TYR  44           HD1      TYR  44  -6.515   4.887   1.276
  306    HD2  TYR  44           HD2      TYR  44  -3.559   1.813   1.838
  307    HE1  TYR  44           HE1      TYR  44  -5.170   6.430   2.674
  308    HE2  TYR  44           HE2      TYR  44  -2.119   3.436   3.031
  309    HH   TYR  44           HH       TYR  44  -2.149   5.408   4.283
  310    H    ALA  45           H        ALA  45  -7.480  -0.423   0.710
  311    HA   ALA  45           HA       ALA  45  -8.795  -0.434  -1.769
  312   1HB   ALA  45          3HB       ALA  45  -7.409  -2.294  -0.906
  313   2HB   ALA  45          1HB       ALA  45  -8.658  -2.647   0.311
  314   3HB   ALA  45          2HB       ALA  45  -9.011  -2.861  -1.416
  315    H    ASP  46           HN       ASP  46 -10.182  -0.668   1.509
  316    HA   ASP  46           HA       ASP  46 -12.895  -1.132   0.438
  317   1HB   ASP  46          2HB       ASP  46 -11.854  -0.683   3.266
  318   2HB   ASP  46          1HB       ASP  46 -13.522  -1.082   2.843
  319    H    GLY  47           H        GLY  47 -11.106   1.564   0.207
  320   1HA   GLY  47          2HA       GLY  47 -11.465   3.798   0.238
  321   2HA   GLY  47          1HA       GLY  47 -13.135   3.390  -0.194
  322    H    SER  48           H        SER  48 -11.504   2.542   2.845
  323    HA   SER  48           HA       SER  48 -13.542   4.151   4.364
  324   1HB   SER  48          2HB       SER  48 -12.009   1.630   5.134
  325   2HB   SER  48          1HB       SER  48 -13.201   2.486   6.130
  326    HG   SER  48           HG       SER  48 -13.838   1.550   3.512
  327    H    TYR  49           H        TYR  49 -10.171   2.963   4.435
  328    HA   TYR  49           HA       TYR  49  -9.323   5.119   6.312
  329   1HB   TYR  49          2HB       TYR  49  -8.396   2.675   6.483
  330   2HB   TYR  49          1HB       TYR  49  -7.837   2.949   4.854
  331    HD1  TYR  49           HD1      TYR  49  -7.476   4.443   8.255
  332    HD2  TYR  49           HD2      TYR  49  -5.682   3.346   4.497
  333    HE1  TYR  49           HE1      TYR  49  -5.242   4.837   9.200
  334    HE2  TYR  49           HE2      TYR  49  -3.479   3.681   5.436
  335    HH   TYR  49           HH       TYR  49  -2.262   4.690   7.177
  336    H    GLY  50           H        GLY  50  -9.587   7.075   4.856
  337   1HA   GLY  50          2HA       GLY  50  -7.440   7.357   3.013
  338   2HA   GLY  50          1HA       GLY  50  -8.907   6.956   2.112
  339    H    GLY  51           H        GLY  51  -8.102   9.151   1.247
  340   1HA   GLY  51          1HA       GLY  51  -9.935  11.191   1.916
  341   2HA   GLY  51          2HA       GLY  51  -8.315  11.601   2.543
  342    H    GLU  52           HN       GLU  52  -9.282  13.163   0.524
  343    HA   GLU  52           HA       GLU  52  -9.124  12.573  -2.101
  344   1HB   GLU  52          1HB       GLU  52  -7.873  15.095  -0.910
  345   2HB   GLU  52          2HB       GLU  52  -8.442  14.843  -2.560
  346   1HG   GLU  52          1HG       GLU  52 -10.244  15.950  -1.694
  347   2HG   GLU  52          2HG       GLU  52 -10.763  14.289  -1.400
  348    H    ARG  53           HN       ARG  53  -6.174  13.606  -0.291
  349    HA   ARG  53           HA       ARG  53  -4.306  13.337  -2.279
  350   1HB   ARG  53          1HB       ARG  53  -2.726  13.241  -0.444
  351   2HB   ARG  53          2HB       ARG  53  -3.995  14.410  -0.106
  352   1HG   ARG  53          2HG       ARG  53  -5.136  12.636   1.342
  353   2HG   ARG  53          1HG       ARG  53  -3.735  11.604   1.065
  354   1HD   ARG  53          1HD       ARG  53  -3.487  14.392   2.252
  355   2HD   ARG  53          2HD       ARG  53  -3.769  12.939   3.227
  356    HE   ARG  53           HE       ARG  53  -1.539  12.544   1.455
  357   1HH1  ARG  53          2HH1      ARG  53  -2.430  14.257   4.422
  358   2HH1  ARG  53          1HH1      ARG  53  -0.832  14.150   5.114
  359   1HH2  ARG  53          1HH2      ARG  53   0.542  12.442   2.340
  360   2HH2  ARG  53          2HH2      ARG  53   0.914  13.226   3.848
  361    H    LYS  54           HN       LYS  54  -5.911  10.710  -0.591
  362    HA   LYS  54           HA       LYS  54  -3.814   8.732  -1.213
  363   1HB   LYS  54          1HB       LYS  54  -6.527   8.197  -0.020
  364   2HB   LYS  54          2HB       LYS  54  -5.051   7.261   0.154
  365   1HG   LYS  54          1HG       LYS  54  -5.568  10.026   1.370
  366   2HG   LYS  54          2HG       LYS  54  -5.784   8.510   2.192
  367   1HD   LYS  54          1HD       LYS  54  -3.374   7.985   2.028
  368   2HD   LYS  54          2HD       LYS  54  -3.100   9.516   1.193
  369   1HE   LYS  54          1HE       LYS  54  -4.316  10.623   3.238
  370   2HE   LYS  54          2HE       LYS  54  -4.143   9.060   4.043
  371   1HZ   LYS  54          2HZ       LYS  54  -1.905  10.635   2.976
  372   2HZ   LYS  54          1HZ       LYS  54  -2.424  10.690   4.534
  373   3HZ   LYS  54          3HZ       LYS  54  -1.818   9.292   3.937
  374    H    ALA  55           H        ALA  55  -6.860   9.947  -2.465
  375    HA   ALA  55           HA       ALA  55  -8.331   8.069  -3.524
  376   1HB   ALA  55          2HB       ALA  55  -8.712  10.431  -3.924
  377   2HB   ALA  55          3HB       ALA  55  -7.370  10.486  -5.092
  378   3HB   ALA  55          1HB       ALA  55  -8.826   9.533  -5.447
  379    H    MET  56           H        MET  56  -5.395   9.002  -5.339
  380    HA   MET  56           HA       MET  56  -5.739   7.275  -7.551
  381   1HB   MET  56          1HB       MET  56  -3.134   8.188  -6.223
  382   2HB   MET  56          2HB       MET  56  -3.284   7.428  -7.805
  383   1HG   MET  56          1HG       MET  56  -3.061   9.699  -8.269
  384   2HG   MET  56          2HG       MET  56  -4.763   9.338  -8.529
  385   1HE   MET  56          3HE       MET  56  -2.069  10.990  -6.276
  386   2HE   MET  56          2HE       MET  56  -3.028  11.899  -5.086
  387   3HE   MET  56          1HE       MET  56  -2.945  10.132  -4.980
  388    H    MET  57           H        MET  57  -4.001   6.761  -4.484
  389    HA   MET  57           HA       MET  57  -3.173   4.045  -5.021
  390   1HB   MET  57          2HB       MET  57  -1.939   5.357  -3.443
  391   2HB   MET  57          1HB       MET  57  -3.393   5.749  -2.524
  392   1HG   MET  57          2HG       MET  57  -3.661   3.430  -1.808
  393   2HG   MET  57          1HG       MET  57  -2.261   2.943  -2.777
  394   1HE   MET  57          2HE       MET  57  -3.503   5.429  -0.033
  395   2HE   MET  57          1HE       MET  57  -2.039   5.728   0.936
  396   3HE   MET  57          3HE       MET  57  -2.191   6.446  -0.675
  397    H    THR  58           H        THR  58  -5.837   5.605  -3.104
  398    HA   THR  58           HA       THR  58  -7.071   3.387  -2.071
  399    HB   THR  58           HB       THR  58  -8.619   5.682  -3.321
  400    HG1  THR  58           HG1      THR  58  -8.032   6.851  -1.467
  401   1HG2  THR  58          2HG2      THR  58  -9.865   3.850  -2.083
  402   2HG2  THR  58          1HG2      THR  58  -8.955   4.332  -0.629
  403   3HG2  THR  58          3HG2      THR  58 -10.057   5.480  -1.406
  404    H    ASN  59           H        ASN  59  -7.763   4.819  -5.320
  405    HA   ASN  59           HA       ASN  59  -9.568   2.734  -6.057
  406   1HB   ASN  59          1HB       ASN  59  -9.310   5.046  -7.112
  407   2HB   ASN  59          2HB       ASN  59  -7.950   4.383  -8.024
  408   1HD2  ASN  59          1HD2      ASN  59 -10.755   2.004  -9.397
  409   2HD2  ASN  59          2HD2      ASN  59  -9.557   1.572  -8.192
  410    H    ALA  60           H        ALA  60  -6.001   3.150  -6.554
  411    HA   ALA  60           HA       ALA  60  -5.671   0.959  -8.310
  412   1HB   ALA  60          2HB       ALA  60  -3.928   2.644  -7.876
  413   2HB   ALA  60          3HB       ALA  60  -3.694   1.996  -6.239
  414   3HB   ALA  60          1HB       ALA  60  -3.329   0.990  -7.651
  415    H    VAL  61           H        VAL  61  -5.214   0.980  -4.703
  416    HA   VAL  61           HA       VAL  61  -4.882  -1.874  -4.640
  417    HB   VAL  61           HB       VAL  61  -5.207  -1.721  -2.227
  418   1HG1  VAL  61          2HG2      VAL  61  -2.987  -1.425  -3.222
  419   2HG1  VAL  61          1HG2      VAL  61  -3.263   0.323  -3.385
  420   3HG1  VAL  61          3HG2      VAL  61  -3.166  -0.415  -1.774
  421   1HG2  VAL  61          1HG1      VAL  61  -6.781   0.362  -2.346
  422   2HG2  VAL  61          3HG1      VAL  61  -5.609   0.188  -1.032
  423   3HG2  VAL  61          2HG1      VAL  61  -5.273   1.289  -2.366
  424    H    LYS  62           HN       LYS  62  -7.832   0.149  -4.586
  425    HA   LYS  62           HA       LYS  62  -9.618  -1.810  -3.635
  426   1HB   LYS  62          2HB       LYS  62 -10.175   0.523  -3.965
  427   2HB   LYS  62          1HB       LYS  62 -10.041   0.357  -5.726
  428   1HG   LYS  62          2HG       LYS  62 -11.923  -1.232  -5.733
  429   2HG   LYS  62          1HG       LYS  62 -12.075  -1.074  -3.981
  430   1HD   LYS  62          1HD       LYS  62 -12.409   1.134  -6.080
  431   2HD   LYS  62          2HD       LYS  62 -13.721   0.307  -5.238
  432   1HE   LYS  62          2HE       LYS  62 -11.661   2.176  -3.965
  433   2HE   LYS  62          1HE       LYS  62 -13.362   2.519  -4.281
  434   1HZ   LYS  62          2HZ       LYS  62 -13.947   0.767  -2.762
  435   2HZ   LYS  62          3HZ       LYS  62 -12.357   0.464  -2.445
  436   3HZ   LYS  62          1HZ       LYS  62 -13.018   1.910  -2.021
  437    H    LYS  63           HN       LYS  63  -7.835  -1.731  -6.711
  438    HA   LYS  63           HA       LYS  63  -9.696  -3.518  -8.022
  439   1HB   LYS  63          2HB       LYS  63  -6.818  -2.991  -8.787
  440   2HB   LYS  63          1HB       LYS  63  -8.108  -3.636  -9.801
  441   1HG   LYS  63          2HG       LYS  63  -7.753  -0.825  -8.746
  442   2HG   LYS  63          1HG       LYS  63  -7.783  -1.344 -10.414
  443   1HD   LYS  63          1HD       LYS  63 -10.162  -1.291  -8.475
  444   2HD   LYS  63          2HD       LYS  63  -9.844  -0.153  -9.768
  445   1HE   LYS  63          1HE       LYS  63 -10.453  -3.123 -10.173
  446   2HE   LYS  63          2HE       LYS  63 -11.570  -1.779 -10.431
  447   1HZ   LYS  63          2HZ       LYS  63 -10.089  -0.958 -12.124
  448   2HZ   LYS  63          1HZ       LYS  63  -9.070  -2.235 -11.895
  449   3HZ   LYS  63          3HZ       LYS  63 -10.594  -2.490 -12.462
  450    H    ALA  64           H        ALA  64  -7.258  -4.012  -5.608
  451    HA   ALA  64           HA       ALA  64  -6.438  -6.708  -6.486
  452   1HB   ALA  64          1HB       ALA  64  -5.713  -4.965  -4.103
  453   2HB   ALA  64          2HB       ALA  64  -4.995  -6.531  -4.493
  454   3HB   ALA  64          3HB       ALA  64  -4.783  -5.163  -5.596
  455    H    SER  65           H        SER  65  -6.944  -8.572  -5.348
  456    HA   SER  65           HA       SER  65  -9.551  -8.602  -3.976
  457   1HB   SER  65          1HB       SER  65  -9.198 -11.090  -4.235
  458   2HB   SER  65          2HB       SER  65  -9.112 -10.197  -5.765
  459    HG   SER  65           HG       SER  65  -7.339 -11.596  -5.616
  460    H    ASP  66           HN       ASP  66  -9.655 -10.176  -1.975
  461    HA   ASP  66           HA       ASP  66  -8.059  -9.164   0.094
  462   1HB   ASP  66          1HB       ASP  66 -10.165 -10.288   0.549
  463   2HB   ASP  66          2HB       ASP  66  -9.494 -11.836  -0.005
  464    H    GLU  67           HN       GLU  67  -7.542 -12.094  -1.889
  465    HA   GLU  67           HA       GLU  67  -5.333 -13.128  -0.471
  466   1HB   GLU  67          2HB       GLU  67  -6.573 -14.324  -2.292
  467   2HB   GLU  67          1HB       GLU  67  -5.846 -13.227  -3.483
  468   1HG   GLU  67          2HG       GLU  67  -4.667 -15.393  -3.384
  469   2HG   GLU  67          1HG       GLU  67  -3.601 -14.062  -2.930
  470    H    GLU  68           HN       GLU  68  -5.454 -10.873  -3.205
  471    HA   GLU  68           HA       GLU  68  -2.664 -10.373  -3.371
  472   1HB   GLU  68          1HB       GLU  68  -5.123  -8.754  -4.097
  473   2HB   GLU  68          2HB       GLU  68  -3.506  -8.241  -4.493
  474   1HG   GLU  68          2HG       GLU  68  -4.699 -10.894  -5.422
  475   2HG   GLU  68          1HG       GLU  68  -4.806  -9.374  -6.333
  476    H    LEU  69           H        LEU  69  -5.304  -8.779  -1.471
  477    HA   LEU  69           HA       LEU  69  -3.711  -6.692  -0.531
  478   1HB   LEU  69          1HB       LEU  69  -6.017  -8.148   0.872
  479   2HB   LEU  69          2HB       LEU  69  -5.313  -6.696   1.479
  480    HG   LEU  69           HG       LEU  69  -7.348  -7.118  -0.558
  481   1HD1  LEU  69          1HD1      LEU  69  -7.435  -5.749   1.627
  482   2HD1  LEU  69          3HD1      LEU  69  -6.551  -4.491   0.751
  483   3HD1  LEU  69          2HD1      LEU  69  -8.130  -4.985   0.174
  484   1HD2  LEU  69          1HD2      LEU  69  -5.578  -6.401  -2.166
  485   2HD2  LEU  69          2HD2      LEU  69  -6.969  -5.309  -2.029
  486   3HD2  LEU  69          3HD2      LEU  69  -5.451  -4.871  -1.274
  487    H    LYS  70           HN       LYS  70  -4.362  -9.872   0.957
  488    HA   LYS  70           HA       LYS  70  -2.712  -9.559   3.267
  489   1HB   LYS  70          1HB       LYS  70  -3.474 -12.020   1.643
  490   2HB   LYS  70          2HB       LYS  70  -2.633 -12.086   3.201
  491   1HG   LYS  70          1HG       LYS  70  -4.503 -10.921   4.303
  492   2HG   LYS  70          2HG       LYS  70  -5.396 -10.860   2.779
  493   1HD   LYS  70          2HD       LYS  70  -4.570 -13.388   4.278
  494   2HD   LYS  70          1HD       LYS  70  -6.189 -12.669   4.221
  495   1HE   LYS  70          1HE       LYS  70  -6.150 -12.966   1.702
  496   2HE   LYS  70          2HE       LYS  70  -4.658 -13.913   1.889
  497   1HZ   LYS  70          2HZ       LYS  70  -5.883 -15.403   3.305
  498   2HZ   LYS  70          3HZ       LYS  70  -7.266 -14.533   3.067
  499   3HZ   LYS  70          1HZ       LYS  70  -6.548 -15.305   1.800
  500    H    ALA  71           H        ALA  71  -2.013 -10.824  -0.017
  501    HA   ALA  71           HA       ALA  71   0.719 -11.323   0.552
  502   1HB   ALA  71          1HB       ALA  71  -0.544 -12.293  -1.379
  503   2HB   ALA  71          3HB       ALA  71  -0.593 -10.683  -2.130
  504   3HB   ALA  71          2HB       ALA  71   0.965 -11.507  -1.890
  505    H    LEU  72           H        LEU  72  -0.876  -8.222  -0.489
  506    HA   LEU  72           HA       LEU  72   1.579  -7.024  -1.210
  507   1HB   LEU  72          1HB       LEU  72  -1.112  -6.341  -1.292
  508   2HB   LEU  72          2HB       LEU  72  -0.602  -5.378   0.060
  509    HG   LEU  72           HG       LEU  72  -0.002  -3.796  -1.362
  510   1HD1  LEU  72          2HD1      LEU  72   2.338  -4.768  -1.340
  511   2HD1  LEU  72          3HD1      LEU  72   1.921  -5.610  -2.845
  512   3HD1  LEU  72          1HD1      LEU  72   1.912  -3.847  -2.788
  513   1HD2  LEU  72          1HD2      LEU  72  -0.470  -5.862  -3.521
  514   2HD2  LEU  72          2HD2      LEU  72  -1.659  -4.698  -2.915
  515   3HD2  LEU  72          3HD2      LEU  72  -0.265  -4.125  -3.836
  516    H    ALA  73           H        ALA  73  -0.405  -7.051   1.756
  517    HA   ALA  73           HA       ALA  73   1.267  -5.590   3.451
  518   1HB   ALA  73          1HB       ALA  73  -1.035  -6.360   3.912
  519   2HB   ALA  73          2HB       ALA  73  -0.449  -8.005   4.196
  520   3HB   ALA  73          3HB       ALA  73   0.082  -6.688   5.260
  521    H    ASP  74           HN       ASP  74   1.214  -9.179   2.996
  522    HA   ASP  74           HA       ASP  74   3.344  -9.782   4.717
  523   1HB   ASP  74          2HB       ASP  74   1.931 -11.518   3.742
  524   2HB   ASP  74          1HB       ASP  74   2.525 -11.139   2.115
  525    H    TYR  75           H        TYR  75   3.485  -9.173   1.161
  526    HA   TYR  75           HA       TYR  75   6.248  -9.403   0.841
  527   1HB   TYR  75          2HB       TYR  75   4.549  -9.269  -0.963
  528   2HB   TYR  75          1HB       TYR  75   4.328  -7.554  -0.642
  529    HD1  TYR  75           HD2      TYR  75   6.161  -5.924  -1.199
  530    HD2  TYR  75           HD1      TYR  75   6.497 -10.125  -2.120
  531    HE1  TYR  75           HE2      TYR  75   8.154  -5.468  -2.591
  532    HE2  TYR  75           HE1      TYR  75   8.425  -9.639  -3.604
  533    HH   TYR  75           HH       TYR  75   9.738  -6.343  -4.013
  534    H    MET  76           H        MET  76   4.373  -6.288   1.384
  535    HA   MET  76           HA       MET  76   6.599  -4.635   1.475
  536   1HB   MET  76          2HB       MET  76   3.737  -4.576   2.493
  537   2HB   MET  76          1HB       MET  76   4.861  -3.264   2.771
  538   1HG   MET  76          1HG       MET  76   5.284  -3.072   0.338
  539   2HG   MET  76          2HG       MET  76   4.099  -4.340   0.043
  540   1HE   MET  76          2HE       MET  76   1.490  -4.013   0.605
  541   2HE   MET  76          3HE       MET  76   1.746  -3.346   2.227
  542   3HE   MET  76          1HE       MET  76   0.752  -2.471   1.042
  543    H    SER  77           H        SER  77   5.052  -6.608   4.041
  544    HA   SER  77           HA       SER  77   6.454  -5.424   6.196
  545   1HB   SER  77          1HB       SER  77   4.462  -6.955   6.299
  546   2HB   SER  77          2HB       SER  77   5.584  -8.313   6.090
  547    HG   SER  77           HG       SER  77   6.757  -7.315   7.919
  548    H    LYS  78           HN       LYS  78   7.910  -7.199   3.630
  549    HA   LYS  78           HA       LYS  78  10.126  -8.161   5.390
  550   1HB   LYS  78          2HB       LYS  78   9.756  -8.639   2.427
  551   2HB   LYS  78          1HB       LYS  78  10.806  -9.506   3.553
  552   1HG   LYS  78          1HG       LYS  78   7.774  -9.581   3.438
  553   2HG   LYS  78          2HG       LYS  78   8.873 -10.844   2.902
  554   1HD   LYS  78          1HD       LYS  78   9.590 -11.308   5.182
  555   2HD   LYS  78          2HD       LYS  78   8.728  -9.894   5.805
  556   1HE   LYS  78          2HE       LYS  78   7.475 -11.955   6.273
  557   2HE   LYS  78          1HE       LYS  78   6.565 -10.838   5.248
  558   1HZ   LYS  78          3HZ       LYS  78   8.031 -13.202   4.308
  559   2HZ   LYS  78          1HZ       LYS  78   6.394 -13.061   4.474
  560   3HZ   LYS  78          2HZ       LYS  78   7.183 -12.151   3.358
  561    H    LEU  79           H        LEU  79   9.324  -5.229   3.653
  562    HA   LEU  79           HA       LEU  79  11.897  -4.832   2.497
  563   1HB   LEU  79          2HB       LEU  79   9.242  -3.370   2.821
  564   2HB   LEU  79          1HB       LEU  79  10.618  -2.792   2.017
  565    HG   LEU  79           HG       LEU  79   9.094  -5.301   1.289
  566   1HD1  LEU  79          3HD2      LEU  79   8.024  -2.997   0.778
  567   2HD1  LEU  79          1HD2      LEU  79   9.316  -2.790  -0.414
  568   3HD1  LEU  79          2HD2      LEU  79   8.172  -4.128  -0.580
  569   1HD2  LEU  79          2HD1      LEU  79  11.514  -4.100  -0.092
  570   2HD2  LEU  79          3HD1      LEU  79  11.323  -5.741   0.564
  571   3HD2  LEU  79          1HD1      LEU  79  10.415  -5.261  -0.868
  572    HHA  HEC   1           HHA      HEM   1   1.181   5.087   3.291
  573    HHB  HEC   1           HHB      HEM   1   0.131  -0.275   0.012
  574    HHC  HEC   1           HHC      HEM   1   0.779   3.004  -5.423
  575    HHD  HEC   1           HHD      HEM   1   0.748   8.452  -2.094
  576   1HMA  HEC   1          1HMA      HEM   1  -0.233  -0.643   2.196
  577   2HMA  HEC   1          2HMA      HEM   1   0.282  -0.071   3.781
  578   3HMA  HEC   1          3HMA      HEM   1   1.498  -0.598   2.588
  579   1HAA  HEC   1          1HAA      HEM   1   1.963   1.603   4.506
  580   2HAA  HEC   1          2HAA      HEM   1   2.054   3.344   4.416
  581   1HBA  HEC   1          1HBA      HEM   1  -0.690   2.150   4.811
  582   2HBA  HEC   1          2HBA      HEM   1   0.462   1.891   6.121
  583   1HMB  HEC   1          1HMB      HEM   1  -0.902  -1.531  -1.839
  584   2HMB  HEC   1          2HMB      HEM   1   0.875  -1.682  -1.862
  585   3HMB  HEC   1          3HMB      HEM   1  -0.046  -1.884  -3.351
  586    HAB  HEC   1           HAB      HEM   1   0.465   1.024  -5.976
  587   1HBB  HEC   1          1HBB      HEM   1  -1.856   0.291  -5.618
  588   2HBB  HEC   1          2HBB      HEM   1  -1.264  -1.279  -5.046
  589   3HBB  HEC   1          3HBB      HEM   1  -0.925  -0.765  -6.702
  590   1HMC  HEC   1          1HMC      HEM   1   0.859   6.407  -7.026
  591   2HMC  HEC   1          2HMC      HEM   1   1.848   4.956  -6.784
  592   3HMC  HEC   1          3HMC      HEM   1   0.069   4.845  -6.801
  593    HAC  HEC   1           HAC      HEM   1   1.881   8.755  -3.996
  594   1HBC  HEC   1          1HBC      HEM   1  -0.066   8.396  -6.296
  595   2HBC  HEC   1          2HBC      HEM   1  -0.429   9.120  -4.716
  596   3HBC  HEC   1          3HBC      HEM   1   0.722   9.910  -5.822
  597   1HMD  HEC   1          1HMD      HEM   1  -0.754   9.525  -0.429
  598   2HMD  HEC   1          2HMD      HEM   1   0.918   9.955  -0.012
  599   3HMD  HEC   1          3HMD      HEM   1  -0.337   9.923   1.239
  600   1HAD  HEC   1          1HAD      HEM   1  -1.148   7.682   3.137
  601   2HAD  HEC   1          2HAD      HEM   1   0.150   8.878   3.115
  602   1HBD  HEC   1          1HBD      HEM   1  -0.011   6.273   4.580
  603   2HBD  HEC   1          2HBD      HEM   1   1.565   7.033   4.386
   
  No H/Q in entry =         603
  Start of MODEL   25
    1   1H    ALA   1          1H        ALA   1  -1.091 -11.929  -9.900
    2   2H    ALA   1          3H        ALA   1  -2.576 -12.705 -10.047
    3   3H    ALA   1          2H        ALA   1  -2.363 -11.421  -8.999
    4    HA   ALA   1           HA       ALA   1  -2.265 -13.207  -7.599
    5   1HB   ALA   1          3HB       ALA   1  -0.333 -14.446  -9.601
    6   2HB   ALA   1          1HB       ALA   1  -0.776 -15.122  -8.020
    7   3HB   ALA   1          2HB       ALA   1  -2.005 -14.970  -9.289
    8    H    ASP   2           HN       ASP   2  -0.637 -13.206  -5.905
    9    HA   ASP   2           HA       ASP   2   1.073 -12.479  -4.676
   10   1HB   ASP   2          1HB       ASP   2   2.388 -13.875  -6.149
   11   2HB   ASP   2          2HB       ASP   2   2.605 -12.540  -7.290
   12    H    GLY   3           H        GLY   3   0.515 -10.559  -3.859
   13   1HA   GLY   3          2HA       GLY   3   0.403  -8.031  -4.416
   14   2HA   GLY   3          1HA       GLY   3   1.423  -8.578  -3.068
   15    H    ALA   4           H        ALA   4   3.620  -9.713  -4.554
   16    HA   ALA   4           HA       ALA   4   5.270  -7.452  -4.860
   17   1HB   ALA   4          1HB       ALA   4   6.064  -9.801  -4.593
   18   2HB   ALA   4          2HB       ALA   4   5.566 -10.137  -6.266
   19   3HB   ALA   4          3HB       ALA   4   6.849  -8.955  -5.942
   20    H    ALA   5           H        ALA   5   3.246  -9.135  -7.271
   21    HA   ALA   5           HA       ALA   5   4.207  -7.841  -9.617
   22   1HB   ALA   5          2HB       ALA   5   2.842  -9.903  -9.626
   23   2HB   ALA   5          3HB       ALA   5   1.444  -8.980  -9.033
   24   3HB   ALA   5          1HB       ALA   5   2.128  -8.625 -10.631
   25    H    LEU   6           H        LEU   6   1.630  -6.872  -7.196
   26    HA   LEU   6           HA       LEU   6   0.640  -4.664  -8.645
   27   1HB   LEU   6          2HB       LEU   6   0.658  -5.575  -5.740
   28   2HB   LEU   6          1HB       LEU   6  -0.085  -4.143  -6.345
   29    HG   LEU   6           HG       LEU   6  -1.574  -5.408  -7.785
   30   1HD1  LEU   6          2HD2      LEU   6  -0.206  -7.907  -6.707
   31   2HD1  LEU   6          3HD2      LEU   6  -1.795  -7.893  -7.491
   32   3HD1  LEU   6          1HD2      LEU   6  -0.379  -7.405  -8.409
   33   1HD2  LEU   6          2HD1      LEU   6  -2.161  -4.906  -5.427
   34   2HD2  LEU   6          3HD1      LEU   6  -2.879  -6.432  -5.947
   35   3HD2  LEU   6          1HD1      LEU   6  -1.424  -6.439  -4.913
   36    H    TYR   7           H        TYR   7   2.977  -5.204  -5.978
   37    HA   TYR   7           HA       TYR   7   3.639  -2.650  -5.322
   38   1HB   TYR   7          2HB       TYR   7   4.490  -4.828  -4.317
   39   2HB   TYR   7          1HB       TYR   7   5.761  -4.814  -5.518
   40    HD1  TYR   7           HD2      TYR   7   4.198  -2.566  -2.940
   41    HD2  TYR   7           HD1      TYR   7   7.742  -3.506  -5.197
   42    HE1  TYR   7           HE2      TYR   7   5.428  -0.725  -1.804
   43    HE2  TYR   7           HE1      TYR   7   8.998  -1.781  -3.940
   44    HH   TYR   7           HH       TYR   7   8.823   0.016  -2.489
   45    H    LYS   8           HN       LYS   8   5.145  -4.524  -8.010
   46    HA   LYS   8           HA       LYS   8   7.169  -2.926  -8.789
   47   1HB   LYS   8          1HB       LYS   8   5.102  -4.573 -10.268
   48   2HB   LYS   8          2HB       LYS   8   6.448  -3.803 -11.061
   49   1HG   LYS   8          2HG       LYS   8   8.087  -4.985  -9.708
   50   2HG   LYS   8          1HG       LYS   8   6.803  -5.693  -8.728
   51   1HD   LYS   8          2HD       LYS   8   5.907  -6.782 -10.871
   52   2HD   LYS   8          1HD       LYS   8   7.355  -6.181 -11.687
   53   1HE   LYS   8          1HE       LYS   8   7.756  -8.482 -11.048
   54   2HE   LYS   8          2HE       LYS   8   8.770  -7.450 -10.026
   55   1HZ   LYS   8          3HZ       LYS   8   7.088  -7.679  -8.302
   56   2HZ   LYS   8          1HZ       LYS   8   6.200  -8.668  -9.271
   57   3HZ   LYS   8          2HZ       LYS   8   7.692  -9.143  -8.759
   58    H    SER   9           H        SER   9   3.690  -2.179  -9.296
   59    HA   SER   9           HA       SER   9   4.357   0.136 -11.021
   60   1HB   SER   9          1HB       SER   9   1.965   0.600 -10.950
   61   2HB   SER   9          2HB       SER   9   2.279  -1.073 -11.442
   62    HG   SER   9           HG       SER   9   1.775  -1.681  -9.239
   63    H    CYS  10           H        CYS  10   3.335  -0.563  -7.727
   64    HA   CYS  10           HA       CYS  10   2.711   1.887  -6.615
   65   1HB   CYS  10          1HB       CYS  10   2.491  -0.597  -5.925
   66   2HB   CYS  10          2HB       CYS  10   4.084  -0.347  -5.132
   67    H    ILE  11           H        ILE  11   5.784   0.206  -7.118
   68    HA   ILE  11           HA       ILE  11   7.563   1.529  -5.616
   69    HB   ILE  11           HB       ILE  11   7.799   0.638  -8.499
   70   1HG1  ILE  11          1HG1      ILE  11   9.027  -0.418  -5.904
   71   2HG1  ILE  11          2HG1      ILE  11   7.576  -1.063  -6.662
   72   1HG2  ILE  11          3HG2      ILE  11  10.091   1.703  -6.796
   73   2HG2  ILE  11          2HG2      ILE  11  10.277   0.869  -8.351
   74   3HG2  ILE  11          1HG2      ILE  11   9.484   2.422  -8.305
   75   1HD1  ILE  11          2HD1      ILE  11   9.030  -1.524  -8.735
   76   2HD1  ILE  11          3HD1      ILE  11  10.425  -1.233  -7.670
   77   3HD1  ILE  11          1HD1      ILE  11   9.293  -2.536  -7.296
   78    H    GLY  12           H        GLY  12   5.951   2.816  -8.520
   79   1HA   GLY  12          2HA       GLY  12   7.380   5.076  -9.165
   80   2HA   GLY  12          1HA       GLY  12   5.614   4.957  -9.204
   81    H    CYS  13           H        CYS  13   5.303   4.635  -6.263
   82    HA   CYS  13           HA       CYS  13   5.963   7.449  -5.418
   83   1HB   CYS  13          1HB       CYS  13   3.541   6.750  -5.926
   84   2HB   CYS  13          2HB       CYS  13   3.667   5.818  -4.405
   85    H    HIS  14           HN       HIS  14   5.845   3.997  -4.495
   86    HA   HIS  14           HA       HIS  14   6.685   4.573  -1.745
   87   1HB   HIS  14          1HB       HIS  14   5.635   2.222  -3.313
   88   2HB   HIS  14          2HB       HIS  14   6.495   2.002  -1.819
   89    HD1  HIS  14           HD1      HIS  14   5.458   3.544   0.302
   90    HD2  HIS  14           HD2      HIS  14   3.098   3.298  -3.105
   91    HE1  HIS  14           HE1      HIS  14   3.135   4.177   1.001
   92    H    GLY  15           H        GLY  15   8.294   3.771  -4.632
   93   1HA   GLY  15          2HA       GLY  15  10.610   3.625  -4.954
   94   2HA   GLY  15          1HA       GLY  15  10.827   3.855  -3.202
   95    H    ALA  16           H        ALA  16  12.547   2.161  -3.662
   96    HA   ALA  16           HA       ALA  16  11.641  -0.566  -4.177
   97   1HB   ALA  16          2HB       ALA  16  14.349   0.559  -3.346
   98   2HB   ALA  16          1HB       ALA  16  14.013  -1.142  -3.743
   99   3HB   ALA  16          3HB       ALA  16  13.812   0.117  -4.975
  100    H    ASP  17           HN       ASP  17  13.662   0.444  -1.411
  101    HA   ASP  17           HA       ASP  17  12.397  -1.540   0.328
  102   1HB   ASP  17          1HB       ASP  17  14.206  -1.065   1.806
  103   2HB   ASP  17          2HB       ASP  17  14.842  -1.395   0.190
  104    H    GLY  18           H        GLY  18  10.569   0.110  -0.237
  105   1HA   GLY  18          1HA       GLY  18   8.933   1.568   0.436
  106   2HA   GLY  18          2HA       GLY  18   9.217   0.762   1.968
  107    H    SER  19           H        SER  19  11.926   2.661   1.384
  108    HA   SER  19           HA       SER  19  11.225   4.592   3.412
  109   1HB   SER  19          2HB       SER  19  13.758   4.226   1.771
  110   2HB   SER  19          1HB       SER  19  13.579   5.194   3.244
  111    HG   SER  19           HG       SER  19  13.142   2.373   3.039
  112    H    LYS  20           HN       LYS  20   9.528   5.040   1.368
  113    HA   LYS  20           HA       LYS  20  10.439   6.962  -0.555
  114   1HB   LYS  20          2HB       LYS  20   8.002   7.065  -1.071
  115   2HB   LYS  20          1HB       LYS  20   8.675   5.453  -1.009
  116   1HG   LYS  20          2HG       LYS  20   7.283   4.812   0.690
  117   2HG   LYS  20          1HG       LYS  20   7.682   6.241   1.642
  118   1HD   LYS  20          1HD       LYS  20   6.153   7.589   0.147
  119   2HD   LYS  20          2HD       LYS  20   5.561   6.076  -0.531
  120   1HE   LYS  20          2HE       LYS  20   4.027   6.643   1.212
  121   2HE   LYS  20          1HE       LYS  20   5.059   5.399   1.943
  122   1HZ   LYS  20          1HZ       LYS  20   6.356   7.216   2.900
  123   2HZ   LYS  20          3HZ       LYS  20   5.285   8.302   2.297
  124   3HZ   LYS  20          2HZ       LYS  20   4.795   7.182   3.409
  125    H    ALA  21           H        ALA  21   9.316   8.862  -1.016
  126    HA   ALA  21           HA       ALA  21   8.142  10.565   1.097
  127   1HB   ALA  21          2HB       ALA  21  10.327  11.381  -0.899
  128   2HB   ALA  21          1HB       ALA  21   9.367  12.500   0.093
  129   3HB   ALA  21          3HB       ALA  21  10.478  11.352   0.871
  130    H    ALA  22           H        ALA  22   6.241   9.769   0.166
  131    HA   ALA  22           HA       ALA  22   5.731   9.486  -2.643
  132   1HB   ALA  22          2HB       ALA  22   4.123   9.344  -0.070
  133   2HB   ALA  22          1HB       ALA  22   3.282   9.362  -1.609
  134   3HB   ALA  22          3HB       ALA  22   4.445   8.081  -1.275
  135    H    MET  23           H        MET  23   3.357  10.665  -3.411
  136    HA   MET  23           HA       MET  23   4.099  13.420  -3.719
  137   1HB   MET  23          1HB       MET  23   1.351  12.195  -4.091
  138   2HB   MET  23          2HB       MET  23   1.933  13.731  -4.725
  139   1HG   MET  23          2HG       MET  23   3.658  12.581  -6.053
  140   2HG   MET  23          1HG       MET  23   3.112  11.012  -5.445
  141   1HE   MET  23          3HE       MET  23   2.961  10.054  -7.846
  142   2HE   MET  23          2HE       MET  23   2.075  10.841  -9.172
  143   3HE   MET  23          1HE       MET  23   3.528  11.614  -8.497
  144    H    GLY  24           H        GLY  24   4.582  14.023  -1.590
  145   1HA   GLY  24          1HA       GLY  24   3.891  15.766  -0.035
  146   2HA   GLY  24          2HA       GLY  24   2.304  14.990   0.110
  147    H    SER  25           H        SER  25   4.464  15.487   2.178
  148    HA   SER  25           HA       SER  25   5.936  13.235   2.871
  149   1HB   SER  25          2HB       SER  25   6.049  15.482   3.967
  150   2HB   SER  25          1HB       SER  25   4.540  15.112   4.830
  151    HG   SER  25           HG       SER  25   5.622  13.472   5.907
  152    H    ALA  26           H        ALA  26   5.553  11.285   3.977
  153    HA   ALA  26           HA       ALA  26   2.948  10.657   5.161
  154   1HB   ALA  26          1HB       ALA  26   3.839   9.684   2.422
  155   2HB   ALA  26          3HB       ALA  26   2.782   8.704   3.446
  156   3HB   ALA  26          2HB       ALA  26   2.270  10.330   2.920
  157    H    LYS  27           HN       LYS  27   2.985   8.427   6.148
  158    HA   LYS  27           HA       LYS  27   5.309   7.773   7.503
  159   1HB   LYS  27          2HB       LYS  27   2.699   6.406   6.747
  160   2HB   LYS  27          1HB       LYS  27   3.885   5.695   7.789
  161   1HG   LYS  27          1HG       LYS  27   3.672   7.387   9.446
  162   2HG   LYS  27          2HG       LYS  27   2.657   8.394   8.385
  163   1HD   LYS  27          1HD       LYS  27   1.060   6.304   8.324
  164   2HD   LYS  27          2HD       LYS  27   1.986   5.731   9.711
  165   1HE   LYS  27          1HE       LYS  27   0.028   6.856  10.532
  166   2HE   LYS  27          2HE       LYS  27   1.382   7.957  10.851
  167   1HZ   LYS  27          3HZ       LYS  27  -0.457   8.094   8.547
  168   2HZ   LYS  27          2HZ       LYS  27  -0.534   9.054   9.886
  169   3HZ   LYS  27          1HZ       LYS  27   0.754   9.155   8.863
  170    HA   PRO  28           HA       PRO  28   7.090   5.602   3.914
  171   1HB   PRO  28          1HB       PRO  28   9.073   4.686   6.013
  172   2HB   PRO  28          2HB       PRO  28   9.393   5.316   4.368
  173   1HG   PRO  28          2HG       PRO  28   9.784   6.918   6.526
  174   2HG   PRO  28          1HG       PRO  28   8.984   7.560   5.059
  175   1HD   PRO  28          1HD       PRO  28   7.661   6.566   7.602
  176   2HD   PRO  28          2HD       PRO  28   7.361   8.067   6.673
  177    H    VAL  29           H        VAL  29   7.165   3.389   3.271
  178    HA   VAL  29           HA       VAL  29   5.305   1.740   4.865
  179    HB   VAL  29           HB       VAL  29   6.464   1.660   2.069
  180   1HG1  VAL  29          2HG1      VAL  29   4.990  -0.639   3.403
  181   2HG1  VAL  29          3HG1      VAL  29   5.280  -0.452   1.656
  182   3HG1  VAL  29          1HG1      VAL  29   6.646  -0.685   2.748
  183   1HG2  VAL  29          1HG2      VAL  29   4.396   2.965   2.597
  184   2HG2  VAL  29          3HG2      VAL  29   4.033   1.585   1.524
  185   3HG2  VAL  29          2HG2      VAL  29   3.636   1.501   3.244
  186    H    LYS  30           HN       LYS  30   8.693   1.831   3.992
  187    HA   LYS  30           HA       LYS  30   9.953  -0.346   4.391
  188   1HB   LYS  30          2HB       LYS  30  10.780   2.075   4.591
  189   2HB   LYS  30          1HB       LYS  30  10.704   1.856   6.339
  190   1HG   LYS  30          1HG       LYS  30  12.291   0.253   4.299
  191   2HG   LYS  30          2HG       LYS  30  12.952   1.426   5.450
  192   1HD   LYS  30          1HD       LYS  30  12.177  -0.165   7.308
  193   2HD   LYS  30          2HD       LYS  30  11.776  -1.329   6.020
  194   1HE   LYS  30          2HE       LYS  30  14.539  -0.220   6.619
  195   2HE   LYS  30          1HE       LYS  30  13.950  -1.877   6.852
  196   1HZ   LYS  30          1HZ       LYS  30  13.547  -1.898   4.415
  197   2HZ   LYS  30          3HZ       LYS  30  14.358  -0.480   4.310
  198   3HZ   LYS  30          2HZ       LYS  30  15.144  -1.822   4.855
  199    H    GLY  31           H        GLY  31   9.177  -2.093   5.356
  200   1HA   GLY  31          2HA       GLY  31   8.198  -3.511   6.836
  201   2HA   GLY  31          1HA       GLY  31   9.606  -3.015   7.770
  202    H    GLN  32           H        GLN  32   6.555  -1.143   7.132
  203    HA   GLN  32           HA       GLN  32   6.284  -0.293   9.781
  204   1HB   GLN  32          1HB       GLN  32   3.673  -0.998   8.444
  205   2HB   GLN  32          2HB       GLN  32   4.088   0.326   9.521
  206   1HG   GLN  32          2HG       GLN  32   5.599   1.140   7.592
  207   2HG   GLN  32          1HG       GLN  32   4.688  -0.042   6.619
  208   1HE2  GLN  32          1HE2      GLN  32   2.991   3.466   6.664
  209   2HE2  GLN  32          2HE2      GLN  32   4.717   3.174   6.816
  210    H    GLY  33           H        GLY  33   4.563  -2.884   8.438
  211   1HA   GLY  33          2HA       GLY  33   5.258  -5.090   9.995
  212   2HA   GLY  33          1HA       GLY  33   3.925  -4.330  10.893
  213    H    ALA  34           H        ALA  34   4.098  -6.951   9.254
  214    HA   ALA  34           HA       ALA  34   2.506  -6.684   6.959
  215   1HB   ALA  34          3HB       ALA  34   3.722  -8.743   7.514
  216   2HB   ALA  34          1HB       ALA  34   2.595  -9.061   8.855
  217   3HB   ALA  34          2HB       ALA  34   2.012  -9.060   7.176
  218    H    GLU  35           HN       GLU  35   1.395  -7.195  10.340
  219    HA   GLU  35           HA       GLU  35  -1.376  -7.338   9.619
  220   1HB   GLU  35          2HB       GLU  35  -0.471  -8.116  11.799
  221   2HB   GLU  35          1HB       GLU  35  -0.178  -6.431  12.278
  222   1HG   GLU  35          1HG       GLU  35  -2.600  -5.944  12.079
  223   2HG   GLU  35          2HG       GLU  35  -2.887  -7.586  11.473
  224    H    GLU  36           HN       GLU  36   0.680  -4.666  10.774
  225    HA   GLU  36           HA       GLU  36  -1.085  -2.512  10.814
  226   1HB   GLU  36          1HB       GLU  36   1.852  -2.741   9.953
  227   2HB   GLU  36          2HB       GLU  36   1.066  -1.207  10.158
  228   1HG   GLU  36          2HG       GLU  36   1.392  -3.332  12.340
  229   2HG   GLU  36          1HG       GLU  36   2.411  -1.911  12.103
  230    H    LEU  37           H        LEU  37   0.975  -3.600   8.122
  231    HA   LEU  37           HA       LEU  37  -0.121  -1.797   6.218
  232   1HB   LEU  37          1HB       LEU  37   1.433  -4.386   5.945
  233   2HB   LEU  37          2HB       LEU  37   0.958  -3.406   4.556
  234    HG   LEU  37           HG       LEU  37   2.551  -2.211   6.883
  235   1HD1  LEU  37          1HD2      LEU  37   3.585  -3.451   4.324
  236   2HD1  LEU  37          3HD2      LEU  37   4.555  -2.491   5.462
  237   3HD1  LEU  37          2HD2      LEU  37   3.863  -4.039   5.970
  238   1HD2  LEU  37          1HD1      LEU  37   1.925  -1.333   4.054
  239   2HD2  LEU  37          3HD1      LEU  37   1.503  -0.514   5.563
  240   3HD2  LEU  37          2HD1      LEU  37   3.184  -0.581   5.039
  241    H    TYR  38           HN       TYR  38  -0.897  -5.302   6.691
  242    HA   TYR  38           HA       TYR  38  -2.811  -5.694   4.792
  243   1HB   TYR  38          1HB       TYR  38  -2.064  -7.315   6.492
  244   2HB   TYR  38          2HB       TYR  38  -3.070  -6.587   7.676
  245    HD1  TYR  38           HD1      TYR  38  -3.583  -7.642   4.060
  246    HD2  TYR  38           HE2      TYR  38  -5.071  -7.721   8.114
  247    HE1  TYR  38           HD2      TYR  38  -5.728  -8.563   3.263
  248    HE2  TYR  38           HE1      TYR  38  -7.153  -8.788   7.319
  249    HH   TYR  38           HH       TYR  38  -8.353  -9.520   5.487
  250    H    LYS  39           HN       LYS  39  -3.418  -4.625   8.029
  251    HA   LYS  39           HA       LYS  39  -6.157  -3.935   7.844
  252   1HB   LYS  39          1HB       LYS  39  -3.950  -2.674   9.531
  253   2HB   LYS  39          2HB       LYS  39  -5.653  -2.288   9.737
  254   1HG   LYS  39          2HG       LYS  39  -4.483  -5.096  10.008
  255   2HG   LYS  39          1HG       LYS  39  -4.744  -3.973  11.348
  256   1HD   LYS  39          2HD       LYS  39  -7.204  -3.899  10.698
  257   2HD   LYS  39          1HD       LYS  39  -6.885  -5.228   9.569
  258   1HE   LYS  39          2HE       LYS  39  -6.437  -5.277  12.592
  259   2HE   LYS  39          1HE       LYS  39  -7.759  -6.065  11.718
  260   1HZ   LYS  39          3HZ       LYS  39  -6.133  -7.419  10.604
  261   2HZ   LYS  39          1HZ       LYS  39  -4.906  -6.688  11.427
  262   3HZ   LYS  39          2HZ       LYS  39  -6.015  -7.589  12.240
  263    H    LYS  40           HN       LYS  40  -3.328  -1.720   7.158
  264    HA   LYS  40           HA       LYS  40  -4.988   0.470   6.424
  265   1HB   LYS  40          1HB       LYS  40  -2.111  -0.357   5.859
  266   2HB   LYS  40          2HB       LYS  40  -2.808   1.182   5.422
  267   1HG   LYS  40          2HG       LYS  40  -2.816   0.169   8.298
  268   2HG   LYS  40          1HG       LYS  40  -1.445   1.034   7.602
  269   1HD   LYS  40          2HD       LYS  40  -2.882   2.986   7.162
  270   2HD   LYS  40          1HD       LYS  40  -4.298   2.124   7.780
  271   1HE   LYS  40          1HE       LYS  40  -3.474   3.602   9.510
  272   2HE   LYS  40          2HE       LYS  40  -3.196   1.927  10.011
  273   1HZ   LYS  40          2HZ       LYS  40  -1.196   3.725   8.822
  274   2HZ   LYS  40          3HZ       LYS  40  -1.309   3.333  10.419
  275   3HZ   LYS  40          1HZ       LYS  40  -0.917   2.177   9.314
  276    H    MET  41           H        MET  41  -3.449  -2.176   4.231
  277    HA   MET  41           HA       MET  41  -4.380  -1.049   1.898
  278   1HB   MET  41          1HB       MET  41  -4.802  -3.949   1.885
  279   2HB   MET  41          2HB       MET  41  -3.801  -2.891   0.944
  280   1HG   MET  41          2HG       MET  41  -2.988  -4.081   3.538
  281   2HG   MET  41          1HG       MET  41  -2.594  -4.763   1.966
  282   1HE   MET  41          1HE       MET  41  -1.654  -3.471   0.104
  283   2HE   MET  41          2HE       MET  41  -1.931  -1.756   0.497
  284   3HE   MET  41          3HE       MET  41  -0.277  -2.367   0.284
  285    H    LYS  42           HN       LYS  42  -6.072  -3.246   4.191
  286    HA   LYS  42           HA       LYS  42  -8.515  -3.401   2.750
  287   1HB   LYS  42          2HB       LYS  42  -7.774  -4.807   4.740
  288   2HB   LYS  42          1HB       LYS  42  -8.186  -3.430   5.770
  289   1HG   LYS  42          2HG       LYS  42 -10.551  -3.546   4.699
  290   2HG   LYS  42          1HG       LYS  42 -10.011  -5.038   3.936
  291   1HD   LYS  42          2HD       LYS  42 -11.195  -5.709   5.886
  292   2HD   LYS  42          1HD       LYS  42  -9.482  -5.957   6.239
  293   1HE   LYS  42          2HE       LYS  42 -10.601  -4.978   8.174
  294   2HE   LYS  42          1HE       LYS  42  -9.471  -3.786   7.530
  295   1HZ   LYS  42          3HZ       LYS  42 -12.370  -3.859   7.050
  296   2HZ   LYS  42          2HZ       LYS  42 -11.577  -2.825   8.057
  297   3HZ   LYS  42          1HZ       LYS  42 -11.346  -2.730   6.431
  298    H    GLY  43           H        GLY  43  -7.413  -1.172   5.315
  299   1HA   GLY  43          2HA       GLY  43  -9.586   0.450   5.714
  300   2HA   GLY  43          1HA       GLY  43  -7.894   0.988   5.810
  301    H    TYR  44           H        TYR  44  -6.992   0.853   3.282
  302    HA   TYR  44           HA       TYR  44  -8.091   3.196   2.018
  303   1HB   TYR  44          1HB       TYR  44  -6.098   1.070   1.138
  304   2HB   TYR  44          2HB       TYR  44  -6.601   2.388   0.086
  305    HD1  TYR  44           HD1      TYR  44  -6.452   4.828   1.158
  306    HD2  TYR  44           HD2      TYR  44  -4.001   1.436   2.194
  307    HE1  TYR  44           HE1      TYR  44  -4.657   6.349   1.948
  308    HE2  TYR  44           HE2      TYR  44  -2.198   2.992   2.914
  309    HH   TYR  44           HH       TYR  44  -1.456   5.179   2.832
  310    H    ALA  45           H        ALA  45  -8.000  -0.242   0.936
  311    HA   ALA  45           HA       ALA  45  -9.511  -0.045  -1.351
  312   1HB   ALA  45          3HB       ALA  45  -8.285  -2.055  -0.654
  313   2HB   ALA  45          1HB       ALA  45  -9.474  -2.351   0.633
  314   3HB   ALA  45          2HB       ALA  45  -9.964  -2.445  -1.071
  315    H    ASP  46           HN       ASP  46 -10.851  -0.618   1.943
  316    HA   ASP  46           HA       ASP  46 -13.577  -0.706   0.893
  317   1HB   ASP  46          1HB       ASP  46 -14.287  -1.077   3.150
  318   2HB   ASP  46          2HB       ASP  46 -12.941  -2.142   2.736
  319    H    GLY  47           H        GLY  47 -11.582   1.915   1.253
  320   1HA   GLY  47          1HA       GLY  47 -12.024   4.120   1.100
  321   2HA   GLY  47          2HA       GLY  47 -13.750   3.753   0.991
  322    H    SER  48           H        SER  48 -11.415   3.090   3.668
  323    HA   SER  48           HA       SER  48 -13.005   4.957   5.425
  324   1HB   SER  48          1HB       SER  48 -12.348   3.562   7.307
  325   2HB   SER  48          2HB       SER  48 -13.308   2.643   6.131
  326    HG   SER  48           HG       SER  48 -11.418   1.709   5.365
  327    H    TYR  49           H        TYR  49  -9.806   3.412   5.139
  328    HA   TYR  49           HA       TYR  49  -8.485   5.656   6.442
  329   1HB   TYR  49          2HB       TYR  49  -7.727   3.156   6.555
  330   2HB   TYR  49          1HB       TYR  49  -7.138   3.392   4.921
  331    HD1  TYR  49           HD1      TYR  49  -7.027   4.976   8.330
  332    HD2  TYR  49           HD2      TYR  49  -4.901   4.115   4.689
  333    HE1  TYR  49           HE1      TYR  49  -5.074   6.196   9.192
  334    HE2  TYR  49           HE2      TYR  49  -2.925   5.303   5.552
  335    HH   TYR  49           HH       TYR  49  -1.969   6.401   7.409
  336    H    GLY  50           H        GLY  50  -9.706   7.040   4.574
  337   1HA   GLY  50          2HA       GLY  50  -7.682   8.175   2.973
  338   2HA   GLY  50          1HA       GLY  50  -8.588   7.053   1.943
  339    H    GLY  51           H        GLY  51  -8.825   9.366   0.922
  340   1HA   GLY  51          2HA       GLY  51 -11.366  10.278   0.862
  341   2HA   GLY  51          1HA       GLY  51 -10.702  11.207   2.216
  342    H    GLU  52           HN       GLU  52  -8.234  11.910   1.550
  343    HA   GLU  52           HA       GLU  52  -8.650  13.808  -0.654
  344   1HB   GLU  52          1HB       GLU  52  -7.744  14.217   1.753
  345   2HB   GLU  52          2HB       GLU  52  -6.186  13.703   1.132
  346   1HG   GLU  52          2HG       GLU  52  -7.958  15.961   0.017
  347   2HG   GLU  52          1HG       GLU  52  -6.647  16.192   1.174
  348    H    ARG  53           HN       ARG  53  -5.329  13.466  -0.763
  349    HA   ARG  53           HA       ARG  53  -5.096  12.410  -3.252
  350   1HB   ARG  53          1HB       ARG  53  -2.768  12.071  -2.651
  351   2HB   ARG  53          2HB       ARG  53  -3.364  13.579  -1.980
  352   1HG   ARG  53          1HG       ARG  53  -3.664  12.339   0.257
  353   2HG   ARG  53          2HG       ARG  53  -2.814  10.962  -0.468
  354   1HD   ARG  53          2HD       ARG  53  -0.842  12.241  -0.836
  355   2HD   ARG  53          1HD       ARG  53  -1.636  13.769  -0.413
  356    HE   ARG  53           HE       ARG  53  -2.026  12.471   1.873
  357   1HH1  ARG  53          2HH1      ARG  53   0.938  12.834  -0.075
  358   2HH1  ARG  53          1HH1      ARG  53   1.990  12.527   1.275
  359   1HH2  ARG  53          2HH2      ARG  53  -0.607  12.382   3.672
  360   2HH2  ARG  53          1HH2      ARG  53   1.118  12.533   3.430
  361    H    LYS  54           HN       LYS  54  -5.302  10.739  -0.229
  362    HA   LYS  54           HA       LYS  54  -4.561   8.133  -0.739
  363   1HB   LYS  54          1HB       LYS  54  -6.770   9.319   0.994
  364   2HB   LYS  54          2HB       LYS  54  -6.236   7.634   1.099
  365   1HG   LYS  54          2HG       LYS  54  -3.907   8.460   1.535
  366   2HG   LYS  54          1HG       LYS  54  -4.493  10.120   1.547
  367   1HD   LYS  54          2HD       LYS  54  -5.902   9.737   3.462
  368   2HD   LYS  54          1HD       LYS  54  -5.557   7.996   3.464
  369   1HE   LYS  54          1HE       LYS  54  -3.272   9.963   3.748
  370   2HE   LYS  54          2HE       LYS  54  -4.304   9.570   5.134
  371   1HZ   LYS  54          3HZ       LYS  54  -2.891   7.552   3.543
  372   2HZ   LYS  54          2HZ       LYS  54  -2.416   8.130   5.017
  373   3HZ   LYS  54          1HZ       LYS  54  -3.827   7.299   4.864
  374    H    ALA  55           H        ALA  55  -7.394   9.800  -1.910
  375    HA   ALA  55           HA       ALA  55  -9.096   7.640  -2.554
  376   1HB   ALA  55          1HB       ALA  55  -9.773   9.993  -2.678
  377   2HB   ALA  55          3HB       ALA  55  -8.669  10.256  -4.047
  378   3HB   ALA  55          2HB       ALA  55 -10.060   9.165  -4.221
  379    H    MET  56           H        MET  56  -6.267   8.979  -4.363
  380    HA   MET  56           HA       MET  56  -6.743   7.462  -6.776
  381   1HB   MET  56          1HB       MET  56  -5.370   9.453  -6.757
  382   2HB   MET  56          2HB       MET  56  -4.221   8.747  -5.614
  383   1HG   MET  56          2HG       MET  56  -4.763   7.475  -8.315
  384   2HG   MET  56          1HG       MET  56  -3.614   8.801  -8.118
  385   1HE   MET  56          1HE       MET  56  -1.955   7.111  -9.412
  386   2HE   MET  56          2HE       MET  56  -1.446   5.550  -8.725
  387   3HE   MET  56          3HE       MET  56  -3.116   5.762  -9.299
  388    H    MET  57           H        MET  57  -4.528   7.051  -4.052
  389    HA   MET  57           HA       MET  57  -3.455   4.524  -4.635
  390   1HB   MET  57          2HB       MET  57  -2.532   6.001  -2.998
  391   2HB   MET  57          1HB       MET  57  -4.035   5.992  -2.050
  392   1HG   MET  57          2HG       MET  57  -3.685   3.704  -1.372
  393   2HG   MET  57          1HG       MET  57  -2.341   3.514  -2.506
  394   1HE   MET  57          3HE       MET  57  -3.210   6.494  -0.054
  395   2HE   MET  57          1HE       MET  57  -1.651   6.758   0.715
  396   3HE   MET  57          2HE       MET  57  -1.825   7.065  -1.021
  397    H    THR  58           H        THR  58  -6.392   5.424  -2.803
  398    HA   THR  58           HA       THR  58  -7.285   2.864  -2.053
  399    HB   THR  58           HB       THR  58  -8.851   5.376  -2.706
  400    HG1  THR  58           HG1      THR  58  -7.491   5.472  -0.931
  401   1HG2  THR  58          1HG2      THR  58  -9.799   2.678  -1.758
  402   2HG2  THR  58          2HG2      THR  58 -10.639   4.180  -1.303
  403   3HG2  THR  58          3HG2      THR  58 -10.480   3.724  -3.008
  404    H    ASN  59           H        ASN  59  -8.093   4.756  -5.063
  405    HA   ASN  59           HA       ASN  59  -9.620   2.686  -6.222
  406   1HB   ASN  59          2HB       ASN  59  -9.384   5.079  -7.022
  407   2HB   ASN  59          1HB       ASN  59  -7.861   4.611  -7.784
  408   1HD2  ASN  59          1HD2      ASN  59 -10.261   2.255  -9.812
  409   2HD2  ASN  59          2HD2      ASN  59  -9.317   1.746  -8.426
  410    H    ALA  60           H        ALA  60  -6.059   3.265  -6.295
  411    HA   ALA  60           HA       ALA  60  -5.473   1.210  -8.186
  412   1HB   ALA  60          3HB       ALA  60  -3.851   2.959  -7.535
  413   2HB   ALA  60          1HB       ALA  60  -3.683   2.223  -5.930
  414   3HB   ALA  60          2HB       ALA  60  -3.182   1.325  -7.368
  415    H    VAL  61           H        VAL  61  -5.163   1.063  -4.586
  416    HA   VAL  61           HA       VAL  61  -4.654  -1.739  -4.596
  417    HB   VAL  61           HB       VAL  61  -4.007  -0.160  -2.812
  418   1HG1  VAL  61          3HG1      VAL  61  -6.178   1.048  -2.612
  419   2HG1  VAL  61          1HG1      VAL  61  -6.893  -0.372  -1.843
  420   3HG1  VAL  61          2HG1      VAL  61  -5.539   0.480  -1.069
  421   1HG2  VAL  61          2HG2      VAL  61  -3.996  -2.625  -2.449
  422   2HG2  VAL  61          3HG2      VAL  61  -4.308  -1.699  -0.967
  423   3HG2  VAL  61          1HG2      VAL  61  -5.649  -2.505  -1.797
  424    H    LYS  62           HN       LYS  62  -7.733   0.059  -4.512
  425    HA   LYS  62           HA       LYS  62  -9.380  -2.080  -3.686
  426   1HB   LYS  62          2HB       LYS  62 -10.034   0.278  -3.740
  427   2HB   LYS  62          1HB       LYS  62 -10.058   0.260  -5.518
  428   1HG   LYS  62          1HG       LYS  62 -11.928  -1.324  -5.485
  429   2HG   LYS  62          2HG       LYS  62 -11.729  -1.548  -3.735
  430   1HD   LYS  62          1HD       LYS  62 -12.213   0.947  -3.449
  431   2HD   LYS  62          2HD       LYS  62 -12.590   1.006  -5.178
  432   1HE   LYS  62          1HE       LYS  62 -14.638   0.814  -3.875
  433   2HE   LYS  62          2HE       LYS  62 -14.412  -0.687  -4.792
  434   1HZ   LYS  62          1HZ       LYS  62 -13.610  -0.317  -1.983
  435   2HZ   LYS  62          3HZ       LYS  62 -15.047  -0.987  -2.456
  436   3HZ   LYS  62          2HZ       LYS  62 -13.624  -1.727  -2.829
  437    H    LYS  63           HN       LYS  63  -7.724  -1.564  -6.797
  438    HA   LYS  63           HA       LYS  63  -9.515  -3.345  -8.220
  439   1HB   LYS  63          1HB       LYS  63  -7.350  -1.469  -8.822
  440   2HB   LYS  63          2HB       LYS  63  -7.108  -3.002  -9.620
  441   1HG   LYS  63          1HG       LYS  63  -8.412  -1.459 -11.007
  442   2HG   LYS  63          2HG       LYS  63  -9.397  -2.870 -10.581
  443   1HD   LYS  63          1HD       LYS  63 -10.597  -1.555  -8.850
  444   2HD   LYS  63          2HD       LYS  63  -9.447  -0.241  -9.032
  445   1HE   LYS  63          2HE       LYS  63 -11.577   0.273 -10.162
  446   2HE   LYS  63          1HE       LYS  63 -10.256   0.179 -11.341
  447   1HZ   LYS  63          1HZ       LYS  63 -12.189  -1.957 -10.757
  448   2HZ   LYS  63          2HZ       LYS  63 -12.218  -0.964 -12.072
  449   3HZ   LYS  63          3HZ       LYS  63 -10.979  -2.031 -11.875
  450    H    ALA  64           H        ALA  64  -7.231  -3.903  -5.821
  451    HA   ALA  64           HA       ALA  64  -6.000  -6.376  -6.866
  452   1HB   ALA  64          3HB       ALA  64  -4.945  -4.653  -5.291
  453   2HB   ALA  64          2HB       ALA  64  -6.066  -5.268  -4.051
  454   3HB   ALA  64          1HB       ALA  64  -4.870  -6.334  -4.780
  455    H    SER  65           H        SER  65  -6.121  -8.034  -4.792
  456    HA   SER  65           HA       SER  65  -8.912  -8.490  -3.960
  457   1HB   SER  65          2HB       SER  65  -7.394 -10.575  -5.596
  458   2HB   SER  65          1HB       SER  65  -8.991 -10.775  -4.851
  459    HG   SER  65           HG       SER  65  -9.135  -8.561  -6.265
  460    H    ASP  66           HN       ASP  66  -9.017 -10.233  -2.315
  461    HA   ASP  66           HA       ASP  66  -7.535  -9.737  -0.165
  462   1HB   ASP  66          2HB       ASP  66  -8.349 -11.655   0.874
  463   2HB   ASP  66          1HB       ASP  66  -9.576 -11.219  -0.313
  464    H    GLU  67           HN       GLU  67  -6.629 -12.461  -2.320
  465    HA   GLU  67           HA       GLU  67  -4.314 -13.338  -1.047
  466   1HB   GLU  67          2HB       GLU  67  -5.360 -14.369  -3.104
  467   2HB   GLU  67          1HB       GLU  67  -4.752 -13.005  -4.049
  468   1HG   GLU  67          1HG       GLU  67  -2.385 -13.776  -3.042
  469   2HG   GLU  67          2HG       GLU  67  -3.237 -15.302  -2.812
  470    H    GLU  68           HN       GLU  68  -4.713 -10.702  -3.341
  471    HA   GLU  68           HA       GLU  68  -1.904 -10.074  -3.599
  472   1HB   GLU  68          1HB       GLU  68  -4.106  -8.194  -4.214
  473   2HB   GLU  68          2HB       GLU  68  -2.575  -8.395  -5.036
  474   1HG   GLU  68          2HG       GLU  68  -4.934 -10.317  -5.289
  475   2HG   GLU  68          1HG       GLU  68  -4.497  -9.044  -6.424
  476    H    LEU  69           H        LEU  69  -4.703  -8.810  -1.733
  477    HA   LEU  69           HA       LEU  69  -3.363  -6.506  -0.655
  478   1HB   LEU  69          1HB       LEU  69  -5.602  -8.175   0.572
  479   2HB   LEU  69          2HB       LEU  69  -5.082  -6.585   1.129
  480    HG   LEU  69           HG       LEU  69  -6.327  -7.184  -1.590
  481   1HD1  LEU  69          1HD2      LEU  69  -7.897  -7.380   0.325
  482   2HD1  LEU  69          2HD2      LEU  69  -7.435  -5.752   0.861
  483   3HD1  LEU  69          3HD2      LEU  69  -8.268  -5.978  -0.692
  484   1HD2  LEU  69          2HD1      LEU  69  -5.488  -4.548  -0.320
  485   2HD2  LEU  69          1HD1      LEU  69  -4.833  -5.264  -1.811
  486   3HD2  LEU  69          3HD1      LEU  69  -6.510  -4.707  -1.760
  487    H    LYS  70           HN       LYS  70  -3.886  -9.787   0.720
  488    HA   LYS  70           HA       LYS  70  -2.302  -9.390   3.059
  489   1HB   LYS  70          1HB       LYS  70  -2.987 -11.886   1.439
  490   2HB   LYS  70          2HB       LYS  70  -2.148 -11.932   2.999
  491   1HG   LYS  70          2HG       LYS  70  -4.009 -10.853   4.124
  492   2HG   LYS  70          1HG       LYS  70  -4.902 -10.675   2.606
  493   1HD   LYS  70          2HD       LYS  70  -4.071 -13.388   3.728
  494   2HD   LYS  70          1HD       LYS  70  -5.601 -12.589   4.133
  495   1HE   LYS  70          2HE       LYS  70  -6.205 -12.482   1.730
  496   2HE   LYS  70          1HE       LYS  70  -4.723 -13.363   1.314
  497   1HZ   LYS  70          3HZ       LYS  70  -6.878 -14.366   3.034
  498   2HZ   LYS  70          1HZ       LYS  70  -6.653 -14.760   1.452
  499   3HZ   LYS  70          2HZ       LYS  70  -5.529 -15.201   2.580
  500    H    ALA  71           H        ALA  71  -1.464 -10.682  -0.178
  501    HA   ALA  71           HA       ALA  71   1.266 -11.082   0.463
  502   1HB   ALA  71          3HB       ALA  71  -0.166 -10.649  -2.152
  503   2HB   ALA  71          1HB       ALA  71   1.538 -11.193  -2.027
  504   3HB   ALA  71          2HB       ALA  71   0.219 -12.212  -1.404
  505    H    LEU  72           H        LEU  72  -0.403  -8.030  -0.688
  506    HA   LEU  72           HA       LEU  72   2.044  -6.701  -1.263
  507   1HB   LEU  72          1HB       LEU  72  -0.855  -6.047  -0.817
  508   2HB   LEU  72          2HB       LEU  72   0.270  -4.800  -0.372
  509    HG   LEU  72           HG       LEU  72   0.348  -6.123  -3.102
  510   1HD1  LEU  72          3HD2      LEU  72  -1.203  -3.699  -2.127
  511   2HD1  LEU  72          1HD2      LEU  72  -0.870  -4.014  -3.833
  512   3HD1  LEU  72          2HD2      LEU  72  -1.848  -5.160  -2.880
  513   1HD2  LEU  72          2HD1      LEU  72   1.436  -3.456  -2.078
  514   2HD2  LEU  72          1HD1      LEU  72   2.418  -4.877  -2.479
  515   3HD2  LEU  72          3HD1      LEU  72   1.530  -4.036  -3.751
  516    H    ALA  73           H        ALA  73  -0.140  -6.856   1.610
  517    HA   ALA  73           HA       ALA  73   1.416  -5.328   3.348
  518   1HB   ALA  73          1HB       ALA  73  -0.844  -6.160   3.834
  519   2HB   ALA  73          3HB       ALA  73  -0.225  -7.810   4.043
  520   3HB   ALA  73          2HB       ALA  73   0.293  -6.528   5.145
  521    H    ASP  74           HN       ASP  74   1.643  -8.894   2.813
  522    HA   ASP  74           HA       ASP  74   3.824  -9.364   4.521
  523   1HB   ASP  74          1HB       ASP  74   2.498 -11.162   3.526
  524   2HB   ASP  74          2HB       ASP  74   3.092 -10.746   1.910
  525    H    TYR  75           H        TYR  75   3.955  -8.736   0.934
  526    HA   TYR  75           HA       TYR  75   6.751  -8.829   0.733
  527   1HB   TYR  75          2HB       TYR  75   5.034  -8.897  -1.103
  528   2HB   TYR  75          1HB       TYR  75   4.817  -7.160  -0.933
  529    HD1  TYR  75           HD2      TYR  75   7.280  -9.860  -1.715
  530    HD2  TYR  75           HD1      TYR  75   6.367  -5.657  -2.050
  531    HE1  TYR  75           HE2      TYR  75   9.120  -9.587  -3.358
  532    HE2  TYR  75           HE1      TYR  75   8.203  -5.400  -3.692
  533    HH   TYR  75           HH       TYR  75   9.898  -6.436  -4.847
  534    H    MET  76           H        MET  76   4.646  -5.919   1.027
  535    HA   MET  76           HA       MET  76   6.698  -4.023   1.324
  536   1HB   MET  76          1HB       MET  76   3.803  -4.045   2.234
  537   2HB   MET  76          2HB       MET  76   4.883  -2.642   2.207
  538   1HG   MET  76          2HG       MET  76   5.276  -3.392  -0.308
  539   2HG   MET  76          1HG       MET  76   3.771  -4.238  -0.128
  540   1HE   MET  76          3HE       MET  76   1.740  -2.895   1.221
  541   2HE   MET  76          1HE       MET  76   2.742  -1.702   2.083
  542   3HE   MET  76          2HE       MET  76   1.483  -1.137   0.969
  543    H    SER  77           H        SER  77   5.248  -6.166   3.774
  544    HA   SER  77           HA       SER  77   6.625  -4.822   5.953
  545   1HB   SER  77          1HB       SER  77   4.559  -6.171   6.239
  546   2HB   SER  77          2HB       SER  77   5.492  -7.633   5.868
  547    HG   SER  77           HG       SER  77   6.899  -6.916   7.638
  548    H    LYS  78           HN       LYS  78   8.086  -6.266   3.360
  549    HA   LYS  78           HA       LYS  78  10.333  -7.368   4.936
  550   1HB   LYS  78          2HB       LYS  78   8.633  -9.096   3.986
  551   2HB   LYS  78          1HB       LYS  78   9.147  -8.540   2.402
  552   1HG   LYS  78          2HG       LYS  78  11.585  -9.107   3.216
  553   2HG   LYS  78          1HG       LYS  78  10.795  -9.931   4.554
  554   1HD   LYS  78          2HD       LYS  78  11.381 -11.486   2.733
  555   2HD   LYS  78          1HD       LYS  78   9.634 -11.445   3.010
  556   1HE   LYS  78          2HE       LYS  78  10.394 -11.472   0.572
  557   2HE   LYS  78          1HE       LYS  78   9.231 -10.219   0.992
  558   1HZ   LYS  78          3HZ       LYS  78  12.136  -9.836   0.759
  559   2HZ   LYS  78          1HZ       LYS  78  11.002  -9.361  -0.340
  560   3HZ   LYS  78          2HZ       LYS  78  11.050  -8.660   1.150
  561    H    LEU  79           H        LEU  79   9.918  -4.688   3.966
  562    HA   LEU  79           HA       LEU  79  11.912  -4.353   1.904
  563   1HB   LEU  79          1HB       LEU  79   8.921  -3.888   1.872
  564   2HB   LEU  79          2HB       LEU  79   9.903  -2.593   1.344
  565    HG   LEU  79           HG       LEU  79   9.629  -5.374   0.149
  566   1HD1  LEU  79          2HD2      LEU  79   9.111  -2.526  -0.845
  567   2HD1  LEU  79          1HD2      LEU  79   8.924  -3.966  -1.861
  568   3HD1  LEU  79          3HD2      LEU  79   7.886  -3.733  -0.451
  569   1HD2  LEU  79          2HD1      LEU  79  11.638  -3.285  -0.764
  570   2HD2  LEU  79          3HD1      LEU  79  11.998  -4.924  -0.169
  571   3HD2  LEU  79          1HD1      LEU  79  11.151  -4.706  -1.694
  572    HHA  HEC   1           HHA      HEM   1   1.548   5.016   3.572
  573    HHB  HEC   1           HHB      HEM   1  -0.867   0.005   0.364
  574    HHC  HEC   1           HHC      HEM   1   1.017   2.966  -4.978
  575    HHD  HEC   1           HHD      HEM   1   1.292   8.468  -1.641
  576   1HMA  HEC   1          1HMA      HEM   1  -1.525  -0.021   2.758
  577   2HMA  HEC   1          2HMA      HEM   1  -0.543   0.219   4.210
  578   3HMA  HEC   1          3HMA      HEM   1   0.147  -0.640   2.825
  579   1HAA  HEC   1          1HAA      HEM   1   1.772   3.193   4.798
  580   2HAA  HEC   1          2HAA      HEM   1   1.000   1.668   5.152
  581   1HBA  HEC   1          1HBA      HEM   1  -1.064   2.616   5.667
  582   2HBA  HEC   1          2HBA      HEM   1  -0.774   4.073   4.729
  583   1HMB  HEC   1          1HMB      HEM   1  -1.922  -1.015  -1.591
  584   2HMB  HEC   1          2HMB      HEM   1  -0.262  -1.644  -1.833
  585   3HMB  HEC   1          3HMB      HEM   1  -1.346  -1.372  -3.217
  586    HAB  HEC   1           HAB      HEM   1   0.571  -0.802  -4.590
  587   1HBB  HEC   1          1HBB      HEM   1  -0.189   1.746  -6.117
  588   2HBB  HEC   1          2HBB      HEM   1  -0.986   0.188  -6.090
  589   3HBB  HEC   1          3HBB      HEM   1   0.609   0.337  -6.830
  590   1HMC  HEC   1          1HMC      HEM   1   1.920   5.030  -6.435
  591   2HMC  HEC   1          2HMC      HEM   1   0.145   5.065  -6.451
  592   3HMC  HEC   1          3HMC      HEM   1   1.052   6.572  -6.645
  593    HAC  HEC   1           HAC      HEM   1   1.871   8.411  -5.428
  594   1HBC  HEC   1          1HBC      HEM   1   0.003   9.138  -3.555
  595   2HBC  HEC   1          2HBC      HEM   1   0.822  10.131  -4.745
  596   3HBC  HEC   1          3HBC      HEM   1   1.482  10.021  -3.107
  597   1HMD  HEC   1          1HMD      HEM   1   1.633   9.956   0.601
  598   2HMD  HEC   1          2HMD      HEM   1   0.206   9.915   1.665
  599   3HMD  HEC   1          3HMD      HEM   1   0.008   9.672  -0.064
  600   1HAD  HEC   1          1HAD      HEM   1  -0.790   7.717   3.452
  601   2HAD  HEC   1          2HAD      HEM   1   0.535   8.828   3.561
  602   1HBD  HEC   1          1HBD      HEM   1   0.253   6.118   4.865
  603   2HBD  HEC   1          2HBD      HEM   1   1.836   6.901   4.759
   
  No H/Q in entry =         603
  Start of MODEL   26
    1   1H    ALA   1          3H        ALA   1  -1.799 -13.408  -9.365
    2   2H    ALA   1          2H        ALA   1  -2.642 -12.035  -9.160
    3   3H    ALA   1          1H        ALA   1  -2.312 -12.556 -10.719
    4    HA   ALA   1           HA       ALA   1   0.011 -12.205 -10.380
    5   1HB   ALA   1          2HB       ALA   1  -1.312 -10.174 -10.975
    6   2HB   ALA   1          3HB       ALA   1  -1.522  -9.817  -9.250
    7   3HB   ALA   1          1HB       ALA   1   0.096  -9.781  -9.985
    8    H    ASP   2           HN       ASP   2   0.935 -10.303  -8.150
    9    HA   ASP   2           HA       ASP   2   0.417 -11.784  -5.721
   10   1HB   ASP   2          2HB       ASP   2   2.443 -12.789  -5.382
   11   2HB   ASP   2          1HB       ASP   2   2.401 -12.966  -7.136
   12    H    GLY   3           H        GLY   3   1.260 -10.637  -3.915
   13   1HA   GLY   3          2HA       GLY   3   1.085  -8.016  -3.637
   14   2HA   GLY   3          1HA       GLY   3   2.287  -8.949  -2.729
   15    H    ALA   4           H        ALA   4   4.218  -9.568  -4.647
   16    HA   ALA   4           HA       ALA   4   5.692  -7.133  -4.739
   17   1HB   ALA   4          3HB       ALA   4   6.700  -9.430  -4.695
   18   2HB   ALA   4          1HB       ALA   4   6.186  -9.659  -6.377
   19   3HB   ALA   4          2HB       ALA   4   7.353  -8.388  -5.976
   20    H    ALA   5           H        ALA   5   4.086  -8.983  -7.392
   21    HA   ALA   5           HA       ALA   5   4.671  -7.196  -9.485
   22   1HB   ALA   5          3HB       ALA   5   3.729  -9.430  -9.852
   23   2HB   ALA   5          2HB       ALA   5   2.196  -8.922  -9.108
   24   3HB   ALA   5          1HB       ALA   5   2.731  -8.184 -10.629
   25    H    LEU   6           H        LEU   6   1.825  -7.213  -7.230
   26    HA   LEU   6           HA       LEU   6   0.564  -4.900  -8.256
   27   1HB   LEU   6          1HB       LEU   6   0.683  -6.164  -5.487
   28   2HB   LEU   6          2HB       LEU   6  -0.150  -4.641  -5.808
   29    HG   LEU   6           HG       LEU   6  -1.468  -5.734  -7.589
   30   1HD1  LEU   6          2HD2      LEU   6  -0.143  -7.790  -8.017
   31   2HD1  LEU   6          1HD2      LEU   6  -0.578  -8.346  -6.372
   32   3HD1  LEU   6          3HD2      LEU   6  -1.827  -8.118  -7.601
   33   1HD2  LEU   6          2HD1      LEU   6  -2.349  -5.323  -5.286
   34   2HD2  LEU   6          1HD1      LEU   6  -3.025  -6.804  -5.975
   35   3HD2  LEU   6          3HD1      LEU   6  -1.724  -6.903  -4.765
   36    H    TYR   7           H        TYR   7   2.975  -5.195  -5.607
   37    HA   TYR   7           HA       TYR   7   3.138  -2.561  -4.884
   38   1HB   TYR   7          1HB       TYR   7   4.161  -4.470  -3.684
   39   2HB   TYR   7          2HB       TYR   7   5.474  -4.476  -4.863
   40    HD1  TYR   7           HD1      TYR   7   3.699  -2.362  -2.323
   41    HD2  TYR   7           HD2      TYR   7   7.275  -2.862  -4.684
   42    HE1  TYR   7           HE1      TYR   7   4.734  -0.417  -1.182
   43    HE2  TYR   7           HE2      TYR   7   8.332  -0.985  -3.463
   44    HH   TYR   7           HH       TYR   7   7.992   0.765  -2.030
   45    H    LYS   8           HN       LYS   8   4.813  -4.067  -7.648
   46    HA   LYS   8           HA       LYS   8   6.679  -2.128  -8.307
   47   1HB   LYS   8          2HB       LYS   8   4.799  -3.568 -10.216
   48   2HB   LYS   8          1HB       LYS   8   6.236  -2.661 -10.697
   49   1HG   LYS   8          2HG       LYS   8   7.683  -4.141  -9.385
   50   2HG   LYS   8          1HG       LYS   8   6.278  -5.086  -8.858
   51   1HD   LYS   8          1HD       LYS   8   5.727  -5.613 -11.221
   52   2HD   LYS   8          2HD       LYS   8   7.165  -4.734 -11.758
   53   1HE   LYS   8          1HE       LYS   8   7.167  -7.187  -9.924
   54   2HE   LYS   8          2HE       LYS   8   7.524  -7.198 -11.659
   55   1HZ   LYS   8          2HZ       LYS   8   9.378  -5.753 -11.227
   56   2HZ   LYS   8          1HZ       LYS   8   9.062  -5.770  -9.609
   57   3HZ   LYS   8          3HZ       LYS   8   9.510  -7.157 -10.375
   58    H    SER   9           H        SER   9   3.145  -1.932  -8.844
   59    HA   SER   9           HA       SER   9   3.097   0.444 -10.376
   60   1HB   SER   9          2HB       SER   9   0.970  -0.265  -8.329
   61   2HB   SER   9          1HB       SER   9   0.785   0.412  -9.957
   62    HG   SER   9           HG       SER   9   1.310  -2.235  -9.120
   63    H    CYS  10           H        CYS  10   3.308  -0.145  -6.921
   64    HA   CYS  10           HA       CYS  10   2.580   2.522  -6.045
   65   1HB   CYS  10          2HB       CYS  10   3.825   0.365  -4.373
   66   2HB   CYS  10          1HB       CYS  10   2.723   1.601  -3.865
   67    H    ILE  11           H        ILE  11   5.539   0.698  -6.661
   68    HA   ILE  11           HA       ILE  11   7.474   2.087  -5.261
   69    HB   ILE  11           HB       ILE  11   7.575   1.084  -8.128
   70   1HG1  ILE  11          2HG1      ILE  11   8.629  -0.017  -5.483
   71   2HG1  ILE  11          1HG1      ILE  11   7.208  -0.616  -6.348
   72   1HG2  ILE  11          3HG2      ILE  11   9.349   2.792  -7.874
   73   2HG2  ILE  11          2HG2      ILE  11   9.921   1.973  -6.405
   74   3HG2  ILE  11          1HG2      ILE  11  10.033   1.190  -7.993
   75   1HD1  ILE  11          2HD1      ILE  11   8.796  -1.143  -8.301
   76   2HD1  ILE  11          1HD1      ILE  11  10.121  -0.876  -7.144
   77   3HD1  ILE  11          3HD1      ILE  11   8.932  -2.147  -6.840
   78    H    GLY  12           H        GLY  12   5.753   3.177  -8.177
   79   1HA   GLY  12          1HA       GLY  12   7.113   5.426  -8.960
   80   2HA   GLY  12          2HA       GLY  12   5.349   5.280  -8.960
   81    H    CYS  13           H        CYS  13   5.074   5.130  -6.006
   82    HA   CYS  13           HA       CYS  13   5.593   8.026  -5.379
   83   1HB   CYS  13          1HB       CYS  13   3.228   7.241  -5.667
   84   2HB   CYS  13          2HB       CYS  13   3.481   6.219  -4.221
   85    H    HIS  14           HN       HIS  14   5.753   4.670  -4.157
   86    HA   HIS  14           HA       HIS  14   6.675   5.515  -1.518
   87   1HB   HIS  14          1HB       HIS  14   5.865   2.935  -2.928
   88   2HB   HIS  14          2HB       HIS  14   6.620   2.937  -1.355
   89    HD1  HIS  14           HD1      HIS  14   5.504   4.322   0.598
   90    HD2  HIS  14           HD2      HIS  14   3.123   3.633  -2.772
   91    HE1  HIS  14           HE1      HIS  14   3.185   4.952   1.223
   92    H    GLY  15           H        GLY  15   8.165   4.099  -4.407
   93   1HA   GLY  15          1HA       GLY  15  10.430   3.809  -4.818
   94   2HA   GLY  15          2HA       GLY  15  10.834   4.240  -3.150
   95    H    ALA  16           H        ALA  16  12.043   2.066  -4.392
   96    HA   ALA  16           HA       ALA  16  10.850  -0.439  -4.254
   97   1HB   ALA  16          2HB       ALA  16  13.743   0.310  -3.642
   98   2HB   ALA  16          1HB       ALA  16  13.147  -1.324  -4.005
   99   3HB   ALA  16          3HB       ALA  16  13.051  -0.053  -5.239
  100    H    ASP  17           HN       ASP  17  12.803   1.090  -1.638
  101    HA   ASP  17           HA       ASP  17  11.921  -0.924   0.313
  102   1HB   ASP  17          2HB       ASP  17  13.587   0.021   1.711
  103   2HB   ASP  17          1HB       ASP  17  14.224  -0.090   0.058
  104    H    GLY  18           H        GLY  18   9.944   0.810  -0.780
  105   1HA   GLY  18          1HA       GLY  18   8.349   2.427  -0.273
  106   2HA   GLY  18          2HA       GLY  18   8.079   1.256   1.022
  107    H    SER  19           H        SER  19  10.250   4.040   0.268
  108    HA   SER  19           HA       SER  19   9.678   5.220   2.936
  109   1HB   SER  19          2HB       SER  19  12.443   4.528   1.837
  110   2HB   SER  19          1HB       SER  19  12.136   5.588   3.216
  111    HG   SER  19           HG       SER  19  11.463   2.845   3.008
  112    H    LYS  20           HN       LYS  20  10.017   5.891  -0.465
  113    HA   LYS  20           HA       LYS  20  11.428   8.406   0.048
  114   1HB   LYS  20          1HB       LYS  20  11.427   8.862  -2.176
  115   2HB   LYS  20          2HB       LYS  20  11.603   7.107  -2.095
  116   1HG   LYS  20          2HG       LYS  20   9.123   6.942  -2.597
  117   2HG   LYS  20          1HG       LYS  20   9.080   8.690  -2.798
  118   1HD   LYS  20          1HD       LYS  20  10.794   8.556  -4.586
  119   2HD   LYS  20          2HD       LYS  20  10.856   6.789  -4.405
  120   1HE   LYS  20          1HE       LYS  20   8.488   6.614  -5.042
  121   2HE   LYS  20          2HE       LYS  20   8.357   8.381  -5.158
  122   1HZ   LYS  20          3HZ       LYS  20   9.984   8.288  -6.923
  123   2HZ   LYS  20          2HZ       LYS  20  10.026   6.638  -6.828
  124   3HZ   LYS  20          1HZ       LYS  20   8.632   7.407  -7.264
  125    H    ALA  21           H        ALA  21  10.493  10.512  -0.507
  126    HA   ALA  21           HA       ALA  21   8.156  11.013   1.075
  127   1HB   ALA  21          3HB       ALA  21   9.676  12.807  -0.862
  128   2HB   ALA  21          2HB       ALA  21   8.459  13.337   0.318
  129   3HB   ALA  21          1HB       ALA  21   9.985  12.624   0.879
  130    H    ALA  22           H        ALA  22   6.540   9.694   0.143
  131    HA   ALA  22           HA       ALA  22   5.473   9.842  -2.426
  132   1HB   ALA  22          1HB       ALA  22   4.192   9.474   0.315
  133   2HB   ALA  22          3HB       ALA  22   3.222   9.400  -1.144
  134   3HB   ALA  22          2HB       ALA  22   4.542   8.233  -0.917
  135    H    MET  23           H        MET  23   3.213  10.963  -3.054
  136    HA   MET  23           HA       MET  23   3.775  13.732  -3.072
  137   1HB   MET  23          1HB       MET  23   1.018  12.526  -3.419
  138   2HB   MET  23          2HB       MET  23   1.614  14.063  -4.032
  139   1HG   MET  23          2HG       MET  23   3.258  12.904  -5.462
  140   2HG   MET  23          1HG       MET  23   2.685  11.334  -4.880
  141   1HE   MET  23          1HE       MET  23   2.404  10.439  -7.265
  142   2HE   MET  23          3HE       MET  23   1.469  11.252  -8.541
  143   3HE   MET  23          2HE       MET  23   2.977  11.984  -7.945
  144    H    GLY  24           H        GLY  24   3.617  15.233  -1.518
  145   1HA   GLY  24          1HA       GLY  24   3.000  16.367   0.356
  146   2HA   GLY  24          2HA       GLY  24   1.466  15.497   0.341
  147    H    SER  25           H        SER  25   4.487  13.679   0.483
  148    HA   SER  25           HA       SER  25   5.614  12.568   2.043
  149   1HB   SER  25          1HB       SER  25   4.334  14.364   4.146
  150   2HB   SER  25          2HB       SER  25   5.766  13.348   4.347
  151    HG   SER  25           HG       SER  25   5.524  15.438   2.444
  152    H    ALA  26           H        ALA  26   5.434  10.989   3.906
  153    HA   ALA  26           HA       ALA  26   2.833  10.045   4.753
  154   1HB   ALA  26          3HB       ALA  26   4.459   8.555   2.620
  155   2HB   ALA  26          2HB       ALA  26   3.096   7.861   3.498
  156   3HB   ALA  26          1HB       ALA  26   2.836   9.231   2.397
  157    H    LYS  27           HN       LYS  27   3.159   8.171   6.280
  158    HA   LYS  27           HA       LYS  27   5.798   8.043   7.486
  159   1HB   LYS  27          1HB       LYS  27   3.756   5.767   7.616
  160   2HB   LYS  27          2HB       LYS  27   5.091   6.116   8.698
  161   1HG   LYS  27          2HG       LYS  27   3.869   8.363   9.203
  162   2HG   LYS  27          1HG       LYS  27   2.474   7.540   8.480
  163   1HD   LYS  27          2HD       LYS  27   4.093   6.477  10.832
  164   2HD   LYS  27          1HD       LYS  27   2.566   7.350  10.981
  165   1HE   LYS  27          1HE       LYS  27   2.896   4.693   9.501
  166   2HE   LYS  27          2HE       LYS  27   2.290   4.879  11.149
  167   1HZ   LYS  27          1HZ       LYS  27   1.038   6.045   8.760
  168   2HZ   LYS  27          3HZ       LYS  27   0.529   4.710   9.551
  169   3HZ   LYS  27          2HZ       LYS  27   0.483   6.177  10.307
  170    HA   PRO  28           HA       PRO  28   7.325   5.315   4.334
  171   1HB   PRO  28          2HB       PRO  28   9.394   3.941   5.588
  172   2HB   PRO  28          1HB       PRO  28   9.522   5.681   5.195
  173   1HG   PRO  28          1HG       PRO  28   8.689   4.467   7.839
  174   2HG   PRO  28          2HG       PRO  28   9.920   5.733   7.556
  175   1HD   PRO  28          2HD       PRO  28   7.372   6.354   8.287
  176   2HD   PRO  28          1HD       PRO  28   8.240   7.368   7.096
  177    H    VAL  29           H        VAL  29   6.965   3.282   3.649
  178    HA   VAL  29           HA       VAL  29   5.000   1.720   5.200
  179    HB   VAL  29           HB       VAL  29   6.042   1.340   2.349
  180   1HG1  VAL  29          3HG2      VAL  29   3.424   0.564   3.685
  181   2HG1  VAL  29          1HG2      VAL  29   3.866   0.285   1.991
  182   3HG1  VAL  29          2HG2      VAL  29   4.751  -0.571   3.271
  183   1HG2  VAL  29          1HG1      VAL  29   3.741   3.009   3.437
  184   2HG2  VAL  29          2HG1      VAL  29   5.106   3.579   2.462
  185   3HG2  VAL  29          3HG1      VAL  29   3.880   2.498   1.747
  186    H    LYS  30           HN       LYS  30   8.303   1.711   4.102
  187    HA   LYS  30           HA       LYS  30   9.428  -0.591   4.050
  188   1HB   LYS  30          2HB       LYS  30  10.385   1.732   4.403
  189   2HB   LYS  30          1HB       LYS  30  10.457   1.394   6.123
  190   1HG   LYS  30          2HG       LYS  30  11.782  -0.201   3.880
  191   2HG   LYS  30          1HG       LYS  30  12.588   1.002   4.901
  192   1HD   LYS  30          1HD       LYS  30  11.986  -0.480   6.914
  193   2HD   LYS  30          2HD       LYS  30  11.471  -1.707   5.739
  194   1HE   LYS  30          2HE       LYS  30  14.273  -0.578   6.070
  195   2HE   LYS  30          1HE       LYS  30  13.711  -2.232   6.378
  196   1HZ   LYS  30          3HZ       LYS  30  13.149  -2.307   3.970
  197   2HZ   LYS  30          2HZ       LYS  30  13.925  -0.881   3.789
  198   3HZ   LYS  30          1HZ       LYS  30  14.769  -2.200   4.300
  199    H    GLY  31           H        GLY  31   8.604  -2.384   4.974
  200   1HA   GLY  31          1HA       GLY  31   7.508  -3.760   6.449
  201   2HA   GLY  31          2HA       GLY  31   9.103  -3.620   7.155
  202    H    GLN  32           H        GLN  32   6.286  -1.404   7.118
  203    HA   GLN  32           HA       GLN  32   6.373  -0.639   9.810
  204   1HB   GLN  32          2HB       GLN  32   3.601  -1.204   8.703
  205   2HB   GLN  32          1HB       GLN  32   4.130   0.024   9.847
  206   1HG   GLN  32          2HG       GLN  32   5.492   0.989   7.887
  207   2HG   GLN  32          1HG       GLN  32   4.514  -0.109   6.880
  208   1HE2  GLN  32          1HE2      GLN  32   2.917   3.392   7.234
  209   2HE2  GLN  32          2HE2      GLN  32   4.635   3.070   7.291
  210    H    GLY  33           H        GLY  33   4.467  -3.125   8.587
  211   1HA   GLY  33          1HA       GLY  33   5.301  -5.419   9.909
  212   2HA   GLY  33          2HA       GLY  33   4.019  -4.834  10.979
  213    H    ALA  34           H        ALA  34   3.925  -7.258   9.428
  214    HA   ALA  34           HA       ALA  34   2.351  -6.878   7.086
  215   1HB   ALA  34          2HB       ALA  34   3.552  -8.953   7.649
  216   2HB   ALA  34          1HB       ALA  34   2.432  -9.222   9.007
  217   3HB   ALA  34          3HB       ALA  34   1.825  -9.237   7.324
  218    H    GLU  35           HN       GLU  35   1.389  -7.319  10.501
  219    HA   GLU  35           HA       GLU  35  -1.414  -7.516  10.073
  220   1HB   GLU  35          2HB       GLU  35   0.221  -6.420  12.431
  221   2HB   GLU  35          1HB       GLU  35  -1.511  -6.696  12.433
  222   1HG   GLU  35          1HG       GLU  35  -0.508  -8.589  13.491
  223   2HG   GLU  35          2HG       GLU  35  -1.115  -9.126  11.922
  224    H    GLU  36           HN       GLU  36   0.644  -4.772  10.932
  225    HA   GLU  36           HA       GLU  36  -1.156  -2.629  10.890
  226   1HB   GLU  36          1HB       GLU  36   1.801  -2.885  10.119
  227   2HB   GLU  36          2HB       GLU  36   0.998  -1.339  10.178
  228   1HG   GLU  36          2HG       GLU  36   1.183  -3.266  12.545
  229   2HG   GLU  36          1HG       GLU  36   2.316  -1.950  12.215
  230    H    LEU  37           H        LEU  37   0.986  -3.739   8.280
  231    HA   LEU  37           HA       LEU  37   0.032  -2.020   6.253
  232   1HB   LEU  37          1HB       LEU  37   1.413  -4.734   6.224
  233   2HB   LEU  37          2HB       LEU  37   1.089  -3.825   4.761
  234    HG   LEU  37           HG       LEU  37   2.666  -2.550   7.061
  235   1HD1  LEU  37          2HD2      LEU  37   3.685  -4.246   4.764
  236   2HD1  LEU  37          3HD2      LEU  37   4.716  -3.233   5.803
  237   3HD1  LEU  37          1HD2      LEU  37   3.848  -4.626   6.471
  238   1HD2  LEU  37          2HD1      LEU  37   2.536  -2.024   4.078
  239   2HD2  LEU  37          3HD1      LEU  37   1.864  -0.994   5.371
  240   3HD2  LEU  37          1HD1      LEU  37   3.610  -1.225   5.226
  241    H    TYR  38           HN       TYR  38  -0.978  -5.396   7.035
  242    HA   TYR  38           HA       TYR  38  -2.789  -5.677   4.906
  243   1HB   TYR  38          1HB       TYR  38  -2.103  -7.430   6.607
  244   2HB   TYR  38          2HB       TYR  38  -3.201  -6.741   7.731
  245    HD1  TYR  38           HE2      TYR  38  -3.689  -7.440   4.011
  246    HD2  TYR  38           HD1      TYR  38  -4.940  -8.271   8.065
  247    HE1  TYR  38           HE1      TYR  38  -5.646  -8.652   3.161
  248    HE2  TYR  38           HD2      TYR  38  -6.830  -9.606   7.187
  249    HH   TYR  38           HH       TYR  38  -7.434 -10.128   3.705
  250    H    LYS  39           HN       LYS  39  -3.403  -4.729   8.199
  251    HA   LYS  39           HA       LYS  39  -6.108  -4.027   7.915
  252   1HB   LYS  39          2HB       LYS  39  -4.784  -4.120  10.077
  253   2HB   LYS  39          1HB       LYS  39  -4.050  -2.583   9.687
  254   1HG   LYS  39          2HG       LYS  39  -5.844  -2.293  11.299
  255   2HG   LYS  39          1HG       LYS  39  -6.204  -1.430   9.798
  256   1HD   LYS  39          2HD       LYS  39  -7.800  -3.172   9.119
  257   2HD   LYS  39          1HD       LYS  39  -7.293  -4.207  10.468
  258   1HE   LYS  39          2HE       LYS  39  -9.434  -3.130  10.959
  259   2HE   LYS  39          1HE       LYS  39  -8.193  -2.551  12.081
  260   1HZ   LYS  39          2HZ       LYS  39  -9.127  -1.138   9.676
  261   2HZ   LYS  39          3HZ       LYS  39  -9.555  -0.784  11.227
  262   3HZ   LYS  39          1HZ       LYS  39  -7.996  -0.582  10.737
  263    H    LYS  40           HN       LYS  40  -3.370  -1.806   7.712
  264    HA   LYS  40           HA       LYS  40  -4.781   0.538   6.927
  265   1HB   LYS  40          2HB       LYS  40  -1.938  -0.454   6.459
  266   2HB   LYS  40          1HB       LYS  40  -2.471   1.160   6.026
  267   1HG   LYS  40          1HG       LYS  40  -2.896   1.778   8.275
  268   2HG   LYS  40          2HG       LYS  40  -2.876   0.104   8.855
  269   1HD   LYS  40          2HD       LYS  40  -0.459  -0.085   8.335
  270   2HD   LYS  40          1HD       LYS  40  -0.429   1.568   7.781
  271   1HE   LYS  40          2HE       LYS  40  -1.104   0.650  10.613
  272   2HE   LYS  40          1HE       LYS  40   0.422   1.373  10.074
  273   1HZ   LYS  40          1HZ       LYS  40  -0.836   3.337   9.457
  274   2HZ   LYS  40          3HZ       LYS  40  -2.201   2.683  10.105
  275   3HZ   LYS  40          2HZ       LYS  40  -0.912   3.015  11.077
  276    H    MET  41           H        MET  41  -3.159  -1.922   4.837
  277    HA   MET  41           HA       MET  41  -3.879  -0.586   2.433
  278   1HB   MET  41          1HB       MET  41  -2.865  -2.156   1.283
  279   2HB   MET  41          2HB       MET  41  -1.934  -2.165   2.772
  280   1HG   MET  41          1HG       MET  41  -2.069  -4.480   2.217
  281   2HG   MET  41          2HG       MET  41  -3.421  -4.254   3.354
  282   1HE   MET  41          1HE       MET  41  -2.237  -3.760  -0.112
  283   2HE   MET  41          3HE       MET  41  -3.301  -4.691  -1.165
  284   3HE   MET  41          2HE       MET  41  -3.785  -3.067  -0.650
  285    H    LYS  42           HN       LYS  42  -5.466  -3.121   4.313
  286    HA   LYS  42           HA       LYS  42  -7.630  -3.574   2.479
  287   1HB   LYS  42          2HB       LYS  42  -7.143  -5.076   4.348
  288   2HB   LYS  42          1HB       LYS  42  -7.544  -3.803   5.518
  289   1HG   LYS  42          2HG       LYS  42  -9.874  -3.723   4.576
  290   2HG   LYS  42          1HG       LYS  42  -9.469  -5.062   3.506
  291   1HD   LYS  42          2HD       LYS  42  -9.424  -5.069   6.571
  292   2HD   LYS  42          1HD       LYS  42 -10.708  -5.746   5.566
  293   1HE   LYS  42          1HE       LYS  42  -7.828  -6.750   5.719
  294   2HE   LYS  42          2HE       LYS  42  -9.258  -7.524   6.404
  295   1HZ   LYS  42          1HZ       LYS  42 -10.128  -7.752   4.179
  296   2HZ   LYS  42          3HZ       LYS  42  -8.750  -7.096   3.549
  297   3HZ   LYS  42          2HZ       LYS  42  -8.685  -8.529   4.362
  298    H    GLY  43           H        GLY  43  -7.067  -1.265   5.168
  299   1HA   GLY  43          2HA       GLY  43  -9.468   0.145   5.227
  300   2HA   GLY  43          1HA       GLY  43  -7.864   0.816   5.563
  301    H    TYR  44           H        TYR  44  -6.535   0.827   3.249
  302    HA   TYR  44           HA       TYR  44  -7.600   2.908   1.686
  303   1HB   TYR  44          2HB       TYR  44  -5.406   0.835   1.244
  304   2HB   TYR  44          1HB       TYR  44  -5.838   2.005   0.024
  305    HD1  TYR  44           HD2      TYR  44  -6.117   4.549   1.151
  306    HD2  TYR  44           HD1      TYR  44  -3.249   1.472   2.069
  307    HE1  TYR  44           HE2      TYR  44  -4.720   6.194   2.332
  308    HE2  TYR  44           HE1      TYR  44  -1.721   3.194   2.964
  309    HH   TYR  44           HH       TYR  44  -1.379   5.423   3.325
  310    H    ALA  45           H        ALA  45  -7.355  -0.609   0.864
  311    HA   ALA  45           HA       ALA  45  -8.681  -0.501  -1.605
  312   1HB   ALA  45          2HB       ALA  45  -7.473  -2.472  -0.743
  313   2HB   ALA  45          3HB       ALA  45  -8.773  -2.756   0.435
  314   3HB   ALA  45          1HB       ALA  45  -9.104  -2.885  -1.305
  315    H    ASP  46           HN       ASP  46 -10.152  -0.899   1.618
  316    HA   ASP  46           HA       ASP  46 -12.866  -1.090   0.698
  317   1HB   ASP  46          1HB       ASP  46 -12.225  -1.857   2.908
  318   2HB   ASP  46          2HB       ASP  46 -11.614  -0.256   3.345
  319    H    GLY  47           H        GLY  47 -10.753   1.620   1.677
  320   1HA   GLY  47          2HA       GLY  47 -10.857   3.756   0.714
  321   2HA   GLY  47          1HA       GLY  47 -12.583   3.575   0.373
  322    H    SER  48           H        SER  48 -11.391   2.527   3.559
  323    HA   SER  48           HA       SER  48 -12.885   4.694   4.878
  324   1HB   SER  48          2HB       SER  48 -11.890   3.113   6.810
  325   2HB   SER  48          1HB       SER  48 -13.383   2.703   5.943
  326    HG   SER  48           HG       SER  48 -12.370   1.182   4.873
  327    H    TYR  49           H        TYR  49  -9.691   3.079   4.957
  328    HA   TYR  49           HA       TYR  49  -8.466   5.333   6.378
  329   1HB   TYR  49          2HB       TYR  49  -7.716   2.888   6.673
  330   2HB   TYR  49          1HB       TYR  49  -7.110   2.961   5.033
  331    HD1  TYR  49           HD2      TYR  49  -6.920   5.156   8.104
  332    HD2  TYR  49           HD1      TYR  49  -4.777   3.204   4.907
  333    HE1  TYR  49           HE2      TYR  49  -4.831   6.319   8.774
  334    HE2  TYR  49           HE1      TYR  49  -2.680   4.298   5.655
  335    HH   TYR  49           HH       TYR  49  -1.672   5.646   7.381
  336    H    GLY  50           H        GLY  50  -9.349   6.860   4.530
  337   1HA   GLY  50          2HA       GLY  50  -7.066   7.444   2.800
  338   2HA   GLY  50          1HA       GLY  50  -8.463   6.820   1.918
  339    H    GLY  51           H        GLY  51  -7.995   9.078   0.988
  340   1HA   GLY  51          2HA       GLY  51  -9.871  10.911   1.053
  341   2HA   GLY  51          1HA       GLY  51  -8.960  11.403   2.502
  342    H    GLU  52           HN       GLU  52  -9.093  13.109   0.229
  343    HA   GLU  52           HA       GLU  52  -7.900  14.248  -1.281
  344   1HB   GLU  52          1HB       GLU  52  -5.577  13.479   0.542
  345   2HB   GLU  52          2HB       GLU  52  -5.682  14.914  -0.517
  346   1HG   GLU  52          1HG       GLU  52  -7.489  15.815   0.863
  347   2HG   GLU  52          2HG       GLU  52  -7.409  14.401   1.932
  348    H    ARG  53           HN       ARG  53  -4.923  13.350  -1.366
  349    HA   ARG  53           HA       ARG  53  -4.757  12.240  -3.921
  350   1HB   ARG  53          2HB       ARG  53  -2.424  11.973  -3.434
  351   2HB   ARG  53          1HB       ARG  53  -2.968  13.401  -2.547
  352   1HG   ARG  53          1HG       ARG  53  -3.296  11.623  -0.541
  353   2HG   ARG  53          2HG       ARG  53  -2.190  10.653  -1.514
  354   1HD   ARG  53          2HD       ARG  53  -0.708  11.767  -0.211
  355   2HD   ARG  53          1HD       ARG  53  -0.786  12.955  -1.514
  356    HE   ARG  53           HE       ARG  53  -2.782  13.833   0.092
  357   1HH1  ARG  53          1HH2      ARG  53   0.577  13.001   0.791
  358   2HH1  ARG  53          2HH2      ARG  53   0.643  13.842   2.309
  359   1HH2  ARG  53          1HH1      ARG  53  -2.752  14.981   2.050
  360   2HH2  ARG  53          2HH1      ARG  53  -1.288  15.050   3.003
  361    H    LYS  54           HN       LYS  54  -5.290  10.658  -0.811
  362    HA   LYS  54           HA       LYS  54  -4.259   8.096  -1.561
  363   1HB   LYS  54          1HB       LYS  54  -6.193   8.694   0.685
  364   2HB   LYS  54          2HB       LYS  54  -5.115   7.340   0.516
  365   1HG   LYS  54          2HG       LYS  54  -3.176   9.065   0.530
  366   2HG   LYS  54          1HG       LYS  54  -4.391  10.272   0.979
  367   1HD   LYS  54          2HD       LYS  54  -4.985   8.758   2.962
  368   2HD   LYS  54          1HD       LYS  54  -3.449   7.925   2.611
  369   1HE   LYS  54          2HE       LYS  54  -2.219  10.044   2.842
  370   2HE   LYS  54          1HE       LYS  54  -3.733  10.901   3.189
  371   1HZ   LYS  54          1HZ       LYS  54  -2.615   8.715   4.800
  372   2HZ   LYS  54          2HZ       LYS  54  -2.550  10.318   5.172
  373   3HZ   LYS  54          3HZ       LYS  54  -4.002   9.542   5.121
  374    H    ALA  55           H        ALA  55  -7.083   9.777  -2.546
  375    HA   ALA  55           HA       ALA  55  -8.886   7.618  -2.946
  376   1HB   ALA  55          3HB       ALA  55  -9.489   9.981  -3.268
  377   2HB   ALA  55          1HB       ALA  55  -8.378  10.093  -4.651
  378   3HB   ALA  55          2HB       ALA  55  -9.807   9.041  -4.739
  379    H    MET  56           H        MET  56  -5.981   8.713  -4.757
  380    HA   MET  56           HA       MET  56  -6.366   7.096  -7.097
  381   1HB   MET  56          1HB       MET  56  -4.822   9.042  -6.903
  382   2HB   MET  56          2HB       MET  56  -3.795   8.122  -5.794
  383   1HG   MET  56          2HG       MET  56  -3.525   6.389  -7.649
  384   2HG   MET  56          1HG       MET  56  -4.345   7.526  -8.722
  385   1HE   MET  56          3HE       MET  56  -3.399  10.029  -9.061
  386   2HE   MET  56          2HE       MET  56  -2.878  10.329  -7.380
  387   3HE   MET  56          1HE       MET  56  -1.717  10.497  -8.714
  388    H    MET  57           H        MET  57  -4.347   6.702  -4.215
  389    HA   MET  57           HA       MET  57  -3.377   4.102  -4.584
  390   1HB   MET  57          2HB       MET  57  -2.523   5.712  -2.985
  391   2HB   MET  57          1HB       MET  57  -4.054   5.682  -2.091
  392   1HG   MET  57          1HG       MET  57  -3.643   3.432  -1.328
  393   2HG   MET  57          2HG       MET  57  -2.252   3.254  -2.398
  394   1HE   MET  57          1HE       MET  57  -3.394   6.189  -0.061
  395   2HE   MET  57          2HE       MET  57  -1.914   6.574   0.822
  396   3HE   MET  57          3HE       MET  57  -1.998   6.878  -0.925
  397    H    THR  58           H        THR  58  -6.328   5.213  -2.876
  398    HA   THR  58           HA       THR  58  -7.413   2.769  -2.055
  399    HB   THR  58           HB       THR  58  -8.712   5.350  -2.983
  400    HG1  THR  58           HG1      THR  58  -7.522   5.508  -1.136
  401   1HG2  THR  58          2HG2      THR  58 -10.120   2.936  -1.838
  402   2HG2  THR  58          3HG2      THR  58 -10.745   4.593  -1.745
  403   3HG2  THR  58          1HG2      THR  58 -10.476   3.830  -3.317
  404    H    ASN  59           H        ASN  59  -8.094   4.495  -5.206
  405    HA   ASN  59           HA       ASN  59  -9.632   2.341  -6.223
  406   1HB   ASN  59          1HB       ASN  59  -9.446   4.710  -7.142
  407   2HB   ASN  59          2HB       ASN  59  -7.969   4.190  -7.959
  408   1HD2  ASN  59          1HD2      ASN  59 -10.471   1.724  -9.717
  409   2HD2  ASN  59          2HD2      ASN  59  -9.374   1.289  -8.422
  410    H    ALA  60           H        ALA  60  -6.083   2.976  -6.385
  411    HA   ALA  60           HA       ALA  60  -5.486   0.871  -8.193
  412   1HB   ALA  60          2HB       ALA  60  -3.887   2.625  -7.615
  413   2HB   ALA  60          1HB       ALA  60  -3.752   1.995  -5.964
  414   3HB   ALA  60          3HB       ALA  60  -3.204   1.011  -7.338
  415    H    VAL  61           H        VAL  61  -5.352   0.768  -4.544
  416    HA   VAL  61           HA       VAL  61  -4.935  -2.095  -4.635
  417    HB   VAL  61           HB       VAL  61  -5.409  -2.065  -2.209
  418   1HG1  VAL  61          2HG2      VAL  61  -3.131  -1.910  -3.088
  419   2HG1  VAL  61          3HG2      VAL  61  -3.285  -0.145  -3.243
  420   3HG1  VAL  61          1HG2      VAL  61  -3.308  -0.897  -1.639
  421   1HG2  VAL  61          1HG1      VAL  61  -6.772   0.202  -2.373
  422   2HG2  VAL  61          3HG1      VAL  61  -5.763  -0.188  -0.961
  423   3HG2  VAL  61          2HG1      VAL  61  -5.167   0.928  -2.183
  424    H    LYS  62           HN       LYS  62  -7.909  -0.159  -4.734
  425    HA   LYS  62           HA       LYS  62  -9.750  -2.100  -3.886
  426   1HB   LYS  62          1HB       LYS  62 -10.291   0.270  -4.512
  427   2HB   LYS  62          2HB       LYS  62 -10.012  -0.151  -6.202
  428   1HG   LYS  62          2HG       LYS  62 -12.311  -0.154  -6.048
  429   2HG   LYS  62          1HG       LYS  62 -11.900  -1.859  -5.986
  430   1HD   LYS  62          2HD       LYS  62 -13.519  -1.628  -4.319
  431   2HD   LYS  62          1HD       LYS  62 -12.015  -1.598  -3.392
  432   1HE   LYS  62          1HE       LYS  62 -12.144   0.939  -3.404
  433   2HE   LYS  62          2HE       LYS  62 -13.687   0.822  -4.271
  434   1HZ   LYS  62          1HZ       LYS  62 -14.537  -0.406  -2.377
  435   2HZ   LYS  62          3HZ       LYS  62 -13.078  -0.241  -1.614
  436   3HZ   LYS  62          2HZ       LYS  62 -13.994   1.086  -1.923
  437    H    LYS  63           HN       LYS  63  -7.784  -1.964  -6.863
  438    HA   LYS  63           HA       LYS  63  -9.393  -3.814  -8.323
  439   1HB   LYS  63          2HB       LYS  63  -6.431  -3.308  -8.704
  440   2HB   LYS  63          1HB       LYS  63  -7.576  -3.949  -9.879
  441   1HG   LYS  63          2HG       LYS  63  -7.329  -1.122  -8.823
  442   2HG   LYS  63          1HG       LYS  63  -7.146  -1.683 -10.472
  443   1HD   LYS  63          2HD       LYS  63  -9.763  -1.568  -8.891
  444   2HD   LYS  63          1HD       LYS  63  -9.225  -0.433 -10.127
  445   1HE   LYS  63          1HE       LYS  63  -9.220  -2.239 -11.834
  446   2HE   LYS  63          2HE       LYS  63  -9.786  -3.400 -10.621
  447   1HZ   LYS  63          1HZ       LYS  63 -11.233  -0.998 -11.479
  448   2HZ   LYS  63          2HZ       LYS  63 -11.569  -2.547 -11.926
  449   3HZ   LYS  63          3HZ       LYS  63 -11.751  -2.088 -10.355
  450    H    ALA  64           H        ALA  64  -7.238  -4.316  -5.635
  451    HA   ALA  64           HA       ALA  64  -6.279  -6.967  -6.456
  452   1HB   ALA  64          1HB       ALA  64  -4.813  -5.341  -5.333
  453   2HB   ALA  64          2HB       ALA  64  -5.898  -5.312  -3.938
  454   3HB   ALA  64          3HB       ALA  64  -5.025  -6.792  -4.331
  455    H    SER  65           H        SER  65  -6.904  -8.866  -5.540
  456    HA   SER  65           HA       SER  65  -9.510  -8.923  -4.088
  457   1HB   SER  65          2HB       SER  65  -9.232 -10.389  -6.082
  458   2HB   SER  65          1HB       SER  65  -7.900 -11.231  -5.252
  459    HG   SER  65           HG       SER  65  -9.865 -12.318  -4.891
  460    H    ASP  66           HN       ASP  66  -9.557 -10.699  -2.290
  461    HA   ASP  66           HA       ASP  66  -8.027  -9.743  -0.159
  462   1HB   ASP  66          2HB       ASP  66 -10.065 -11.042   0.197
  463   2HB   ASP  66          1HB       ASP  66  -9.254 -12.508  -0.389
  464    H    GLU  67           HN       GLU  67  -7.223 -12.615  -2.207
  465    HA   GLU  67           HA       GLU  67  -5.020 -13.543  -0.811
  466   1HB   GLU  67          1HB       GLU  67  -5.868 -13.464  -3.751
  467   2HB   GLU  67          2HB       GLU  67  -4.468 -14.309  -3.150
  468   1HG   GLU  67          2HG       GLU  67  -6.259 -15.906  -3.363
  469   2HG   GLU  67          1HG       GLU  67  -5.862 -15.701  -1.653
  470    H    GLU  68           HN       GLU  68  -5.272 -11.017  -3.333
  471    HA   GLU  68           HA       GLU  68  -2.485 -10.558  -3.606
  472   1HB   GLU  68          2HB       GLU  68  -5.020  -8.996  -4.288
  473   2HB   GLU  68          1HB       GLU  68  -3.417  -8.641  -4.802
  474   1HG   GLU  68          2HG       GLU  68  -4.887 -11.216  -5.528
  475   2HG   GLU  68          1HG       GLU  68  -4.924  -9.740  -6.501
  476    H    LEU  69           H        LEU  69  -5.219  -8.952  -1.937
  477    HA   LEU  69           HA       LEU  69  -3.841  -6.784  -0.805
  478   1HB   LEU  69          1HB       LEU  69  -6.131  -8.424   0.373
  479   2HB   LEU  69          2HB       LEU  69  -5.620  -6.895   1.032
  480    HG   LEU  69           HG       LEU  69  -6.830  -7.303  -1.733
  481   1HD1  LEU  69          2HD2      LEU  69  -8.436  -7.632   0.166
  482   2HD1  LEU  69          3HD2      LEU  69  -7.996  -6.035   0.784
  483   3HD1  LEU  69          1HD2      LEU  69  -8.802  -6.192  -0.790
  484   1HD2  LEU  69          3HD1      LEU  69  -5.348  -5.289  -1.668
  485   2HD2  LEU  69          2HD1      LEU  69  -7.054  -4.917  -1.913
  486   3HD2  LEU  69          1HD1      LEU  69  -6.342  -4.657  -0.328
  487    H    LYS  70           HN       LYS  70  -4.383 -10.018   0.658
  488    HA   LYS  70           HA       LYS  70  -2.856  -9.618   3.019
  489   1HB   LYS  70          1HB       LYS  70  -3.439 -12.106   1.361
  490   2HB   LYS  70          2HB       LYS  70  -2.579 -12.153   2.909
  491   1HG   LYS  70          2HG       LYS  70  -4.477 -11.128   4.056
  492   2HG   LYS  70          1HG       LYS  70  -5.395 -11.054   2.542
  493   1HD   LYS  70          1HD       LYS  70  -4.478 -13.567   4.016
  494   2HD   LYS  70          2HD       LYS  70  -6.125 -12.919   3.913
  495   1HE   LYS  70          2HE       LYS  70  -5.926 -13.192   1.363
  496   2HE   LYS  70          1HE       LYS  70  -4.467 -14.154   1.674
  497   1HZ   LYS  70          2HZ       LYS  70  -5.847 -15.594   3.034
  498   2HZ   LYS  70          1HZ       LYS  70  -7.179 -14.693   2.652
  499   3HZ   LYS  70          3HZ       LYS  70  -6.383 -15.522   1.475
  500    H    ALA  71           H        ALA  71  -1.936 -10.999  -0.172
  501    HA   ALA  71           HA       ALA  71   0.774 -11.338   0.504
  502   1HB   ALA  71          2HB       ALA  71  -0.370 -12.426  -1.418
  503   2HB   ALA  71          3HB       ALA  71  -0.472 -10.854  -2.240
  504   3HB   ALA  71          1HB       ALA  71   1.115 -11.593  -1.923
  505    H    LEU  72           H        LEU  72  -0.875  -8.282  -0.559
  506    HA   LEU  72           HA       LEU  72   1.580  -7.067  -1.365
  507   1HB   LEU  72          2HB       LEU  72  -1.165  -6.538  -1.536
  508   2HB   LEU  72          1HB       LEU  72  -0.639  -5.375  -0.368
  509    HG   LEU  72           HG       LEU  72   0.398  -5.894  -3.209
  510   1HD1  LEU  72          1HD2      LEU  72  -1.828  -4.840  -3.078
  511   2HD1  LEU  72          2HD2      LEU  72  -1.145  -3.532  -2.097
  512   3HD1  LEU  72          3HD2      LEU  72  -0.627  -3.736  -3.775
  513   1HD2  LEU  72          1HD1      LEU  72   2.298  -5.009  -1.873
  514   2HD2  LEU  72          2HD1      LEU  72   1.734  -3.864  -3.094
  515   3HD2  LEU  72          3HD1      LEU  72   1.287  -3.628  -1.399
  516    H    ALA  73           H        ALA  73  -0.432  -7.211   1.595
  517    HA   ALA  73           HA       ALA  73   1.217  -5.588   3.239
  518   1HB   ALA  73          3HB       ALA  73  -1.065  -6.294   3.791
  519   2HB   ALA  73          2HB       ALA  73  -0.523  -7.959   4.065
  520   3HB   ALA  73          1HB       ALA  73   0.076  -6.658   5.107
  521    H    ASP  74           HN       ASP  74   1.164  -9.202   2.950
  522    HA   ASP  74           HA       ASP  74   3.362  -9.776   4.538
  523   1HB   ASP  74          1HB       ASP  74   2.613 -11.150   1.922
  524   2HB   ASP  74          2HB       ASP  74   3.626 -11.824   3.200
  525    H    TYR  75           H        TYR  75   3.418  -8.894   1.027
  526    HA   TYR  75           HA       TYR  75   6.232  -9.113   0.734
  527   1HB   TYR  75          1HB       TYR  75   4.599  -8.938  -1.117
  528   2HB   TYR  75          2HB       TYR  75   4.264  -7.271  -0.702
  529    HD1  TYR  75           HD1      TYR  75   7.098  -9.560  -1.631
  530    HD2  TYR  75           HD2      TYR  75   5.562  -5.530  -1.688
  531    HE1  TYR  75           HE1      TYR  75   9.040  -8.841  -2.981
  532    HE2  TYR  75           HE2      TYR  75   7.512  -4.822  -3.050
  533    HH   TYR  75           HH       TYR  75  10.101  -7.068  -4.014
  534    H    MET  76           H        MET  76   4.246  -6.175   1.213
  535    HA   MET  76           HA       MET  76   6.343  -4.337   1.587
  536   1HB   MET  76          1HB       MET  76   3.474  -4.375   2.553
  537   2HB   MET  76          2HB       MET  76   4.572  -3.023   2.901
  538   1HG   MET  76          1HG       MET  76   4.969  -2.680   0.514
  539   2HG   MET  76          2HG       MET  76   3.853  -3.980   0.114
  540   1HE   MET  76          2HE       MET  76   1.277  -3.928   0.820
  541   2HE   MET  76          1HE       MET  76   1.436  -3.202   2.428
  542   3HE   MET  76          3HE       MET  76   0.395  -2.443   1.208
  543    H    SER  77           H        SER  77   4.988  -6.624   4.021
  544    HA   SER  77           HA       SER  77   6.096  -5.377   6.247
  545   1HB   SER  77          1HB       SER  77   5.497  -7.235   7.383
  546   2HB   SER  77          2HB       SER  77   4.330  -7.190   6.074
  547    HG   SER  77           HG       SER  77   5.802  -8.760   5.021
  548    H    LYS  78           HN       LYS  78   7.846  -6.985   3.690
  549    HA   LYS  78           HA       LYS  78  10.255  -7.177   5.439
  550   1HB   LYS  78          1HB       LYS  78   9.120  -9.434   5.203
  551   2HB   LYS  78          2HB       LYS  78   9.377  -9.323   3.455
  552   1HG   LYS  78          1HG       LYS  78  11.844  -9.194   3.862
  553   2HG   LYS  78          2HG       LYS  78  11.540  -9.266   5.611
  554   1HD   LYS  78          1HD       LYS  78  10.490 -11.513   5.327
  555   2HD   LYS  78          2HD       LYS  78  10.733 -11.403   3.577
  556   1HE   LYS  78          1HE       LYS  78  12.470 -12.807   4.552
  557   2HE   LYS  78          2HE       LYS  78  13.196 -11.326   3.908
  558   1HZ   LYS  78          3HZ       LYS  78  12.542 -11.835   6.730
  559   2HZ   LYS  78          1HZ       LYS  78  14.048 -11.888   6.062
  560   3HZ   LYS  78          2HZ       LYS  78  13.233 -10.459   6.140
  561    H    LEU  79           H        LEU  79   9.831  -4.900   4.141
  562    HA   LEU  79           HA       LEU  79  11.503  -4.915   1.786
  563   1HB   LEU  79          2HB       LEU  79   9.073  -5.450   1.143
  564   2HB   LEU  79          1HB       LEU  79   8.597  -4.051   2.127
  565    HG   LEU  79           HG       LEU  79   9.981  -2.630   0.644
  566   1HD1  LEU  79          3HD1      LEU  79   9.981  -5.204  -1.034
  567   2HD1  LEU  79          1HD1      LEU  79  10.442  -3.619  -1.681
  568   3HD1  LEU  79          2HD1      LEU  79  11.415  -4.369  -0.404
  569   1HD2  LEU  79          2HD2      LEU  79   7.618  -4.192  -0.471
  570   2HD2  LEU  79          1HD2      LEU  79   7.575  -2.671   0.450
  571   3HD2  LEU  79          3HD2      LEU  79   8.236  -2.691  -1.196
  572    HHA  HEC   1           HHA      HEM   1   1.699   4.992   3.831
  573    HHB  HEC   1           HHB      HEM   1   0.058  -0.087   0.387
  574    HHC  HEC   1           HHC      HEM   1   0.597   3.515  -4.888
  575    HHD  HEC   1           HHD      HEM   1   0.992   8.707  -1.141
  576   1HMA  HEC   1          1HMA      HEM   1  -0.018  -0.005   4.202
  577   2HMA  HEC   1          2HMA      HEM   1   1.053  -0.682   2.948
  578   3HMA  HEC   1          3HMA      HEM   1  -0.666  -0.375   2.604
  579   1HAA  HEC   1          1HAA      HEM   1   2.070   3.103   5.031
  580   2HAA  HEC   1          2HAA      HEM   1   1.285   1.563   5.314
  581   1HBA  HEC   1          1HBA      HEM   1  -0.812   2.513   5.724
  582   2HBA  HEC   1          2HBA      HEM   1  -0.451   3.994   4.874
  583   1HMB  HEC   1          1HMB      HEM   1   0.794  -1.383  -1.589
  584   2HMB  HEC   1          2HMB      HEM   1  -0.177  -1.502  -3.055
  585   3HMB  HEC   1          3HMB      HEM   1  -0.975  -1.219  -1.496
  586    HAB  HEC   1           HAB      HEM   1   0.354   1.528  -5.531
  587   1HBB  HEC   1          1HBB      HEM   1  -1.078  -0.166  -6.351
  588   2HBB  HEC   1          2HBB      HEM   1  -1.357  -0.841  -4.743
  589   3HBB  HEC   1          3HBB      HEM   1  -1.978   0.771  -5.135
  590   1HMC  HEC   1          1HMC      HEM   1   1.558   5.537  -6.176
  591   2HMC  HEC   1          2HMC      HEM   1   0.699   7.094  -6.239
  592   3HMC  HEC   1          3HMC      HEM   1  -0.217   5.591  -6.094
  593    HAC  HEC   1           HAC      HEM   1   1.539   8.824  -4.979
  594   1HBC  HEC   1          1HBC      HEM   1  -0.231   9.451  -2.965
  595   2HBC  HEC   1          2HBC      HEM   1   1.275  10.318  -2.560
  596   3HBC  HEC   1          3HBC      HEM   1   0.508  10.503  -4.149
  597   1HMD  HEC   1          1HMD      HEM   1   0.277  10.037   2.342
  598   2HMD  HEC   1          2HMD      HEM   1  -0.646   9.721   0.862
  599   3HMD  HEC   1          3HMD      HEM   1   1.101  10.055   0.783
  600   1HAD  HEC   1          1HAD      HEM   1   0.587   8.757   4.124
  601   2HAD  HEC   1          2HAD      HEM   1  -0.795   7.711   4.102
  602   1HBD  HEC   1          1HBD      HEM   1   0.301   6.015   5.269
  603   2HBD  HEC   1          2HBD      HEM   1   1.931   6.672   5.052
   
  No H/Q in entry =         603
  Start of MODEL   27
    1   1H    ALA   1          2H        ALA   1  -1.386 -14.998  -5.493
    2   2H    ALA   1          3H        ALA   1  -2.392 -15.194  -4.163
    3   3H    ALA   1          1H        ALA   1  -2.381 -13.779  -5.032
    4    HA   ALA   1           HA       ALA   1  -1.053 -13.142  -3.335
    5   1HB   ALA   1          1HB       ALA   1   0.240 -15.907  -3.508
    6   2HB   ALA   1          2HB       ALA   1   0.718 -14.609  -2.396
    7   3HB   ALA   1          3HB       ALA   1  -0.883 -15.356  -2.244
    8    H    ASP   2           HN       ASP   2   1.253 -12.247  -3.620
    9    HA   ASP   2           HA       ASP   2   2.853 -12.912  -5.857
   10   1HB   ASP   2          1HB       ASP   2   1.324 -12.154  -7.441
   11   2HB   ASP   2          2HB       ASP   2   0.683 -10.903  -6.370
   12    H    GLY   3           H        GLY   3   1.759 -10.049  -4.637
   13   1HA   GLY   3          1HA       GLY   3   2.721  -8.372  -3.178
   14   2HA   GLY   3          2HA       GLY   3   4.145  -9.397  -3.021
   15    H    ALA   4           H        ALA   4   5.224  -9.779  -5.305
   16    HA   ALA   4           HA       ALA   4   6.562  -7.361  -5.911
   17   1HB   ALA   4          3HB       ALA   4   7.584  -9.566  -6.143
   18   2HB   ALA   4          2HB       ALA   4   6.499  -9.963  -7.490
   19   3HB   ALA   4          1HB       ALA   4   7.697  -8.662  -7.665
   20    H    ALA   5           H        ALA   5   4.487  -9.192  -8.241
   21    HA   ALA   5           HA       ALA   5   4.593  -7.222 -10.252
   22   1HB   ALA   5          2HB       ALA   5   3.894  -9.594 -10.594
   23   2HB   ALA   5          1HB       ALA   5   2.333  -9.210  -9.825
   24   3HB   ALA   5          3HB       ALA   5   2.802  -8.404 -11.327
   25    H    LEU   6           H        LEU   6   2.504  -7.343  -7.340
   26    HA   LEU   6           HA       LEU   6   0.655  -5.351  -8.186
   27   1HB   LEU   6          2HB       LEU   6   1.581  -6.657  -5.653
   28   2HB   LEU   6          1HB       LEU   6   0.403  -5.381  -5.650
   29    HG   LEU   6           HG       LEU   6   0.027  -7.839  -7.401
   30   1HD1  LEU   6          1HD1      LEU   6   0.508  -8.541  -5.072
   31   2HD1  LEU   6          2HD1      LEU   6  -0.829  -7.519  -4.504
   32   3HD1  LEU   6          3HD1      LEU   6  -1.146  -8.907  -5.579
   33   1HD2  LEU   6          1HD2      LEU   6  -1.986  -5.976  -6.058
   34   2HD2  LEU   6          2HD2      LEU   6  -1.576  -5.973  -7.789
   35   3HD2  LEU   6          3HD2      LEU   6  -2.376  -7.379  -7.068
   36    H    TYR   7           H        TYR   7   3.459  -5.441  -5.914
   37    HA   TYR   7           HA       TYR   7   3.511  -2.788  -5.195
   38   1HB   TYR   7          1HB       TYR   7   4.657  -4.622  -4.029
   39   2HB   TYR   7          2HB       TYR   7   5.848  -4.707  -5.329
   40    HD1  TYR   7           HD2      TYR   7   4.303  -1.973  -3.199
   41    HD2  TYR   7           HD1      TYR   7   7.933  -3.821  -4.618
   42    HE1  TYR   7           HE2      TYR   7   5.628  -0.146  -2.192
   43    HE2  TYR   7           HE1      TYR   7   9.253  -2.113  -3.428
   44    HH   TYR   7           HH       TYR   7   8.936   0.370  -2.834
   45    H    LYS   8           HN       LYS   8   4.819  -4.098  -8.225
   46    HA   LYS   8           HA       LYS   8   6.632  -2.074  -8.886
   47   1HB   LYS   8          1HB       LYS   8   6.403  -2.742 -11.110
   48   2HB   LYS   8          2HB       LYS   8   6.107  -4.202 -10.149
   49   1HG   LYS   8          1HG       LYS   8   3.615  -3.680 -10.363
   50   2HG   LYS   8          2HG       LYS   8   4.045  -2.390 -11.478
   51   1HD   LYS   8          1HD       LYS   8   5.293  -4.134 -12.868
   52   2HD   LYS   8          2HD       LYS   8   4.489  -5.354 -11.864
   53   1HE   LYS   8          1HE       LYS   8   3.199  -3.282 -13.706
   54   2HE   LYS   8          2HE       LYS   8   3.145  -5.046 -13.857
   55   1HZ   LYS   8          1HZ       LYS   8   1.909  -5.051 -11.755
   56   2HZ   LYS   8          3HZ       LYS   8   1.858  -3.410 -11.780
   57   3HZ   LYS   8          2HZ       LYS   8   1.114  -4.267 -12.975
   58    H    SER   9           H        SER   9   3.111  -2.020  -8.718
   59    HA   SER   9           HA       SER   9   2.747   0.434 -10.230
   60   1HB   SER   9          2HB       SER   9   0.703  -0.838  -8.410
   61   2HB   SER   9          1HB       SER   9   0.473  -0.034  -9.971
   62    HG   SER   9           HG       SER   9   1.394  -2.636  -9.355
   63    H    CYS  10           H        CYS  10   4.037  -0.070  -7.213
   64    HA   CYS  10           HA       CYS  10   2.818   2.352  -5.981
   65   1HB   CYS  10          2HB       CYS  10   4.025   0.045  -4.501
   66   2HB   CYS  10          1HB       CYS  10   2.927   1.250  -3.886
   67    H    ILE  11           H        ILE  11   5.818   0.424  -6.423
   68    HA   ILE  11           HA       ILE  11   7.642   1.876  -4.979
   69    HB   ILE  11           HB       ILE  11   9.318   1.466  -6.807
   70   1HG1  ILE  11          1HG1      ILE  11   7.026   0.036  -8.171
   71   2HG1  ILE  11          2HG1      ILE  11   7.756   1.533  -8.763
   72   1HG2  ILE  11          1HG2      ILE  11   8.932  -0.079  -4.977
   73   2HG2  ILE  11          3HG2      ILE  11   7.669  -0.920  -5.914
   74   3HG2  ILE  11          2HG2      ILE  11   9.372  -0.962  -6.427
   75   1HD1  ILE  11          3HD1      ILE  11   9.953   0.341  -8.958
   76   2HD1  ILE  11          1HD1      ILE  11   9.098  -1.184  -8.612
   77   3HD1  ILE  11          2HD1      ILE  11   8.674  -0.239 -10.043
   78    H    GLY  12           H        GLY  12   6.215   2.934  -8.049
   79   1HA   GLY  12          1HA       GLY  12   7.813   5.074  -8.753
   80   2HA   GLY  12          2HA       GLY  12   6.054   5.028  -8.963
   81    H    CYS  13           H        CYS  13   5.460   4.915  -6.046
   82    HA   CYS  13           HA       CYS  13   6.005   7.804  -5.419
   83   1HB   CYS  13          1HB       CYS  13   3.685   7.148  -5.971
   84   2HB   CYS  13          2HB       CYS  13   3.710   6.052  -4.564
   85    H    HIS  14           HN       HIS  14   6.005   4.461  -4.179
   86    HA   HIS  14           HA       HIS  14   6.631   5.298  -1.462
   87   1HB   HIS  14          1HB       HIS  14   6.063   2.733  -2.979
   88   2HB   HIS  14          2HB       HIS  14   6.832   2.667  -1.419
   89    HD1  HIS  14           HD1      HIS  14   5.583   4.115   0.549
   90    HD2  HIS  14           HD2      HIS  14   3.335   3.384  -2.887
   91    HE1  HIS  14           HE1      HIS  14   3.209   4.621   1.129
   92    H    GLY  15           H        GLY  15   8.536   4.311  -4.207
   93   1HA   GLY  15          2HA       GLY  15  10.864   4.617  -4.334
   94   2HA   GLY  15          1HA       GLY  15  11.017   4.531  -2.573
   95    H    ALA  16           H        ALA  16  12.774   3.078  -3.785
   96    HA   ALA  16           HA       ALA  16  12.305   0.637  -4.931
   97   1HB   ALA  16          2HB       ALA  16  14.522   1.663  -4.699
   98   2HB   ALA  16          3HB       ALA  16  14.510   1.344  -2.949
   99   3HB   ALA  16          1HB       ALA  16  14.534  -0.007  -4.102
  100    H    ASP  17           HN       ASP  17  12.593   1.189  -1.362
  101    HA   ASP  17           HA       ASP  17  11.135  -1.375  -0.904
  102   1HB   ASP  17          2HB       ASP  17  13.682  -0.454   0.518
  103   2HB   ASP  17          1HB       ASP  17  12.714  -1.870   0.932
  104    H    GLY  18           H        GLY  18   9.484   0.373  -0.836
  105   1HA   GLY  18          2HA       GLY  18   8.167   1.959   0.185
  106   2HA   GLY  18          1HA       GLY  18   8.457   0.931   1.602
  107    H    SER  19           H        SER  19  10.927   2.797  -0.060
  108    HA   SER  19           HA       SER  19  11.968   3.720   2.367
  109   1HB   SER  19          1HB       SER  19  12.923   4.517  -0.386
  110   2HB   SER  19          2HB       SER  19  13.849   4.064   1.055
  111    HG   SER  19           HG       SER  19  12.825   1.920   0.767
  112    H    LYS  20           HN       LYS  20  10.209   5.519  -0.223
  113    HA   LYS  20           HA       LYS  20  11.168   8.034   1.069
  114   1HB   LYS  20          2HB       LYS  20  10.803   9.218  -0.855
  115   2HB   LYS  20          1HB       LYS  20  11.703   7.760  -1.287
  116   1HG   LYS  20          1HG       LYS  20   9.697   6.798  -2.293
  117   2HG   LYS  20          2HG       LYS  20   8.732   8.208  -1.801
  118   1HD   LYS  20          2HD       LYS  20  10.276   9.692  -3.089
  119   2HD   LYS  20          1HD       LYS  20  11.195   8.280  -3.627
  120   1HE   LYS  20          2HE       LYS  20   8.261   8.853  -4.257
  121   2HE   LYS  20          1HE       LYS  20   9.624   9.134  -5.346
  122   1HZ   LYS  20          2HZ       LYS  20  10.093   6.792  -5.292
  123   2HZ   LYS  20          1HZ       LYS  20   8.794   6.527  -4.311
  124   3HZ   LYS  20          3HZ       LYS  20   8.569   7.093  -5.844
  125    H    ALA  21           H        ALA  21   9.828   9.753   1.499
  126    HA   ALA  21           HA       ALA  21   7.337   9.061   2.777
  127   1HB   ALA  21          2HB       ALA  21   8.624  11.761   2.189
  128   2HB   ALA  21          3HB       ALA  21   7.221  11.481   3.243
  129   3HB   ALA  21          1HB       ALA  21   8.802  10.800   3.674
  130    H    ALA  22           H        ALA  22   6.059   8.192   1.149
  131    HA   ALA  22           HA       ALA  22   5.469   9.118  -1.336
  132   1HB   ALA  22          1HB       ALA  22   4.632   7.028  -0.331
  133   2HB   ALA  22          2HB       ALA  22   3.446   7.958   0.617
  134   3HB   ALA  22          3HB       ALA  22   3.376   7.942  -1.161
  135    H    MET  23           H        MET  23   4.008  10.535  -2.321
  136    HA   MET  23           HA       MET  23   3.290  12.651  -2.673
  137   1HB   MET  23          1HB       MET  23   1.678  12.150  -0.145
  138   2HB   MET  23          2HB       MET  23   1.318  13.340  -1.409
  139   1HG   MET  23          2HG       MET  23   1.174  11.432  -3.050
  140   2HG   MET  23          1HG       MET  23   1.279  10.331  -1.652
  141   1HE   MET  23          1HE       MET  23  -1.007  10.553  -4.024
  142   2HE   MET  23          3HE       MET  23  -0.953   9.229  -2.829
  143   3HE   MET  23          2HE       MET  23  -2.443  10.163  -3.056
  144    H    GLY  24           H        GLY  24   5.720  12.343  -0.717
  145   1HA   GLY  24          1HA       GLY  24   7.113  13.777   0.329
  146   2HA   GLY  24          2HA       GLY  24   6.164  15.129  -0.307
  147    H    SER  25           H        SER  25   4.445  12.715   1.586
  148    HA   SER  25           HA       SER  25   4.756  13.834   4.214
  149   1HB   SER  25          1HB       SER  25   2.487  14.895   2.481
  150   2HB   SER  25          2HB       SER  25   2.299  14.732   4.234
  151    HG   SER  25           HG       SER  25   4.484  16.119   3.113
  152    H    ALA  26           H        ALA  26   4.998  11.467   4.344
  153    HA   ALA  26           HA       ALA  26   2.548  10.162   5.136
  154   1HB   ALA  26          2HB       ALA  26   4.073   9.240   2.650
  155   2HB   ALA  26          1HB       ALA  26   2.856   8.275   3.481
  156   3HB   ALA  26          3HB       ALA  26   2.388   9.797   2.685
  157    H    LYS  27           HN       LYS  27   3.090   8.203   6.327
  158    HA   LYS  27           HA       LYS  27   5.820   7.981   7.284
  159   1HB   LYS  27          1HB       LYS  27   3.505   5.992   7.378
  160   2HB   LYS  27          2HB       LYS  27   5.000   5.880   8.307
  161   1HG   LYS  27          1HG       LYS  27   2.987   8.153   8.544
  162   2HG   LYS  27          2HG       LYS  27   3.001   6.712   9.544
  163   1HD   LYS  27          1HD       LYS  27   5.325   7.293  10.328
  164   2HD   LYS  27          2HD       LYS  27   5.268   8.761   9.337
  165   1HE   LYS  27          2HE       LYS  27   4.765   9.344  11.627
  166   2HE   LYS  27          1HE       LYS  27   3.318   9.584  10.636
  167   1HZ   LYS  27          1HZ       LYS  27   3.860   7.249  12.342
  168   2HZ   LYS  27          2HZ       LYS  27   2.850   8.496  12.713
  169   3HZ   LYS  27          3HZ       LYS  27   2.492   7.497  11.455
  170    HA   PRO  28           HA       PRO  28   6.927   5.841   3.428
  171   1HB   PRO  28          1HB       PRO  28   9.250   4.896   5.136
  172   2HB   PRO  28          2HB       PRO  28   9.288   5.512   3.461
  173   1HG   PRO  28          1HG       PRO  28  10.055   7.117   5.512
  174   2HG   PRO  28          2HG       PRO  28   9.007   7.769   4.218
  175   1HD   PRO  28          2HD       PRO  28   8.170   6.785   6.962
  176   2HD   PRO  28          1HD       PRO  28   7.690   8.273   6.092
  177    H    VAL  29           H        VAL  29   6.543   3.698   2.805
  178    HA   VAL  29           HA       VAL  29   4.999   2.032   4.482
  179    HB   VAL  29           HB       VAL  29   6.346   1.823   1.826
  180   1HG1  VAL  29          2HG1      VAL  29   6.920  -0.437   2.705
  181   2HG1  VAL  29          1HG1      VAL  29   5.216  -0.684   3.141
  182   3HG1  VAL  29          3HG1      VAL  29   5.706  -0.479   1.447
  183   1HG2  VAL  29          1HG2      VAL  29   3.984   2.683   2.324
  184   2HG2  VAL  29          3HG2      VAL  29   4.067   1.400   1.088
  185   3HG2  VAL  29          2HG2      VAL  29   3.548   1.022   2.740
  186    H    LYS  30           HN       LYS  30   8.431   1.940   3.774
  187    HA   LYS  30           HA       LYS  30   9.791  -0.010   4.180
  188   1HB   LYS  30          2HB       LYS  30  10.394   2.321   4.833
  189   2HB   LYS  30          1HB       LYS  30   9.869   1.972   6.483
  190   1HG   LYS  30          2HG       LYS  30  12.238   1.734   6.453
  191   2HG   LYS  30          1HG       LYS  30  11.585   0.090   6.535
  192   1HD   LYS  30          2HD       LYS  30  11.998  -0.215   4.107
  193   2HD   LYS  30          1HD       LYS  30  12.505   1.475   3.963
  194   1HE   LYS  30          1HE       LYS  30  14.449   0.022   4.028
  195   2HE   LYS  30          2HE       LYS  30  14.417   0.978   5.524
  196   1HZ   LYS  30          2HZ       LYS  30  13.434  -0.958   6.598
  197   2HZ   LYS  30          1HZ       LYS  30  13.499  -1.796   5.180
  198   3HZ   LYS  30          3HZ       LYS  30  14.894  -1.333   5.923
  199    H    GLY  31           H        GLY  31   8.075  -1.575   4.531
  200   1HA   GLY  31          1HA       GLY  31   6.856  -3.125   5.653
  201   2HA   GLY  31          2HA       GLY  31   8.440  -3.437   6.366
  202    H    GLN  32           H        GLN  32   5.972  -0.885   6.845
  203    HA   GLN  32           HA       GLN  32   6.117  -0.291   9.422
  204   1HB   GLN  32          2HB       GLN  32   3.307  -1.013   8.573
  205   2HB   GLN  32          1HB       GLN  32   3.841   0.270   9.638
  206   1HG   GLN  32          1HG       GLN  32   4.099   0.189   6.614
  207   2HG   GLN  32          2HG       GLN  32   2.868   1.010   7.551
  208   1HE2  GLN  32          2HE2      GLN  32   5.023   3.820   6.917
  209   2HE2  GLN  32          1HE2      GLN  32   3.379   3.245   6.696
  210    H    GLY  33           H        GLY  33   4.092  -2.883   8.538
  211   1HA   GLY  33          2HA       GLY  33   5.049  -4.999  10.138
  212   2HA   GLY  33          1HA       GLY  33   3.751  -4.197  11.066
  213    H    ALA  34           H        ALA  34   3.739  -6.929   9.609
  214    HA   ALA  34           HA       ALA  34   2.244  -6.682   7.233
  215   1HB   ALA  34          3HB       ALA  34   3.349  -8.791   7.923
  216   2HB   ALA  34          1HB       ALA  34   2.143  -8.993   9.216
  217   3HB   ALA  34          2HB       ALA  34   1.644  -9.027   7.511
  218    H    GLU  35           HN       GLU  35   1.058  -6.958  10.575
  219    HA   GLU  35           HA       GLU  35  -1.707  -7.079   9.940
  220   1HB   GLU  35          1HB       GLU  35  -1.996  -6.250  12.257
  221   2HB   GLU  35          2HB       GLU  35  -0.999  -7.705  12.112
  222   1HG   GLU  35          1HG       GLU  35   1.038  -6.097  12.373
  223   2HG   GLU  35          2HG       GLU  35  -0.162  -4.872  12.836
  224    H    GLU  36           HN       GLU  36   0.346  -4.365  10.872
  225    HA   GLU  36           HA       GLU  36  -1.400  -2.202  10.636
  226   1HB   GLU  36          1HB       GLU  36   1.585  -2.421   9.927
  227   2HB   GLU  36          2HB       GLU  36   0.719  -0.913  10.085
  228   1HG   GLU  36          2HG       GLU  36   1.168  -2.970  12.298
  229   2HG   GLU  36          1HG       GLU  36   2.007  -1.436  12.086
  230    H    LEU  37           H        LEU  37   0.846  -3.449   8.181
  231    HA   LEU  37           HA       LEU  37   0.014  -1.816   6.032
  232   1HB   LEU  37          1HB       LEU  37   1.253  -4.589   6.147
  233   2HB   LEU  37          2HB       LEU  37   0.979  -3.743   4.626
  234    HG   LEU  37           HG       LEU  37   2.630  -2.467   6.839
  235   1HD1  LEU  37          2HD2      LEU  37   3.568  -4.253   4.553
  236   2HD1  LEU  37          3HD2      LEU  37   4.613  -3.310   5.635
  237   3HD1  LEU  37          1HD2      LEU  37   3.649  -4.643   6.283
  238   1HD2  LEU  37          1HD1      LEU  37   2.476  -2.037   3.830
  239   2HD2  LEU  37          2HD1      LEU  37   1.887  -0.942   5.103
  240   3HD2  LEU  37          3HD1      LEU  37   3.618  -1.245   4.923
  241    H    TYR  38           HN       TYR  38  -0.994  -5.267   6.625
  242    HA   TYR  38           HA       TYR  38  -2.909  -5.461   4.718
  243   1HB   TYR  38          2HB       TYR  38  -2.257  -7.327   6.092
  244   2HB   TYR  38          1HB       TYR  38  -3.013  -6.594   7.507
  245    HD1  TYR  38           HD1      TYR  38  -4.132  -7.184   3.921
  246    HD2  TYR  38           HE2      TYR  38  -4.941  -7.785   8.118
  247    HE1  TYR  38           HD2      TYR  38  -6.317  -8.164   3.358
  248    HE2  TYR  38           HE1      TYR  38  -7.127  -8.808   7.537
  249    HH   TYR  38           HH       TYR  38  -8.185  -9.288   4.162
  250    H    LYS  39           HN       LYS  39  -3.509  -4.184   7.998
  251    HA   LYS  39           HA       LYS  39  -6.271  -3.573   7.563
  252   1HB   LYS  39          1HB       LYS  39  -4.182  -2.716   9.567
  253   2HB   LYS  39          2HB       LYS  39  -5.627  -1.721   9.398
  254   1HG   LYS  39          2HG       LYS  39  -5.981  -3.313  11.158
  255   2HG   LYS  39          1HG       LYS  39  -7.099  -3.608   9.821
  256   1HD   LYS  39          1HD       LYS  39  -5.641  -5.492   9.045
  257   2HD   LYS  39          2HD       LYS  39  -4.550  -5.179  10.412
  258   1HE   LYS  39          1HE       LYS  39  -6.395  -5.642  12.002
  259   2HE   LYS  39          2HE       LYS  39  -7.495  -5.950  10.643
  260   1HZ   LYS  39          1HZ       LYS  39  -5.059  -7.475  11.243
  261   2HZ   LYS  39          3HZ       LYS  39  -6.602  -7.958  11.558
  262   3HZ   LYS  39          2HZ       LYS  39  -6.102  -7.769  10.000
  263    H    LYS  40           HN       LYS  40  -3.326  -1.631   6.904
  264    HA   LYS  40           HA       LYS  40  -4.900   0.693   6.062
  265   1HB   LYS  40          2HB       LYS  40  -1.968  -0.104   6.118
  266   2HB   LYS  40          1HB       LYS  40  -2.489   1.190   5.070
  267   1HG   LYS  40          1HG       LYS  40  -1.990   2.372   7.027
  268   2HG   LYS  40          2HG       LYS  40  -3.724   2.144   7.213
  269   1HD   LYS  40          1HD       LYS  40  -3.276   0.184   8.695
  270   2HD   LYS  40          2HD       LYS  40  -1.529   0.490   8.503
  271   1HE   LYS  40          2HE       LYS  40  -1.773   2.724   9.490
  272   2HE   LYS  40          1HE       LYS  40  -3.527   2.488   9.647
  273   1HZ   LYS  40          3HZ       LYS  40  -3.078   0.658  11.119
  274   2HZ   LYS  40          2HZ       LYS  40  -1.453   0.900  11.005
  275   3HZ   LYS  40          1HZ       LYS  40  -2.409   2.051  11.686
  276    H    MET  41           H        MET  41  -3.204  -1.939   4.075
  277    HA   MET  41           HA       MET  41  -4.157  -0.728   1.663
  278   1HB   MET  41          1HB       MET  41  -4.112  -3.240   0.822
  279   2HB   MET  41          2HB       MET  41  -2.716  -2.182   0.952
  280   1HG   MET  41          2HG       MET  41  -3.258  -3.929   3.284
  281   2HG   MET  41          1HG       MET  41  -2.638  -4.732   1.835
  282   1HE   MET  41          3HE       MET  41  -1.125  -3.833   0.320
  283   2HE   MET  41          2HE       MET  41  -0.163  -2.392   0.685
  284   3HE   MET  41          1HE       MET  41   0.519  -4.026   0.975
  285    H    LYS  42           HN       LYS  42  -5.732  -3.051   3.934
  286    HA   LYS  42           HA       LYS  42  -8.119  -3.310   2.389
  287   1HB   LYS  42          1HB       LYS  42  -7.539  -3.416   5.379
  288   2HB   LYS  42          2HB       LYS  42  -9.162  -3.658   4.756
  289   1HG   LYS  42          2HG       LYS  42  -6.825  -5.275   3.692
  290   2HG   LYS  42          1HG       LYS  42  -7.600  -5.724   5.201
  291   1HD   LYS  42          1HD       LYS  42  -9.083  -5.405   2.539
  292   2HD   LYS  42          2HD       LYS  42  -8.461  -6.937   3.144
  293   1HE   LYS  42          1HE       LYS  42 -10.668  -5.252   4.410
  294   2HE   LYS  42          2HE       LYS  42 -10.821  -6.808   3.594
  295   1HZ   LYS  42          2HZ       LYS  42  -9.453  -7.772   5.325
  296   2HZ   LYS  42          1HZ       LYS  42  -9.400  -6.323   6.111
  297   3HZ   LYS  42          3HZ       LYS  42 -10.838  -7.103   5.923
  298    H    GLY  43           H        GLY  43  -7.006  -0.941   4.802
  299   1HA   GLY  43          1HA       GLY  43  -8.918   0.957   5.283
  300   2HA   GLY  43          2HA       GLY  43  -7.263   1.239   4.916
  301    H    TYR  44           H        TYR  44  -6.574   1.042   2.674
  302    HA   TYR  44           HA       TYR  44  -7.829   3.127   1.187
  303   1HB   TYR  44          1HB       TYR  44  -5.673   1.106   0.459
  304   2HB   TYR  44          2HB       TYR  44  -6.173   2.413  -0.628
  305    HD1  TYR  44           HD2      TYR  44  -6.439   4.761   0.956
  306    HD2  TYR  44           HD1      TYR  44  -3.454   1.666   1.146
  307    HE1  TYR  44           HE2      TYR  44  -5.027   6.225   2.338
  308    HE2  TYR  44           HE1      TYR  44  -1.880   3.309   2.163
  309    HH   TYR  44           HH       TYR  44  -1.665   5.275   3.236
  310    H    ALA  45           H        ALA  45  -7.844  -0.434   0.624
  311    HA   ALA  45           HA       ALA  45  -9.429  -0.336  -1.713
  312   1HB   ALA  45          3HB       ALA  45  -8.266  -2.360  -0.891
  313   2HB   ALA  45          2HB       ALA  45  -9.416  -2.469   0.461
  314   3HB   ALA  45          1HB       ALA  45  -9.986  -2.666  -1.208
  315    H    ASP  46           HN       ASP  46 -10.424  -0.200   1.727
  316    HA   ASP  46           HA       ASP  46 -13.258  -0.386   1.131
  317   1HB   ASP  46          2HB       ASP  46 -12.282  -1.134   3.266
  318   2HB   ASP  46          1HB       ASP  46 -11.744   0.514   3.616
  319    H    GLY  47           H        GLY  47 -10.853   2.197   1.531
  320   1HA   GLY  47          1HA       GLY  47 -11.014   4.283   0.464
  321   2HA   GLY  47          2HA       GLY  47 -12.773   4.158   0.382
  322    H    SER  48           H        SER  48 -12.127   3.170   3.514
  323    HA   SER  48           HA       SER  48 -13.067   5.589   4.713
  324   1HB   SER  48          2HB       SER  48 -12.316   4.091   6.731
  325   2HB   SER  48          1HB       SER  48 -13.649   3.524   5.709
  326    HG   SER  48           HG       SER  48 -12.455   1.836   5.403
  327    H    TYR  49           H        TYR  49 -10.045   3.737   4.817
  328    HA   TYR  49           HA       TYR  49  -8.527   5.748   6.124
  329   1HB   TYR  49          2HB       TYR  49  -7.860   3.216   5.976
  330   2HB   TYR  49          1HB       TYR  49  -7.610   3.568   4.261
  331    HD1  TYR  49           HD2      TYR  49  -6.504   5.700   7.150
  332    HD2  TYR  49           HD1      TYR  49  -5.427   2.881   4.076
  333    HE1  TYR  49           HE2      TYR  49  -4.160   6.140   7.583
  334    HE2  TYR  49           HE1      TYR  49  -3.085   3.196   4.602
  335    HH   TYR  49           HH       TYR  49  -1.871   5.845   6.694
  336    H    GLY  50           H        GLY  50  -9.284   5.235   2.971
  337   1HA   GLY  50          2HA       GLY  50  -7.276   6.735   1.548
  338   2HA   GLY  50          1HA       GLY  50  -8.796   6.182   0.884
  339    H    GLY  51           H        GLY  51  -7.686   8.464   3.216
  340   1HA   GLY  51          1HA       GLY  51  -9.723  10.445   2.937
  341   2HA   GLY  51          2HA       GLY  51  -8.125  10.711   3.644
  342    H    GLU  52           HN       GLU  52 -10.131  11.629   1.186
  343    HA   GLU  52           HA       GLU  52  -9.965  12.660  -0.808
  344   1HB   GLU  52          1HB       GLU  52  -9.785  14.297   1.016
  345   2HB   GLU  52          2HB       GLU  52  -8.038  14.352   0.852
  346   1HG   GLU  52          1HG       GLU  52 -10.018  15.019  -1.395
  347   2HG   GLU  52          2HG       GLU  52  -9.396  16.211  -0.251
  348    H    ARG  53           HN       ARG  53  -6.560  13.485  -0.225
  349    HA   ARG  53           HA       ARG  53  -5.717  13.121  -2.831
  350   1HB   ARG  53          2HB       ARG  53  -3.471  13.202  -1.974
  351   2HB   ARG  53          1HB       ARG  53  -4.484  14.291  -1.023
  352   1HG   ARG  53          1HG       ARG  53  -4.628  12.415   0.746
  353   2HG   ARG  53          2HG       ARG  53  -3.402  11.545  -0.191
  354   1HD   ARG  53          2HD       ARG  53  -1.877  13.467   0.009
  355   2HD   ARG  53          1HD       ARG  53  -3.072  14.340   0.973
  356    HE   ARG  53           HE       ARG  53  -2.982  12.339   2.555
  357   1HH1  ARG  53          2HH2      ARG  53  -0.065  13.494   0.804
  358   2HH1  ARG  53          1HH2      ARG  53   0.990  12.898   2.070
  359   1HH2  ARG  53          1HH1      ARG  53  -1.471  11.697   4.183
  360   2HH2  ARG  53          2HH1      ARG  53   0.241  11.945   3.885
  361    H    LYS  54           HN       LYS  54  -5.981  10.745  -0.265
  362    HA   LYS  54           HA       LYS  54  -4.397   8.700  -1.541
  363   1HB   LYS  54          2HB       LYS  54  -6.356   8.568   0.756
  364   2HB   LYS  54          1HB       LYS  54  -5.112   7.368   0.350
  365   1HG   LYS  54          2HG       LYS  54  -3.418   9.303   0.624
  366   2HG   LYS  54          1HG       LYS  54  -4.759  10.246   1.300
  367   1HD   LYS  54          1HD       LYS  54  -5.081   8.429   3.030
  368   2HD   LYS  54          2HD       LYS  54  -3.521   7.775   2.450
  369   1HE   LYS  54          1HE       LYS  54  -2.390   9.852   2.998
  370   2HE   LYS  54          2HE       LYS  54  -3.918  10.560   3.577
  371   1HZ   LYS  54          3HZ       LYS  54  -2.633   8.166   4.697
  372   2HZ   LYS  54          2HZ       LYS  54  -2.588   9.671   5.366
  373   3HZ   LYS  54          1HZ       LYS  54  -4.020   8.865   5.236
  374    H    ALA  55           H        ALA  55  -7.512   9.830  -2.273
  375    HA   ALA  55           HA       ALA  55  -8.992   7.541  -2.871
  376   1HB   ALA  55          1HB       ALA  55  -8.812  10.138  -4.448
  377   2HB   ALA  55          2HB       ALA  55 -10.096   8.919  -4.603
  378   3HB   ALA  55          3HB       ALA  55  -9.893   9.797  -3.075
  379    H    MET  56           H        MET  56  -6.321   9.030  -4.711
  380    HA   MET  56           HA       MET  56  -6.455   7.485  -7.091
  381   1HB   MET  56          1HB       MET  56  -5.029   9.481  -6.735
  382   2HB   MET  56          2HB       MET  56  -4.044   8.591  -5.565
  383   1HG   MET  56          2HG       MET  56  -3.448   6.961  -7.401
  384   2HG   MET  56          1HG       MET  56  -4.317   7.995  -8.538
  385   1HE   MET  56          3HE       MET  56  -3.603  10.443  -9.092
  386   2HE   MET  56          1HE       MET  56  -3.353  10.990  -7.412
  387   3HE   MET  56          2HE       MET  56  -2.058  11.182  -8.611
  388    H    MET  57           H        MET  57  -4.858   6.929  -3.955
  389    HA   MET  57           HA       MET  57  -3.589   4.469  -4.635
  390   1HB   MET  57          2HB       MET  57  -3.193   6.184  -2.704
  391   2HB   MET  57          1HB       MET  57  -4.403   5.214  -1.823
  392   1HG   MET  57          1HG       MET  57  -2.985   3.196  -2.168
  393   2HG   MET  57          2HG       MET  57  -1.848   4.174  -3.098
  394   1HE   MET  57          3HE       MET  57  -3.255   6.249  -0.245
  395   2HE   MET  57          1HE       MET  57  -1.783   6.479   0.679
  396   3HE   MET  57          2HE       MET  57  -1.825   6.954  -1.030
  397    H    THR  58           H        THR  58  -6.665   5.298  -2.938
  398    HA   THR  58           HA       THR  58  -7.673   2.744  -2.454
  399    HB   THR  58           HB       THR  58  -9.072   5.308  -3.236
  400    HG1  THR  58           HG1      THR  58  -9.049   3.855  -0.836
  401   1HG2  THR  58          3HG2      THR  58 -10.367   2.652  -2.556
  402   2HG2  THR  58          2HG2      THR  58 -11.155   4.230  -2.343
  403   3HG2  THR  58          1HG2      THR  58 -10.659   3.697  -3.954
  404    H    ASN  59           H        ASN  59  -8.114   4.649  -5.529
  405    HA   ASN  59           HA       ASN  59  -9.432   2.471  -6.795
  406   1HB   ASN  59          1HB       ASN  59  -9.335   4.920  -7.540
  407   2HB   ASN  59          2HB       ASN  59  -7.813   4.510  -8.338
  408   1HD2  ASN  59          1HD2      ASN  59 -10.232   2.003 -10.212
  409   2HD2  ASN  59          2HD2      ASN  59  -9.145   1.567  -8.908
  410    H    ALA  60           H        ALA  60  -5.940   3.287  -6.575
  411    HA   ALA  60           HA       ALA  60  -5.054   1.369  -8.496
  412   1HB   ALA  60          3HB       ALA  60  -3.642   3.199  -7.625
  413   2HB   ALA  60          1HB       ALA  60  -3.567   2.395  -6.043
  414   3HB   ALA  60          2HB       ALA  60  -2.866   1.611  -7.472
  415    H    VAL  61           H        VAL  61  -5.247   1.095  -4.887
  416    HA   VAL  61           HA       VAL  61  -4.543  -1.673  -4.917
  417    HB   VAL  61           HB       VAL  61  -4.270  -0.146  -2.974
  418   1HG1  VAL  61          3HG1      VAL  61  -7.288  -0.534  -2.660
  419   2HG1  VAL  61          2HG1      VAL  61  -6.195   0.099  -1.427
  420   3HG1  VAL  61          1HG1      VAL  61  -6.425   0.988  -2.933
  421   1HG2  VAL  61          1HG2      VAL  61  -4.200  -2.652  -2.778
  422   2HG2  VAL  61          2HG2      VAL  61  -4.687  -1.805  -1.295
  423   3HG2  VAL  61          3HG2      VAL  61  -5.919  -2.581  -2.305
  424    H    LYS  62           HN       LYS  62  -7.669  -0.022  -5.389
  425    HA   LYS  62           HA       LYS  62  -9.355  -2.194  -4.815
  426   1HB   LYS  62          1HB       LYS  62 -10.122   0.139  -5.175
  427   2HB   LYS  62          2HB       LYS  62  -9.686   0.019  -6.878
  428   1HG   LYS  62          1HG       LYS  62 -12.093  -0.190  -6.521
  429   2HG   LYS  62          2HG       LYS  62 -11.414  -1.614  -7.300
  430   1HD   LYS  62          1HD       LYS  62 -13.098  -2.195  -5.606
  431   2HD   LYS  62          2HD       LYS  62 -11.527  -2.888  -5.204
  432   1HE   LYS  62          1HE       LYS  62 -11.132  -1.089  -3.544
  433   2HE   LYS  62          2HE       LYS  62 -12.641  -0.291  -4.017
  434   1HZ   LYS  62          1HZ       LYS  62 -12.415  -2.963  -2.822
  435   2HZ   LYS  62          3HZ       LYS  62 -12.842  -1.570  -2.045
  436   3HZ   LYS  62          2HZ       LYS  62 -13.822  -2.194  -3.221
  437    H    LYS  63           HN       LYS  63  -7.092  -1.781  -7.503
  438    HA   LYS  63           HA       LYS  63  -8.507  -3.492  -9.297
  439   1HB   LYS  63          2HB       LYS  63  -5.497  -3.118  -9.155
  440   2HB   LYS  63          1HB       LYS  63  -6.456  -3.715 -10.509
  441   1HG   LYS  63          2HG       LYS  63  -6.097  -0.902  -9.535
  442   2HG   LYS  63          1HG       LYS  63  -5.975  -1.573 -11.155
  443   1HD   LYS  63          2HD       LYS  63  -8.561  -1.905 -10.988
  444   2HD   LYS  63          1HD       LYS  63  -8.467  -0.853  -9.564
  445   1HE   LYS  63          1HE       LYS  63  -7.592  -0.164 -12.413
  446   2HE   LYS  63          2HE       LYS  63  -8.988   0.484 -11.543
  447   1HZ   LYS  63          3HZ       LYS  63  -7.400   1.386  -9.928
  448   2HZ   LYS  63          2HZ       LYS  63  -6.157   0.902 -10.891
  449   3HZ   LYS  63          1HZ       LYS  63  -7.228   2.028 -11.441
  450    H    ALA  64           H        ALA  64  -6.788  -4.127  -6.324
  451    HA   ALA  64           HA       ALA  64  -6.106  -6.939  -6.974
  452   1HB   ALA  64          3HB       ALA  64  -4.429  -5.336  -5.995
  453   2HB   ALA  64          2HB       ALA  64  -5.453  -5.218  -4.551
  454   3HB   ALA  64          1HB       ALA  64  -4.721  -6.763  -5.003
  455    H    SER  65           H        SER  65  -6.584  -8.507  -5.186
  456    HA   SER  65           HA       SER  65  -9.278  -8.048  -3.952
  457   1HB   SER  65          2HB       SER  65  -9.356  -9.668  -5.815
  458   2HB   SER  65          1HB       SER  65  -8.125 -10.662  -5.003
  459    HG   SER  65           HG       SER  65 -10.351 -11.282  -4.571
  460    H    ASP  66           HN       ASP  66  -9.586  -9.586  -2.058
  461    HA   ASP  66           HA       ASP  66  -7.987  -8.751   0.040
  462   1HB   ASP  66          1HB       ASP  66 -10.192  -9.744   0.369
  463   2HB   ASP  66          2HB       ASP  66  -9.579 -11.337  -0.116
  464    H    GLU  67           HN       GLU  67  -7.598 -11.844  -1.726
  465    HA   GLU  67           HA       GLU  67  -5.505 -12.881  -0.153
  466   1HB   GLU  67          2HB       GLU  67  -6.825 -14.076  -1.992
  467   2HB   GLU  67          1HB       GLU  67  -5.748 -13.276  -3.157
  468   1HG   GLU  67          1HG       GLU  67  -3.789 -14.308  -1.873
  469   2HG   GLU  67          2HG       GLU  67  -4.972 -15.185  -0.895
  470    H    GLU  68           HN       GLU  68  -5.370 -10.637  -2.937
  471    HA   GLU  68           HA       GLU  68  -2.542 -10.564  -3.180
  472   1HB   GLU  68          2HB       GLU  68  -4.764  -8.620  -3.946
  473   2HB   GLU  68          1HB       GLU  68  -3.138  -8.606  -4.470
  474   1HG   GLU  68          2HG       GLU  68  -5.215 -10.740  -5.100
  475   2HG   GLU  68          1HG       GLU  68  -4.597  -9.527  -6.210
  476    H    LEU  69           H        LEU  69  -5.047  -8.484  -1.656
  477    HA   LEU  69           HA       LEU  69  -3.404  -6.500  -0.550
  478   1HB   LEU  69          1HB       LEU  69  -5.808  -7.679   0.864
  479   2HB   LEU  69          2HB       LEU  69  -5.039  -6.120   1.150
  480    HG   LEU  69           HG       LEU  69  -6.615  -6.978  -1.299
  481   1HD1  LEU  69          3HD1      LEU  69  -7.872  -6.238   0.666
  482   2HD1  LEU  69          1HD1      LEU  69  -6.945  -4.710   0.678
  483   3HD1  LEU  69          2HD1      LEU  69  -8.021  -5.092  -0.687
  484   1HD2  LEU  69          1HD2      LEU  69  -5.069  -4.400  -0.907
  485   2HD2  LEU  69          3HD2      LEU  69  -4.718  -5.638  -2.141
  486   3HD2  LEU  69          2HD2      LEU  69  -6.242  -4.748  -2.203
  487    H    LYS  70           HN       LYS  70  -4.297  -9.635   0.979
  488    HA   LYS  70           HA       LYS  70  -2.767  -9.257   3.348
  489   1HB   LYS  70          2HB       LYS  70  -3.642 -11.774   1.871
  490   2HB   LYS  70          1HB       LYS  70  -2.826 -11.803   3.445
  491   1HG   LYS  70          2HG       LYS  70  -4.594 -10.417   4.433
  492   2HG   LYS  70          1HG       LYS  70  -5.469 -10.394   2.891
  493   1HD   LYS  70          2HD       LYS  70  -4.877 -12.855   4.601
  494   2HD   LYS  70          1HD       LYS  70  -6.424 -12.000   4.471
  495   1HE   LYS  70          1HE       LYS  70  -6.369 -12.487   1.967
  496   2HE   LYS  70          2HE       LYS  70  -5.005 -13.580   2.283
  497   1HZ   LYS  70          3HZ       LYS  70  -6.445 -14.783   3.787
  498   2HZ   LYS  70          1HZ       LYS  70  -7.700 -13.772   3.424
  499   3HZ   LYS  70          2HZ       LYS  70  -7.062 -14.743   2.258
  500    H    ALA  71           H        ALA  71  -1.965 -10.883   0.244
  501    HA   ALA  71           HA       ALA  71   0.701 -11.526   1.047
  502   1HB   ALA  71          1HB       ALA  71  -0.541 -12.655  -0.788
  503   2HB   ALA  71          3HB       ALA  71  -0.481 -11.157  -1.745
  504   3HB   ALA  71          2HB       ALA  71   1.025 -12.022  -1.350
  505    H    LEU  72           H        LEU  72  -0.659  -8.507  -0.253
  506    HA   LEU  72           HA       LEU  72   1.837  -7.491  -1.209
  507   1HB   LEU  72          1HB       LEU  72  -0.630  -6.918  -1.776
  508   2HB   LEU  72          2HB       LEU  72  -0.650  -5.923  -0.358
  509    HG   LEU  72           HG       LEU  72   0.935  -4.386  -1.326
  510   1HD1  LEU  72          3HD1      LEU  72   1.418  -6.485  -3.442
  511   2HD1  LEU  72          1HD1      LEU  72   1.925  -4.789  -3.618
  512   3HD1  LEU  72          2HD1      LEU  72   2.615  -5.773  -2.331
  513   1HD2  LEU  72          3HD2      LEU  72  -1.046  -5.384  -3.423
  514   2HD2  LEU  72          2HD2      LEU  72  -1.342  -4.154  -2.180
  515   3HD2  LEU  72          1HD2      LEU  72  -0.203  -3.840  -3.506
  516    H    ALA  73           H        ALA  73  -0.263  -7.006   1.602
  517    HA   ALA  73           HA       ALA  73   1.453  -5.474   3.219
  518   1HB   ALA  73          1HB       ALA  73  -0.869  -6.052   3.827
  519   2HB   ALA  73          2HB       ALA  73  -0.408  -7.734   4.110
  520   3HB   ALA  73          3HB       ALA  73   0.256  -6.462   5.141
  521    H    ASP  74           HN       ASP  74   1.238  -9.100   3.175
  522    HA   ASP  74           HA       ASP  74   3.358  -9.595   4.924
  523   1HB   ASP  74          1HB       ASP  74   1.784 -11.317   4.141
  524   2HB   ASP  74          2HB       ASP  74   2.480 -11.231   2.512
  525    H    TYR  75           H        TYR  75   3.517  -9.244   1.338
  526    HA   TYR  75           HA       TYR  75   6.287  -9.711   1.028
  527   1HB   TYR  75          1HB       TYR  75   4.637  -9.666  -0.759
  528   2HB   TYR  75          2HB       TYR  75   4.324  -7.962  -0.516
  529    HD1  TYR  75           HD2      TYR  75   6.871 -10.423  -1.673
  530    HD2  TYR  75           HD1      TYR  75   5.683  -6.278  -1.542
  531    HE1  TYR  75           HE2      TYR  75   8.541  -9.888  -3.417
  532    HE2  TYR  75           HE1      TYR  75   7.365  -5.749  -3.277
  533    HH   TYR  75           HH       TYR  75   9.508  -8.225  -4.697
  534    H    MET  76           H        MET  76   4.518  -6.609   1.226
  535    HA   MET  76           HA       MET  76   6.819  -4.996   1.258
  536   1HB   MET  76          1HB       MET  76   3.996  -4.415   2.206
  537   2HB   MET  76          2HB       MET  76   5.310  -3.230   2.218
  538   1HG   MET  76          1HG       MET  76   5.662  -3.963  -0.298
  539   2HG   MET  76          2HG       MET  76   4.004  -4.532  -0.183
  540   1HE   MET  76          2HE       MET  76   2.462  -2.689   1.412
  541   2HE   MET  76          1HE       MET  76   2.106  -1.203   0.486
  542   3HE   MET  76          3HE       MET  76   1.951  -2.789  -0.296
  543    H    SER  77           H        SER  77   5.283  -6.644   4.050
  544    HA   SER  77           HA       SER  77   6.539  -5.310   6.121
  545   1HB   SER  77          2HB       SER  77   6.084  -8.301   5.795
  546   2HB   SER  77          1HB       SER  77   6.360  -7.407   7.277
  547    HG   SER  77           HG       SER  77   4.176  -6.942   5.540
  548    H    LYS  78           HN       LYS  78   8.131  -7.146   3.565
  549    HA   LYS  78           HA       LYS  78  10.506  -7.701   5.244
  550   1HB   LYS  78          2HB       LYS  78   9.977  -8.395   2.340
  551   2HB   LYS  78          1HB       LYS  78  11.226  -9.053   3.411
  552   1HG   LYS  78          2HG       LYS  78   9.393 -10.001   4.870
  553   2HG   LYS  78          1HG       LYS  78   8.211  -9.438   3.673
  554   1HD   LYS  78          2HD       LYS  78   9.405 -10.810   1.919
  555   2HD   LYS  78          1HD       LYS  78  10.457 -11.442   3.196
  556   1HE   LYS  78          1HE       LYS  78   8.695 -13.057   2.810
  557   2HE   LYS  78          2HE       LYS  78   8.403 -12.311   4.390
  558   1HZ   LYS  78          3HZ       LYS  78   7.075 -11.593   1.867
  559   2HZ   LYS  78          1HZ       LYS  78   6.403 -12.473   3.083
  560   3HZ   LYS  78          2HZ       LYS  78   6.776 -10.891   3.326
  561    H    LEU  79           H        LEU  79   9.456  -4.846   3.560
  562    HA   LEU  79           HA       LEU  79  11.890  -4.326   2.177
  563   1HB   LEU  79          2HB       LEU  79   9.222  -2.985   2.801
  564   2HB   LEU  79          1HB       LEU  79  10.469  -2.304   1.877
  565    HG   LEU  79           HG       LEU  79   9.027  -4.895   1.237
  566   1HD1  LEU  79          1HD2      LEU  79   7.669  -2.807   0.931
  567   2HD1  LEU  79          3HD2      LEU  79   8.914  -2.178  -0.162
  568   3HD1  LEU  79          2HD2      LEU  79   7.989  -3.622  -0.617
  569   1HD2  LEU  79          1HD1      LEU  79  11.152  -3.523  -0.412
  570   2HD2  LEU  79          2HD1      LEU  79  11.196  -5.162   0.267
  571   3HD2  LEU  79          3HD1      LEU  79  10.063  -4.775  -1.027
  572    HHA  HEC   1           HHA      HEM   1   1.483   4.794   3.674
  573    HHB  HEC   1           HHB      HEM   1  -0.396  -0.211   0.204
  574    HHC  HEC   1           HHC      HEM   1   0.919   3.245  -5.061
  575    HHD  HEC   1           HHD      HEM   1   0.927   8.525  -1.399
  576   1HMA  HEC   1          1HMA      HEM   1  -0.963  -0.447   2.542
  577   2HMA  HEC   1          2HMA      HEM   1   0.756  -0.918   2.607
  578   3HMA  HEC   1          3HMA      HEM   1  -0.040  -0.185   4.020
  579   1HAA  HEC   1          1HAA      HEM   1   1.872   1.259   4.812
  580   2HAA  HEC   1          2HAA      HEM   1   2.235   2.957   4.649
  581   1HBA  HEC   1          1HBA      HEM   1  -0.277   3.371   5.198
  582   2HBA  HEC   1          2HBA      HEM   1  -0.301   1.657   5.650
  583   1HMB  HEC   1          1HMB      HEM   1   0.173  -1.608  -1.549
  584   2HMB  HEC   1          2HMB      HEM   1  -1.471  -1.278  -2.156
  585   3HMB  HEC   1          3HMB      HEM   1  -0.144  -1.674  -3.270
  586    HAB  HEC   1           HAB      HEM   1   0.564   1.298  -5.718
  587   1HBB  HEC   1          1HBB      HEM   1  -1.790   0.595  -5.455
  588   2HBB  HEC   1          2HBB      HEM   1  -0.847  -0.364  -6.614
  589   3HBB  HEC   1          3HBB      HEM   1  -1.235  -1.030  -5.026
  590   1HMC  HEC   1          1HMC      HEM   1   0.555   6.683  -6.471
  591   2HMC  HEC   1          2HMC      HEM   1   1.998   5.638  -6.413
  592   3HMC  HEC   1          3HMC      HEM   1   0.365   4.962  -6.326
  593    HAC  HEC   1           HAC      HEM   1   1.516   9.095  -3.408
  594   1HBC  HEC   1          1HBC      HEM   1   0.255   8.861  -5.561
  595   2HBC  HEC   1          2HBC      HEM   1   1.821   8.455  -6.318
  596   3HBC  HEC   1          3HBC      HEM   1   1.609  10.009  -5.524
  597   1HMD  HEC   1          1HMD      HEM   1   1.117   9.890   0.726
  598   2HMD  HEC   1          2HMD      HEM   1  -0.598   9.495   0.467
  599   3HMD  HEC   1          3HMD      HEM   1   0.006   9.773   2.099
  600   1HAD  HEC   1          1HAD      HEM   1   0.554   8.559   3.884
  601   2HAD  HEC   1          2HAD      HEM   1  -0.833   7.506   3.837
  602   1HBD  HEC   1          1HBD      HEM   1   0.342   5.777   5.116
  603   2HBD  HEC   1          2HBD      HEM   1   1.881   6.628   4.964
   
  No H/Q in entry =         603
  Start of MODEL   28
    1   1H    ALA   1          2H        ALA   1  -2.234 -14.745  -6.070
    2   2H    ALA   1          3H        ALA   1  -2.427 -13.488  -7.079
    3   3H    ALA   1          1H        ALA   1  -2.434 -15.035  -7.706
    4    HA   ALA   1           HA       ALA   1  -0.143 -15.293  -7.192
    5   1HB   ALA   1          3HB       ALA   1  -0.672 -14.009  -9.288
    6   2HB   ALA   1          2HB       ALA   1  -0.498 -12.497  -8.371
    7   3HB   ALA   1          1HB       ALA   1   0.891 -13.581  -8.584
    8    H    ASP   2           HN       ASP   2   1.754 -13.114  -6.740
    9    HA   ASP   2           HA       ASP   2   1.190 -12.664  -3.846
   10   1HB   ASP   2          1HB       ASP   2   3.027 -14.244  -4.330
   11   2HB   ASP   2          2HB       ASP   2   3.869 -12.969  -5.232
   12    H    GLY   3           H        GLY   3   1.202 -10.703  -3.094
   13   1HA   GLY   3          2HA       GLY   3   0.951  -8.344  -4.244
   14   2HA   GLY   3          1HA       GLY   3   1.733  -8.571  -2.670
   15    H    ALA   4           H        ALA   4   4.150  -9.891  -3.770
   16    HA   ALA   4           HA       ALA   4   5.810  -7.678  -4.115
   17   1HB   ALA   4          2HB       ALA   4   6.597  -9.983  -3.547
   18   2HB   ALA   4          1HB       ALA   4   6.221 -10.504  -5.203
   19   3HB   ALA   4          3HB       ALA   4   7.495  -9.298  -4.916
   20    H    ALA   5           H        ALA   5   3.991  -9.464  -6.596
   21    HA   ALA   5           HA       ALA   5   5.286  -8.083  -8.824
   22   1HB   ALA   5          2HB       ALA   5   2.604  -9.528  -8.616
   23   2HB   ALA   5          3HB       ALA   5   3.371  -8.965 -10.118
   24   3HB   ALA   5          1HB       ALA   5   4.146 -10.231  -9.145
   25    H    LEU   6           H        LEU   6   2.208  -7.706  -7.043
   26    HA   LEU   6           HA       LEU   6   1.044  -5.595  -8.435
   27   1HB   LEU   6          1HB       LEU   6   0.899  -6.378  -5.516
   28   2HB   LEU   6          2HB       LEU   6  -0.038  -5.078  -6.247
   29    HG   LEU   6           HG       LEU   6  -1.094  -6.546  -7.795
   30   1HD1  LEU   6          2HD2      LEU   6   0.444  -8.857  -6.561
   31   2HD1  LEU   6          3HD2      LEU   6  -1.004  -9.017  -7.575
   32   3HD1  LEU   6          1HD2      LEU   6   0.454  -8.333  -8.267
   33   1HD2  LEU   6          1HD1      LEU   6  -1.942  -6.147  -5.466
   34   2HD2  LEU   6          3HD1      LEU   6  -2.489  -7.689  -6.161
   35   3HD2  LEU   6          2HD1      LEU   6  -1.177  -7.659  -4.951
   36    H    TYR   7           H        TYR   7   3.384  -5.512  -5.781
   37    HA   TYR   7           HA       TYR   7   3.575  -2.962  -4.949
   38   1HB   TYR   7          2HB       TYR   7   5.098  -4.860  -4.392
   39   2HB   TYR   7          1HB       TYR   7   5.970  -4.581  -5.872
   40    HD1  TYR   7           HD1      TYR   7   5.097  -3.000  -2.604
   41    HD2  TYR   7           HD2      TYR   7   7.549  -2.760  -6.137
   42    HE1  TYR   7           HE1      TYR   7   6.246  -0.998  -1.678
   43    HE2  TYR   7           HE2      TYR   7   8.655  -0.750  -5.238
   44    HH   TYR   7           HH       TYR   7   8.382   1.012  -3.649
   45    H    LYS   8           HN       LYS   8   4.761  -4.090  -8.085
   46    HA   LYS   8           HA       LYS   8   6.231  -1.923  -8.969
   47   1HB   LYS   8          1HB       LYS   8   5.733  -2.589 -11.224
   48   2HB   LYS   8          2HB       LYS   8   5.981  -3.989 -10.188
   49   1HG   LYS   8          1HG       LYS   8   4.119  -4.814 -11.114
   50   2HG   LYS   8          2HG       LYS   8   3.269  -3.794  -9.988
   51   1HD   LYS   8          1HD       LYS   8   2.238  -3.423 -12.083
   52   2HD   LYS   8          2HD       LYS   8   3.153  -1.965 -11.728
   53   1HE   LYS   8          2HE       LYS   8   3.368  -2.600 -14.084
   54   2HE   LYS   8          1HE       LYS   8   4.946  -2.685 -13.299
   55   1HZ   LYS   8          3HZ       LYS   8   3.174  -4.971 -13.819
   56   2HZ   LYS   8          2HZ       LYS   8   4.511  -4.569 -14.695
   57   3HZ   LYS   8          1HZ       LYS   8   4.669  -5.048 -13.128
   58    H    SER   9           H        SER   9   2.698  -2.083  -8.752
   59    HA   SER   9           HA       SER   9   2.118   0.264 -10.274
   60   1HB   SER   9          1HB       SER   9   0.382  -0.847  -8.057
   61   2HB   SER   9          2HB       SER   9  -0.100  -0.133  -9.605
   62    HG   SER   9           HG       SER   9   0.947  -2.695  -9.017
   63    H    CYS  10           H        CYS  10   3.252  -0.186  -7.026
   64    HA   CYS  10           HA       CYS  10   2.202   2.344  -5.966
   65   1HB   CYS  10          2HB       CYS  10   4.062   0.400  -4.661
   66   2HB   CYS  10          1HB       CYS  10   2.937   1.478  -3.854
   67    H    ILE  11           H        ILE  11   5.010   1.163  -7.507
   68    HA   ILE  11           HA       ILE  11   7.084   2.736  -6.445
   69    HB   ILE  11           HB       ILE  11   6.533   1.831  -9.293
   70   1HG1  ILE  11          2HG1      ILE  11   8.259   0.712  -7.032
   71   2HG1  ILE  11          1HG1      ILE  11   6.749   0.016  -7.612
   72   1HG2  ILE  11          1HG2      ILE  11   9.145   2.919  -8.175
   73   2HG2  ILE  11          3HG2      ILE  11   8.958   2.125  -9.750
   74   3HG2  ILE  11          2HG2      ILE  11   8.151   3.639  -9.468
   75   1HD1  ILE  11          2HD1      ILE  11   7.868  -0.335  -9.863
   76   2HD1  ILE  11          1HD1      ILE  11   9.409   0.093  -9.076
   77   3HD1  ILE  11          3HD1      ILE  11   8.498  -1.305  -8.512
   78    H    GLY  12           H        GLY  12   8.050   4.749  -7.391
   79   1HA   GLY  12          2HA       GLY  12   7.850   6.909  -8.235
   80   2HA   GLY  12          1HA       GLY  12   6.164   6.619  -8.694
   81    H    CYS  13           H        CYS  13   4.888   5.812  -6.331
   82    HA   CYS  13           HA       CYS  13   5.109   8.297  -4.719
   83   1HB   CYS  13          2HB       CYS  13   3.192   5.972  -4.732
   84   2HB   CYS  13          1HB       CYS  13   3.317   7.115  -3.389
   85    H    HIS  14           HN       HIS  14   5.477   4.729  -4.378
   86    HA   HIS  14           HA       HIS  14   6.960   5.155  -1.850
   87   1HB   HIS  14          2HB       HIS  14   5.880   2.691  -3.259
   88   2HB   HIS  14          1HB       HIS  14   6.807   2.628  -1.766
   89    HD1  HIS  14           HD1      HIS  14   5.741   3.632   0.435
   90    HD2  HIS  14           HD2      HIS  14   3.300   3.893  -2.966
   91    HE1  HIS  14           HE1      HIS  14   3.438   4.122   1.238
   92    H    GLY  15           H        GLY  15   7.810   5.040  -5.106
   93   1HA   GLY  15          2HA       GLY  15   9.911   4.826  -6.091
   94   2HA   GLY  15          1HA       GLY  15  10.605   4.620  -4.467
   95    H    ALA  16           H        ALA  16  11.732   3.180  -6.396
   96    HA   ALA  16           HA       ALA  16  10.579   0.517  -6.682
   97   1HB   ALA  16          1HB       ALA  16  11.955   1.499  -8.451
   98   2HB   ALA  16          3HB       ALA  16  13.340   1.613  -7.342
   99   3HB   ALA  16          2HB       ALA  16  12.700   0.022  -7.809
  100    H    ASP  17           HN       ASP  17  10.256   0.451  -4.287
  101    HA   ASP  17           HA       ASP  17  10.564  -0.769  -2.424
  102   1HB   ASP  17          1HB       ASP  17  11.634  -2.533  -3.556
  103   2HB   ASP  17          2HB       ASP  17  13.199  -1.694  -3.619
  104    H    GLY  18           H        GLY  18  10.481   0.866  -1.070
  105   1HA   GLY  18          2HA       GLY  18  12.598   1.474   0.613
  106   2HA   GLY  18          1HA       GLY  18  12.648   2.756  -0.610
  107    H    SER  19           H        SER  19   9.762   2.841  -1.013
  108    HA   SER  19           HA       SER  19   7.978   3.922  -0.354
  109   1HB   SER  19          1HB       SER  19   7.748   2.134   1.218
  110   2HB   SER  19          2HB       SER  19   8.736   3.060   2.366
  111    HG   SER  19           HG       SER  19   7.147   4.762   2.163
  112    H    LYS  20           HN       LYS  20   9.819   5.463  -1.103
  113    HA   LYS  20           HA       LYS  20  10.807   7.468   0.659
  114   1HB   LYS  20          1HB       LYS  20  10.885   8.866  -1.434
  115   2HB   LYS  20          2HB       LYS  20  11.683   7.300  -1.578
  116   1HG   LYS  20          1HG       LYS  20  10.136   6.417  -2.999
  117   2HG   LYS  20          2HG       LYS  20   8.800   7.405  -2.414
  118   1HD   LYS  20          2HD       LYS  20  11.129   8.547  -4.011
  119   2HD   LYS  20          1HD       LYS  20   9.670   7.902  -4.777
  120   1HE   LYS  20          2HE       LYS  20   9.609  10.170  -2.730
  121   2HE   LYS  20          1HE       LYS  20   9.635  10.394  -4.483
  122   1HZ   LYS  20          3HZ       LYS  20   7.561   8.891  -3.049
  123   2HZ   LYS  20          2HZ       LYS  20   7.441  10.456  -3.531
  124   3HZ   LYS  20          1HZ       LYS  20   7.592   9.245  -4.655
  125    H    ALA  21           H        ALA  21  10.031   9.782   0.682
  126    HA   ALA  21           HA       ALA  21   7.434   9.982   1.781
  127   1HB   ALA  21          2HB       ALA  21   9.234  12.142   0.608
  128   2HB   ALA  21          1HB       ALA  21   7.810  12.426   1.630
  129   3HB   ALA  21          3HB       ALA  21   9.219  11.572   2.293
  130    H    ALA  22           H        ALA  22   5.622   9.572   0.658
  131    HA   ALA  22           HA       ALA  22   5.343  10.129  -2.214
  132   1HB   ALA  22          1HB       ALA  22   4.503   8.044  -1.184
  133   2HB   ALA  22          2HB       ALA  22   3.395   8.982  -0.179
  134   3HB   ALA  22          3HB       ALA  22   3.218   8.982  -1.954
  135    H    MET  23           H        MET  23   2.338  10.680  -1.177
  136    HA   MET  23           HA       MET  23   2.521  13.575  -1.527
  137   1HB   MET  23          1HB       MET  23   0.151  11.767  -0.900
  138   2HB   MET  23          2HB       MET  23   0.073  13.500  -1.258
  139   1HG   MET  23          2HG       MET  23   1.188  13.039  -3.475
  140   2HG   MET  23          1HG       MET  23   1.081  11.316  -3.118
  141   1HE   MET  23          1HE       MET  23  -1.276  14.503  -2.993
  142   2HE   MET  23          3HE       MET  23  -0.620  14.375  -4.644
  143   3HE   MET  23          2HE       MET  23  -2.351  14.098  -4.351
  144    H    GLY  24           H        GLY  24   4.095  13.557   0.348
  145   1HA   GLY  24          2HA       GLY  24   4.002  15.094   2.307
  146   2HA   GLY  24          1HA       GLY  24   2.713  14.068   2.964
  147    H    SER  25           H        SER  25   4.648  14.232   4.678
  148    HA   SER  25           HA       SER  25   6.888  12.490   4.395
  149   1HB   SER  25          2HB       SER  25   5.515  13.445   6.928
  150   2HB   SER  25          1HB       SER  25   7.227  13.035   6.724
  151    HG   SER  25           HG       SER  25   7.354  14.843   5.270
  152    H    ALA  26           H        ALA  26   5.256  10.808   3.457
  153    HA   ALA  26           HA       ALA  26   3.515   9.295   5.021
  154   1HB   ALA  26          3HB       ALA  26   3.620   9.193   2.567
  155   2HB   ALA  26          2HB       ALA  26   5.233   8.448   2.648
  156   3HB   ALA  26          1HB       ALA  26   3.823   7.563   3.245
  157    H    LYS  27           HN       LYS  27   3.700   7.538   6.462
  158    HA   LYS  27           HA       LYS  27   6.020   6.803   7.768
  159   1HB   LYS  27          2HB       LYS  27   3.275   5.647   7.115
  160   2HB   LYS  27          1HB       LYS  27   4.424   4.721   8.023
  161   1HG   LYS  27          1HG       LYS  27   4.471   6.291   9.831
  162   2HG   LYS  27          2HG       LYS  27   3.637   7.535   8.865
  163   1HD   LYS  27          2HD       LYS  27   1.635   6.057   8.721
  164   2HD   LYS  27          1HD       LYS  27   2.433   4.875   9.773
  165   1HE   LYS  27          1HE       LYS  27   2.499   6.567  11.594
  166   2HE   LYS  27          2HE       LYS  27   1.798   7.779  10.499
  167   1HZ   LYS  27          2HZ       LYS  27  -0.143   6.413  10.311
  168   2HZ   LYS  27          1HZ       LYS  27   0.489   5.298  11.348
  169   3HZ   LYS  27          3HZ       LYS  27   0.138   6.817  11.885
  170    HA   PRO  28           HA       PRO  28   7.631   4.492   4.325
  171   1HB   PRO  28          2HB       PRO  28   9.587   2.925   5.514
  172   2HB   PRO  28          1HB       PRO  28   9.763   4.685   5.247
  173   1HG   PRO  28          1HG       PRO  28   8.853   3.278   7.771
  174   2HG   PRO  28          2HG       PRO  28  10.086   4.563   7.624
  175   1HD   PRO  28          2HD       PRO  28   7.508   5.101   8.342
  176   2HD   PRO  28          1HD       PRO  28   8.414   6.231   7.286
  177    H    VAL  29           H        VAL  29   6.478   2.947   3.403
  178    HA   VAL  29           HA       VAL  29   5.008   0.940   4.785
  179    HB   VAL  29           HB       VAL  29   5.714   1.542   1.902
  180   1HG1  VAL  29          1HG1      VAL  29   4.285  -0.947   2.862
  181   2HG1  VAL  29          3HG1      VAL  29   4.185  -0.247   1.228
  182   3HG1  VAL  29          2HG1      VAL  29   5.738  -0.850   1.826
  183   1HG2  VAL  29          1HG2      VAL  29   3.931   2.792   3.124
  184   2HG2  VAL  29          2HG2      VAL  29   3.265   1.790   1.804
  185   3HG2  VAL  29          3HG2      VAL  29   3.145   1.236   3.483
  186    H    LYS  30           HN       LYS  30   8.151   1.020   3.069
  187    HA   LYS  30           HA       LYS  30   8.917  -1.630   3.051
  188   1HB   LYS  30          1HB       LYS  30  10.261  -0.038   1.967
  189   2HB   LYS  30          2HB       LYS  30  10.453   0.938   3.434
  190   1HG   LYS  30          1HG       LYS  30  11.838  -0.797   4.475
  191   2HG   LYS  30          2HG       LYS  30  11.512  -1.913   3.136
  192   1HD   LYS  30          2HD       LYS  30  12.865  -0.663   1.643
  193   2HD   LYS  30          1HD       LYS  30  12.875   0.765   2.717
  194   1HE   LYS  30          1HE       LYS  30  15.026  -0.557   2.718
  195   2HE   LYS  30          2HE       LYS  30  14.296  -0.291   4.311
  196   1HZ   LYS  30          2HZ       LYS  30  14.037  -2.785   2.757
  197   2HZ   LYS  30          3HZ       LYS  30  15.050  -2.539   4.031
  198   3HZ   LYS  30          1HZ       LYS  30  13.418  -2.510   4.233
  199    H    GLY  31           H        GLY  31   8.610  -2.980   4.753
  200   1HA   GLY  31          2HA       GLY  31   9.212  -4.038   6.625
  201   2HA   GLY  31          1HA       GLY  31  10.326  -2.736   7.036
  202    H    GLN  32           H        GLN  32   7.000  -1.500   6.749
  203    HA   GLN  32           HA       GLN  32   6.954  -1.405   9.721
  204   1HB   GLN  32          2HB       GLN  32   4.967  -0.130   9.662
  205   2HB   GLN  32          1HB       GLN  32   6.240   0.609   8.687
  206   1HG   GLN  32          2HG       GLN  32   5.223  -0.112   6.683
  207   2HG   GLN  32          1HG       GLN  32   4.090  -1.132   7.551
  208   1HE2  GLN  32          1HE2      GLN  32   3.302   2.904   6.936
  209   2HE2  GLN  32          2HE2      GLN  32   4.963   2.282   6.813
  210    H    GLY  33           H        GLY  33   4.250  -2.034  10.348
  211   1HA   GLY  33          1HA       GLY  33   4.835  -4.915  10.462
  212   2HA   GLY  33          2HA       GLY  33   3.508  -4.138  11.282
  213    H    ALA  34           H        ALA  34   4.010  -6.443   9.177
  214    HA   ALA  34           HA       ALA  34   2.295  -6.401   7.120
  215   1HB   ALA  34          2HB       ALA  34   3.524  -8.366   7.947
  216   2HB   ALA  34          3HB       ALA  34   2.407  -8.495   9.322
  217   3HB   ALA  34          1HB       ALA  34   1.809  -8.759   7.660
  218    H    GLU  35           HN       GLU  35   1.142  -6.707  10.570
  219    HA   GLU  35           HA       GLU  35  -1.583  -7.000  10.003
  220   1HB   GLU  35          1HB       GLU  35  -0.001  -5.821  12.350
  221   2HB   GLU  35          2HB       GLU  35  -1.717  -6.187  12.357
  222   1HG   GLU  35          2HG       GLU  35  -1.270  -8.572  11.920
  223   2HG   GLU  35          1HG       GLU  35   0.471  -8.258  11.884
  224    H    GLU  36           HN       GLU  36   0.416  -4.106  10.696
  225    HA   GLU  36           HA       GLU  36  -1.608  -2.123  10.664
  226   1HB   GLU  36          1HB       GLU  36   1.332  -1.885   9.803
  227   2HB   GLU  36          2HB       GLU  36   0.280  -0.585  10.260
  228   1HG   GLU  36          2HG       GLU  36   0.107  -1.515  12.558
  229   2HG   GLU  36          1HG       GLU  36   1.238  -2.805  12.114
  230    H    LEU  37           H        LEU  37   0.683  -3.246   8.201
  231    HA   LEU  37           HA       LEU  37  -0.207  -1.700   6.034
  232   1HB   LEU  37          1HB       LEU  37   1.170  -4.400   6.194
  233   2HB   LEU  37          2HB       LEU  37   0.899  -3.539   4.675
  234    HG   LEU  37           HG       LEU  37   2.398  -2.359   7.043
  235   1HD1  LEU  37          1HD2      LEU  37   3.505  -3.816   4.616
  236   2HD1  LEU  37          2HD2      LEU  37   4.486  -2.917   5.794
  237   3HD1  LEU  37          3HD2      LEU  37   3.578  -4.343   6.310
  238   1HD2  LEU  37          1HD1      LEU  37   2.124  -1.540   4.123
  239   2HD2  LEU  37          2HD1      LEU  37   1.683  -0.610   5.570
  240   3HD2  LEU  37          3HD1      LEU  37   3.381  -0.895   5.187
  241    H    TYR  38           HN       TYR  38  -1.222  -5.042   6.938
  242    HA   TYR  38           HA       TYR  38  -2.897  -5.420   4.717
  243   1HB   TYR  38          1HB       TYR  38  -2.229  -7.093   6.510
  244   2HB   TYR  38          2HB       TYR  38  -3.408  -6.424   7.557
  245    HD1  TYR  38           HD1      TYR  38  -4.146  -6.926   3.876
  246    HD2  TYR  38           HE2      TYR  38  -4.591  -8.484   7.887
  247    HE1  TYR  38           HD2      TYR  38  -5.822  -8.514   3.074
  248    HE2  TYR  38           HE1      TYR  38  -6.317 -10.056   7.058
  249    HH   TYR  38           HH       TYR  38  -7.385 -10.178   3.644
  250    H    LYS  39           HN       LYS  39  -3.733  -4.455   7.974
  251    HA   LYS  39           HA       LYS  39  -6.455  -3.830   7.451
  252   1HB   LYS  39          1HB       LYS  39  -4.559  -2.672   9.544
  253   2HB   LYS  39          2HB       LYS  39  -6.284  -2.346   9.548
  254   1HG   LYS  39          1HG       LYS  39  -4.943  -5.066   9.850
  255   2HG   LYS  39          2HG       LYS  39  -5.712  -4.125  11.121
  256   1HD   LYS  39          1HD       LYS  39  -7.099  -5.527   8.782
  257   2HD   LYS  39          2HD       LYS  39  -7.124  -5.947  10.485
  258   1HE   LYS  39          1HE       LYS  39  -9.178  -4.923  10.245
  259   2HE   LYS  39          2HE       LYS  39  -8.195  -3.604  10.894
  260   1HZ   LYS  39          1HZ       LYS  39  -8.875  -4.053   8.060
  261   2HZ   LYS  39          3HZ       LYS  39  -9.574  -2.942   9.052
  262   3HZ   LYS  39          2HZ       LYS  39  -7.994  -2.785   8.628
  263    H    LYS  40           HN       LYS  40  -3.669  -1.493   7.382
  264    HA   LYS  40           HA       LYS  40  -5.301   0.699   6.668
  265   1HB   LYS  40          1HB       LYS  40  -2.329   0.064   6.493
  266   2HB   LYS  40          2HB       LYS  40  -3.054   1.613   6.120
  267   1HG   LYS  40          1HG       LYS  40  -4.005   1.797   8.398
  268   2HG   LYS  40          2HG       LYS  40  -3.304   0.232   8.837
  269   1HD   LYS  40          2HD       LYS  40  -1.021   1.146   8.268
  270   2HD   LYS  40          1HD       LYS  40  -1.813   2.699   7.929
  271   1HE   LYS  40          1HE       LYS  40  -2.572   2.865  10.263
  272   2HE   LYS  40          2HE       LYS  40  -1.780   1.318  10.637
  273   1HZ   LYS  40          2HZ       LYS  40  -0.430   3.731   9.636
  274   2HZ   LYS  40          1HZ       LYS  40  -0.423   3.211  11.206
  275   3HZ   LYS  40          3HZ       LYS  40   0.303   2.311  10.029
  276    H    MET  41           H        MET  41  -3.431  -1.688   4.678
  277    HA   MET  41           HA       MET  41  -3.896  -0.238   2.257
  278   1HB   MET  41          1HB       MET  41  -2.931  -1.864   1.093
  279   2HB   MET  41          2HB       MET  41  -2.027  -1.891   2.599
  280   1HG   MET  41          1HG       MET  41  -2.222  -4.219   2.119
  281   2HG   MET  41          2HG       MET  41  -3.704  -3.949   3.076
  282   1HE   MET  41          3HE       MET  41  -2.259  -3.193  -0.482
  283   2HE   MET  41          1HE       MET  41  -1.981  -4.884  -0.070
  284   3HE   MET  41          2HE       MET  41  -3.052  -4.467  -1.424
  285    H    LYS  42           HN       LYS  42  -5.673  -2.843   3.937
  286    HA   LYS  42           HA       LYS  42  -7.797  -3.089   2.020
  287   1HB   LYS  42          1HB       LYS  42  -7.671  -3.478   5.041
  288   2HB   LYS  42          2HB       LYS  42  -9.167  -3.655   4.112
  289   1HG   LYS  42          1HG       LYS  42  -8.251  -5.426   2.772
  290   2HG   LYS  42          2HG       LYS  42  -6.634  -5.204   3.460
  291   1HD   LYS  42          1HD       LYS  42  -7.836  -7.152   4.397
  292   2HD   LYS  42          2HD       LYS  42  -7.392  -5.973   5.645
  293   1HE   LYS  42          1HE       LYS  42  -9.719  -5.172   5.734
  294   2HE   LYS  42          2HE       LYS  42 -10.150  -6.173   4.331
  295   1HZ   LYS  42          2HZ       LYS  42  -9.668  -8.103   5.644
  296   2HZ   LYS  42          3HZ       LYS  42  -9.261  -7.175   6.943
  297   3HZ   LYS  42          1HZ       LYS  42 -10.810  -7.172   6.381
  298    H    GLY  43           H        GLY  43  -7.445  -0.995   4.937
  299   1HA   GLY  43          2HA       GLY  43  -9.813   0.439   4.788
  300   2HA   GLY  43          1HA       GLY  43  -8.282   1.053   5.424
  301    H    TYR  44           H        TYR  44  -6.700   1.152   3.145
  302    HA   TYR  44           HA       TYR  44  -7.542   3.493   1.803
  303   1HB   TYR  44          2HB       TYR  44  -5.360   1.419   1.377
  304   2HB   TYR  44          1HB       TYR  44  -5.663   2.638   0.174
  305    HD1  TYR  44           HD2      TYR  44  -6.098   5.142   1.598
  306    HD2  TYR  44           HD1      TYR  44  -3.224   2.000   2.280
  307    HE1  TYR  44           HE2      TYR  44  -4.675   6.710   2.858
  308    HE2  TYR  44           HE1      TYR  44  -1.706   3.655   3.315
  309    HH   TYR  44           HH       TYR  44  -1.438   5.807   4.057
  310    H    ALA  45           H        ALA  45  -7.410   0.049   0.653
  311    HA   ALA  45           HA       ALA  45  -8.571   0.460  -1.862
  312   1HB   ALA  45          3HB       ALA  45  -7.650  -1.736  -0.977
  313   2HB   ALA  45          2HB       ALA  45  -9.125  -1.914  -0.018
  314   3HB   ALA  45          1HB       ALA  45  -9.226  -1.879  -1.781
  315    H    ASP  46           HN       ASP  46 -10.198  -0.032   1.256
  316    HA   ASP  46           HA       ASP  46 -12.890   0.087   0.263
  317   1HB   ASP  46          2HB       ASP  46 -11.791   0.654   3.049
  318   2HB   ASP  46          1HB       ASP  46 -13.484   0.344   2.648
  319    H    GLY  47           H        GLY  47 -10.537   2.596   0.689
  320   1HA   GLY  47          1HA       GLY  47 -10.677   4.851   0.484
  321   2HA   GLY  47          2HA       GLY  47 -12.364   4.679  -0.034
  322    H    SER  48           H        SER  48 -11.162   3.387   3.059
  323    HA   SER  48           HA       SER  48 -12.878   5.339   4.545
  324   1HB   SER  48          1HB       SER  48 -12.735   3.606   6.335
  325   2HB   SER  48          2HB       SER  48 -13.532   3.050   4.849
  326    HG   SER  48           HG       SER  48 -12.029   1.503   5.547
  327    H    TYR  49           H        TYR  49  -9.810   3.543   4.786
  328    HA   TYR  49           HA       TYR  49  -8.695   5.388   6.754
  329   1HB   TYR  49          2HB       TYR  49  -8.115   2.956   6.639
  330   2HB   TYR  49          1HB       TYR  49  -7.322   3.245   5.096
  331    HD1  TYR  49           HD1      TYR  49  -7.263   4.567   8.629
  332    HD2  TYR  49           HD2      TYR  49  -5.000   3.586   5.094
  333    HE1  TYR  49           HE1      TYR  49  -5.193   5.368   9.725
  334    HE2  TYR  49           HE2      TYR  49  -2.941   4.412   6.181
  335    HH   TYR  49           HH       TYR  49  -1.990   5.269   8.133
  336    H    GLY  50           H        GLY  50  -9.340   7.274   5.076
  337   1HA   GLY  50          2HA       GLY  50  -7.014   8.586   4.315
  338   2HA   GLY  50          1HA       GLY  50  -7.467   7.619   2.890
  339    H    GLY  51           H        GLY  51  -7.496   9.934   2.047
  340   1HA   GLY  51          1HA       GLY  51 -10.140  10.680   1.434
  341   2HA   GLY  51          2HA       GLY  51  -9.472  11.812   2.638
  342    H    GLU  52           HN       GLU  52 -10.044  12.706   0.124
  343    HA   GLU  52           HA       GLU  52  -9.295  13.373  -1.937
  344   1HB   GLU  52          1HB       GLU  52  -7.404  14.889  -0.099
  345   2HB   GLU  52          2HB       GLU  52  -8.046  15.385  -1.665
  346   1HG   GLU  52          1HG       GLU  52  -9.317  16.552  -0.066
  347   2HG   GLU  52          2HG       GLU  52 -10.380  15.230  -0.560
  348    H    ARG  53           HN       ARG  53  -5.990  13.809  -0.766
  349    HA   ARG  53           HA       ARG  53  -4.681  13.054  -3.023
  350   1HB   ARG  53          1HB       ARG  53  -2.742  12.991  -1.544
  351   2HB   ARG  53          2HB       ARG  53  -3.810  14.317  -1.140
  352   1HG   ARG  53          1HG       ARG  53  -4.743  12.399   0.607
  353   2HG   ARG  53          2HG       ARG  53  -3.095  11.832   0.403
  354   1HD   ARG  53          2HD       ARG  53  -3.287  13.365   2.346
  355   2HD   ARG  53          1HD       ARG  53  -2.233  14.033   1.102
  356    HE   ARG  53           HE       ARG  53  -3.617  15.820   0.944
  357   1HH1  ARG  53          2HH1      ARG  53  -5.618  13.169   2.251
  358   2HH1  ARG  53          1HH1      ARG  53  -6.994  14.219   2.506
  359   1HH2  ARG  53          2HH2      ARG  53  -5.451  17.131   1.339
  360   2HH2  ARG  53          1HH2      ARG  53  -6.914  16.401   1.971
  361    H    LYS  54           HN       LYS  54  -5.822  10.915  -0.438
  362    HA   LYS  54           HA       LYS  54  -4.169   8.659  -1.131
  363   1HB   LYS  54          2HB       LYS  54  -6.817   8.738   0.351
  364   2HB   LYS  54          1HB       LYS  54  -5.612   7.449   0.407
  365   1HG   LYS  54          1HG       LYS  54  -5.219  10.306   1.466
  366   2HG   LYS  54          2HG       LYS  54  -5.540   8.849   2.373
  367   1HD   LYS  54          1HD       LYS  54  -3.381   7.899   1.364
  368   2HD   LYS  54          2HD       LYS  54  -3.026   9.514   0.770
  369   1HE   LYS  54          2HE       LYS  54  -3.466   8.715   3.697
  370   2HE   LYS  54          1HE       LYS  54  -1.904   8.991   2.923
  371   1HZ   LYS  54          3HZ       LYS  54  -4.007  11.010   3.238
  372   2HZ   LYS  54          1HZ       LYS  54  -2.637  10.888   4.144
  373   3HZ   LYS  54          2HZ       LYS  54  -2.529  11.247   2.541
  374    H    ALA  55           H        ALA  55  -7.168   9.900  -2.386
  375    HA   ALA  55           HA       ALA  55  -8.547   7.779  -3.393
  376   1HB   ALA  55          3HB       ALA  55  -9.216  10.096  -3.752
  377   2HB   ALA  55          2HB       ALA  55  -7.898  10.323  -4.926
  378   3HB   ALA  55          1HB       ALA  55  -9.230   9.204  -5.284
  379    H    MET  56           H        MET  56  -5.574   9.081  -4.937
  380    HA   MET  56           HA       MET  56  -5.604   7.400  -7.227
  381   1HB   MET  56          2HB       MET  56  -4.188   9.395  -7.016
  382   2HB   MET  56          1HB       MET  56  -3.285   8.657  -5.684
  383   1HG   MET  56          2HG       MET  56  -2.037   8.539  -7.784
  384   2HG   MET  56          1HG       MET  56  -2.423   6.920  -7.204
  385   1HE   MET  56          3HE       MET  56  -1.292   7.262 -10.019
  386   2HE   MET  56          1HE       MET  56  -1.900   5.706  -9.394
  387   3HE   MET  56          2HE       MET  56  -2.411   6.284 -10.998
  388    H    MET  57           H        MET  57  -4.093   6.991  -4.011
  389    HA   MET  57           HA       MET  57  -2.866   4.450  -4.534
  390   1HB   MET  57          2HB       MET  57  -2.078   5.850  -2.760
  391   2HB   MET  57          1HB       MET  57  -3.662   5.866  -1.973
  392   1HG   MET  57          1HG       MET  57  -3.521   3.563  -1.370
  393   2HG   MET  57          2HG       MET  57  -2.111   3.290  -2.396
  394   1HE   MET  57          2HE       MET  57  -3.216   5.901   0.308
  395   2HE   MET  57          1HE       MET  57  -1.682   6.183   1.185
  396   3HE   MET  57          3HE       MET  57  -1.858   6.720  -0.494
  397    H    THR  58           H        THR  58  -5.962   5.434  -2.960
  398    HA   THR  58           HA       THR  58  -7.055   2.962  -2.346
  399    HB   THR  58           HB       THR  58  -8.309   5.531  -3.343
  400    HG1  THR  58           HG1      THR  58  -8.323   4.349  -0.798
  401   1HG2  THR  58          2HG2      THR  58  -9.734   3.025  -2.437
  402   2HG2  THR  58          3HG2      THR  58 -10.429   4.651  -2.264
  403   3HG2  THR  58          1HG2      THR  58 -10.024   4.036  -3.867
  404    H    ASN  59           H        ASN  59  -7.365   4.691  -5.537
  405    HA   ASN  59           HA       ASN  59  -8.750   2.527  -6.742
  406   1HB   ASN  59          2HB       ASN  59  -8.568   4.886  -7.614
  407   2HB   ASN  59          1HB       ASN  59  -7.003   4.431  -8.297
  408   1HD2  ASN  59          1HD2      ASN  59  -9.299   1.847 -10.214
  409   2HD2  ASN  59          2HD2      ASN  59  -8.310   1.449  -8.825
  410    H    ALA  60           H        ALA  60  -5.234   3.305  -6.550
  411    HA   ALA  60           HA       ALA  60  -4.347   1.318  -8.371
  412   1HB   ALA  60          2HB       ALA  60  -2.947   3.189  -7.565
  413   2HB   ALA  60          1HB       ALA  60  -2.872   2.441  -5.954
  414   3HB   ALA  60          3HB       ALA  60  -2.156   1.615  -7.349
  415    H    VAL  61           H        VAL  61  -4.812   1.160  -4.811
  416    HA   VAL  61           HA       VAL  61  -3.853  -1.555  -4.701
  417    HB   VAL  61           HB       VAL  61  -3.530   0.055  -2.888
  418   1HG1  VAL  61          2HG1      VAL  61  -5.761   1.147  -2.847
  419   2HG1  VAL  61          3HG1      VAL  61  -6.478  -0.357  -2.282
  420   3HG1  VAL  61          1HG1      VAL  61  -5.308   0.508  -1.266
  421   1HG2  VAL  61          1HG2      VAL  61  -3.391  -2.393  -2.540
  422   2HG2  VAL  61          2HG2      VAL  61  -3.909  -1.515  -1.082
  423   3HG2  VAL  61          3HG2      VAL  61  -5.095  -2.418  -2.039
  424    H    LYS  62           HN       LYS  62  -7.268  -0.171  -4.700
  425    HA   LYS  62           HA       LYS  62  -8.458  -2.562  -3.985
  426   1HB   LYS  62          2HB       LYS  62 -10.435  -1.647  -4.736
  427   2HB   LYS  62          1HB       LYS  62  -9.500  -0.322  -4.047
  428   1HG   LYS  62          1HG       LYS  62  -8.936   0.426  -6.309
  429   2HG   LYS  62          2HG       LYS  62  -9.776  -0.933  -7.049
  430   1HD   LYS  62          1HD       LYS  62 -11.111   1.124  -7.164
  431   2HD   LYS  62          2HD       LYS  62 -11.930  -0.172  -6.275
  432   1HE   LYS  62          1HE       LYS  62 -11.461   0.860  -4.145
  433   2HE   LYS  62          2HE       LYS  62 -10.343   2.019  -4.885
  434   1HZ   LYS  62          2HZ       LYS  62 -13.240   1.877  -5.344
  435   2HZ   LYS  62          3HZ       LYS  62 -12.467   2.977  -4.394
  436   3HZ   LYS  62          1HZ       LYS  62 -12.216   2.977  -6.023
  437    H    LYS  63           HN       LYS  63  -6.700  -2.168  -6.884
  438    HA   LYS  63           HA       LYS  63  -8.159  -3.683  -8.717
  439   1HB   LYS  63          1HB       LYS  63  -5.310  -2.882  -8.187
  440   2HB   LYS  63          2HB       LYS  63  -5.519  -4.354  -9.065
  441   1HG   LYS  63          2HG       LYS  63  -5.298  -2.663 -10.676
  442   2HG   LYS  63          1HG       LYS  63  -6.995  -3.167 -10.727
  443   1HD   LYS  63          2HD       LYS  63  -7.586  -1.198  -9.284
  444   2HD   LYS  63          1HD       LYS  63  -5.883  -0.716  -9.270
  445   1HE   LYS  63          2HE       LYS  63  -7.652  -0.910 -11.758
  446   2HE   LYS  63          1HE       LYS  63  -7.207   0.583 -10.916
  447   1HZ   LYS  63          1HZ       LYS  63  -4.919   0.121 -11.407
  448   2HZ   LYS  63          2HZ       LYS  63  -5.338  -1.237 -12.245
  449   3HZ   LYS  63          3HZ       LYS  63  -5.821   0.242 -12.781
  450    H    ALA  64           H        ALA  64  -6.191  -4.460  -5.841
  451    HA   ALA  64           HA       ALA  64  -5.857  -7.294  -6.307
  452   1HB   ALA  64          1HB       ALA  64  -5.356  -5.369  -4.028
  453   2HB   ALA  64          2HB       ALA  64  -5.040  -7.094  -3.864
  454   3HB   ALA  64          3HB       ALA  64  -4.179  -6.134  -5.089
  455    H    SER  65           H        SER  65  -6.773  -8.958  -5.116
  456    HA   SER  65           HA       SER  65  -9.615  -8.686  -4.575
  457   1HB   SER  65          1HB       SER  65  -9.375 -11.202  -4.369
  458   2HB   SER  65          2HB       SER  65  -8.835 -10.506  -5.907
  459    HG   SER  65           HG       SER  65  -7.237 -11.902  -5.183
  460    H    ASP  66           HN       ASP  66  -7.438 -10.701  -2.802
  461    HA   ASP  66           HA       ASP  66  -7.743  -9.372  -0.216
  462   1HB   ASP  66          1HB       ASP  66  -9.869 -10.518  -0.166
  463   2HB   ASP  66          2HB       ASP  66  -9.112 -12.050  -0.643
  464    H    GLU  67           HN       GLU  67  -7.021 -12.546  -1.714
  465    HA   GLU  67           HA       GLU  67  -4.859 -13.380  -0.155
  466   1HB   GLU  67          2HB       GLU  67  -5.800 -14.735  -1.993
  467   2HB   GLU  67          1HB       GLU  67  -5.292 -13.530  -3.186
  468   1HG   GLU  67          2HG       GLU  67  -2.880 -14.013  -2.571
  469   2HG   GLU  67          1HG       GLU  67  -3.471 -15.301  -1.511
  470    H    GLU  68           HN       GLU  68  -4.905 -11.267  -2.993
  471    HA   GLU  68           HA       GLU  68  -2.225 -10.542  -3.116
  472   1HB   GLU  68          2HB       GLU  68  -4.900  -9.307  -3.933
  473   2HB   GLU  68          1HB       GLU  68  -3.339  -8.677  -4.391
  474   1HG   GLU  68          2HG       GLU  68  -4.434 -11.425  -5.129
  475   2HG   GLU  68          1HG       GLU  68  -4.419 -10.009  -6.182
  476    H    LEU  69           H        LEU  69  -5.065  -8.825  -1.515
  477    HA   LEU  69           HA       LEU  69  -3.697  -6.559  -0.788
  478   1HB   LEU  69          2HB       LEU  69  -5.990  -8.125   0.484
  479   2HB   LEU  69          1HB       LEU  69  -5.518  -6.548   0.970
  480    HG   LEU  69           HG       LEU  69  -6.667  -7.282  -1.735
  481   1HD1  LEU  69          3HD2      LEU  69  -8.289  -7.268   0.220
  482   2HD1  LEU  69          2HD2      LEU  69  -7.828  -5.589   0.527
  483   3HD1  LEU  69          1HD2      LEU  69  -8.635  -6.016  -0.987
  484   1HD2  LEU  69          1HD1      LEU  69  -5.127  -5.218  -1.823
  485   2HD2  LEU  69          3HD1      LEU  69  -6.811  -4.954  -2.296
  486   3HD2  LEU  69          2HD1      LEU  69  -6.273  -4.436  -0.714
  487    H    LYS  70           HN       LYS  70  -4.238  -9.625   1.044
  488    HA   LYS  70           HA       LYS  70  -2.751  -8.948   3.322
  489   1HB   LYS  70          1HB       LYS  70  -4.488 -10.855   2.758
  490   2HB   LYS  70          2HB       LYS  70  -3.074 -11.746   2.164
  491   1HG   LYS  70          2HG       LYS  70  -2.009 -11.158   4.412
  492   2HG   LYS  70          1HG       LYS  70  -3.604 -10.616   4.934
  493   1HD   LYS  70          1HD       LYS  70  -2.890 -13.438   3.978
  494   2HD   LYS  70          2HD       LYS  70  -3.132 -12.951   5.663
  495   1HE   LYS  70          1HE       LYS  70  -5.497 -12.324   5.130
  496   2HE   LYS  70          2HE       LYS  70  -5.263 -12.896   3.467
  497   1HZ   LYS  70          3HZ       LYS  70  -4.796 -15.061   4.340
  498   2HZ   LYS  70          1HZ       LYS  70  -5.027 -14.534   5.885
  499   3HZ   LYS  70          2HZ       LYS  70  -6.283 -14.539   4.819
  500    H    ALA  71           H        ALA  71  -1.848 -10.619   0.279
  501    HA   ALA  71           HA       ALA  71   0.806 -11.148   1.088
  502   1HB   ALA  71          1HB       ALA  71  -0.329 -12.342  -0.743
  503   2HB   ALA  71          3HB       ALA  71  -0.331 -10.855  -1.717
  504   3HB   ALA  71          2HB       ALA  71   1.209 -11.643  -1.277
  505    H    LEU  72           H        LEU  72  -0.566  -8.101  -0.364
  506    HA   LEU  72           HA       LEU  72   2.064  -7.100  -1.048
  507   1HB   LEU  72          1HB       LEU  72  -0.725  -6.259  -1.108
  508   2HB   LEU  72          2HB       LEU  72   0.285  -4.974  -0.447
  509    HG   LEU  72           HG       LEU  72   0.797  -6.409  -3.081
  510   1HD1  LEU  72          1HD2      LEU  72  -0.727  -3.863  -2.475
  511   2HD1  LEU  72          3HD2      LEU  72  -0.160  -4.300  -4.095
  512   3HD1  LEU  72          2HD2      LEU  72  -1.334  -5.331  -3.252
  513   1HD2  LEU  72          3HD1      LEU  72   2.816  -5.250  -2.135
  514   2HD2  LEU  72          1HD1      LEU  72   2.226  -4.498  -3.620
  515   3HD2  LEU  72          2HD1      LEU  72   1.869  -3.748  -2.058
  516    H    ALA  73           H        ALA  73  -0.182  -6.748   1.739
  517    HA   ALA  73           HA       ALA  73   1.505  -5.219   3.366
  518   1HB   ALA  73          2HB       ALA  73  -0.519  -7.381   4.131
  519   2HB   ALA  73          3HB       ALA  73   0.191  -6.213   5.246
  520   3HB   ALA  73          1HB       ALA  73  -0.817  -5.649   3.894
  521    H    ASP  74           HN       ASP  74   1.265  -8.832   3.313
  522    HA   ASP  74           HA       ASP  74   3.294  -9.345   5.163
  523   1HB   ASP  74          1HB       ASP  74   1.788 -11.077   4.290
  524   2HB   ASP  74          2HB       ASP  74   2.539 -10.952   2.688
  525    H    TYR  75           H        TYR  75   3.629  -9.119   1.566
  526    HA   TYR  75           HA       TYR  75   6.384  -9.546   1.376
  527   1HB   TYR  75          1HB       TYR  75   4.944  -9.445  -0.567
  528   2HB   TYR  75          2HB       TYR  75   4.477  -7.795  -0.230
  529    HD1  TYR  75           HD1      TYR  75   7.680  -9.731  -0.760
  530    HD2  TYR  75           HD2      TYR  75   5.464  -6.109  -1.514
  531    HE1  TYR  75           HE1      TYR  75   9.541  -8.870  -2.156
  532    HE2  TYR  75           HE2      TYR  75   7.346  -5.232  -2.846
  533    HH   TYR  75           HH       TYR  75   9.419  -5.671  -3.744
  534    H    MET  76           H        MET  76   4.697  -6.418   1.471
  535    HA   MET  76           HA       MET  76   7.020  -4.779   1.626
  536   1HB   MET  76          1HB       MET  76   4.151  -4.311   2.479
  537   2HB   MET  76          2HB       MET  76   5.391  -3.043   2.409
  538   1HG   MET  76          1HG       MET  76   5.754  -3.555  -0.007
  539   2HG   MET  76          2HG       MET  76   4.479  -4.761   0.053
  540   1HE   MET  76          3HE       MET  76   2.693  -2.626   2.170
  541   2HE   MET  76          1HE       MET  76   1.517  -2.044   0.988
  542   3HE   MET  76          2HE       MET  76   1.871  -3.781   1.095
  543    H    SER  77           H        SER  77   5.261  -6.428   4.242
  544    HA   SER  77           HA       SER  77   6.639  -5.003   6.327
  545   1HB   SER  77          2HB       SER  77   4.486  -6.357   6.494
  546   2HB   SER  77          1HB       SER  77   5.481  -7.815   6.485
  547    HG   SER  77           HG       SER  77   5.939  -5.676   8.291
  548    H    LYS  78           HN       LYS  78   7.841  -7.296   4.059
  549    HA   LYS  78           HA       LYS  78  10.148  -8.029   5.811
  550   1HB   LYS  78          2HB       LYS  78   8.593  -9.829   3.892
  551   2HB   LYS  78          1HB       LYS  78  10.077 -10.257   4.763
  552   1HG   LYS  78          2HG       LYS  78   8.883  -9.963   6.926
  553   2HG   LYS  78          1HG       LYS  78   7.398  -9.551   6.042
  554   1HD   LYS  78          1HD       LYS  78   7.335 -11.755   4.983
  555   2HD   LYS  78          2HD       LYS  78   8.881 -12.192   5.730
  556   1HE   LYS  78          2HE       LYS  78   7.039 -13.212   6.973
  557   2HE   LYS  78          1HE       LYS  78   7.863 -12.015   7.986
  558   1HZ   LYS  78          3HZ       LYS  78   6.100 -10.474   7.457
  559   2HZ   LYS  78          2HZ       LYS  78   5.338 -11.609   6.529
  560   3HZ   LYS  78          1HZ       LYS  78   5.500 -11.842   8.150
  561    H    LEU  79           H        LEU  79  10.290  -5.765   4.395
  562    HA   LEU  79           HA       LEU  79  11.606  -6.353   1.838
  563   1HB   LEU  79          1HB       LEU  79   9.151  -5.672   1.836
  564   2HB   LEU  79          2HB       LEU  79   9.623  -4.216   2.706
  565    HG   LEU  79           HG       LEU  79  10.961  -3.477   1.005
  566   1HD1  LEU  79          1HD1      LEU  79  10.242  -6.034  -0.488
  567   2HD1  LEU  79          2HD1      LEU  79  10.821  -4.602  -1.363
  568   3HD1  LEU  79          3HD1      LEU  79  11.865  -5.381  -0.170
  569   1HD2  LEU  79          3HD2      LEU  79   8.504  -2.993   1.005
  570   2HD2  LEU  79          1HD2      LEU  79   9.202  -2.871  -0.623
  571   3HD2  LEU  79          2HD2      LEU  79   8.278  -4.318  -0.165
  572    HHA  HEC   1           HHA      HEM   1   2.075   4.887   3.740
  573    HHB  HEC   1           HHB      HEM   1  -0.375  -0.128   0.688
  574    HHC  HEC   1           HHC      HEM   1   0.446   3.084  -4.796
  575    HHD  HEC   1           HHD      HEM   1   0.771   8.487  -1.343
  576   1HMA  HEC   1          1HMA      HEM   1  -1.427   0.169   3.176
  577   2HMA  HEC   1          2HMA      HEM   1  -0.295   0.190   4.524
  578   3HMA  HEC   1          3HMA      HEM   1   0.121  -0.710   3.045
  579   1HAA  HEC   1          1HAA      HEM   1   1.280   1.626   5.436
  580   2HAA  HEC   1          2HAA      HEM   1   2.055   3.149   5.079
  581   1HBA  HEC   1          1HBA      HEM   1  -0.807   2.614   5.904
  582   2HBA  HEC   1          2HBA      HEM   1  -0.377   4.142   5.148
  583   1HMB  HEC   1          1HMB      HEM   1   0.387  -1.848  -2.577
  584   2HMB  HEC   1          2HMB      HEM   1  -1.230  -1.507  -1.912
  585   3HMB  HEC   1          3HMB      HEM   1   0.189  -1.628  -0.849
  586    HAB  HEC   1           HAB      HEM   1   0.367   1.039  -5.335
  587   1HBB  HEC   1          1HBB      HEM   1  -1.820   0.013  -4.868
  588   2HBB  HEC   1          2HBB      HEM   1  -0.995  -1.472  -4.349
  589   3HBB  HEC   1          3HBB      HEM   1  -0.818  -0.904  -6.010
  590   1HMC  HEC   1          1HMC      HEM   1  -0.565   4.994  -6.034
  591   2HMC  HEC   1          2HMC      HEM   1   0.304   6.500  -6.350
  592   3HMC  HEC   1          3HMC      HEM   1   1.206   4.989  -6.211
  593    HAC  HEC   1           HAC      HEM   1   1.304   8.922  -3.403
  594   1HBC  HEC   1          1HBC      HEM   1  -0.038   9.891  -5.212
  595   2HBC  HEC   1          2HBC      HEM   1  -1.048   9.072  -3.994
  596   3HBC  HEC   1          3HBC      HEM   1  -0.733   8.303  -5.558
  597   1HMD  HEC   1          1HMD      HEM   1  -0.143   9.640   0.554
  598   2HMD  HEC   1          2HMD      HEM   1   1.568   9.954   0.931
  599   3HMD  HEC   1          3HMD      HEM   1   0.376   9.836   2.230
  600   1HAD  HEC   1          1HAD      HEM   1  -0.127   7.840   4.077
  601   2HAD  HEC   1          2HAD      HEM   1   1.417   8.653   3.970
  602   1HBD  HEC   1          1HBD      HEM   1   2.517   6.643   5.037
  603   2HBD  HEC   1          2HBD      HEM   1   0.954   5.883   5.216
   
  No H/Q in entry =         603
  Start of MODEL   29
    1   1H    ALA   1          3H        ALA   1   4.989 -11.313  -8.390
    2   2H    ALA   1          1H        ALA   1   5.589 -12.680  -9.137
    3   3H    ALA   1          2H        ALA   1   4.096 -12.064  -9.526
    4    HA   ALA   1           HA       ALA   1   3.654 -13.880  -8.154
    5   1HB   ALA   1          2HB       ALA   1   5.912 -14.066  -7.147
    6   2HB   ALA   1          1HB       ALA   1   5.614 -12.590  -6.200
    7   3HB   ALA   1          3HB       ALA   1   4.652 -14.050  -5.902
    8    H    ASP   2           HN       ASP   2   2.252 -13.737  -6.072
    9    HA   ASP   2           HA       ASP   2   0.441 -11.583  -6.309
   10   1HB   ASP   2          2HB       ASP   2  -0.501 -12.501  -4.178
   11   2HB   ASP   2          1HB       ASP   2  -0.264 -13.724  -5.429
   12    H    GLY   3           H        GLY   3   0.070  -9.790  -4.950
   13   1HA   GLY   3          2HA       GLY   3   0.563  -8.058  -3.540
   14   2HA   GLY   3          1HA       GLY   3   1.868  -9.004  -2.811
   15    H    ALA   4           H        ALA   4   3.635  -9.505  -4.451
   16    HA   ALA   4           HA       ALA   4   5.182  -7.202  -4.887
   17   1HB   ALA   4          1HB       ALA   4   6.090  -9.496  -4.692
   18   2HB   ALA   4          2HB       ALA   4   5.429  -9.899  -6.287
   19   3HB   ALA   4          3HB       ALA   4   6.702  -8.667  -6.138
   20    H    ALA   5           H        ALA   5   3.288  -9.088  -7.272
   21    HA   ALA   5           HA       ALA   5   3.904  -7.697  -9.611
   22   1HB   ALA   5          1HB       ALA   5   1.250  -8.926  -8.753
   23   2HB   ALA   5          3HB       ALA   5   1.679  -8.458 -10.412
   24   3HB   ALA   5          2HB       ALA   5   2.581  -9.748  -9.601
   25    H    LEU   6           H        LEU   6   1.555  -6.816  -7.054
   26    HA   LEU   6           HA       LEU   6   0.488  -4.553  -8.575
   27   1HB   LEU   6          1HB       LEU   6   0.213  -5.182  -5.610
   28   2HB   LEU   6          2HB       LEU   6  -0.708  -4.019  -6.566
   29    HG   LEU   6           HG       LEU   6  -1.164  -6.329  -8.006
   30   1HD1  LEU   6          2HD1      LEU   6  -0.026  -7.766  -6.251
   31   2HD1  LEU   6          1HD1      LEU   6  -1.162  -7.133  -5.044
   32   3HD1  LEU   6          3HD1      LEU   6  -1.754  -8.076  -6.425
   33   1HD2  LEU   6          2HD2      LEU   6  -2.726  -5.328  -5.607
   34   2HD2  LEU   6          1HD2      LEU   6  -2.895  -4.735  -7.277
   35   3HD2  LEU   6          3HD2      LEU   6  -3.365  -6.396  -6.876
   36    H    TYR   7           H        TYR   7   2.737  -5.148  -5.861
   37    HA   TYR   7           HA       TYR   7   3.301  -2.554  -5.132
   38   1HB   TYR   7          1HB       TYR   7   4.102  -4.590  -3.959
   39   2HB   TYR   7          2HB       TYR   7   5.355  -4.769  -5.187
   40    HD1  TYR   7           HD2      TYR   7   3.977  -2.351  -2.670
   41    HD2  TYR   7           HD1      TYR   7   7.383  -3.465  -5.067
   42    HE1  TYR   7           HE2      TYR   7   5.298  -0.508  -1.665
   43    HE2  TYR   7           HE1      TYR   7   8.727  -1.708  -3.967
   44    HH   TYR   7           HH       TYR   7   8.618   0.250  -2.685
   45    H    LYS   8           HN       LYS   8   4.811  -4.365  -7.821
   46    HA   LYS   8           HA       LYS   8   6.909  -2.810  -8.541
   47   1HB   LYS   8          2HB       LYS   8   4.835  -3.725 -10.573
   48   2HB   LYS   8          1HB       LYS   8   6.527  -3.348 -10.886
   49   1HG   LYS   8          1HG       LYS   8   5.348  -5.710  -9.426
   50   2HG   LYS   8          2HG       LYS   8   6.326  -5.711 -10.875
   51   1HD   LYS   8          2HD       LYS   8   7.315  -5.037  -8.060
   52   2HD   LYS   8          1HD       LYS   8   7.576  -6.545  -8.930
   53   1HE   LYS   8          1HE       LYS   8   8.854  -5.361 -10.691
   54   2HE   LYS   8          2HE       LYS   8   8.618  -3.820  -9.849
   55   1HZ   LYS   8          2HZ       LYS   8  10.030  -6.151  -8.768
   56   2HZ   LYS   8          1HZ       LYS   8  10.723  -4.772  -9.348
   57   3HZ   LYS   8          3HZ       LYS   8   9.798  -4.719  -7.985
   58    H    SER   9           H        SER   9   3.546  -1.945  -9.538
   59    HA   SER   9           HA       SER   9   4.143   0.412 -10.886
   60   1HB   SER   9          1HB       SER   9   1.621   0.509  -9.357
   61   2HB   SER   9          2HB       SER   9   1.893   0.427 -11.100
   62    HG   SER   9           HG       SER   9   1.695  -1.698  -9.215
   63    H    CYS  10           H        CYS  10   3.592  -0.146  -7.444
   64    HA   CYS  10           HA       CYS  10   3.114   2.487  -6.547
   65   1HB   CYS  10          2HB       CYS  10   4.238   0.296  -4.881
   66   2HB   CYS  10          1HB       CYS  10   3.195   1.603  -4.397
   67    H    ILE  11           H        ILE  11   6.022   0.600  -7.169
   68    HA   ILE  11           HA       ILE  11   7.933   1.861  -5.670
   69    HB   ILE  11           HB       ILE  11   8.144   0.855  -8.525
   70   1HG1  ILE  11          2HG1      ILE  11   8.953  -0.351  -5.833
   71   2HG1  ILE  11          1HG1      ILE  11   7.502  -0.801  -6.734
   72   1HG2  ILE  11          2HG2      ILE  11  10.418   1.578  -6.656
   73   2HG2  ILE  11          1HG2      ILE  11  10.591   0.736  -8.207
   74   3HG2  ILE  11          3HG2      ILE  11  10.016   2.387  -8.183
   75   1HD1  ILE  11          2HD1      ILE  11   9.013  -1.526  -8.642
   76   2HD1  ILE  11          1HD1      ILE  11  10.380  -1.357  -7.513
   77   3HD1  ILE  11          3HD1      ILE  11   9.083  -2.501  -7.158
   78    H    GLY  12           H        GLY  12   6.310   3.110  -8.584
   79   1HA   GLY  12          1HA       GLY  12   7.930   5.214  -9.367
   80   2HA   GLY  12          2HA       GLY  12   6.160   5.232  -9.396
   81    H    CYS  13           H        CYS  13   5.856   5.054  -6.463
   82    HA   CYS  13           HA       CYS  13   6.645   7.867  -5.729
   83   1HB   CYS  13          1HB       CYS  13   4.216   7.369  -6.118
   84   2HB   CYS  13          2HB       CYS  13   4.302   6.272  -4.709
   85    H    HIS  14           HN       HIS  14   6.392   4.485  -4.660
   86    HA   HIS  14           HA       HIS  14   7.264   5.121  -1.963
   87   1HB   HIS  14          2HB       HIS  14   6.413   2.605  -3.410
   88   2HB   HIS  14          1HB       HIS  14   7.143   2.550  -1.809
   89    HD1  HIS  14           HD1      HIS  14   5.989   3.645   0.189
   90    HD2  HIS  14           HD2      HIS  14   3.736   3.688  -3.333
   91    HE1  HIS  14           HE1      HIS  14   3.623   4.213   0.830
   92    H    GLY  15           H        GLY  15   8.910   3.944  -4.869
   93   1HA   GLY  15          1HA       GLY  15  11.180   3.598  -5.136
   94   2HA   GLY  15          2HA       GLY  15  11.472   3.864  -3.411
   95    H    ALA  16           H        ALA  16  12.673   1.763  -4.851
   96    HA   ALA  16           HA       ALA  16  11.375  -0.689  -4.994
   97   1HB   ALA  16          2HB       ALA  16  14.285  -0.140  -4.262
   98   2HB   ALA  16          3HB       ALA  16  13.626  -1.694  -4.819
   99   3HB   ALA  16          1HB       ALA  16  13.611  -0.287  -5.900
  100    H    ASP  17           HN       ASP  17  13.367   0.449  -2.211
  101    HA   ASP  17           HA       ASP  17  12.269  -1.678  -0.487
  102   1HB   ASP  17          1HB       ASP  17  13.920  -0.963   1.055
  103   2HB   ASP  17          2HB       ASP  17  14.684  -1.287  -0.507
  104    H    GLY  18           H        GLY  18  10.447   0.377  -1.333
  105   1HA   GLY  18          2HA       GLY  18   8.872   1.865  -0.517
  106   2HA   GLY  18          1HA       GLY  18   8.943   0.805   0.895
  107    H    SER  19           H        SER  19  11.600   2.915  -0.183
  108    HA   SER  19           HA       SER  19  12.036   4.049   2.402
  109   1HB   SER  19          1HB       SER  19  13.678   5.433   0.941
  110   2HB   SER  19          2HB       SER  19  13.887   3.672   0.993
  111    HG   SER  19           HG       SER  19  12.752   5.218  -1.083
  112    H    LYS  20           HN       LYS  20  10.548   5.108  -0.572
  113    HA   LYS  20           HA       LYS  20   9.532   6.908  -1.357
  114   1HB   LYS  20          1HB       LYS  20   7.429   7.205  -0.224
  115   2HB   LYS  20          2HB       LYS  20   7.946   5.539   0.021
  116   1HG   LYS  20          1HG       LYS  20   8.389   5.763   2.216
  117   2HG   LYS  20          2HG       LYS  20   8.777   7.466   2.151
  118   1HD   LYS  20          2HD       LYS  20   6.713   7.165   3.357
  119   2HD   LYS  20          1HD       LYS  20   6.419   8.095   1.895
  120   1HE   LYS  20          1HE       LYS  20   5.487   6.159   0.761
  121   2HE   LYS  20          2HE       LYS  20   6.008   5.080   2.082
  122   1HZ   LYS  20          3HZ       LYS  20   4.517   6.217   3.529
  123   2HZ   LYS  20          1HZ       LYS  20   3.988   7.190   2.294
  124   3HZ   LYS  20          2HZ       LYS  20   3.724   5.572   2.247
  125    H    ALA  21           H        ALA  21   8.351   8.861  -0.871
  126    HA   ALA  21           HA       ALA  21   8.819  10.756   1.198
  127   1HB   ALA  21          2HB       ALA  21  10.006  11.378  -1.575
  128   2HB   ALA  21          3HB       ALA  21   9.805  12.549  -0.253
  129   3HB   ALA  21          1HB       ALA  21  10.941  11.202  -0.072
  130    H    ALA  22           H        ALA  22   6.788   9.228   0.204
  131    HA   ALA  22           HA       ALA  22   5.319  10.305  -1.954
  132   1HB   ALA  22          2HB       ALA  22   5.103   7.974  -1.140
  133   2HB   ALA  22          3HB       ALA  22   4.349   8.570   0.363
  134   3HB   ALA  22          1HB       ALA  22   3.569   8.841  -1.205
  135    H    MET  23           H        MET  23   3.761  11.824  -2.045
  136    HA   MET  23           HA       MET  23   3.059  13.955  -1.549
  137   1HB   MET  23          2HB       MET  23   1.899  12.467   0.847
  138   2HB   MET  23          1HB       MET  23   1.402  14.066   0.274
  139   1HG   MET  23          2HG       MET  23   0.854  13.066  -1.957
  140   2HG   MET  23          1HG       MET  23   1.165  11.465  -1.273
  141   1HE   MET  23          1HE       MET  23  -1.471  12.109  -2.783
  142   2HE   MET  23          2HE       MET  23  -1.193  10.551  -1.961
  143   3HE   MET  23          3HE       MET  23  -2.705  11.447  -1.686
  144    H    GLY  24           H        GLY  24   5.738  13.685  -0.941
  145   1HA   GLY  24          1HA       GLY  24   7.259  15.197  -0.066
  146   2HA   GLY  24          2HA       GLY  24   6.042  15.849   1.041
  147    H    SER  25           H        SER  25   5.146  13.793   2.519
  148    HA   SER  25           HA       SER  25   7.284  12.018   3.406
  149   1HB   SER  25          2HB       SER  25   6.385  14.361   5.141
  150   2HB   SER  25          1HB       SER  25   7.223  12.933   5.772
  151    HG   SER  25           HG       SER  25   8.465  14.053   3.585
  152    H    ALA  26           H        ALA  26   6.433  10.243   4.360
  153    HA   ALA  26           HA       ALA  26   3.779  10.166   5.625
  154   1HB   ALA  26          1HB       ALA  26   4.391   9.051   2.867
  155   2HB   ALA  26          3HB       ALA  26   3.071   8.448   3.882
  156   3HB   ALA  26          2HB       ALA  26   3.069  10.130   3.335
  157    H    LYS  27           HN       LYS  27   3.399   7.699   6.376
  158    HA   LYS  27           HA       LYS  27   5.529   6.725   7.831
  159   1HB   LYS  27          2HB       LYS  27   2.895   5.717   6.709
  160   2HB   LYS  27          1HB       LYS  27   3.966   4.606   7.460
  161   1HG   LYS  27          2HG       LYS  27   2.828   7.046   8.831
  162   2HG   LYS  27          1HG       LYS  27   2.216   5.388   8.919
  163   1HD   LYS  27          2HD       LYS  27   4.904   6.365   9.983
  164   2HD   LYS  27          1HD       LYS  27   3.495   5.892  10.921
  165   1HE   LYS  27          2HE       LYS  27   5.241   4.045   9.225
  166   2HE   LYS  27          1HE       LYS  27   5.118   4.104  10.982
  167   1HZ   LYS  27          2HZ       LYS  27   2.817   3.435  10.780
  168   2HZ   LYS  27          1HZ       LYS  27   2.978   3.296   9.142
  169   3HZ   LYS  27          3HZ       LYS  27   3.844   2.322  10.141
  170    HA   PRO  28           HA       PRO  28   7.506   5.204   4.100
  171   1HB   PRO  28          1HB       PRO  28   9.522   4.049   6.062
  172   2HB   PRO  28          2HB       PRO  28   9.865   4.944   4.551
  173   1HG   PRO  28          1HG       PRO  28  10.110   6.189   6.959
  174   2HG   PRO  28          2HG       PRO  28   9.309   7.032   5.598
  175   1HD   PRO  28          1HD       PRO  28   7.983   5.537   7.884
  176   2HD   PRO  28          2HD       PRO  28   7.635   7.172   7.255
  177    H    VAL  29           H        VAL  29   7.458   3.231   3.042
  178    HA   VAL  29           HA       VAL  29   5.777   1.245   4.397
  179    HB   VAL  29           HB       VAL  29   6.882   1.544   1.591
  180   1HG1  VAL  29          1HG1      VAL  29   5.173  -0.690   2.726
  181   2HG1  VAL  29          3HG1      VAL  29   5.554  -0.428   1.007
  182   3HG1  VAL  29          2HG1      VAL  29   6.841  -0.898   2.130
  183   1HG2  VAL  29          3HG2      VAL  29   4.078   1.469   2.829
  184   2HG2  VAL  29          1HG2      VAL  29   4.917   2.929   2.291
  185   3HG2  VAL  29          2HG2      VAL  29   4.430   1.677   1.113
  186    H    LYS  30           HN       LYS  30   9.123   1.682   3.427
  187    HA   LYS  30           HA       LYS  30  10.483  -0.542   3.637
  188   1HB   LYS  30          2HB       LYS  30  11.476   1.731   3.595
  189   2HB   LYS  30          1HB       LYS  30  11.015   1.976   5.277
  190   1HG   LYS  30          1HG       LYS  30  13.330   1.478   5.313
  191   2HG   LYS  30          2HG       LYS  30  12.535   0.025   5.907
  192   1HD   LYS  30          2HD       LYS  30  12.666  -0.757   3.369
  193   2HD   LYS  30          1HD       LYS  30  13.830   0.561   3.220
  194   1HE   LYS  30          1HE       LYS  30  15.105  -1.381   3.639
  195   2HE   LYS  30          2HE       LYS  30  15.051  -0.592   5.230
  196   1HZ   LYS  30          3HZ       LYS  30  13.330  -2.766   4.240
  197   2HZ   LYS  30          1HZ       LYS  30  14.554  -2.946   5.334
  198   3HZ   LYS  30          2HZ       LYS  30  13.196  -2.094   5.740
  199    H    GLY  31           H        GLY  31   9.918  -2.319   4.819
  200   1HA   GLY  31          2HA       GLY  31   9.282  -3.674   6.496
  201   2HA   GLY  31          1HA       GLY  31  10.581  -2.845   7.359
  202    H    GLN  32           H        GLN  32   7.453  -1.161   6.591
  203    HA   GLN  32           HA       GLN  32   7.029  -0.931   9.490
  204   1HB   GLN  32          2HB       GLN  32   5.478   0.619   9.258
  205   2HB   GLN  32          1HB       GLN  32   6.476   0.929   7.837
  206   1HG   GLN  32          1HG       GLN  32   4.861  -0.441   6.544
  207   2HG   GLN  32          2HG       GLN  32   3.850  -0.544   8.001
  208   1HE2  GLN  32          1HE2      GLN  32   3.705   3.130   6.185
  209   2HE2  GLN  32          2HE2      GLN  32   5.262   2.326   6.248
  210    H    GLY  33           H        GLY  33   4.773  -1.771  10.340
  211   1HA   GLY  33          1HA       GLY  33   5.210  -4.616  10.116
  212   2HA   GLY  33          2HA       GLY  33   3.900  -3.906  11.037
  213    H    ALA  34           H        ALA  34   4.160  -6.178   9.031
  214    HA   ALA  34           HA       ALA  34   2.430  -5.896   6.910
  215   1HB   ALA  34          3HB       ALA  34   3.608  -7.968   7.557
  216   2HB   ALA  34          2HB       ALA  34   2.526  -8.144   8.957
  217   3HB   ALA  34          1HB       ALA  34   1.869  -8.259   7.301
  218    H    GLU  35           HN       GLU  35   1.630  -6.101  10.356
  219    HA   GLU  35           HA       GLU  35  -1.187  -6.308  10.226
  220   1HB   GLU  35          2HB       GLU  35   0.689  -4.944  12.239
  221   2HB   GLU  35          1HB       GLU  35  -1.038  -5.152  12.460
  222   1HG   GLU  35          1HG       GLU  35   0.056  -6.920  13.658
  223   2HG   GLU  35          2HG       GLU  35  -0.752  -7.643  12.264
  224    H    GLU  36           HN       GLU  36   0.920  -3.350  10.556
  225    HA   GLU  36           HA       GLU  36  -1.031  -1.395  10.465
  226   1HB   GLU  36          2HB       GLU  36   1.923  -1.514   9.584
  227   2HB   GLU  36          1HB       GLU  36   0.981  -0.101   9.812
  228   1HG   GLU  36          2HG       GLU  36   0.675  -0.644  12.206
  229   2HG   GLU  36          1HG       GLU  36   1.730  -2.054  12.002
  230    H    LEU  37           H        LEU  37   1.147  -2.678   7.948
  231    HA   LEU  37           HA       LEU  37   0.190  -1.212   5.771
  232   1HB   LEU  37          1HB       LEU  37   1.373  -4.024   5.964
  233   2HB   LEU  37          2HB       LEU  37   1.096  -3.205   4.420
  234    HG   LEU  37           HG       LEU  37   2.765  -1.868   6.549
  235   1HD1  LEU  37          1HD2      LEU  37   3.711  -3.949   4.545
  236   2HD1  LEU  37          3HD2      LEU  37   4.788  -2.851   5.432
  237   3HD1  LEU  37          2HD2      LEU  37   3.815  -4.041   6.312
  238   1HD2  LEU  37          2HD1      LEU  37   1.947  -0.720   4.477
  239   2HD2  LEU  37          1HD1      LEU  37   3.715  -0.724   4.612
  240   3HD2  LEU  37          3HD1      LEU  37   2.899  -1.845   3.503
  241    H    TYR  38           HN       TYR  38  -0.860  -4.522   6.762
  242    HA   TYR  38           HA       TYR  38  -2.778  -4.764   4.729
  243   1HB   TYR  38          2HB       TYR  38  -2.022  -6.686   6.043
  244   2HB   TYR  38          1HB       TYR  38  -2.768  -6.010   7.492
  245    HD1  TYR  38           HE2      TYR  38  -3.726  -6.762   3.909
  246    HD2  TYR  38           HD1      TYR  38  -4.915  -6.831   8.055
  247    HE1  TYR  38           HE1      TYR  38  -5.924  -7.709   3.268
  248    HE2  TYR  38           HD2      TYR  38  -7.111  -7.758   7.407
  249    HH   TYR  38           HH       TYR  38  -8.452  -8.469   5.672
  250    H    LYS  39           HN       LYS  39  -3.199  -3.628   8.101
  251    HA   LYS  39           HA       LYS  39  -5.968  -3.191   7.878
  252   1HB   LYS  39          2HB       LYS  39  -4.348  -3.126   9.915
  253   2HB   LYS  39          1HB       LYS  39  -4.007  -1.460   9.493
  254   1HG   LYS  39          1HG       LYS  39  -6.394  -0.870   9.783
  255   2HG   LYS  39          2HG       LYS  39  -6.777  -2.574  10.123
  256   1HD   LYS  39          2HD       LYS  39  -5.286  -2.548  12.088
  257   2HD   LYS  39          1HD       LYS  39  -4.785  -0.894  11.714
  258   1HE   LYS  39          2HE       LYS  39  -6.433  -0.871  13.529
  259   2HE   LYS  39          1HE       LYS  39  -7.102  -0.079  12.093
  260   1HZ   LYS  39          2HZ       LYS  39  -7.639  -2.847  12.927
  261   2HZ   LYS  39          3HZ       LYS  39  -8.657  -1.566  13.127
  262   3HZ   LYS  39          1HZ       LYS  39  -8.288  -2.094  11.611
  263    H    LYS  40           HN       LYS  40  -3.276  -0.862   7.314
  264    HA   LYS  40           HA       LYS  40  -4.935   1.338   6.668
  265   1HB   LYS  40          1HB       LYS  40  -2.078   0.522   6.019
  266   2HB   LYS  40          2HB       LYS  40  -2.764   2.104   5.698
  267   1HG   LYS  40          2HG       LYS  40  -2.486   0.877   8.487
  268   2HG   LYS  40          1HG       LYS  40  -1.399   2.049   7.747
  269   1HD   LYS  40          2HD       LYS  40  -3.535   3.522   7.521
  270   2HD   LYS  40          1HD       LYS  40  -4.284   2.385   8.645
  271   1HE   LYS  40          1HE       LYS  40  -3.437   4.173   9.990
  272   2HE   LYS  40          2HE       LYS  40  -2.317   2.820  10.224
  273   1HZ   LYS  40          1HZ       LYS  40  -0.916   3.903   8.510
  274   2HZ   LYS  40          3HZ       LYS  40  -1.947   5.181   8.507
  275   3HZ   LYS  40          2HZ       LYS  40  -1.113   4.810   9.875
  276    H    MET  41           H        MET  41  -3.324  -1.141   4.572
  277    HA   MET  41           HA       MET  41  -4.221   0.087   2.172
  278   1HB   MET  41          1HB       MET  41  -3.264  -1.535   1.037
  279   2HB   MET  41          2HB       MET  41  -2.262  -1.502   2.486
  280   1HG   MET  41          1HG       MET  41  -2.439  -3.869   2.017
  281   2HG   MET  41          2HG       MET  41  -3.806  -3.585   3.134
  282   1HE   MET  41          1HE       MET  41  -2.835  -2.846  -0.557
  283   2HE   MET  41          2HE       MET  41  -2.580  -4.573  -0.328
  284   3HE   MET  41          3HE       MET  41  -3.832  -3.999  -1.447
  285    H    LYS  42           HN       LYS  42  -5.637  -2.473   4.204
  286    HA   LYS  42           HA       LYS  42  -7.933  -2.973   2.577
  287   1HB   LYS  42          1HB       LYS  42  -6.990  -4.168   4.773
  288   2HB   LYS  42          2HB       LYS  42  -8.072  -3.057   5.602
  289   1HG   LYS  42          2HG       LYS  42  -8.753  -5.154   3.485
  290   2HG   LYS  42          1HG       LYS  42  -9.044  -5.260   5.222
  291   1HD   LYS  42          2HD       LYS  42 -10.588  -3.240   5.006
  292   2HD   LYS  42          1HD       LYS  42 -10.422  -3.400   3.241
  293   1HE   LYS  42          2HE       LYS  42 -11.257  -5.740   3.373
  294   2HE   LYS  42          1HE       LYS  42 -11.464  -5.562   5.127
  295   1HZ   LYS  42          2HZ       LYS  42 -13.027  -3.804   4.694
  296   2HZ   LYS  42          1HZ       LYS  42 -12.847  -3.995   3.067
  297   3HZ   LYS  42          3HZ       LYS  42 -13.497  -5.207   3.971
  298    H    GLY  43           H        GLY  43  -7.149  -0.617   5.134
  299   1HA   GLY  43          2HA       GLY  43  -9.489   0.776   5.580
  300   2HA   GLY  43          1HA       GLY  43  -7.864   1.454   5.599
  301    H    TYR  44           H        TYR  44  -6.985   1.479   3.090
  302    HA   TYR  44           HA       TYR  44  -8.444   3.551   1.777
  303   1HB   TYR  44          2HB       TYR  44  -6.296   1.593   0.905
  304   2HB   TYR  44          1HB       TYR  44  -6.897   2.858  -0.135
  305    HD1  TYR  44           HD1      TYR  44  -6.946   5.258   1.719
  306    HD2  TYR  44           HD2      TYR  44  -4.030   2.245   0.809
  307    HE1  TYR  44           HE1      TYR  44  -5.107   6.764   2.388
  308    HE2  TYR  44           HE2      TYR  44  -2.264   3.716   1.702
  309    HH   TYR  44           HH       TYR  44  -1.898   5.354   3.299
  310    H    ALA  45           H        ALA  45  -8.001   0.071   0.866
  311    HA   ALA  45           HA       ALA  45  -9.569   0.046  -1.423
  312   1HB   ALA  45          3HB       ALA  45  -8.185  -1.847  -0.638
  313   2HB   ALA  45          2HB       ALA  45  -9.350  -2.166   0.663
  314   3HB   ALA  45          1HB       ALA  45  -9.836  -2.361  -1.033
  315    H    ASP  46           HN       ASP  46 -10.708  -0.540   1.908
  316    HA   ASP  46           HA       ASP  46 -13.490  -0.853   1.241
  317   1HB   ASP  46          2HB       ASP  46 -12.538  -1.795   3.267
  318   2HB   ASP  46          1HB       ASP  46 -12.014  -0.207   3.831
  319    H    GLY  47           H        GLY  47 -11.624   1.819   2.707
  320   1HA   GLY  47          2HA       GLY  47 -11.970   4.092   2.021
  321   2HA   GLY  47          1HA       GLY  47 -13.725   3.819   1.937
  322    H    SER  48           H        SER  48 -11.577   2.563   4.484
  323    HA   SER  48           HA       SER  48 -12.892   4.256   6.531
  324   1HB   SER  48          2HB       SER  48 -11.327   2.243   7.717
  325   2HB   SER  48          1HB       SER  48 -13.087   2.255   7.538
  326    HG   SER  48           HG       SER  48 -12.884   1.102   5.643
  327    H    TYR  49           H        TYR  49 -10.119   4.325   4.589
  328    HA   TYR  49           HA       TYR  49  -8.734   5.974   6.584
  329   1HB   TYR  49          1HB       TYR  49  -7.872   3.631   6.844
  330   2HB   TYR  49          2HB       TYR  49  -7.362   3.657   5.159
  331    HD1  TYR  49           HD2      TYR  49  -7.041   5.564   8.390
  332    HD2  TYR  49           HD1      TYR  49  -5.099   4.348   4.741
  333    HE1  TYR  49           HE2      TYR  49  -4.974   6.734   9.097
  334    HE2  TYR  49           HE1      TYR  49  -3.029   5.526   5.466
  335    HH   TYR  49           HH       TYR  49  -2.013   6.852   7.103
  336    H    GLY  50           H        GLY  50  -6.992   7.210   5.637
  337   1HA   GLY  50          2HA       GLY  50  -5.952   8.404   3.943
  338   2HA   GLY  50          1HA       GLY  50  -7.032   7.761   2.705
  339    H    GLY  51           H        GLY  51  -6.353  10.406   4.602
  340   1HA   GLY  51          1HA       GLY  51  -8.700  11.601   5.445
  341   2HA   GLY  51          2HA       GLY  51  -7.325  12.502   4.780
  342    H    GLU  52           HN       GLU  52  -7.268  11.798   2.190
  343    HA   GLU  52           HA       GLU  52  -9.917  12.533   0.998
  344   1HB   GLU  52          1HB       GLU  52  -8.371  13.440  -0.892
  345   2HB   GLU  52          2HB       GLU  52  -8.665  14.405   0.546
  346   1HG   GLU  52          2HG       GLU  52  -6.286  14.412  -0.249
  347   2HG   GLU  52          1HG       GLU  52  -6.512  14.001   1.449
  348    H    ARG  53           HN       ARG  53  -9.114   9.906   1.750
  349    HA   ARG  53           HA       ARG  53  -9.258   7.846   1.077
  350   1HB   ARG  53          1HB       ARG  53 -10.934   8.912  -0.564
  351   2HB   ARG  53          2HB       ARG  53  -9.642   8.802  -1.773
  352   1HG   ARG  53          1HG       ARG  53 -10.639   6.814  -2.147
  353   2HG   ARG  53          2HG       ARG  53  -9.488   6.295  -0.916
  354   1HD   ARG  53          1HD       ARG  53 -11.230   6.584   0.839
  355   2HD   ARG  53          2HD       ARG  53 -12.402   6.946  -0.432
  356    HE   ARG  53           HE       ARG  53 -10.806   4.392  -0.184
  357   1HH1  ARG  53          1HH2      ARG  53 -14.000   5.844  -0.828
  358   2HH1  ARG  53          2HH2      ARG  53 -14.744   4.288  -1.068
  359   1HH2  ARG  53          2HH1      ARG  53 -11.740   2.487  -0.551
  360   2HH2  ARG  53          1HH1      ARG  53 -13.456   2.322  -0.783
  361    H    LYS  54           HN       LYS  54  -7.176   9.809  -0.860
  362    HA   LYS  54           HA       LYS  54  -5.017   9.474  -1.722
  363   1HB   LYS  54          1HB       LYS  54  -4.880   7.045  -0.041
  364   2HB   LYS  54          2HB       LYS  54  -3.598   7.780  -1.043
  365   1HG   LYS  54          2HG       LYS  54  -4.092  10.012   0.088
  366   2HG   LYS  54          1HG       LYS  54  -5.146   9.112   1.180
  367   1HD   LYS  54          2HD       LYS  54  -2.983   7.748   1.688
  368   2HD   LYS  54          1HD       LYS  54  -2.107   8.956   0.764
  369   1HE   LYS  54          2HE       LYS  54  -3.754   9.425   3.298
  370   2HE   LYS  54          1HE       LYS  54  -1.991   9.450   3.171
  371   1HZ   LYS  54          3HZ       LYS  54  -2.191  11.323   1.692
  372   2HZ   LYS  54          2HZ       LYS  54  -3.835  11.320   1.857
  373   3HZ   LYS  54          1HZ       LYS  54  -2.873  11.643   3.157
  374    H    ALA  55           H        ALA  55  -7.225   9.228  -2.964
  375    HA   ALA  55           HA       ALA  55  -8.315   7.569  -4.497
  376   1HB   ALA  55          2HB       ALA  55  -8.459   9.968  -4.915
  377   2HB   ALA  55          1HB       ALA  55  -6.897   9.947  -5.760
  378   3HB   ALA  55          3HB       ALA  55  -8.293   9.086  -6.445
  379    H    MET  56           H        MET  56  -5.095   8.465  -5.898
  380    HA   MET  56           HA       MET  56  -5.221   6.478  -7.938
  381   1HB   MET  56          1HB       MET  56  -2.820   7.808  -6.597
  382   2HB   MET  56          2HB       MET  56  -2.740   6.810  -8.058
  383   1HG   MET  56          2HG       MET  56  -4.248   8.362  -9.231
  384   2HG   MET  56          1HG       MET  56  -4.340   9.386  -7.790
  385   1HE   MET  56          1HE       MET  56  -3.636  10.452 -10.685
  386   2HE   MET  56          3HE       MET  56  -3.736  11.485  -9.235
  387   3HE   MET  56          2HE       MET  56  -2.309  11.571 -10.295
  388    H    MET  57           H        MET  57  -3.787   6.437  -4.692
  389    HA   MET  57           HA       MET  57  -2.691   3.766  -4.862
  390   1HB   MET  57          2HB       MET  57  -1.694   5.383  -3.413
  391   2HB   MET  57          1HB       MET  57  -3.213   5.706  -2.568
  392   1HG   MET  57          1HG       MET  57  -3.226   3.521  -1.578
  393   2HG   MET  57          2HG       MET  57  -1.884   2.974  -2.587
  394   1HE   MET  57          1HE       MET  57  -2.903   5.826  -0.162
  395   2HE   MET  57          2HE       MET  57  -1.407   6.185   0.731
  396   3HE   MET  57          3HE       MET  57  -1.563   6.699  -0.965
  397    H    THR  58           H        THR  58  -5.740   5.297  -3.600
  398    HA   THR  58           HA       THR  58  -6.931   3.026  -2.528
  399    HB   THR  58           HB       THR  58  -8.552   4.924  -4.230
  400    HG1  THR  58           HG1      THR  58  -7.472   5.601  -1.685
  401   1HG2  THR  58          2HG2      THR  58  -9.534   2.982  -2.875
  402   2HG2  THR  58          3HG2      THR  58  -9.037   3.892  -1.434
  403   3HG2  THR  58          1HG2      THR  58 -10.207   4.585  -2.584
  404    H    ASN  59           H        ASN  59  -7.063   4.212  -5.930
  405    HA   ASN  59           HA       ASN  59  -8.666   2.140  -6.978
  406   1HB   ASN  59          2HB       ASN  59  -7.999   4.333  -8.071
  407   2HB   ASN  59          1HB       ASN  59  -6.446   3.597  -8.471
  408   1HD2  ASN  59          1HD2      ASN  59  -8.461   1.189 -10.674
  409   2HD2  ASN  59          2HD2      ASN  59  -7.704   0.825  -9.139
  410    H    ALA  60           H        ALA  60  -5.090   2.400  -6.592
  411    HA   ALA  60           HA       ALA  60  -4.459   0.010  -7.991
  412   1HB   ALA  60          2HB       ALA  60  -2.795   1.716  -7.356
  413   2HB   ALA  60          1HB       ALA  60  -2.947   1.244  -5.649
  414   3HB   ALA  60          3HB       ALA  60  -2.329   0.083  -6.838
  415    H    VAL  61           H        VAL  61  -4.920   0.507  -4.430
  416    HA   VAL  61           HA       VAL  61  -4.689  -2.319  -3.915
  417    HB   VAL  61           HB       VAL  61  -5.436  -1.856  -1.674
  418   1HG1  VAL  61          3HG2      VAL  61  -3.100  -1.378  -2.366
  419   2HG1  VAL  61          2HG2      VAL  61  -3.529   0.316  -2.666
  420   3HG1  VAL  61          1HG2      VAL  61  -3.635  -0.342  -1.026
  421   1HG2  VAL  61          1HG1      VAL  61  -7.202  -0.143  -2.122
  422   2HG2  VAL  61          2HG1      VAL  61  -6.027   0.353  -0.899
  423   3HG2  VAL  61          3HG1      VAL  61  -5.923   1.012  -2.531
  424    H    LYS  62           HN       LYS  62  -7.529  -0.256  -4.599
  425    HA   LYS  62           HA       LYS  62  -9.496  -2.125  -3.833
  426   1HB   LYS  62          2HB       LYS  62  -9.832   0.270  -4.260
  427   2HB   LYS  62          1HB       LYS  62  -9.643   0.004  -6.002
  428   1HG   LYS  62          2HG       LYS  62 -11.641  -1.393  -6.043
  429   2HG   LYS  62          1HG       LYS  62 -11.783  -1.351  -4.281
  430   1HD   LYS  62          2HD       LYS  62 -11.878   1.168  -6.001
  431   2HD   LYS  62          1HD       LYS  62 -13.320   0.212  -5.620
  432   1HE   LYS  62          1HE       LYS  62 -12.996   0.549  -3.216
  433   2HE   LYS  62          2HE       LYS  62 -11.507   1.461  -3.494
  434   1HZ   LYS  62          3HZ       LYS  62 -12.787   3.079  -4.686
  435   2HZ   LYS  62          2HZ       LYS  62 -14.179   2.247  -4.388
  436   3HZ   LYS  62          1HZ       LYS  62 -13.323   2.900  -3.140
  437    H    LYS  63           HN       LYS  63  -7.494  -1.979  -6.800
  438    HA   LYS  63           HA       LYS  63  -9.104  -3.947  -8.199
  439   1HB   LYS  63          1HB       LYS  63  -6.781  -2.171  -8.685
  440   2HB   LYS  63          2HB       LYS  63  -6.604  -3.756  -9.375
  441   1HG   LYS  63          2HG       LYS  63  -7.658  -2.162 -10.934
  442   2HG   LYS  63          1HG       LYS  63  -8.726  -3.534 -10.598
  443   1HD   LYS  63          1HD       LYS  63 -10.092  -2.186  -9.071
  444   2HD   LYS  63          2HD       LYS  63  -8.917  -0.878  -9.113
  445   1HE   LYS  63          1HE       LYS  63  -9.401  -0.616 -11.595
  446   2HE   LYS  63          2HE       LYS  63 -10.636  -1.875 -11.438
  447   1HZ   LYS  63          1HZ       LYS  63 -10.616   0.687  -9.997
  448   2HZ   LYS  63          2HZ       LYS  63 -11.562   0.313 -11.294
  449   3HZ   LYS  63          3HZ       LYS  63 -11.770  -0.483  -9.867
  450    H    ALA  64           H        ALA  64  -7.016  -4.211  -5.535
  451    HA   ALA  64           HA       ALA  64  -5.747  -6.760  -6.289
  452   1HB   ALA  64          1HB       ALA  64  -4.773  -4.789  -4.859
  453   2HB   ALA  64          3HB       ALA  64  -5.824  -5.408  -3.581
  454   3HB   ALA  64          2HB       ALA  64  -4.557  -6.429  -4.236
  455    H    SER  65           H        SER  65  -6.647  -8.745  -5.706
  456    HA   SER  65           HA       SER  65  -9.334  -8.786  -4.495
  457   1HB   SER  65          1HB       SER  65  -8.963 -11.305  -4.790
  458   2HB   SER  65          2HB       SER  65  -8.981 -10.325  -6.270
  459    HG   SER  65           HG       SER  65  -7.196 -11.743  -6.258
  460    H    ASP  66           HN       ASP  66  -9.601 -10.401  -2.563
  461    HA   ASP  66           HA       ASP  66  -8.391  -9.379  -0.332
  462   1HB   ASP  66          2HB       ASP  66  -9.231 -11.213   0.919
  463   2HB   ASP  66          1HB       ASP  66 -10.405 -10.825  -0.338
  464    H    GLU  67           HN       GLU  67  -7.176 -12.338  -2.090
  465    HA   GLU  67           HA       GLU  67  -5.048 -12.874  -0.403
  466   1HB   GLU  67          1HB       GLU  67  -5.493 -13.251  -3.411
  467   2HB   GLU  67          2HB       GLU  67  -4.272 -14.037  -2.432
  468   1HG   GLU  67          1HG       GLU  67  -7.274 -14.419  -2.116
  469   2HG   GLU  67          2HG       GLU  67  -6.121 -15.573  -2.770
  470    H    GLU  68           HN       GLU  68  -5.228 -10.721  -3.241
  471    HA   GLU  68           HA       GLU  68  -2.463 -10.003  -3.176
  472   1HB   GLU  68          1HB       GLU  68  -4.882  -8.592  -4.313
  473   2HB   GLU  68          2HB       GLU  68  -3.230  -8.201  -4.720
  474   1HG   GLU  68          2HG       GLU  68  -4.725 -10.768  -5.329
  475   2HG   GLU  68          1HG       GLU  68  -4.277  -9.509  -6.461
  476    H    LEU  69           H        LEU  69  -5.417  -8.600  -1.661
  477    HA   LEU  69           HA       LEU  69  -4.224  -6.239  -0.703
  478   1HB   LEU  69          1HB       LEU  69  -6.347  -7.947   0.661
  479   2HB   LEU  69          2HB       LEU  69  -5.893  -6.343   1.189
  480    HG   LEU  69           HG       LEU  69  -7.205  -6.988  -1.475
  481   1HD1  LEU  69          3HD2      LEU  69  -8.684  -7.324   0.539
  482   2HD1  LEU  69          1HD2      LEU  69  -8.321  -5.668   1.046
  483   3HD1  LEU  69          2HD2      LEU  69  -9.202  -5.955  -0.464
  484   1HD2  LEU  69          1HD1      LEU  69  -5.843  -4.827  -1.467
  485   2HD2  LEU  69          3HD1      LEU  69  -7.570  -4.630  -1.762
  486   3HD2  LEU  69          2HD1      LEU  69  -6.915  -4.244  -0.176
  487    H    LYS  70           HN       LYS  70  -4.493  -9.444   0.844
  488    HA   LYS  70           HA       LYS  70  -2.944  -8.864   3.185
  489   1HB   LYS  70          2HB       LYS  70  -3.359 -11.475   1.683
  490   2HB   LYS  70          1HB       LYS  70  -2.757 -11.346   3.338
  491   1HG   LYS  70          2HG       LYS  70  -4.870 -10.618   4.180
  492   2HG   LYS  70          1HG       LYS  70  -5.484 -10.226   2.572
  493   1HD   LYS  70          2HD       LYS  70  -5.275 -12.663   1.941
  494   2HD   LYS  70          1HD       LYS  70  -4.909 -13.022   3.638
  495   1HE   LYS  70          2HE       LYS  70  -7.125 -12.133   4.294
  496   2HE   LYS  70          1HE       LYS  70  -7.431 -11.614   2.625
  497   1HZ   LYS  70          2HZ       LYS  70  -7.326 -13.909   1.948
  498   2HZ   LYS  70          3HZ       LYS  70  -7.093 -14.390   3.506
  499   3HZ   LYS  70          1HZ       LYS  70  -8.508 -13.666   3.069
  500    H    ALA  71           H        ALA  71  -2.051 -10.363   0.061
  501    HA   ALA  71           HA       ALA  71   0.638 -10.799   0.726
  502   1HB   ALA  71          2HB       ALA  71  -0.557 -11.901  -1.151
  503   2HB   ALA  71          1HB       ALA  71  -0.564 -10.354  -2.033
  504   3HB   ALA  71          3HB       ALA  71   0.973 -11.161  -1.669
  505    H    LEU  72           H        LEU  72  -0.890  -7.756  -0.528
  506    HA   LEU  72           HA       LEU  72   1.611  -6.659  -1.393
  507   1HB   LEU  72          1HB       LEU  72  -1.169  -5.901  -1.181
  508   2HB   LEU  72          2HB       LEU  72  -0.206  -4.611  -0.496
  509    HG   LEU  72           HG       LEU  72   0.184  -5.856  -3.257
  510   1HD1  LEU  72          1HD2      LEU  72  -1.259  -3.323  -2.401
  511   2HD1  LEU  72          2HD2      LEU  72  -0.889  -3.742  -4.080
  512   3HD1  LEU  72          3HD2      LEU  72  -1.983  -4.768  -3.137
  513   1HD2  LEU  72          1HD1      LEU  72   2.247  -4.732  -2.366
  514   2HD2  LEU  72          3HD1      LEU  72   1.553  -3.899  -3.765
  515   3HD2  LEU  72          2HD1      LEU  72   1.299  -3.248  -2.143
  516    H    ALA  73           H        ALA  73  -0.349  -6.382   1.620
  517    HA   ALA  73           HA       ALA  73   1.498  -4.929   3.136
  518   1HB   ALA  73          1HB       ALA  73  -0.796  -5.365   3.824
  519   2HB   ALA  73          3HB       ALA  73  -0.457  -7.093   4.039
  520   3HB   ALA  73          2HB       ALA  73   0.328  -5.909   5.092
  521    H    ASP  74           HN       ASP  74   1.192  -8.529   2.981
  522    HA   ASP  74           HA       ASP  74   3.339  -9.171   4.644
  523   1HB   ASP  74          1HB       ASP  74   1.823 -10.858   3.739
  524   2HB   ASP  74          2HB       ASP  74   2.419 -10.552   2.097
  525    H    TYR  75           H        TYR  75   3.476  -8.552   1.100
  526    HA   TYR  75           HA       TYR  75   6.253  -8.973   0.793
  527   1HB   TYR  75          1HB       TYR  75   4.485  -8.823  -0.992
  528   2HB   TYR  75          2HB       TYR  75   4.431  -7.091  -0.778
  529    HD1  TYR  75           HD2      TYR  75   6.957  -9.830  -1.380
  530    HD2  TYR  75           HD1      TYR  75   5.757  -5.773  -2.228
  531    HE1  TYR  75           HE2      TYR  75   8.835  -9.608  -2.971
  532    HE2  TYR  75           HE1      TYR  75   7.579  -5.601  -3.905
  533    HH   TYR  75           HH       TYR  75   9.919  -8.225  -4.472
  534    H    MET  76           H        MET  76   4.417  -5.883   1.208
  535    HA   MET  76           HA       MET  76   6.618  -4.151   1.230
  536   1HB   MET  76          2HB       MET  76   3.738  -4.140   2.189
  537   2HB   MET  76          1HB       MET  76   4.824  -2.832   2.541
  538   1HG   MET  76          1HG       MET  76   5.369  -2.610   0.108
  539   2HG   MET  76          2HG       MET  76   4.193  -3.870  -0.246
  540   1HE   MET  76          3HE       MET  76   1.773  -3.657  -0.001
  541   2HE   MET  76          1HE       MET  76   1.662  -3.033   1.657
  542   3HE   MET  76          2HE       MET  76   0.805  -2.210   0.327
  543    H    SER  77           H        SER  77   5.220  -6.106   3.877
  544    HA   SER  77           HA       SER  77   6.912  -4.802   5.863
  545   1HB   SER  77          2HB       SER  77   4.637  -6.138   6.113
  546   2HB   SER  77          1HB       SER  77   5.704  -7.539   6.250
  547    HG   SER  77           HG       SER  77   5.983  -5.143   7.775
  548    H    LYS  78           HN       LYS  78   8.016  -6.452   3.278
  549    HA   LYS  78           HA       LYS  78  10.267  -7.706   4.709
  550   1HB   LYS  78          1HB       LYS  78   8.442  -9.360   4.293
  551   2HB   LYS  78          2HB       LYS  78   8.508  -8.970   2.560
  552   1HG   LYS  78          2HG       LYS  78  10.669  -9.983   2.337
  553   2HG   LYS  78          1HG       LYS  78  10.906 -10.025   4.093
  554   1HD   LYS  78          2HD       LYS  78  10.349 -12.231   3.159
  555   2HD   LYS  78          1HD       LYS  78   9.178 -11.703   4.373
  556   1HE   LYS  78          2HE       LYS  78   8.646 -11.273   1.401
  557   2HE   LYS  78          1HE       LYS  78   8.338 -12.836   2.172
  558   1HZ   LYS  78          3HZ       LYS  78   6.909 -11.746   3.738
  559   2HZ   LYS  78          1HZ       LYS  78   7.080 -10.306   2.967
  560   3HZ   LYS  78          2HZ       LYS  78   6.374 -11.575   2.198
  561    H    LEU  79           H        LEU  79  10.036  -5.122   3.592
  562    HA   LEU  79           HA       LEU  79  11.833  -5.167   1.313
  563   1HB   LEU  79          1HB       LEU  79   8.941  -4.338   1.528
  564   2HB   LEU  79          2HB       LEU  79   9.978  -3.083   0.988
  565    HG   LEU  79           HG       LEU  79   9.394  -5.766  -0.325
  566   1HD1  LEU  79          2HD2      LEU  79   9.062  -2.849  -1.184
  567   2HD1  LEU  79          3HD2      LEU  79   8.654  -4.247  -2.192
  568   3HD1  LEU  79          1HD2      LEU  79   7.763  -3.953  -0.693
  569   1HD2  LEU  79          1HD1      LEU  79  11.558  -3.776  -1.123
  570   2HD2  LEU  79          2HD1      LEU  79  11.748  -5.517  -0.811
  571   3HD2  LEU  79          3HD1      LEU  79  10.875  -4.975  -2.238
  572    HHA  HEC   1           HHA      HEM   1   1.925   4.859   3.365
  573    HHB  HEC   1           HHB      HEM   1   0.135  -0.012  -0.388
  574    HHC  HEC   1           HHC      HEM   1   1.344   3.706  -5.452
  575    HHD  HEC   1           HHD      HEM   1   1.315   8.770  -1.561
  576   1HMA  HEC   1          1HMA      HEM   1   0.005  -0.159   3.361
  577   2HMA  HEC   1          2HMA      HEM   1  -0.414  -0.506   1.692
  578   3HMA  HEC   1          3HMA      HEM   1   1.252  -0.763   2.255
  579   1HAA  HEC   1          1HAA      HEM   1   2.064   1.339   4.408
  580   2HAA  HEC   1          2HAA      HEM   1   2.161   3.044   4.502
  581   1HBA  HEC   1          1HBA      HEM   1  -0.452   1.474   4.748
  582   2HBA  HEC   1          2HBA      HEM   1   0.555   1.920   6.129
  583   1HMB  HEC   1          1HMB      HEM   1  -1.063  -0.869  -3.815
  584   2HMB  HEC   1          2HMB      HEM   1  -0.793  -0.983  -2.079
  585   3HMB  HEC   1          3HMB      HEM   1   0.520  -1.388  -3.204
  586    HAB  HEC   1           HAB      HEM   1  -0.177   0.175  -5.636
  587   1HBB  HEC   1          1HBB      HEM   1   1.136   2.376  -7.105
  588   2HBB  HEC   1          2HBB      HEM   1  -0.528   2.506  -6.499
  589   3HBB  HEC   1          3HBB      HEM   1  -0.045   1.185  -7.570
  590   1HMC  HEC   1          1HMC      HEM   1   1.756   7.225  -6.712
  591   2HMC  HEC   1          2HMC      HEM   1   0.845   5.732  -6.629
  592   3HMC  HEC   1          3HMC      HEM   1   2.615   5.679  -6.546
  593    HAC  HEC   1           HAC      HEM   1   2.358   9.394  -3.351
  594   1HBC  HEC   1          1HBC      HEM   1   0.990   9.350  -5.527
  595   2HBC  HEC   1          2HBC      HEM   1   2.587   9.145  -6.307
  596   3HBC  HEC   1          3HBC      HEM   1   2.287  10.540  -5.287
  597   1HMD  HEC   1          1HMD      HEM   1   0.169   9.773   0.229
  598   2HMD  HEC   1          2HMD      HEM   1   0.454   9.889   1.961
  599   3HMD  HEC   1          3HMD      HEM   1   1.823  10.011   0.843
  600   1HAD  HEC   1          1HAD      HEM   1  -0.485   7.431   3.579
  601   2HAD  HEC   1          2HAD      HEM   1   0.802   8.599   3.701
  602   1HBD  HEC   1          1HBD      HEM   1   0.718   5.797   4.819
  603   2HBD  HEC   1          2HBD      HEM   1   2.248   6.640   4.699
   
  No H/Q in entry =         603
  Start of MODEL   30
    1   1H    ALA   1          3H        ALA   1  -3.358 -13.239  -8.142
    2   2H    ALA   1          2H        ALA   1  -4.193 -11.870  -7.963
    3   3H    ALA   1          1H        ALA   1  -3.978 -12.483  -9.497
    4    HA   ALA   1           HA       ALA   1  -1.652 -12.123  -9.439
    5   1HB   ALA   1          3HB       ALA   1  -3.004 -10.090  -9.966
    6   2HB   ALA   1          1HB       ALA   1  -2.988  -9.649  -8.246
    7   3HB   ALA   1          2HB       ALA   1  -1.475  -9.690  -9.173
    8    H    ASP   2           HN       ASP   2  -0.136 -10.376  -7.659
    9    HA   ASP   2           HA       ASP   2  -0.470 -11.478  -4.987
   10   1HB   ASP   2          1HB       ASP   2   1.333 -12.848  -4.884
   11   2HB   ASP   2          2HB       ASP   2   1.065 -13.062  -6.612
   12    H    GLY   3           H        GLY   3   0.884 -10.440  -3.479
   13   1HA   GLY   3          2HA       GLY   3   1.121  -7.771  -3.386
   14   2HA   GLY   3          1HA       GLY   3   2.261  -8.853  -2.575
   15    H    ALA   4           H        ALA   4   3.861  -9.889  -4.484
   16    HA   ALA   4           HA       ALA   4   5.674  -7.767  -4.966
   17   1HB   ALA   4          2HB       ALA   4   6.331 -10.147  -4.773
   18   2HB   ALA   4          1HB       ALA   4   5.555 -10.488  -6.336
   19   3HB   ALA   4          3HB       ALA   4   6.951  -9.397  -6.257
   20    H    ALA   5           H        ALA   5   3.487  -9.475  -7.285
   21    HA   ALA   5           HA       ALA   5   4.225  -7.949  -9.559
   22   1HB   ALA   5          3HB       ALA   5   2.969 -10.053  -9.697
   23   2HB   ALA   5          1HB       ALA   5   1.567  -9.290  -8.913
   24   3HB   ALA   5          2HB       ALA   5   2.101  -8.740 -10.514
   25    H    LEU   6           H        LEU   6   1.676  -7.410  -7.101
   26    HA   LEU   6           HA       LEU   6   0.455  -5.160  -8.345
   27   1HB   LEU   6          1HB       LEU   6   0.623  -5.958  -5.459
   28   2HB   LEU   6          2HB       LEU   6  -0.448  -4.697  -6.080
   29    HG   LEU   6           HG       LEU   6  -0.537  -7.453  -7.365
   30   1HD1  LEU   6          1HD1      LEU   6  -0.643  -7.689  -4.849
   31   2HD1  LEU   6          2HD1      LEU   6  -2.097  -6.680  -4.904
   32   3HD1  LEU   6          3HD1      LEU   6  -2.038  -8.251  -5.780
   33   1HD2  LEU   6          2HD2      LEU   6  -2.677  -5.355  -6.822
   34   2HD2  LEU   6          3HD2      LEU   6  -1.876  -5.638  -8.387
   35   3HD2  LEU   6          1HD2      LEU   6  -2.901  -6.897  -7.670
   36    H    TYR   7           H        TYR   7   2.923  -5.371  -5.780
   37    HA   TYR   7           HA       TYR   7   3.274  -2.866  -4.913
   38   1HB   TYR   7          2HB       TYR   7   4.546  -4.914  -4.262
   39   2HB   TYR   7          1HB       TYR   7   5.588  -4.695  -5.644
   40    HD1  TYR   7           HD1      TYR   7   4.380  -2.964  -2.533
   41    HD2  TYR   7           HD2      TYR   7   7.396  -3.122  -5.612
   42    HE1  TYR   7           HE1      TYR   7   5.531  -1.014  -1.516
   43    HE2  TYR   7           HE2      TYR   7   8.545  -1.197  -4.581
   44    HH   TYR   7           HH       TYR   7   8.373   0.494  -3.056
   45    H    LYS   8           HN       LYS   8   4.620  -4.096  -7.962
   46    HA   LYS   8           HA       LYS   8   6.389  -2.216  -8.763
   47   1HB   LYS   8          1HB       LYS   8   4.228  -3.773 -10.242
   48   2HB   LYS   8          2HB       LYS   8   5.561  -2.924 -10.990
   49   1HG   LYS   8          2HG       LYS   8   7.219  -4.277  -9.811
   50   2HG   LYS   8          1HG       LYS   8   5.935  -5.181  -8.991
   51   1HD   LYS   8          2HD       LYS   8   5.038  -5.902 -11.201
   52   2HD   LYS   8          1HD       LYS   8   6.407  -5.114 -12.002
   53   1HE   LYS   8          1HE       LYS   8   6.599  -7.366  -9.933
   54   2HE   LYS   8          2HE       LYS   8   6.756  -7.564 -11.686
   55   1HZ   LYS   8          2HZ       LYS   8   8.667  -6.123 -11.610
   56   2HZ   LYS   8          1HZ       LYS   8   8.534  -5.978  -9.973
   57   3HZ   LYS   8          3HZ       LYS   8   8.874  -7.442 -10.643
   58    H    SER   9           H        SER   9   2.800  -1.931  -8.877
   59    HA   SER   9           HA       SER   9   2.839   0.503 -10.455
   60   1HB   SER   9          1HB       SER   9   0.456   0.625  -9.898
   61   2HB   SER   9          2HB       SER   9   0.913  -0.984 -10.481
   62    HG   SER   9           HG       SER   9   0.971  -1.656  -8.251
   63    H    CYS  10           H        CYS  10   3.427  -0.088  -7.119
   64    HA   CYS  10           HA       CYS  10   2.582   2.538  -6.140
   65   1HB   CYS  10          2HB       CYS  10   4.160   0.473  -4.652
   66   2HB   CYS  10          1HB       CYS  10   3.024   1.616  -3.994
   67    H    ILE  11           H        ILE  11   5.421   0.993  -7.379
   68    HA   ILE  11           HA       ILE  11   7.494   2.511  -6.165
   69    HB   ILE  11           HB       ILE  11   7.263   1.438  -8.989
   70   1HG1  ILE  11          2HG1      ILE  11   8.492   0.221  -6.463
   71   2HG1  ILE  11          1HG1      ILE  11   7.006  -0.326  -7.240
   72   1HG2  ILE  11          3HG2      ILE  11   9.091   3.090  -8.852
   73   2HG2  ILE  11          2HG2      ILE  11   9.765   2.240  -7.441
   74   3HG2  ILE  11          1HG2      ILE  11   9.746   1.485  -9.048
   75   1HD1  ILE  11          3HD1      ILE  11   8.380  -0.870  -9.302
   76   2HD1  ILE  11          1HD1      ILE  11   9.832  -0.597  -8.306
   77   3HD1  ILE  11          2HD1      ILE  11   8.689  -1.865  -7.861
   78    H    GLY  12           H        GLY  12   8.494   4.491  -6.920
   79   1HA   GLY  12          1HA       GLY  12   8.489   6.500  -8.180
   80   2HA   GLY  12          2HA       GLY  12   6.820   6.227  -8.700
   81    H    CYS  13           H        CYS  13   5.560   5.533  -6.142
   82    HA   CYS  13           HA       CYS  13   5.759   8.183  -4.789
   83   1HB   CYS  13          1HB       CYS  13   3.711   5.972  -4.904
   84   2HB   CYS  13          2HB       CYS  13   3.824   7.070  -3.540
   85    H    HIS  14           HN       HIS  14   5.979   4.646  -4.265
   86    HA   HIS  14           HA       HIS  14   7.197   5.104  -1.587
   87   1HB   HIS  14          2HB       HIS  14   6.063   2.674  -3.015
   88   2HB   HIS  14          1HB       HIS  14   6.773   2.654  -1.396
   89    HD1  HIS  14           HD1      HIS  14   5.723   4.376   0.395
   90    HD2  HIS  14           HD2      HIS  14   3.453   3.730  -3.052
   91    HE1  HIS  14           HE1      HIS  14   3.394   5.075   0.937
   92    H    GLY  15           H        GLY  15   8.238   4.405  -4.780
   93   1HA   GLY  15          2HA       GLY  15  10.395   3.938  -5.562
   94   2HA   GLY  15          1HA       GLY  15  10.995   4.082  -3.895
   95    H    ALA  16           H        ALA  16  12.314   2.146  -4.564
   96    HA   ALA  16           HA       ALA  16  10.974  -0.360  -5.089
   97   1HB   ALA  16          3HB       ALA  16  13.850   0.241  -4.282
   98   2HB   ALA  16          1HB       ALA  16  13.227  -1.329  -4.834
   99   3HB   ALA  16          2HB       ALA  16  13.212   0.066  -5.929
  100    H    ASP  17           HN       ASP  17  13.025   0.549  -2.255
  101    HA   ASP  17           HA       ASP  17  11.874  -1.658  -0.721
  102   1HB   ASP  17          1HB       ASP  17  13.603  -1.257   0.820
  103   2HB   ASP  17          2HB       ASP  17  14.304  -1.330  -0.798
  104    H    GLY  18           H        GLY  18   9.938  -0.001  -1.163
  105   1HA   GLY  18          1HA       GLY  18   8.388   1.578  -0.414
  106   2HA   GLY  18          2HA       GLY  18   8.427   0.476   0.963
  107    H    SER  19           H        SER  19  10.967   2.773  -0.029
  108    HA   SER  19           HA       SER  19  11.225   3.777   2.668
  109   1HB   SER  19          2HB       SER  19  13.289   4.752   1.378
  110   2HB   SER  19          1HB       SER  19  13.165   2.999   1.631
  111    HG   SER  19           HG       SER  19  13.496   3.072  -0.496
  112    H    LYS  20           HN       LYS  20  10.734   5.199  -0.687
  113    HA   LYS  20           HA       LYS  20  10.905   7.783  -0.011
  114   1HB   LYS  20          1HB       LYS  20  10.809   6.517  -2.268
  115   2HB   LYS  20          2HB       LYS  20   9.042   6.559  -2.083
  116   1HG   LYS  20          2HG       LYS  20   9.214   8.959  -1.716
  117   2HG   LYS  20          1HG       LYS  20  10.971   8.866  -2.027
  118   1HD   LYS  20          1HD       LYS  20  10.579   8.199  -4.349
  119   2HD   LYS  20          2HD       LYS  20   8.839   8.016  -4.051
  120   1HE   LYS  20          2HE       LYS  20   8.606  10.425  -3.622
  121   2HE   LYS  20          1HE       LYS  20  10.346  10.664  -3.885
  122   1HZ   LYS  20          2HZ       LYS  20   8.455   9.617  -5.875
  123   2HZ   LYS  20          3HZ       LYS  20   9.009  11.172  -5.816
  124   3HZ   LYS  20          1HZ       LYS  20  10.053   9.931  -6.125
  125    H    ALA  21           H        ALA  21   9.723   9.087   1.181
  126    HA   ALA  21           HA       ALA  21   7.346   8.279   2.584
  127   1HB   ALA  21          1HB       ALA  21   9.162   9.625   3.560
  128   2HB   ALA  21          2HB       ALA  21   8.863  10.920   2.378
  129   3HB   ALA  21          3HB       ALA  21   7.650  10.534   3.602
  130    H    ALA  22           H        ALA  22   6.622   8.079  -0.063
  131    HA   ALA  22           HA       ALA  22   5.128   8.712  -1.644
  132   1HB   ALA  22          2HB       ALA  22   3.629   8.656   0.336
  133   2HB   ALA  22          3HB       ALA  22   3.843  10.417   0.501
  134   3HB   ALA  22          1HB       ALA  22   3.088   9.741  -0.953
  135    H    MET  23           H        MET  23   3.862  11.092  -2.334
  136    HA   MET  23           HA       MET  23   6.149  12.733  -3.212
  137   1HB   MET  23          2HB       MET  23   3.156  12.935  -3.752
  138   2HB   MET  23          1HB       MET  23   4.414  13.931  -4.503
  139   1HG   MET  23          1HG       MET  23   4.164  10.910  -4.772
  140   2HG   MET  23          2HG       MET  23   3.698  12.111  -5.976
  141   1HE   MET  23          1HE       MET  23   5.419   9.682  -6.764
  142   2HE   MET  23          3HE       MET  23   5.038  10.996  -7.905
  143   3HE   MET  23          2HE       MET  23   6.715  10.427  -7.724
  144    H    GLY  24           H        GLY  24   6.424  12.955  -0.666
  145   1HA   GLY  24          2HA       GLY  24   6.166  15.637   0.002
  146   2HA   GLY  24          1HA       GLY  24   4.701  14.887   0.654
  147    H    SER  25           H        SER  25   4.854  13.874   2.630
  148    HA   SER  25           HA       SER  25   7.400  12.809   3.610
  149   1HB   SER  25          1HB       SER  25   6.089  15.126   5.086
  150   2HB   SER  25          2HB       SER  25   7.499  14.176   5.586
  151    HG   SER  25           HG       SER  25   8.114  14.979   3.199
  152    H    ALA  26           H        ALA  26   5.455  11.285   3.024
  153    HA   ALA  26           HA       ALA  26   3.494  10.855   5.184
  154   1HB   ALA  26          2HB       ALA  26   2.956  10.496   2.782
  155   2HB   ALA  26          1HB       ALA  26   4.200   9.220   2.708
  156   3HB   ALA  26          3HB       ALA  26   2.777   9.021   3.732
  157    H    LYS  27           HN       LYS  27   3.424   8.650   6.328
  158    HA   LYS  27           HA       LYS  27   5.979   8.072   7.473
  159   1HB   LYS  27          1HB       LYS  27   3.700   6.074   7.456
  160   2HB   LYS  27          2HB       LYS  27   5.046   6.224   8.583
  161   1HG   LYS  27          2HG       LYS  27   4.088   8.594   9.104
  162   2HG   LYS  27          1HG       LYS  27   2.636   7.987   8.282
  163   1HD   LYS  27          2HD       LYS  27   3.957   6.653  10.685
  164   2HD   LYS  27          1HD       LYS  27   2.582   7.755  10.794
  165   1HE   LYS  27          1HE       LYS  27   2.567   5.102   9.276
  166   2HE   LYS  27          2HE       LYS  27   1.897   5.369  10.887
  167   1HZ   LYS  27          2HZ       LYS  27   0.991   6.741   8.451
  168   2HZ   LYS  27          3HZ       LYS  27   0.233   5.493   9.181
  169   3HZ   LYS  27          1HZ       LYS  27   0.369   6.941   9.965
  170    HA   PRO  28           HA       PRO  28   7.419   5.490   4.077
  171   1HB   PRO  28          1HB       PRO  28   9.216   4.361   6.267
  172   2HB   PRO  28          2HB       PRO  28   9.670   4.781   4.589
  173   1HG   PRO  28          2HG       PRO  28  10.279   6.486   6.621
  174   2HG   PRO  28          1HG       PRO  28   9.578   7.135   5.107
  175   1HD   PRO  28          2HD       PRO  28   8.139   6.548   7.716
  176   2HD   PRO  28          1HD       PRO  28   8.038   7.986   6.651
  177    H    VAL  29           H        VAL  29   7.197   3.293   3.488
  178    HA   VAL  29           HA       VAL  29   5.101   1.954   5.107
  179    HB   VAL  29           HB       VAL  29   6.137   1.465   2.289
  180   1HG1  VAL  29          2HG2      VAL  29   3.488   0.810   3.672
  181   2HG1  VAL  29          1HG2      VAL  29   3.813   0.576   1.948
  182   3HG1  VAL  29          3HG2      VAL  29   4.725  -0.371   3.141
  183   1HG2  VAL  29          2HG1      VAL  29   3.922   3.287   3.347
  184   2HG2  VAL  29          1HG1      VAL  29   5.303   3.758   2.338
  185   3HG2  VAL  29          3HG1      VAL  29   4.003   2.742   1.666
  186    H    LYS  30           HN       LYS  30   8.285   1.493   3.682
  187    HA   LYS  30           HA       LYS  30   8.941  -1.089   3.702
  188   1HB   LYS  30          1HB       LYS  30  10.385   0.838   3.261
  189   2HB   LYS  30          2HB       LYS  30  10.494   1.176   4.974
  190   1HG   LYS  30          1HG       LYS  30  11.433  -1.303   5.125
  191   2HG   LYS  30          2HG       LYS  30  11.519  -1.206   3.361
  192   1HD   LYS  30          2HD       LYS  30  12.976   0.865   3.648
  193   2HD   LYS  30          1HD       LYS  30  13.018   0.498   5.387
  194   1HE   LYS  30          1HE       LYS  30  14.037  -1.203   3.067
  195   2HE   LYS  30          2HE       LYS  30  15.001  -0.478   4.362
  196   1HZ   LYS  30          1HZ       LYS  30  13.820  -1.984   5.878
  197   2HZ   LYS  30          3HZ       LYS  30  13.033  -2.658   4.587
  198   3HZ   LYS  30          2HZ       LYS  30  14.665  -2.796   4.712
  199    H    GLY  31           H        GLY  31   8.042  -2.555   5.219
  200   1HA   GLY  31          2HA       GLY  31   7.855  -3.694   7.180
  201   2HA   GLY  31          1HA       GLY  31   9.354  -2.918   7.650
  202    H    GLN  32           H        GLN  32   6.179  -1.096   7.245
  203    HA   GLN  32           HA       GLN  32   6.300  -0.131   9.917
  204   1HB   GLN  32          1HB       GLN  32   3.581  -0.765   8.723
  205   2HB   GLN  32          2HB       GLN  32   4.053   0.513   9.839
  206   1HG   GLN  32          2HG       GLN  32   5.518   1.382   7.886
  207   2HG   GLN  32          1HG       GLN  32   4.546   0.272   6.894
  208   1HE2  GLN  32          1HE2      GLN  32   2.983   3.780   7.019
  209   2HE2  GLN  32          2HE2      GLN  32   4.692   3.447   7.120
  210    H    GLY  33           H        GLY  33   4.574  -2.711   8.643
  211   1HA   GLY  33          1HA       GLY  33   5.436  -4.981   9.845
  212   2HA   GLY  33          2HA       GLY  33   4.286  -4.446  11.075
  213    H    ALA  34           H        ALA  34   4.287  -6.704   9.043
  214    HA   ALA  34           HA       ALA  34   2.377  -6.590   7.158
  215   1HB   ALA  34          2HB       ALA  34   3.595  -8.612   7.818
  216   2HB   ALA  34          3HB       ALA  34   2.615  -8.728   9.298
  217   3HB   ALA  34          1HB       ALA  34   1.847  -8.924   7.697
  218    H    GLU  35           HN       GLU  35   1.563  -6.678  10.696
  219    HA   GLU  35           HA       GLU  35  -1.221  -6.920  10.395
  220   1HB   GLU  35          1HB       GLU  35   0.601  -5.688  12.538
  221   2HB   GLU  35          2HB       GLU  35  -1.116  -5.967  12.684
  222   1HG   GLU  35          1HG       GLU  35  -0.061  -7.784  13.791
  223   2HG   GLU  35          2HG       GLU  35  -0.772  -8.420  12.305
  224    H    GLU  36           HN       GLU  36   0.950  -4.015  10.715
  225    HA   GLU  36           HA       GLU  36  -1.056  -2.025  10.838
  226   1HB   GLU  36          2HB       GLU  36   1.937  -2.296  10.196
  227   2HB   GLU  36          1HB       GLU  36   1.132  -0.806  10.006
  228   1HG   GLU  36          2HG       GLU  36   1.151  -2.388  12.614
  229   2HG   GLU  36          1HG       GLU  36   2.382  -1.198  12.160
  230    H    LEU  37           H        LEU  37   1.144  -3.213   8.334
  231    HA   LEU  37           HA       LEU  37   0.268  -1.689   6.157
  232   1HB   LEU  37          1HB       LEU  37   1.575  -4.427   6.394
  233   2HB   LEU  37          2HB       LEU  37   1.338  -3.609   4.853
  234    HG   LEU  37           HG       LEU  37   2.847  -2.250   7.141
  235   1HD1  LEU  37          2HD2      LEU  37   3.925  -4.082   4.979
  236   2HD1  LEU  37          3HD2      LEU  37   4.931  -3.023   5.995
  237   3HD1  LEU  37          1HD2      LEU  37   4.010  -4.348   6.721
  238   1HD2  LEU  37          1HD1      LEU  37   2.780  -1.863   4.125
  239   2HD2  LEU  37          3HD1      LEU  37   2.153  -0.745   5.362
  240   3HD2  LEU  37          2HD1      LEU  37   3.886  -1.050   5.233
  241    H    TYR  38           HN       TYR  38  -0.782  -4.997   7.163
  242    HA   TYR  38           HA       TYR  38  -2.591  -5.377   5.049
  243   1HB   TYR  38          2HB       TYR  38  -1.853  -7.183   6.508
  244   2HB   TYR  38          1HB       TYR  38  -2.719  -6.458   7.864
  245    HD1  TYR  38           HD1      TYR  38  -3.633  -7.205   4.244
  246    HD2  TYR  38           HE2      TYR  38  -4.489  -7.894   8.422
  247    HE1  TYR  38           HD2      TYR  38  -5.530  -8.657   3.624
  248    HE2  TYR  38           HE1      TYR  38  -6.329  -9.412   7.788
  249    HH   TYR  38           HH       TYR  38  -7.373 -10.519   6.045
  250    H    LYS  39           HN       LYS  39  -3.187  -4.020   8.285
  251    HA   LYS  39           HA       LYS  39  -5.944  -3.564   7.849
  252   1HB   LYS  39          2HB       LYS  39  -4.613  -3.447  10.047
  253   2HB   LYS  39          1HB       LYS  39  -4.013  -1.885   9.554
  254   1HG   LYS  39          1HG       LYS  39  -5.793  -1.555  11.098
  255   2HG   LYS  39          2HG       LYS  39  -6.323  -0.965   9.518
  256   1HD   LYS  39          2HD       LYS  39  -7.645  -3.026   9.160
  257   2HD   LYS  39          1HD       LYS  39  -7.059  -3.697  10.691
  258   1HE   LYS  39          2HE       LYS  39  -8.731  -1.153  10.368
  259   2HE   LYS  39          1HE       LYS  39  -9.360  -2.743  10.827
  260   1HZ   LYS  39          2HZ       LYS  39  -7.968  -2.670  12.771
  261   2HZ   LYS  39          3HZ       LYS  39  -7.424  -1.167  12.368
  262   3HZ   LYS  39          1HZ       LYS  39  -9.012  -1.397  12.730
  263    H    LYS  40           HN       LYS  40  -3.210  -1.283   7.524
  264    HA   LYS  40           HA       LYS  40  -4.663   0.953   6.601
  265   1HB   LYS  40          1HB       LYS  40  -1.805  -0.075   6.292
  266   2HB   LYS  40          2HB       LYS  40  -2.347   1.514   5.790
  267   1HG   LYS  40          2HG       LYS  40  -2.845   2.220   7.995
  268   2HG   LYS  40          1HG       LYS  40  -2.809   0.573   8.643
  269   1HD   LYS  40          1HD       LYS  40  -0.375   0.410   8.175
  270   2HD   LYS  40          2HD       LYS  40  -0.370   2.049   7.577
  271   1HE   LYS  40          2HE       LYS  40  -1.088   1.185  10.416
  272   2HE   LYS  40          1HE       LYS  40   0.431   1.937   9.893
  273   1HZ   LYS  40          2HZ       LYS  40  -0.854   3.854   9.213
  274   2HZ   LYS  40          3HZ       LYS  40  -2.225   3.176   9.824
  275   3HZ   LYS  40          1HZ       LYS  40  -0.980   3.556  10.835
  276    H    MET  41           H        MET  41  -2.924  -1.597   4.714
  277    HA   MET  41           HA       MET  41  -3.588  -0.417   2.217
  278   1HB   MET  41          1HB       MET  41  -2.632  -2.149   1.172
  279   2HB   MET  41          2HB       MET  41  -1.674  -1.984   2.635
  280   1HG   MET  41          1HG       MET  41  -1.824  -4.339   2.308
  281   2HG   MET  41          2HG       MET  41  -3.076  -3.968   3.525
  282   1HE   MET  41          3HE       MET  41  -2.286  -3.911  -0.090
  283   2HE   MET  41          2HE       MET  41  -3.558  -4.781  -0.935
  284   3HE   MET  41          1HE       MET  41  -3.893  -3.162  -0.321
  285    H    LYS  42           HN       LYS  42  -5.238  -2.949   4.194
  286    HA   LYS  42           HA       LYS  42  -7.305  -3.411   2.265
  287   1HB   LYS  42          2HB       LYS  42  -6.878  -4.868   4.180
  288   2HB   LYS  42          1HB       LYS  42  -7.425  -3.607   5.305
  289   1HG   LYS  42          1HG       LYS  42  -9.671  -3.627   4.262
  290   2HG   LYS  42          2HG       LYS  42  -9.140  -4.834   3.086
  291   1HD   LYS  42          1HD       LYS  42  -9.271  -5.229   6.116
  292   2HD   LYS  42          2HD       LYS  42 -10.477  -5.783   4.942
  293   1HE   LYS  42          2HE       LYS  42  -8.644  -7.146   3.814
  294   2HE   LYS  42          1HE       LYS  42  -7.588  -6.729   5.178
  295   1HZ   LYS  42          3HZ       LYS  42  -9.159  -7.768   6.633
  296   2HZ   LYS  42          1HZ       LYS  42 -10.142  -8.156   5.365
  297   3HZ   LYS  42          2HZ       LYS  42  -8.637  -8.821   5.474
  298    H    GLY  43           H        GLY  43  -6.852  -1.058   4.889
  299   1HA   GLY  43          2HA       GLY  43  -9.210   0.388   4.943
  300   2HA   GLY  43          1HA       GLY  43  -7.590   1.043   5.196
  301    H    TYR  44           H        TYR  44  -6.352   0.936   2.837
  302    HA   TYR  44           HA       TYR  44  -7.755   2.930   1.257
  303   1HB   TYR  44          1HB       TYR  44  -5.098   1.511   0.895
  304   2HB   TYR  44          2HB       TYR  44  -5.756   2.614  -0.322
  305    HD1  TYR  44           HD1      TYR  44  -6.788   4.934   0.828
  306    HD2  TYR  44           HD2      TYR  44  -3.193   2.795   1.750
  307    HE1  TYR  44           HE1      TYR  44  -6.036   6.779   2.190
  308    HE2  TYR  44           HE2      TYR  44  -2.414   4.734   3.079
  309    HH   TYR  44           HH       TYR  44  -3.172   6.551   4.358
  310    H    ALA  45           H        ALA  45  -7.230  -0.614   0.760
  311    HA   ALA  45           HA       ALA  45  -8.165  -0.593  -1.910
  312   1HB   ALA  45          2HB       ALA  45  -7.037  -2.527  -0.874
  313   2HB   ALA  45          1HB       ALA  45  -8.430  -2.778   0.204
  314   3HB   ALA  45          3HB       ALA  45  -8.613  -2.997  -1.546
  315    H    ASP  46           HN       ASP  46  -9.915  -0.965   1.169
  316    HA   ASP  46           HA       ASP  46 -12.558  -1.102  -0.006
  317   1HB   ASP  46          2HB       ASP  46 -12.151  -2.003   2.205
  318   2HB   ASP  46          1HB       ASP  46 -11.520  -0.454   2.783
  319    H    GLY  47           H        GLY  47 -10.516   1.485   1.378
  320   1HA   GLY  47          1HA       GLY  47 -10.432   3.675   0.576
  321   2HA   GLY  47          2HA       GLY  47 -12.086   3.574  -0.044
  322    H    SER  48           H        SER  48 -11.121   2.420   3.204
  323    HA   SER  48           HA       SER  48 -12.891   4.379   4.504
  324   1HB   SER  48          2HB       SER  48 -11.807   2.713   6.414
  325   2HB   SER  48          1HB       SER  48 -13.335   2.420   5.565
  326    HG   SER  48           HG       SER  48 -12.366   1.023   4.250
  327    H    TYR  49           H        TYR  49  -9.482   3.255   4.453
  328    HA   TYR  49           HA       TYR  49  -8.727   5.283   6.428
  329   1HB   TYR  49          1HB       TYR  49  -7.655   3.131   6.518
  330   2HB   TYR  49          2HB       TYR  49  -7.065   3.270   4.868
  331    HD1  TYR  49           HD1      TYR  49  -6.995   5.605   7.870
  332    HD2  TYR  49           HD2      TYR  49  -4.710   3.342   4.994
  333    HE1  TYR  49           HE1      TYR  49  -4.958   6.888   8.463
  334    HE2  TYR  49           HE2      TYR  49  -2.657   4.530   5.705
  335    HH   TYR  49           HH       TYR  49  -1.735   6.110   7.234
  336    H    GLY  50           H        GLY  50  -7.277   7.014   6.044
  337   1HA   GLY  50          2HA       GLY  50  -5.931   8.368   4.560
  338   2HA   GLY  50          1HA       GLY  50  -7.115   8.144   3.258
  339    H    GLY  51           H        GLY  51  -6.384  10.662   4.012
  340   1HA   GLY  51          1HA       GLY  51  -8.552  11.816   5.697
  341   2HA   GLY  51          2HA       GLY  51  -7.178  12.677   4.969
  342    H    GLU  52           HN       GLU  52  -7.168  13.027   2.660
  343    HA   GLU  52           HA       GLU  52  -9.790  13.266   1.404
  344   1HB   GLU  52          2HB       GLU  52  -8.674  14.372  -0.355
  345   2HB   GLU  52          1HB       GLU  52  -8.037  14.981   1.167
  346   1HG   GLU  52          2HG       GLU  52  -6.636  13.128  -0.819
  347   2HG   GLU  52          1HG       GLU  52  -6.281  14.813  -0.483
  348    H    ARG  53           HN       ARG  53  -9.411  10.628   2.063
  349    HA   ARG  53           HA       ARG  53  -9.416   8.567   1.543
  350   1HB   ARG  53          1HB       ARG  53 -10.839   9.927  -0.472
  351   2HB   ARG  53          2HB       ARG  53  -9.724   8.922  -1.405
  352   1HG   ARG  53          2HG       ARG  53 -11.337   7.401  -1.067
  353   2HG   ARG  53          1HG       ARG  53 -10.409   7.079   0.399
  354   1HD   ARG  53          1HD       ARG  53 -12.896   8.860   0.101
  355   2HD   ARG  53          2HD       ARG  53 -12.823   7.358   1.028
  356    HE   ARG  53           HE       ARG  53 -11.931  10.052   1.768
  357   1HH1  ARG  53          2HH1      ARG  53 -11.835   6.610   2.664
  358   2HH1  ARG  53          1HH1      ARG  53 -11.236   6.937   4.269
  359   1HH2  ARG  53          2HH2      ARG  53 -11.077  10.440   3.831
  360   2HH2  ARG  53          1HH2      ARG  53 -10.624   9.118   4.858
  361    H    LYS  54           HN       LYS  54  -7.430  10.228  -0.508
  362    HA   LYS  54           HA       LYS  54  -5.167   9.885  -1.232
  363   1HB   LYS  54          1HB       LYS  54  -5.214   7.293   0.172
  364   2HB   LYS  54          2HB       LYS  54  -3.856   8.114  -0.605
  365   1HG   LYS  54          1HG       LYS  54  -4.728  10.196   0.865
  366   2HG   LYS  54          2HG       LYS  54  -5.315   8.902   1.891
  367   1HD   LYS  54          1HD       LYS  54  -2.949   8.003   1.942
  368   2HD   LYS  54          2HD       LYS  54  -2.437   9.352   0.931
  369   1HE   LYS  54          1HE       LYS  54  -3.777   9.673   3.662
  370   2HE   LYS  54          2HE       LYS  54  -2.030   9.672   3.417
  371   1HZ   LYS  54          2HZ       LYS  54  -3.861  11.601   2.171
  372   2HZ   LYS  54          3HZ       LYS  54  -2.909  11.879   3.489
  373   3HZ   LYS  54          1HZ       LYS  54  -2.225  11.564   2.025
  374    H    ALA  55           H        ALA  55  -7.547   9.655  -2.560
  375    HA   ALA  55           HA       ALA  55  -8.541   7.909  -4.067
  376   1HB   ALA  55          2HB       ALA  55  -8.921  10.293  -4.410
  377   2HB   ALA  55          1HB       ALA  55  -7.390  10.443  -5.296
  378   3HB   ALA  55          3HB       ALA  55  -8.718   9.472  -5.969
  379    H    MET  56           H        MET  56  -5.462   9.158  -5.457
  380    HA   MET  56           HA       MET  56  -5.339   7.337  -7.593
  381   1HB   MET  56          2HB       MET  56  -3.923   9.332  -7.429
  382   2HB   MET  56          1HB       MET  56  -3.107   8.689  -6.000
  383   1HG   MET  56          2HG       MET  56  -1.745   8.452  -8.044
  384   2HG   MET  56          1HG       MET  56  -2.088   6.906  -7.284
  385   1HE   MET  56          1HE       MET  56  -2.794   9.301 -10.247
  386   2HE   MET  56          2HE       MET  56  -3.903   8.359 -11.271
  387   3HE   MET  56          3HE       MET  56  -4.479   9.026  -9.729
  388    H    MET  57           H        MET  57  -3.965   7.100  -4.307
  389    HA   MET  57           HA       MET  57  -2.772   4.493  -4.684
  390   1HB   MET  57          2HB       MET  57  -1.878   5.950  -3.005
  391   2HB   MET  57          1HB       MET  57  -3.444   6.127  -2.203
  392   1HG   MET  57          1HG       MET  57  -3.466   3.813  -1.527
  393   2HG   MET  57          2HG       MET  57  -2.061   3.431  -2.528
  394   1HE   MET  57          2HE       MET  57  -3.216   5.933   0.245
  395   2HE   MET  57          1HE       MET  57  -1.719   6.171   1.185
  396   3HE   MET  57          3HE       MET  57  -1.859   6.859  -0.447
  397    H    THR  58           H        THR  58  -5.851   5.766  -3.204
  398    HA   THR  58           HA       THR  58  -6.931   3.423  -2.269
  399    HB   THR  58           HB       THR  58  -8.652   5.378  -3.814
  400    HG1  THR  58           HG1      THR  58  -7.690   6.033  -1.242
  401   1HG2  THR  58          3HG2      THR  58  -9.707   3.509  -2.495
  402   2HG2  THR  58          2HG2      THR  58  -8.970   4.222  -1.039
  403   3HG2  THR  58          1HG2      THR  58 -10.173   5.139  -1.962
  404    H    ASN  59           H        ASN  59  -7.422   4.721  -5.625
  405    HA   ASN  59           HA       ASN  59  -8.821   2.361  -6.451
  406   1HB   ASN  59          2HB       ASN  59  -8.918   4.673  -7.504
  407   2HB   ASN  59          1HB       ASN  59  -7.408   4.272  -8.328
  408   1HD2  ASN  59          1HD2      ASN  59  -9.685   1.434  -9.841
  409   2HD2  ASN  59          2HD2      ASN  59  -8.542   1.206  -8.531
  410    H    ALA  60           H        ALA  60  -5.347   3.342  -6.636
  411    HA   ALA  60           HA       ALA  60  -4.556   1.344  -8.510
  412   1HB   ALA  60          3HB       ALA  60  -3.135   3.261  -7.937
  413   2HB   ALA  60          2HB       ALA  60  -2.952   2.657  -6.274
  414   3HB   ALA  60          1HB       ALA  60  -2.285   1.734  -7.635
  415    H    VAL  61           H        VAL  61  -4.622   1.354  -4.924
  416    HA   VAL  61           HA       VAL  61  -3.712  -1.394  -4.820
  417    HB   VAL  61           HB       VAL  61  -3.168   0.437  -3.173
  418   1HG1  VAL  61          2HG1      VAL  61  -5.567   1.217  -2.822
  419   2HG1  VAL  61          3HG1      VAL  61  -5.848  -0.282  -1.935
  420   3HG1  VAL  61          1HG1      VAL  61  -4.634   0.882  -1.361
  421   1HG2  VAL  61          1HG2      VAL  61  -4.286  -2.191  -2.181
  422   2HG2  VAL  61          2HG2      VAL  61  -2.643  -1.917  -2.788
  423   3HG2  VAL  61          3HG2      VAL  61  -3.161  -1.140  -1.276
  424    H    LYS  62           HN       LYS  62  -6.919   0.197  -4.751
  425    HA   LYS  62           HA       LYS  62  -8.481  -1.842  -3.708
  426   1HB   LYS  62          1HB       LYS  62  -9.355   0.321  -4.227
  427   2HB   LYS  62          2HB       LYS  62  -9.072   0.103  -5.968
  428   1HG   LYS  62          2HG       LYS  62 -10.826  -1.486  -6.160
  429   2HG   LYS  62          1HG       LYS  62 -10.882  -1.744  -4.402
  430   1HD   LYS  62          1HD       LYS  62 -11.658   0.594  -4.073
  431   2HD   LYS  62          2HD       LYS  62 -11.671   0.836  -5.835
  432   1HE   LYS  62          2HE       LYS  62 -13.372  -0.964  -6.060
  433   2HE   LYS  62          1HE       LYS  62 -13.296  -1.264  -4.311
  434   1HZ   LYS  62          1HZ       LYS  62 -14.088   0.945  -3.943
  435   2HZ   LYS  62          3HZ       LYS  62 -14.164   1.243  -5.563
  436   3HZ   LYS  62          2HZ       LYS  62 -15.146   0.105  -4.886
  437    H    LYS  63           HN       LYS  63  -6.788  -1.961  -6.855
  438    HA   LYS  63           HA       LYS  63  -8.390  -3.868  -8.050
  439   1HB   LYS  63          1HB       LYS  63  -5.390  -3.369  -8.263
  440   2HB   LYS  63          2HB       LYS  63  -6.455  -4.113  -9.439
  441   1HG   LYS  63          1HG       LYS  63  -6.308  -1.209  -8.649
  442   2HG   LYS  63          2HG       LYS  63  -6.072  -1.915 -10.228
  443   1HD   LYS  63          1HD       LYS  63  -8.756  -1.747  -8.746
  444   2HD   LYS  63          2HD       LYS  63  -8.196  -0.665 -10.009
  445   1HE   LYS  63          1HE       LYS  63  -8.067  -2.544 -11.628
  446   2HE   LYS  63          2HE       LYS  63  -8.636  -3.669 -10.385
  447   1HZ   LYS  63          3HZ       LYS  63 -10.656  -2.408 -10.252
  448   2HZ   LYS  63          2HZ       LYS  63 -10.132  -1.368 -11.419
  449   3HZ   LYS  63          1HZ       LYS  63 -10.400  -2.952 -11.785
  450    H    ALA  64           H        ALA  64  -6.177  -4.142  -5.346
  451    HA   ALA  64           HA       ALA  64  -5.444  -6.917  -5.620
  452   1HB   ALA  64          2HB       ALA  64  -5.489  -4.966  -3.289
  453   2HB   ALA  64          1HB       ALA  64  -4.772  -6.575  -3.201
  454   3HB   ALA  64          3HB       ALA  64  -4.098  -5.360  -4.312
  455    H    SER  65           H        SER  65  -6.964  -8.567  -5.516
  456    HA   SER  65           HA       SER  65  -9.532  -8.199  -4.515
  457   1HB   SER  65          1HB       SER  65  -8.666 -11.004  -4.859
  458   2HB   SER  65          2HB       SER  65  -9.934 -10.074  -5.655
  459    HG   SER  65           HG       SER  65  -8.236 -10.623  -7.095
  460    H    ASP  66           HN       ASP  66  -7.209 -10.555  -3.265
  461    HA   ASP  66           HA       ASP  66  -7.877  -9.970  -0.461
  462   1HB   ASP  66          2HB       ASP  66  -9.834 -11.275  -0.937
  463   2HB   ASP  66          1HB       ASP  66  -8.898 -12.513  -1.783
  464    H    GLU  67           HN       GLU  67  -6.614 -12.750  -2.468
  465    HA   GLU  67           HA       GLU  67  -4.564 -13.607  -0.854
  466   1HB   GLU  67          1HB       GLU  67  -4.310 -13.274  -3.894
  467   2HB   GLU  67          2HB       GLU  67  -3.754 -14.524  -2.793
  468   1HG   GLU  67          1HG       GLU  67  -5.403 -15.688  -3.801
  469   2HG   GLU  67          2HG       GLU  67  -6.296 -15.061  -2.415
  470    H    GLU  68           HN       GLU  68  -4.768 -11.110  -3.282
  471    HA   GLU  68           HA       GLU  68  -2.256  -9.962  -3.480
  472   1HB   GLU  68          2HB       GLU  68  -5.131  -8.947  -3.766
  473   2HB   GLU  68          1HB       GLU  68  -3.665  -8.198  -4.337
  474   1HG   GLU  68          1HG       GLU  68  -4.203  -9.301  -6.266
  475   2HG   GLU  68          2HG       GLU  68  -3.223 -10.569  -5.480
  476    H    LEU  69           H        LEU  69  -5.128  -8.985  -1.474
  477    HA   LEU  69           HA       LEU  69  -3.861  -6.785  -0.312
  478   1HB   LEU  69          1HB       LEU  69  -5.992  -8.606   0.926
  479   2HB   LEU  69          2HB       LEU  69  -5.562  -7.029   1.560
  480    HG   LEU  69           HG       LEU  69  -6.850  -7.538  -1.156
  481   1HD1  LEU  69          3HD2      LEU  69  -8.351  -7.988   0.797
  482   2HD1  LEU  69          2HD2      LEU  69  -7.989  -6.366   1.423
  483   3HD1  LEU  69          1HD2      LEU  69  -8.853  -6.551  -0.115
  484   1HD2  LEU  69          2HD1      LEU  69  -5.521  -5.434  -1.118
  485   2HD2  LEU  69          1HD1      LEU  69  -7.240  -5.108  -1.217
  486   3HD2  LEU  69          3HD1      LEU  69  -6.406  -4.893   0.323
  487    H    LYS  70           HN       LYS  70  -4.137 -10.108   0.989
  488    HA   LYS  70           HA       LYS  70  -2.630  -9.605   3.385
  489   1HB   LYS  70          2HB       LYS  70  -3.087 -12.140   1.766
  490   2HB   LYS  70          1HB       LYS  70  -2.275 -12.104   3.344
  491   1HG   LYS  70          1HG       LYS  70  -4.266 -11.070   4.370
  492   2HG   LYS  70          2HG       LYS  70  -5.139 -11.156   2.838
  493   1HD   LYS  70          2HD       LYS  70  -4.065 -13.488   4.506
  494   2HD   LYS  70          1HD       LYS  70  -5.756 -12.998   4.350
  495   1HE   LYS  70          2HE       LYS  70  -3.993 -14.186   2.155
  496   2HE   LYS  70          1HE       LYS  70  -5.364 -14.948   2.967
  497   1HZ   LYS  70          2HZ       LYS  70  -6.779 -13.245   2.039
  498   2HZ   LYS  70          3HZ       LYS  70  -5.505 -12.579   1.234
  499   3HZ   LYS  70          1HZ       LYS  70  -6.013 -14.103   0.863
  500    H    ALA  71           H        ALA  71  -1.631 -10.992   0.228
  501    HA   ALA  71           HA       ALA  71   1.088 -11.268   0.928
  502   1HB   ALA  71          2HB       ALA  71   0.014 -12.460  -0.942
  503   2HB   ALA  71          1HB       ALA  71  -0.234 -10.923  -1.798
  504   3HB   ALA  71          3HB       ALA  71   1.417 -11.539  -1.527
  505    H    LEU  72           H        LEU  72  -0.643  -8.323  -0.183
  506    HA   LEU  72           HA       LEU  72   1.768  -7.031  -1.095
  507   1HB   LEU  72          2HB       LEU  72  -0.533  -6.685  -1.866
  508   2HB   LEU  72          1HB       LEU  72  -0.987  -5.967  -0.323
  509    HG   LEU  72           HG       LEU  72   0.102  -3.956  -0.874
  510   1HD1  LEU  72          1HD1      LEU  72   1.703  -5.437  -3.015
  511   2HD1  LEU  72          2HD1      LEU  72   1.740  -3.692  -2.730
  512   3HD1  LEU  72          3HD1      LEU  72   2.355  -4.791  -1.492
  513   1HD2  LEU  72          1HD2      LEU  72  -1.860  -4.568  -2.329
  514   2HD2  LEU  72          2HD2      LEU  72  -0.751  -3.464  -3.141
  515   3HD2  LEU  72          3HD2      LEU  72  -0.742  -5.184  -3.539
  516    H    ALA  73           H        ALA  73  -0.224  -7.121   1.877
  517    HA   ALA  73           HA       ALA  73   1.386  -5.349   3.414
  518   1HB   ALA  73          3HB       ALA  73  -0.877  -6.110   4.011
  519   2HB   ALA  73          2HB       ALA  73  -0.266  -7.736   4.365
  520   3HB   ALA  73          1HB       ALA  73   0.288  -6.360   5.336
  521    H    ASP  74           HN       ASP  74   1.423  -8.970   3.222
  522    HA   ASP  74           HA       ASP  74   3.636  -9.422   4.856
  523   1HB   ASP  74          1HB       ASP  74   2.920 -10.919   2.298
  524   2HB   ASP  74          2HB       ASP  74   3.975 -11.507   3.585
  525    H    TYR  75           H        TYR  75   3.647  -8.769   1.317
  526    HA   TYR  75           HA       TYR  75   6.416  -8.879   0.890
  527   1HB   TYR  75          2HB       TYR  75   4.752  -8.811  -0.898
  528   2HB   TYR  75          1HB       TYR  75   4.298  -7.168  -0.473
  529    HD1  TYR  75           HD1      TYR  75   5.828  -5.255  -0.949
  530    HD2  TYR  75           HD2      TYR  75   6.772  -9.280  -2.179
  531    HE1  TYR  75           HE1      TYR  75   7.621  -4.392  -2.412
  532    HE2  TYR  75           HE2      TYR  75   8.490  -8.390  -3.735
  533    HH   TYR  75           HH       TYR  75   9.224  -4.899  -3.961
  534    H    MET  76           H        MET  76   4.428  -5.902   1.512
  535    HA   MET  76           HA       MET  76   6.699  -4.169   1.766
  536   1HB   MET  76          1HB       MET  76   3.823  -4.014   2.740
  537   2HB   MET  76          2HB       MET  76   4.992  -2.703   2.993
  538   1HG   MET  76          1HG       MET  76   5.355  -2.517   0.576
  539   2HG   MET  76          2HG       MET  76   4.219  -3.828   0.273
  540   1HE   MET  76          3HE       MET  76   1.665  -3.707   0.723
  541   2HE   MET  76          2HE       MET  76   1.774  -3.038   2.364
  542   3HE   MET  76          1HE       MET  76   0.770  -2.236   1.141
  543    H    SER  77           H        SER  77   5.254  -6.385   4.086
  544    HA   SER  77           HA       SER  77   6.621  -5.241   6.362
  545   1HB   SER  77          2HB       SER  77   4.516  -6.620   6.425
  546   2HB   SER  77          1HB       SER  77   5.521  -8.045   6.120
  547    HG   SER  77           HG       SER  77   6.795  -7.299   7.974
  548    H    LYS  78           HN       LYS  78   7.942  -6.834   3.676
  549    HA   LYS  78           HA       LYS  78  10.327  -7.738   5.162
  550   1HB   LYS  78          2HB       LYS  78   8.701  -9.388   3.168
  551   2HB   LYS  78          1HB       LYS  78  10.306  -9.811   3.788
  552   1HG   LYS  78          2HG       LYS  78   9.337  -9.837   6.117
  553   2HG   LYS  78          1HG       LYS  78   7.729  -9.612   5.413
  554   1HD   LYS  78          1HD       LYS  78   9.587 -11.961   4.818
  555   2HD   LYS  78          2HD       LYS  78   8.225 -11.979   5.952
  556   1HE   LYS  78          2HE       LYS  78   6.679 -11.387   4.055
  557   2HE   LYS  78          1HE       LYS  78   8.044 -11.540   2.933
  558   1HZ   LYS  78          2HZ       LYS  78   8.284 -13.807   3.621
  559   2HZ   LYS  78          3HZ       LYS  78   7.009 -13.673   4.657
  560   3HZ   LYS  78          1HZ       LYS  78   6.771 -13.530   3.033
  561    H    LEU  79           H        LEU  79  10.305  -5.325   4.051
  562    HA   LEU  79           HA       LEU  79  11.515  -5.480   1.411
  563   1HB   LEU  79          2HB       LEU  79   9.045  -5.238   1.148
  564   2HB   LEU  79          1HB       LEU  79   9.056  -3.948   2.367
  565    HG   LEU  79           HG       LEU  79  10.482  -2.644   0.910
  566   1HD1  LEU  79          2HD1      LEU  79   9.913  -4.947  -1.028
  567   2HD1  LEU  79          1HD1      LEU  79  10.450  -3.361  -1.604
  568   3HD1  LEU  79          3HD1      LEU  79  11.501  -4.317  -0.548
  569   1HD2  LEU  79          2HD2      LEU  79   7.793  -3.529  -0.209
  570   2HD2  LEU  79          1HD2      LEU  79   8.076  -2.263   1.004
  571   3HD2  LEU  79          3HD2      LEU  79   8.617  -2.023  -0.670
  572    HHA  HEC   1           HHA      HEM   1   1.836   5.307   3.587
  573    HHB  HEC   1           HHB      HEM   1   0.336   0.016   0.421
  574    HHC  HEC   1           HHC      HEM   1   0.693   3.341  -5.040
  575    HHD  HEC   1           HHD      HEM   1   0.944   8.765  -1.650
  576   1HMA  HEC   1          1HMA      HEM   1   0.234   0.292   4.221
  577   2HMA  HEC   1          2HMA      HEM   1  -0.507  -0.104   2.673
  578   3HMA  HEC   1          3HMA      HEM   1   1.221  -0.446   2.937
  579   1HAA  HEC   1          1HAA      HEM   1   2.130   3.487   4.925
  580   2HAA  HEC   1          2HAA      HEM   1   1.284   1.989   5.271
  581   1HBA  HEC   1          1HBA      HEM   1  -0.348   4.446   4.625
  582   2HBA  HEC   1          2HBA      HEM   1  -0.805   2.995   5.478
  583   1HMB  HEC   1          1HMB      HEM   1   0.378  -1.596  -2.955
  584   2HMB  HEC   1          2HMB      HEM   1   1.133  -1.367  -1.389
  585   3HMB  HEC   1          3HMB      HEM   1  -0.640  -1.301  -1.529
  586    HAB  HEC   1           HAB      HEM   1   0.546   1.310  -5.591
  587   1HBB  HEC   1          1HBB      HEM   1  -1.701   0.478  -5.181
  588   2HBB  HEC   1          2HBB      HEM   1  -0.757  -0.613  -6.212
  589   3HBB  HEC   1          3HBB      HEM   1  -1.049  -1.033  -4.520
  590   1HMC  HEC   1          1HMC      HEM   1   0.820   6.771  -6.601
  591   2HMC  HEC   1          2HMC      HEM   1  -0.032   5.242  -6.363
  592   3HMC  HEC   1          3HMC      HEM   1   1.746   5.272  -6.419
  593    HAC  HEC   1           HAC      HEM   1   2.057   9.028  -3.574
  594   1HBC  HEC   1          1HBC      HEM   1  -0.272   9.478  -4.240
  595   2HBC  HEC   1          2HBC      HEM   1   0.073   8.831  -5.857
  596   3HBC  HEC   1          3HBC      HEM   1   0.908  10.291  -5.294
  597   1HMD  HEC   1          1HMD      HEM   1  -0.122  10.107   1.797
  598   2HMD  HEC   1          2HMD      HEM   1   1.341  10.291   0.820
  599   3HMD  HEC   1          3HMD      HEM   1  -0.211   9.918   0.044
  600   1HAD  HEC   1          1HAD      HEM   1   0.402   9.013   3.700
  601   2HAD  HEC   1          2HAD      HEM   1  -0.708   7.676   3.727
  602   1HBD  HEC   1          1HBD      HEM   1   2.151   7.190   4.661
  603   2HBD  HEC   1          2HBD      HEM   1   0.655   6.338   5.001
   
  No H/Q in entry =         603
  Start of MODEL   31
    1   1H    ALA   1          2H        ALA   1  -2.914 -14.209  -6.396
    2   2H    ALA   1          3H        ALA   1  -3.097 -12.911  -7.355
    3   3H    ALA   1          1H        ALA   1  -3.252 -14.433  -8.020
    4    HA   ALA   1           HA       ALA   1  -0.960 -14.856  -7.714
    5   1HB   ALA   1          3HB       ALA   1  -1.549 -13.411  -9.689
    6   2HB   ALA   1          2HB       ALA   1  -1.172 -11.977  -8.712
    7   3HB   ALA   1          1HB       ALA   1   0.095 -13.160  -9.093
    8    H    ASP   2           HN       ASP   2   1.011 -12.576  -7.309
    9    HA   ASP   2           HA       ASP   2   0.729 -12.396  -4.341
   10   1HB   ASP   2          1HB       ASP   2   2.425 -14.044  -5.048
   11   2HB   ASP   2          2HB       ASP   2   3.264 -12.780  -5.968
   12    H    GLY   3           H        GLY   3   1.046 -10.519  -3.424
   13   1HA   GLY   3          2HA       GLY   3   0.774  -8.055  -4.421
   14   2HA   GLY   3          1HA       GLY   3   1.692  -8.420  -2.956
   15    H    ALA   4           H        ALA   4   3.920  -9.809  -4.351
   16    HA   ALA   4           HA       ALA   4   5.628  -7.631  -4.754
   17   1HB   ALA   4          3HB       ALA   4   6.372  -9.978  -4.312
   18   2HB   ALA   4          1HB       ALA   4   5.860 -10.434  -5.951
   19   3HB   ALA   4          2HB       ALA   4   7.190  -9.277  -5.723
   20    H    ALA   5           H        ALA   5   3.495  -9.231  -7.100
   21    HA   ALA   5           HA       ALA   5   4.684  -7.936  -9.426
   22   1HB   ALA   5          2HB       ALA   5   1.930  -9.171  -8.995
   23   2HB   ALA   5          1HB       ALA   5   2.616  -8.662 -10.553
   24   3HB   ALA   5          3HB       ALA   5   3.367  -9.988  -9.643
   25    H    LEU   6           H        LEU   6   1.810  -7.357  -7.387
   26    HA   LEU   6           HA       LEU   6   0.701  -5.110  -8.629
   27   1HB   LEU   6          1HB       LEU   6   0.756  -6.046  -5.759
   28   2HB   LEU   6          2HB       LEU   6  -0.121  -4.614  -6.291
   29    HG   LEU   6           HG       LEU   6  -1.457  -5.933  -7.820
   30   1HD1  LEU   6          3HD2      LEU   6   0.011  -8.382  -6.776
   31   2HD1  LEU   6          1HD2      LEU   6  -1.533  -8.418  -7.649
   32   3HD1  LEU   6          2HD2      LEU   6  -0.098  -7.821  -8.467
   33   1HD2  LEU   6          3HD1      LEU   6  -2.070  -5.558  -5.404
   34   2HD2  LEU   6          1HD1      LEU   6  -2.780  -7.033  -6.087
   35   3HD2  LEU   6          2HD1      LEU   6  -1.363  -7.135  -5.010
   36    H    TYR   7           H        TYR   7   3.073  -5.314  -5.965
   37    HA   TYR   7           HA       TYR   7   3.324  -2.691  -5.311
   38   1HB   TYR   7          1HB       TYR   7   4.381  -4.574  -4.117
   39   2HB   TYR   7          2HB       TYR   7   5.599  -4.692  -5.389
   40    HD1  TYR   7           HD2      TYR   7   4.030  -2.087  -3.149
   41    HD2  TYR   7           HD1      TYR   7   7.625  -3.455  -5.096
   42    HE1  TYR   7           HE2      TYR   7   5.270  -0.160  -2.223
   43    HE2  TYR   7           HE1      TYR   7   8.878  -1.578  -4.084
   44    HH   TYR   7           HH       TYR   7   8.386   0.732  -3.363
   45    H    LYS   8           HN       LYS   8   4.679  -4.165  -8.224
   46    HA   LYS   8           HA       LYS   8   6.701  -2.276  -8.777
   47   1HB   LYS   8          2HB       LYS   8   4.985  -3.895 -10.694
   48   2HB   LYS   8          1HB       LYS   8   6.474  -3.027 -11.114
   49   1HG   LYS   8          2HG       LYS   8   7.731  -4.351  -9.423
   50   2HG   LYS   8          1HG       LYS   8   6.264  -5.273  -9.051
   51   1HD   LYS   8          1HD       LYS   8   6.175  -6.142 -11.348
   52   2HD   LYS   8          2HD       LYS   8   7.568  -5.143 -11.800
   53   1HE   LYS   8          2HE       LYS   8   8.352  -7.406 -11.389
   54   2HE   LYS   8          1HE       LYS   8   8.976  -6.343 -10.119
   55   1HZ   LYS   8          2HZ       LYS   8   7.151  -7.146  -8.713
   56   2HZ   LYS   8          1HZ       LYS   8   6.693  -8.177  -9.911
   57   3HZ   LYS   8          3HZ       LYS   8   8.164  -8.352  -9.197
   58    H    SER   9           H        SER   9   3.191  -1.919  -9.047
   59    HA   SER   9           HA       SER   9   3.388   0.436 -10.780
   60   1HB   SER   9          2HB       SER   9   0.999   0.697 -10.298
   61   2HB   SER   9          1HB       SER   9   1.400  -0.928 -10.879
   62    HG   SER   9           HG       SER   9   1.313  -1.635  -8.672
   63    H    CYS  10           H        CYS  10   3.613  -0.167  -7.354
   64    HA   CYS  10           HA       CYS  10   3.007   2.513  -6.440
   65   1HB   CYS  10          2HB       CYS  10   4.368   0.399  -4.865
   66   2HB   CYS  10          1HB       CYS  10   3.294   1.659  -4.306
   67    H    ILE  11           H        ILE  11   5.827   0.531  -7.217
   68    HA   ILE  11           HA       ILE  11   7.906   2.180  -6.203
   69    HB   ILE  11           HB       ILE  11   7.820   0.610  -8.786
   70   1HG1  ILE  11          2HG1      ILE  11   8.790  -0.153  -5.992
   71   2HG1  ILE  11          1HG1      ILE  11   7.389  -0.826  -6.821
   72   1HG2  ILE  11          2HG2      ILE  11   9.696   2.227  -8.791
   73   2HG2  ILE  11          3HG2      ILE  11  10.242   1.608  -7.218
   74   3HG2  ILE  11          1HG2      ILE  11  10.309   0.595  -8.675
   75   1HD1  ILE  11          1HD1      ILE  11   8.987  -1.707  -8.605
   76   2HD1  ILE  11          2HD1      ILE  11  10.308  -1.300  -7.485
   77   3HD1  ILE  11          3HD1      ILE  11   9.073  -2.468  -7.003
   78    H    GLY  12           H        GLY  12   8.815   4.063  -7.023
   79   1HA   GLY  12          2HA       GLY  12   9.030   5.723  -8.819
   80   2HA   GLY  12          1HA       GLY  12   7.336   5.443  -9.262
   81    H    CYS  13           H        CYS  13   6.227   5.152  -6.546
   82    HA   CYS  13           HA       CYS  13   6.568   8.012  -5.650
   83   1HB   CYS  13          1HB       CYS  13   4.307   7.284  -6.308
   84   2HB   CYS  13          2HB       CYS  13   4.319   6.148  -4.932
   85    H    HIS  14           HN       HIS  14   6.524   4.634  -4.635
   86    HA   HIS  14           HA       HIS  14   7.408   5.263  -1.885
   87   1HB   HIS  14          2HB       HIS  14   6.342   2.880  -3.456
   88   2HB   HIS  14          1HB       HIS  14   7.027   2.653  -1.873
   89    HD1  HIS  14           HD1      HIS  14   5.967   4.174   0.133
   90    HD2  HIS  14           HD2      HIS  14   3.779   3.887  -3.417
   91    HE1  HIS  14           HE1      HIS  14   3.634   4.913   0.667
   92    H    GLY  15           H        GLY  15   9.086   4.609  -4.760
   93   1HA   GLY  15          1HA       GLY  15  11.364   4.077  -5.014
   94   2HA   GLY  15          2HA       GLY  15  11.527   3.902  -3.267
   95    H    ALA  16           H        ALA  16  12.793   1.932  -4.577
   96    HA   ALA  16           HA       ALA  16  11.011  -0.296  -5.265
   97   1HB   ALA  16          3HB       ALA  16  13.097   0.106  -6.495
   98   2HB   ALA  16          2HB       ALA  16  14.034  -0.163  -5.007
   99   3HB   ALA  16          1HB       ALA  16  13.088  -1.488  -5.719
  100    H    ASP  17           HN       ASP  17  10.276   0.396  -2.742
  101    HA   ASP  17           HA       ASP  17  10.593  -1.941  -1.218
  102   1HB   ASP  17          1HB       ASP  17  11.902  -1.056   0.723
  103   2HB   ASP  17          2HB       ASP  17  12.863  -1.412  -0.694
  104    H    GLY  18           H        GLY  18  10.329   1.583  -0.698
  105   1HA   GLY  18          1HA       GLY  18   7.933   2.362  -0.084
  106   2HA   GLY  18          2HA       GLY  18   8.051   1.136   1.175
  107    H    SER  19           H        SER  19  10.394   3.519  -0.137
  108    HA   SER  19           HA       SER  19  11.206   4.157   2.670
  109   1HB   SER  19          1HB       SER  19  13.305   4.922   1.474
  110   2HB   SER  19          2HB       SER  19  12.980   3.184   1.413
  111    HG   SER  19           HG       SER  19  12.502   3.312  -0.676
  112    H    LYS  20           HN       LYS  20  11.368   5.780  -0.464
  113    HA   LYS  20           HA       LYS  20  11.723   8.288   0.683
  114   1HB   LYS  20          1HB       LYS  20  11.707   9.211  -1.498
  115   2HB   LYS  20          2HB       LYS  20  12.469   7.620  -1.547
  116   1HG   LYS  20          1HG       LYS  20  10.332   6.665  -2.464
  117   2HG   LYS  20          2HG       LYS  20   9.641   8.299  -2.449
  118   1HD   LYS  20          2HD       LYS  20  11.627   9.050  -3.881
  119   2HD   LYS  20          1HD       LYS  20  12.106   7.351  -3.995
  120   1HE   LYS  20          2HE       LYS  20  10.877   7.996  -5.994
  121   2HE   LYS  20          1HE       LYS  20   9.903   6.837  -5.076
  122   1HZ   LYS  20          2HZ       LYS  20   9.572   9.760  -4.989
  123   2HZ   LYS  20          3HZ       LYS  20   8.670   8.715  -5.897
  124   3HZ   LYS  20          1HZ       LYS  20   8.609   8.632  -4.251
  125    H    ALA  21           H        ALA  21  10.607  10.276   0.137
  126    HA   ALA  21           HA       ALA  21   8.254  10.509   1.664
  127   1HB   ALA  21          3HB       ALA  21   9.668  12.448  -0.215
  128   2HB   ALA  21          1HB       ALA  21   8.441  12.907   0.974
  129   3HB   ALA  21          2HB       ALA  21   9.982  12.226   1.520
  130    H    ALA  22           H        ALA  22   7.001   8.840   0.335
  131    HA   ALA  22           HA       ALA  22   5.827   9.408  -2.125
  132   1HB   ALA  22          1HB       ALA  22   5.587   7.269  -0.907
  133   2HB   ALA  22          3HB       ALA  22   4.530   8.052   0.291
  134   3HB   ALA  22          2HB       ALA  22   4.012   7.895  -1.397
  135    H    MET  23           H        MET  23   4.605  11.114  -2.778
  136    HA   MET  23           HA       MET  23   3.550  13.086  -2.824
  137   1HB   MET  23          1HB       MET  23   2.217  12.392  -0.172
  138   2HB   MET  23          2HB       MET  23   1.774  13.675  -1.290
  139   1HG   MET  23          1HG       MET  23   1.629  10.707  -1.878
  140   2HG   MET  23          2HG       MET  23   0.282  11.782  -1.482
  141   1HE   MET  23          1HE       MET  23  -0.224  10.002  -3.751
  142   2HE   MET  23          3HE       MET  23  -1.291  11.390  -3.423
  143   3HE   MET  23          2HE       MET  23  -0.712  11.086  -5.075
  144    H    GLY  24           H        GLY  24   4.363  12.587   0.628
  145   1HA   GLY  24          2HA       GLY  24   6.365  14.669   0.667
  146   2HA   GLY  24          1HA       GLY  24   4.863  15.150   1.493
  147    H    SER  25           H        SER  25   5.432  14.930   3.677
  148    HA   SER  25           HA       SER  25   7.127  12.930   4.729
  149   1HB   SER  25          2HB       SER  25   5.073  14.607   6.199
  150   2HB   SER  25          1HB       SER  25   6.625  14.013   6.815
  151    HG   SER  25           HG       SER  25   7.633  15.382   5.231
  152    H    ALA  26           H        ALA  26   5.488  11.274   3.426
  153    HA   ALA  26           HA       ALA  26   3.283  10.257   5.060
  154   1HB   ALA  26          1HB       ALA  26   4.717   9.261   2.557
  155   2HB   ALA  26          2HB       ALA  26   3.314   8.463   3.276
  156   3HB   ALA  26          3HB       ALA  26   3.154  10.110   2.639
  157    H    LYS  27           HN       LYS  27   3.323   8.240   6.211
  158    HA   LYS  27           HA       LYS  27   5.704   7.544   7.593
  159   1HB   LYS  27          1HB       LYS  27   3.290   5.778   7.012
  160   2HB   LYS  27          2HB       LYS  27   4.538   5.472   8.208
  161   1HG   LYS  27          1HG       LYS  27   3.833   7.144   9.656
  162   2HG   LYS  27          2HG       LYS  27   2.986   8.058   8.401
  163   1HD   LYS  27          1HD       LYS  27   1.328   6.997   9.807
  164   2HD   LYS  27          2HD       LYS  27   1.289   6.278   8.197
  165   1HE   LYS  27          1HE       LYS  27   2.732   4.369   9.112
  166   2HE   LYS  27          2HE       LYS  27   2.520   5.078  10.724
  167   1HZ   LYS  27          3HZ       LYS  27   0.138   4.804  10.389
  168   2HZ   LYS  27          1HZ       LYS  27   0.420   4.126   8.908
  169   3HZ   LYS  27          2HZ       LYS  27   0.936   3.364  10.276
  170    HA   PRO  28           HA       PRO  28   7.495   5.282   4.103
  171   1HB   PRO  28          1HB       PRO  28   9.195   4.096   6.342
  172   2HB   PRO  28          2HB       PRO  28   9.737   4.638   4.725
  173   1HG   PRO  28          1HG       PRO  28  10.139   6.239   6.888
  174   2HG   PRO  28          2HG       PRO  28   9.509   6.949   5.371
  175   1HD   PRO  28          1HD       PRO  28   7.931   6.143   7.836
  176   2HD   PRO  28          2HD       PRO  28   7.836   7.644   6.863
  177    H    VAL  29           H        VAL  29   7.252   3.169   3.368
  178    HA   VAL  29           HA       VAL  29   5.185   1.656   4.867
  179    HB   VAL  29           HB       VAL  29   6.057   1.409   1.974
  180   1HG1  VAL  29          3HG2      VAL  29   3.455   0.769   3.412
  181   2HG1  VAL  29          1HG2      VAL  29   3.730   0.591   1.679
  182   3HG1  VAL  29          2HG2      VAL  29   4.638  -0.433   2.812
  183   1HG2  VAL  29          1HG1      VAL  29   4.041   3.269   3.295
  184   2HG2  VAL  29          2HG1      VAL  29   5.368   3.717   2.204
  185   3HG2  VAL  29          3HG1      VAL  29   3.968   2.814   1.585
  186    H    LYS  30           HN       LYS  30   8.397   1.434   3.495
  187    HA   LYS  30           HA       LYS  30   9.026  -1.237   3.345
  188   1HB   LYS  30          1HB       LYS  30  10.441   0.569   2.638
  189   2HB   LYS  30          2HB       LYS  30  10.568   1.173   4.292
  190   1HG   LYS  30          1HG       LYS  30  11.748  -1.098   4.824
  191   2HG   LYS  30          2HG       LYS  30  11.758  -1.364   3.082
  192   1HD   LYS  30          1HD       LYS  30  12.897   0.952   2.889
  193   2HD   LYS  30          2HD       LYS  30  13.062   0.909   4.650
  194   1HE   LYS  30          1HE       LYS  30  14.250  -1.067   2.642
  195   2HE   LYS  30          2HE       LYS  30  15.133   0.143   3.592
  196   1HZ   LYS  30          3HZ       LYS  30  14.324  -1.081   5.574
  197   2HZ   LYS  30          2HZ       LYS  30  13.732  -2.243   4.548
  198   3HZ   LYS  30          1HZ       LYS  30  15.345  -1.950   4.606
  199    H    GLY  31           H        GLY  31   8.285  -2.656   4.991
  200   1HA   GLY  31          2HA       GLY  31   8.272  -3.748   6.959
  201   2HA   GLY  31          1HA       GLY  31   9.710  -2.835   7.381
  202    H    GLN  32           H        GLN  32   6.374  -1.341   6.992
  203    HA   GLN  32           HA       GLN  32   6.509  -0.279   9.665
  204   1HB   GLN  32          1HB       GLN  32   3.809  -0.962   8.452
  205   2HB   GLN  32          2HB       GLN  32   4.256   0.313   9.578
  206   1HG   GLN  32          2HG       GLN  32   5.617   1.318   7.728
  207   2HG   GLN  32          1HG       GLN  32   4.889   0.113   6.642
  208   1HE2  GLN  32          1HE2      GLN  32   2.930   3.419   6.639
  209   2HE2  GLN  32          2HE2      GLN  32   4.672   3.154   6.707
  210    H    GLY  33           H        GLY  33   4.653  -2.787   8.414
  211   1HA   GLY  33          1HA       GLY  33   5.386  -5.118   9.624
  212   2HA   GLY  33          2HA       GLY  33   4.276  -4.472  10.838
  213    H    ALA  34           H        ALA  34   4.147  -6.708   8.787
  214    HA   ALA  34           HA       ALA  34   2.328  -6.532   6.859
  215   1HB   ALA  34          2HB       ALA  34   3.374  -8.601   7.634
  216   2HB   ALA  34          1HB       ALA  34   2.335  -8.610   9.075
  217   3HB   ALA  34          3HB       ALA  34   1.616  -8.814   7.453
  218    H    GLU  35           HN       GLU  35   1.239  -6.788  10.300
  219    HA   GLU  35           HA       GLU  35  -1.523  -6.650   9.599
  220   1HB   GLU  35          2HB       GLU  35  -0.666  -7.494  11.774
  221   2HB   GLU  35          1HB       GLU  35  -0.242  -5.833  12.242
  222   1HG   GLU  35          1HG       GLU  35  -2.617  -5.166  12.071
  223   2HG   GLU  35          2HG       GLU  35  -3.038  -6.770  11.444
  224    H    GLU  36           HN       GLU  36   0.836  -4.082  10.563
  225    HA   GLU  36           HA       GLU  36  -0.924  -1.898  10.717
  226   1HB   GLU  36          2HB       GLU  36   1.650  -2.318  11.344
  227   2HB   GLU  36          1HB       GLU  36   1.956  -1.923   9.671
  228   1HG   GLU  36          1HG       GLU  36   2.365  -0.146  11.047
  229   2HG   GLU  36          2HG       GLU  36   1.038   0.314   9.953
  230    H    LEU  37           H        LEU  37   1.060  -3.191   8.091
  231    HA   LEU  37           HA       LEU  37   0.304  -1.356   6.064
  232   1HB   LEU  37          1HB       LEU  37   1.402  -4.196   6.088
  233   2HB   LEU  37          2HB       LEU  37   1.164  -3.308   4.585
  234    HG   LEU  37           HG       LEU  37   2.830  -2.132   6.839
  235   1HD1  LEU  37          2HD2      LEU  37   3.772  -3.911   4.560
  236   2HD1  LEU  37          1HD2      LEU  37   4.821  -3.015   5.679
  237   3HD1  LEU  37          3HD2      LEU  37   3.794  -4.322   6.285
  238   1HD2  LEU  37          3HD1      LEU  37   2.733  -1.706   3.828
  239   2HD2  LEU  37          1HD1      LEU  37   2.131  -0.576   5.068
  240   3HD2  LEU  37          2HD1      LEU  37   3.857  -0.933   4.959
  241    H    TYR  38           HN       TYR  38  -0.749  -4.785   6.405
  242    HA   TYR  38           HA       TYR  38  -2.738  -5.036   4.648
  243   1HB   TYR  38          1HB       TYR  38  -2.123  -6.730   6.342
  244   2HB   TYR  38          2HB       TYR  38  -2.943  -5.869   7.577
  245    HD1  TYR  38           HE2      TYR  38  -3.858  -6.973   4.058
  246    HD2  TYR  38           HD1      TYR  38  -5.051  -6.632   8.191
  247    HE1  TYR  38           HE1      TYR  38  -6.158  -7.637   3.451
  248    HE2  TYR  38           HD2      TYR  38  -7.340  -7.351   7.578
  249    HH   TYR  38           HH       TYR  38  -8.322  -8.123   4.232
  250    H    LYS  39           HN       LYS  39  -3.277  -3.925   7.910
  251    HA   LYS  39           HA       LYS  39  -5.966  -3.167   7.653
  252   1HB   LYS  39          1HB       LYS  39  -3.749  -1.921   9.341
  253   2HB   LYS  39          2HB       LYS  39  -5.423  -1.405   9.488
  254   1HG   LYS  39          1HG       LYS  39  -4.492  -4.287   9.881
  255   2HG   LYS  39          2HG       LYS  39  -4.645  -3.103  11.186
  256   1HD   LYS  39          1HD       LYS  39  -7.087  -2.827  10.560
  257   2HD   LYS  39          2HD       LYS  39  -6.907  -4.184   9.436
  258   1HE   LYS  39          2HE       LYS  39  -6.434  -4.270  12.454
  259   2HE   LYS  39          1HE       LYS  39  -7.838  -4.921  11.595
  260   1HZ   LYS  39          3HZ       LYS  39  -6.375  -6.435  10.465
  261   2HZ   LYS  39          2HZ       LYS  39  -5.067  -5.833  11.270
  262   3HZ   LYS  39          1HZ       LYS  39  -6.253  -6.614  12.100
  263    H    LYS  40           HN       LYS  40  -3.168  -0.986   6.795
  264    HA   LYS  40           HA       LYS  40  -4.968   1.142   5.988
  265   1HB   LYS  40          1HB       LYS  40  -2.027   0.585   5.396
  266   2HB   LYS  40          2HB       LYS  40  -2.940   2.060   5.209
  267   1HG   LYS  40          2HG       LYS  40  -1.626   0.961   7.568
  268   2HG   LYS  40          1HG       LYS  40  -1.997   2.617   7.175
  269   1HD   LYS  40          2HD       LYS  40  -4.351   2.298   7.979
  270   2HD   LYS  40          1HD       LYS  40  -3.931   0.669   8.508
  271   1HE   LYS  40          1HE       LYS  40  -2.513   3.161   9.500
  272   2HE   LYS  40          2HE       LYS  40  -3.805   2.298  10.350
  273   1HZ   LYS  40          2HZ       LYS  40  -2.432   0.351  10.362
  274   2HZ   LYS  40          3HZ       LYS  40  -1.228   1.135   9.568
  275   3HZ   LYS  40          1HZ       LYS  40  -1.639   1.604  11.089
  276    H    MET  41           H        MET  41  -3.091  -1.390   4.072
  277    HA   MET  41           HA       MET  41  -4.143  -0.261   1.628
  278   1HB   MET  41          1HB       MET  41  -3.753  -2.580   0.606
  279   2HB   MET  41          2HB       MET  41  -2.438  -1.511   1.018
  280   1HG   MET  41          2HG       MET  41  -3.131  -3.575   3.038
  281   2HG   MET  41          1HG       MET  41  -2.298  -4.160   1.587
  282   1HE   MET  41          1HE       MET  41  -0.298  -2.162   0.561
  283   2HE   MET  41          2HE       MET  41   1.124  -2.544   1.560
  284   3HE   MET  41          3HE       MET  41   0.122  -3.857   0.923
  285    H    LYS  42           HN       LYS  42  -5.510  -2.593   3.944
  286    HA   LYS  42           HA       LYS  42  -7.837  -3.204   2.380
  287   1HB   LYS  42          2HB       LYS  42  -6.985  -4.610   4.229
  288   2HB   LYS  42          1HB       LYS  42  -7.321  -3.315   5.385
  289   1HG   LYS  42          2HG       LYS  42  -9.001  -5.075   5.463
  290   2HG   LYS  42          1HG       LYS  42  -9.723  -3.531   4.997
  291   1HD   LYS  42          1HD       LYS  42  -9.869  -4.223   2.669
  292   2HD   LYS  42          2HD       LYS  42  -8.903  -5.686   2.987
  293   1HE   LYS  42          1HE       LYS  42 -10.681  -6.596   4.410
  294   2HE   LYS  42          2HE       LYS  42 -11.614  -5.096   4.257
  295   1HZ   LYS  42          2HZ       LYS  42 -11.776  -5.510   1.910
  296   2HZ   LYS  42          1HZ       LYS  42 -10.967  -6.944   2.071
  297   3HZ   LYS  42          3HZ       LYS  42 -12.433  -6.739   2.789
  298    H    GLY  43           H        GLY  43  -6.976  -0.825   4.880
  299   1HA   GLY  43          1HA       GLY  43  -9.089   0.773   5.504
  300   2HA   GLY  43          2HA       GLY  43  -7.492   1.286   5.106
  301    H    TYR  44           H        TYR  44  -6.850   1.287   2.853
  302    HA   TYR  44           HA       TYR  44  -8.334   3.308   1.466
  303   1HB   TYR  44          1HB       TYR  44  -5.946   1.577   0.787
  304   2HB   TYR  44          2HB       TYR  44  -6.542   2.823  -0.317
  305    HD1  TYR  44           HD2      TYR  44  -7.023   5.126   1.547
  306    HD2  TYR  44           HD1      TYR  44  -3.728   2.461   0.928
  307    HE1  TYR  44           HE2      TYR  44  -5.470   6.752   2.546
  308    HE2  TYR  44           HE1      TYR  44  -2.231   4.084   2.064
  309    HH   TYR  44           HH       TYR  44  -3.531   6.797   3.971
  310    H    ALA  45           H        ALA  45  -7.823  -0.228   0.745
  311    HA   ALA  45           HA       ALA  45  -9.370  -0.262  -1.611
  312   1HB   ALA  45          2HB       ALA  45  -7.940  -2.128  -0.863
  313   2HB   ALA  45          1HB       ALA  45  -9.075  -2.468   0.464
  314   3HB   ALA  45          3HB       ALA  45  -9.590  -2.667  -1.222
  315    H    ASP  46           HN       ASP  46 -10.436  -0.404   1.790
  316    HA   ASP  46           HA       ASP  46 -13.241  -0.896   1.073
  317   1HB   ASP  46          2HB       ASP  46 -11.891  -0.103   3.689
  318   2HB   ASP  46          1HB       ASP  46 -13.600  -0.519   3.513
  319    H    GLY  47           H        GLY  47 -11.322   1.829   0.685
  320   1HA   GLY  47          1HA       GLY  47 -11.708   4.046   0.531
  321   2HA   GLY  47          2HA       GLY  47 -13.418   3.643   0.257
  322    H    SER  48           H        SER  48 -11.379   2.992   3.126
  323    HA   SER  48           HA       SER  48 -12.961   4.909   4.779
  324   1HB   SER  48          2HB       SER  48 -14.063   2.684   4.857
  325   2HB   SER  48          1HB       SER  48 -12.537   1.964   5.412
  326    HG   SER  48           HG       SER  48 -12.641   3.473   7.181
  327    H    TYR  49           H        TYR  49 -10.182   5.027   3.721
  328    HA   TYR  49           HA       TYR  49  -8.932   5.652   6.239
  329   1HB   TYR  49          1HB       TYR  49  -8.414   3.248   5.918
  330   2HB   TYR  49          2HB       TYR  49  -7.551   3.592   4.420
  331    HD1  TYR  49           HD2      TYR  49  -7.565   4.599   8.030
  332    HD2  TYR  49           HD1      TYR  49  -5.275   3.766   4.482
  333    HE1  TYR  49           HE2      TYR  49  -5.493   5.124   9.237
  334    HE2  TYR  49           HE1      TYR  49  -3.221   4.422   5.626
  335    HH   TYR  49           HH       TYR  49  -2.301   5.343   7.589
  336    H    GLY  50           H        GLY  50  -7.161   7.126   5.911
  337   1HA   GLY  50          2HA       GLY  50  -5.860   8.637   4.645
  338   2HA   GLY  50          1HA       GLY  50  -6.761   8.251   3.165
  339    H    GLY  51           H        GLY  51  -6.317  10.729   5.230
  340   1HA   GLY  51          1HA       GLY  51  -8.784  11.716   6.041
  341   2HA   GLY  51          2HA       GLY  51  -7.429  12.726   5.506
  342    H    GLU  52           HN       GLU  52  -7.201  12.123   2.875
  343    HA   GLU  52           HA       GLU  52  -9.787  12.925   1.597
  344   1HB   GLU  52          1HB       GLU  52  -8.159  13.845  -0.198
  345   2HB   GLU  52          2HB       GLU  52  -8.435  14.766   1.274
  346   1HG   GLU  52          1HG       GLU  52  -6.042  14.685   0.527
  347   2HG   GLU  52          2HG       GLU  52  -6.320  14.209   2.200
  348    H    ARG  53           HN       ARG  53  -9.199  10.237   2.261
  349    HA   ARG  53           HA       ARG  53  -9.066   8.265   1.709
  350   1HB   ARG  53          2HB       ARG  53 -10.888   9.500   0.255
  351   2HB   ARG  53          1HB       ARG  53  -9.781   9.123  -1.049
  352   1HG   ARG  53          2HG       ARG  53 -11.121   7.259  -1.060
  353   2HG   ARG  53          1HG       ARG  53  -9.867   6.666   0.041
  354   1HD   ARG  53          2HD       ARG  53 -12.403   8.103   0.994
  355   2HD   ARG  53          1HD       ARG  53 -12.319   6.345   0.819
  356    HE   ARG  53           HE       ARG  53 -10.178   6.993   2.462
  357   1HH1  ARG  53          1HH1      ARG  53 -13.627   6.694   2.814
  358   2HH1  ARG  53          2HH1      ARG  53 -13.729   7.552   4.330
  359   1HH2  ARG  53          1HH2      ARG  53 -10.259   8.231   4.437
  360   2HH2  ARG  53          2HH2      ARG  53 -11.710   8.139   5.404
  361    H    LYS  54           HN       LYS  54  -7.217  10.088  -0.365
  362    HA   LYS  54           HA       LYS  54  -5.062   9.739  -1.330
  363   1HB   LYS  54          1HB       LYS  54  -4.973   7.174   0.160
  364   2HB   LYS  54          2HB       LYS  54  -3.688   7.972  -0.773
  365   1HG   LYS  54          1HG       LYS  54  -4.317  10.102   0.624
  366   2HG   LYS  54          2HG       LYS  54  -5.036   8.956   1.749
  367   1HD   LYS  54          1HD       LYS  54  -2.721   7.853   1.817
  368   2HD   LYS  54          2HD       LYS  54  -2.133   9.177   0.820
  369   1HE   LYS  54          1HE       LYS  54  -3.423   9.456   3.585
  370   2HE   LYS  54          2HE       LYS  54  -1.700   9.604   3.233
  371   1HZ   LYS  54          1HZ       LYS  54  -2.208  11.475   1.830
  372   2HZ   LYS  54          2HZ       LYS  54  -3.803  11.381   2.248
  373   3HZ   LYS  54          3HZ       LYS  54  -2.669  11.721   3.393
  374    H    ALA  55           H        ALA  55  -7.392   9.601  -2.590
  375    HA   ALA  55           HA       ALA  55  -8.524   7.979  -4.098
  376   1HB   ALA  55          2HB       ALA  55  -8.657  10.385  -4.456
  377   2HB   ALA  55          1HB       ALA  55  -7.120  10.373  -5.345
  378   3HB   ALA  55          3HB       ALA  55  -8.542   9.539  -6.011
  379    H    MET  56           H        MET  56  -5.369   8.901  -5.617
  380    HA   MET  56           HA       MET  56  -5.596   6.918  -7.653
  381   1HB   MET  56          1HB       MET  56  -3.125   8.264  -6.477
  382   2HB   MET  56          2HB       MET  56  -3.143   7.265  -7.941
  383   1HG   MET  56          1HG       MET  56  -4.873   8.808  -8.917
  384   2HG   MET  56          2HG       MET  56  -4.630   9.891  -7.543
  385   1HE   MET  56          1HE       MET  56  -2.371  11.095  -7.026
  386   2HE   MET  56          3HE       MET  56  -1.346   9.644  -7.210
  387   3HE   MET  56          2HE       MET  56  -0.966  11.122  -8.119
  388    H    MET  57           H        MET  57  -4.020   6.851  -4.456
  389    HA   MET  57           HA       MET  57  -2.935   4.186  -4.761
  390   1HB   MET  57          2HB       MET  57  -1.910   5.788  -3.267
  391   2HB   MET  57          1HB       MET  57  -3.396   5.942  -2.315
  392   1HG   MET  57          2HG       MET  57  -3.230   3.628  -1.595
  393   2HG   MET  57          1HG       MET  57  -1.890   3.314  -2.701
  394   1HE   MET  57          1HE       MET  57  -2.942   5.904   0.007
  395   2HE   MET  57          2HE       MET  57  -1.434   6.167   0.915
  396   3HE   MET  57          3HE       MET  57  -1.605   6.834  -0.726
  397    H    THR  58           H        THR  58  -5.947   5.660  -3.347
  398    HA   THR  58           HA       THR  58  -7.120   3.363  -2.313
  399    HB   THR  58           HB       THR  58  -8.789   5.304  -3.910
  400    HG1  THR  58           HG1      THR  58  -7.651   5.983  -1.396
  401   1HG2  THR  58          2HG2      THR  58  -9.814   3.467  -2.502
  402   2HG2  THR  58          1HG2      THR  58  -9.133   4.302  -1.080
  403   3HG2  THR  58          3HG2      THR  58 -10.328   5.116  -2.104
  404    H    ASN  59           H        ASN  59  -7.412   4.616  -5.676
  405    HA   ASN  59           HA       ASN  59  -8.947   2.442  -6.649
  406   1HB   ASN  59          2HB       ASN  59  -8.550   4.709  -7.731
  407   2HB   ASN  59          1HB       ASN  59  -6.989   4.099  -8.287
  408   1HD2  ASN  59          1HD2      ASN  59  -9.350   1.574 -10.177
  409   2HD2  ASN  59          2HD2      ASN  59  -8.521   1.224  -8.673
  410    H    ALA  60           H        ALA  60  -5.378   2.945  -6.478
  411    HA   ALA  60           HA       ALA  60  -4.646   0.693  -8.033
  412   1HB   ALA  60          2HB       ALA  60  -3.062   2.459  -7.341
  413   2HB   ALA  60          3HB       ALA  60  -3.142   1.880  -5.662
  414   3HB   ALA  60          1HB       ALA  60  -2.492   0.828  -6.930
  415    H    VAL  61           H        VAL  61  -5.020   0.946  -4.426
  416    HA   VAL  61           HA       VAL  61  -4.651  -1.912  -4.134
  417    HB   VAL  61           HB       VAL  61  -5.362  -1.650  -1.852
  418   1HG1  VAL  61          3HG2      VAL  61  -3.044  -1.141  -2.456
  419   2HG1  VAL  61          2HG2      VAL  61  -3.457   0.569  -2.711
  420   3HG1  VAL  61          1HG2      VAL  61  -3.587  -0.146  -1.092
  421   1HG2  VAL  61          2HG1      VAL  61  -7.148   0.110  -2.256
  422   2HG2  VAL  61          1HG1      VAL  61  -6.076   0.335  -0.881
  423   3HG2  VAL  61          3HG1      VAL  61  -5.838   1.301  -2.340
  424    H    LYS  62           HN       LYS  62  -7.536   0.098  -4.745
  425    HA   LYS  62           HA       LYS  62  -9.489  -1.714  -3.994
  426   1HB   LYS  62          2HB       LYS  62  -9.826   0.649  -4.843
  427   2HB   LYS  62          1HB       LYS  62  -9.576   0.044  -6.487
  428   1HG   LYS  62          2HG       LYS  62 -11.925   0.343  -5.989
  429   2HG   LYS  62          1HG       LYS  62 -11.596  -1.372  -6.279
  430   1HD   LYS  62          2HD       LYS  62 -11.735  -1.899  -3.939
  431   2HD   LYS  62          1HD       LYS  62 -11.572  -0.190  -3.477
  432   1HE   LYS  62          2HE       LYS  62 -13.783   0.313  -4.386
  433   2HE   LYS  62          1HE       LYS  62 -13.971  -1.368  -4.936
  434   1HZ   LYS  62          2HZ       LYS  62 -13.548  -0.569  -2.138
  435   2HZ   LYS  62          1HZ       LYS  62 -15.032  -0.886  -2.800
  436   3HZ   LYS  62          3HZ       LYS  62 -13.896  -2.077  -2.689
  437    H    LYS  63           HN       LYS  63  -7.360  -1.856  -6.852
  438    HA   LYS  63           HA       LYS  63  -8.893  -3.813  -8.259
  439   1HB   LYS  63          1HB       LYS  63  -6.353  -2.316  -8.529
  440   2HB   LYS  63          2HB       LYS  63  -6.204  -3.978  -9.018
  441   1HG   LYS  63          2HG       LYS  63  -6.825  -2.648 -10.929
  442   2HG   LYS  63          1HG       LYS  63  -8.186  -3.704 -10.517
  443   1HD   LYS  63          1HD       LYS  63  -9.288  -1.770  -9.331
  444   2HD   LYS  63          2HD       LYS  63  -7.873  -0.772  -9.687
  445   1HE   LYS  63          1HE       LYS  63  -9.700  -0.294 -11.272
  446   2HE   LYS  63          2HE       LYS  63  -8.302  -0.978 -12.117
  447   1HZ   LYS  63          1HZ       LYS  63 -10.713  -2.452 -11.299
  448   2HZ   LYS  63          2HZ       LYS  63 -10.367  -1.939 -12.826
  449   3HZ   LYS  63          3HZ       LYS  63  -9.428  -3.087 -12.114
  450    H    ALA  64           H        ALA  64  -6.857  -4.014  -5.435
  451    HA   ALA  64           HA       ALA  64  -5.963  -6.768  -5.934
  452   1HB   ALA  64          1HB       ALA  64  -4.420  -5.100  -4.979
  453   2HB   ALA  64          3HB       ALA  64  -5.508  -4.872  -3.599
  454   3HB   ALA  64          2HB       ALA  64  -4.718  -6.427  -3.838
  455    H    SER  65           H        SER  65  -6.931  -8.543  -5.056
  456    HA   SER  65           HA       SER  65  -9.427  -8.309  -3.530
  457   1HB   SER  65          1HB       SER  65  -9.214 -10.855  -3.709
  458   2HB   SER  65          2HB       SER  65  -9.271  -9.988  -5.255
  459    HG   SER  65           HG       SER  65  -7.560 -11.466  -5.284
  460    H    ASP  66           HN       ASP  66  -9.517  -9.780  -1.423
  461    HA   ASP  66           HA       ASP  66  -7.682  -8.793   0.453
  462   1HB   ASP  66          1HB       ASP  66  -9.676 -11.033   0.503
  463   2HB   ASP  66          2HB       ASP  66  -8.433 -10.999   1.759
  464    H    GLU  67           HN       GLU  67  -7.430 -11.818  -1.379
  465    HA   GLU  67           HA       GLU  67  -5.168 -12.963  -0.180
  466   1HB   GLU  67          2HB       GLU  67  -6.432 -14.058  -1.988
  467   2HB   GLU  67          1HB       GLU  67  -5.996 -12.769  -3.118
  468   1HG   GLU  67          1HG       GLU  67  -3.559 -13.471  -2.872
  469   2HG   GLU  67          2HG       GLU  67  -4.126 -14.841  -1.908
  470    H    GLU  68           HN       GLU  68  -5.295 -10.621  -2.864
  471    HA   GLU  68           HA       GLU  68  -2.530 -10.279  -3.157
  472   1HB   GLU  68          2HB       GLU  68  -5.049  -8.732  -3.906
  473   2HB   GLU  68          1HB       GLU  68  -3.453  -8.289  -4.409
  474   1HG   GLU  68          2HG       GLU  68  -4.712 -10.991  -5.026
  475   2HG   GLU  68          1HG       GLU  68  -4.809  -9.593  -6.098
  476    H    LEU  69           H        LEU  69  -5.037  -8.295  -1.484
  477    HA   LEU  69           HA       LEU  69  -3.364  -6.205  -0.614
  478   1HB   LEU  69          1HB       LEU  69  -5.782  -7.477   0.728
  479   2HB   LEU  69          2HB       LEU  69  -5.040  -5.980   1.290
  480    HG   LEU  69           HG       LEU  69  -6.128  -6.279  -1.542
  481   1HD1  LEU  69          3HD2      LEU  69  -7.518  -5.197   0.946
  482   2HD1  LEU  69          2HD2      LEU  69  -8.122  -5.048  -0.718
  483   3HD1  LEU  69          1HD2      LEU  69  -7.992  -6.641   0.030
  484   1HD2  LEU  69          3HD1      LEU  69  -4.536  -4.381  -1.155
  485   2HD2  LEU  69          1HD1      LEU  69  -6.188  -3.836  -1.474
  486   3HD2  LEU  69          2HD1      LEU  69  -5.575  -3.839   0.187
  487    H    LYS  70           HN       LYS  70  -4.125  -9.313   1.068
  488    HA   LYS  70           HA       LYS  70  -2.458  -8.807   3.335
  489   1HB   LYS  70          2HB       LYS  70  -3.412 -11.384   2.019
  490   2HB   LYS  70          1HB       LYS  70  -2.515 -11.329   3.548
  491   1HG   LYS  70          1HG       LYS  70  -4.235  -9.982   4.606
  492   2HG   LYS  70          2HG       LYS  70  -5.121  -9.822   3.080
  493   1HD   LYS  70          1HD       LYS  70  -5.467 -12.287   3.026
  494   2HD   LYS  70          2HD       LYS  70  -4.656 -12.416   4.604
  495   1HE   LYS  70          2HE       LYS  70  -6.367 -10.857   5.573
  496   2HE   LYS  70          1HE       LYS  70  -7.178 -10.790   3.998
  497   1HZ   LYS  70          3HZ       LYS  70  -7.549 -13.149   4.167
  498   2HZ   LYS  70          1HZ       LYS  70  -6.807 -13.199   5.638
  499   3HZ   LYS  70          2HZ       LYS  70  -8.211 -12.358   5.452
  500    H    ALA  71           H        ALA  71  -1.809 -10.516   0.217
  501    HA   ALA  71           HA       ALA  71   0.896 -11.069   0.858
  502   1HB   ALA  71          1HB       ALA  71  -0.377 -12.160  -0.965
  503   2HB   ALA  71          3HB       ALA  71  -0.397 -10.634  -1.871
  504   3HB   ALA  71          2HB       ALA  71   1.149 -11.469  -1.557
  505    H    LEU  72           H        LEU  72  -0.553  -8.087  -0.532
  506    HA   LEU  72           HA       LEU  72   1.867  -6.873  -1.352
  507   1HB   LEU  72          1HB       LEU  72  -0.657  -6.431  -1.780
  508   2HB   LEU  72          2HB       LEU  72  -0.680  -5.512  -0.312
  509    HG   LEU  72           HG       LEU  72   0.762  -3.828  -1.294
  510   1HD1  LEU  72          1HD1      LEU  72   1.083  -5.782  -3.587
  511   2HD1  LEU  72          2HD1      LEU  72   1.527  -4.065  -3.701
  512   3HD1  LEU  72          3HD1      LEU  72   2.380  -5.119  -2.571
  513   1HD2  LEU  72          2HD2      LEU  72  -1.397  -4.849  -3.192
  514   2HD2  LEU  72          3HD2      LEU  72  -1.593  -3.683  -1.868
  515   3HD2  LEU  72          1HD2      LEU  72  -0.654  -3.260  -3.315
  516    H    ALA  73           H        ALA  73  -0.132  -6.614   1.546
  517    HA   ALA  73           HA       ALA  73   1.573  -5.043   3.146
  518   1HB   ALA  73          2HB       ALA  73  -0.741  -5.632   3.741
  519   2HB   ALA  73          3HB       ALA  73  -0.271  -7.313   4.041
  520   3HB   ALA  73          1HB       ALA  73   0.387  -6.029   5.057
  521    H    ASP  74           HN       ASP  74   1.448  -8.647   2.976
  522    HA   ASP  74           HA       ASP  74   3.543  -9.177   4.768
  523   1HB   ASP  74          2HB       ASP  74   2.775 -10.736   2.263
  524   2HB   ASP  74          1HB       ASP  74   3.803 -11.331   3.567
  525    H    TYR  75           H        TYR  75   3.721  -8.660   1.217
  526    HA   TYR  75           HA       TYR  75   6.480  -9.030   0.900
  527   1HB   TYR  75          1HB       TYR  75   4.752  -8.805  -0.891
  528   2HB   TYR  75          2HB       TYR  75   4.647  -7.088  -0.582
  529    HD1  TYR  75           HD1      TYR  75   7.232  -9.725  -1.352
  530    HD2  TYR  75           HD2      TYR  75   5.920  -5.659  -1.957
  531    HE1  TYR  75           HE1      TYR  75   9.074  -9.364  -2.974
  532    HE2  TYR  75           HE2      TYR  75   7.741  -5.321  -3.589
  533    HH   TYR  75           HH       TYR  75   9.544  -6.256  -4.671
  534    H    MET  76           H        MET  76   4.720  -5.920   1.340
  535    HA   MET  76           HA       MET  76   7.132  -4.384   1.703
  536   1HB   MET  76          1HB       MET  76   4.213  -3.859   2.149
  537   2HB   MET  76          2HB       MET  76   5.411  -2.750   2.850
  538   1HG   MET  76          1HG       MET  76   6.455  -2.325   0.754
  539   2HG   MET  76          2HG       MET  76   5.566  -3.617  -0.054
  540   1HE   MET  76          1HE       MET  76   3.510  -3.374  -1.315
  541   2HE   MET  76          2HE       MET  76   2.702  -3.447   0.259
  542   3HE   MET  76          3HE       MET  76   2.236  -2.187  -0.922
  543    H    SER  77           H        SER  77   5.373  -6.392   3.966
  544    HA   SER  77           HA       SER  77   6.814  -5.355   6.283
  545   1HB   SER  77          2HB       SER  77   4.527  -6.437   6.308
  546   2HB   SER  77          1HB       SER  77   5.331  -7.984   6.015
  547    HG   SER  77           HG       SER  77   6.639  -7.483   7.890
  548    H    LYS  78           HN       LYS  78   8.169  -6.859   3.667
  549    HA   LYS  78           HA       LYS  78  10.156  -8.307   5.302
  550   1HB   LYS  78          1HB       LYS  78   8.306  -9.861   4.442
  551   2HB   LYS  78          2HB       LYS  78   8.836  -9.456   2.801
  552   1HG   LYS  78          1HG       LYS  78  11.162 -10.289   3.494
  553   2HG   LYS  78          2HG       LYS  78  10.434 -10.846   5.007
  554   1HD   LYS  78          2HD       LYS  78   9.665 -11.716   2.177
  555   2HD   LYS  78          1HD       LYS  78  10.635 -12.651   3.326
  556   1HE   LYS  78          1HE       LYS  78   8.663 -12.686   4.900
  557   2HE   LYS  78          2HE       LYS  78   7.692 -11.883   3.649
  558   1HZ   LYS  78          2HZ       LYS  78   8.109 -13.729   2.211
  559   2HZ   LYS  78          1HZ       LYS  78   8.999 -14.490   3.372
  560   3HZ   LYS  78          3HZ       LYS  78   7.390 -14.224   3.609
  561    H    LEU  79           H        LEU  79  10.280  -5.672   4.410
  562    HA   LEU  79           HA       LEU  79  12.266  -5.670   2.324
  563   1HB   LEU  79          1HB       LEU  79   9.387  -4.771   2.231
  564   2HB   LEU  79          2HB       LEU  79  10.526  -3.524   1.857
  565    HG   LEU  79           HG       LEU  79  10.390  -6.249   0.454
  566   1HD1  LEU  79          2HD2      LEU  79   9.198  -3.543  -0.264
  567   2HD1  LEU  79          3HD2      LEU  79   9.422  -4.846  -1.448
  568   3HD1  LEU  79          1HD2      LEU  79   8.360  -5.090  -0.055
  569   1HD2  LEU  79          2HD1      LEU  79  11.907  -3.692  -0.205
  570   2HD2  LEU  79          1HD1      LEU  79  12.618  -5.259   0.225
  571   3HD2  LEU  79          3HD1      LEU  79  11.750  -5.084  -1.302
  572    HHA  HEC   1           HHA      HEM   1   1.936   5.241   3.327
  573    HHB  HEC   1           HHB      HEM   1   0.247   0.136  -0.084
  574    HHC  HEC   1           HHC      HEM   1   1.255   3.596  -5.391
  575    HHD  HEC   1           HHD      HEM   1   1.464   8.897  -1.782
  576   1HMA  HEC   1          1HMA      HEM   1   1.182  -0.453   2.455
  577   2HMA  HEC   1          2HMA      HEM   1   0.182   0.290   3.724
  578   3HMA  HEC   1          3HMA      HEM   1  -0.534  -0.047   2.147
  579   1HAA  HEC   1          1HAA      HEM   1   2.100   3.474   4.604
  580   2HAA  HEC   1          2HAA      HEM   1   1.424   1.877   4.845
  581   1HBA  HEC   1          1HBA      HEM   1  -0.411   4.226   4.259
  582   2HBA  HEC   1          2HBA      HEM   1  -0.786   2.674   4.988
  583   1HMB  HEC   1          1HMB      HEM   1   0.759  -1.382  -2.702
  584   2HMB  HEC   1          2HMB      HEM   1  -0.783  -1.005  -3.508
  585   3HMB  HEC   1          3HMB      HEM   1  -0.685  -0.945  -1.754
  586    HAB  HEC   1           HAB      HEM   1  -0.078   0.004  -5.360
  587   1HBB  HEC   1          1HBB      HEM   1  -0.094   0.933  -7.315
  588   2HBB  HEC   1          2HBB      HEM   1   1.065   2.178  -6.980
  589   3HBB  HEC   1          3HBB      HEM   1  -0.563   2.292  -6.289
  590   1HMC  HEC   1          1HMC      HEM   1   1.113   7.039  -6.835
  591   2HMC  HEC   1          2HMC      HEM   1   2.484   5.902  -6.739
  592   3HMC  HEC   1          3HMC      HEM   1   0.807   5.334  -6.679
  593    HAC  HEC   1           HAC      HEM   1   2.227   9.418  -3.767
  594   1HBC  HEC   1          1HBC      HEM   1   2.461  10.269  -5.906
  595   2HBC  HEC   1          2HBC      HEM   1   1.005   9.256  -5.967
  596   3HBC  HEC   1          3HBC      HEM   1   2.545   8.685  -6.667
  597   1HMD  HEC   1          1HMD      HEM   1   1.637  10.284   0.594
  598   2HMD  HEC   1          2HMD      HEM   1   0.021   9.924  -0.068
  599   3HMD  HEC   1          3HMD      HEM   1   0.244  10.121   1.672
  600   1HAD  HEC   1          1HAD      HEM   1  -0.540   7.686   3.400
  601   2HAD  HEC   1          2HAD      HEM   1   0.691   8.937   3.490
  602   1HBD  HEC   1          1HBD      HEM   1   2.183   7.064   4.607
  603   2HBD  HEC   1          2HBD      HEM   1   0.656   6.195   4.745
   
  No H/Q in entry =         603
  Start of MODEL   32
    1   1H    ALA   1          1H        ALA   1  -1.198 -12.474  -5.516
    2   2H    ALA   1          3H        ALA   1  -1.573 -13.650  -6.617
    3   3H    ALA   1          2H        ALA   1  -1.148 -14.016  -5.037
    4    HA   ALA   1           HA       ALA   1   0.787 -14.401  -6.379
    5   1HB   ALA   1          3HB       ALA   1   0.158 -12.895  -8.256
    6   2HB   ALA   1          1HB       ALA   1   0.414 -11.482  -7.209
    7   3HB   ALA   1          2HB       ALA   1   1.782 -12.525  -7.647
    8    H    ASP   2           HN       ASP   2   3.018 -13.391  -5.696
    9    HA   ASP   2           HA       ASP   2   2.881 -12.994  -2.854
   10   1HB   ASP   2          1HB       ASP   2   5.284 -13.167  -2.966
   11   2HB   ASP   2          2HB       ASP   2   4.578 -14.389  -4.024
   12    H    GLY   3           H        GLY   3   1.612 -10.667  -4.072
   13   1HA   GLY   3          2HA       GLY   3   1.598  -8.428  -3.661
   14   2HA   GLY   3          1HA       GLY   3   3.090  -8.612  -2.730
   15    H    ALA   4           H        ALA   4   4.936  -9.388  -4.470
   16    HA   ALA   4           HA       ALA   4   6.089  -7.229  -5.574
   17   1HB   ALA   4          2HB       ALA   4   7.146  -9.436  -5.377
   18   2HB   ALA   4          3HB       ALA   4   6.200 -10.035  -6.752
   19   3HB   ALA   4          1HB       ALA   4   7.398  -8.745  -6.992
   20    H    ALA   5           H        ALA   5   4.032  -9.431  -7.461
   21    HA   ALA   5           HA       ALA   5   4.138  -8.213  -9.964
   22   1HB   ALA   5          2HB       ALA   5   1.825  -9.702  -8.659
   23   2HB   ALA   5          3HB       ALA   5   1.975  -9.353 -10.396
   24   3HB   ALA   5          1HB       ALA   5   3.158 -10.407  -9.596
   25    H    LEU   6           H        LEU   6   2.136  -7.244  -7.167
   26    HA   LEU   6           HA       LEU   6   0.680  -5.183  -8.658
   27   1HB   LEU   6          1HB       LEU   6   0.796  -5.967  -5.716
   28   2HB   LEU   6          2HB       LEU   6  -0.183  -4.683  -6.418
   29    HG   LEU   6           HG       LEU   6  -1.296  -6.339  -7.869
   30   1HD1  LEU   6          1HD2      LEU   6   0.263  -8.426  -6.304
   31   2HD1  LEU   6          3HD2      LEU   6  -1.276  -8.752  -7.133
   32   3HD1  LEU   6          2HD2      LEU   6   0.106  -8.250  -8.077
   33   1HD2  LEU   6          3HD1      LEU   6  -2.103  -5.583  -5.573
   34   2HD2  LEU   6          2HD1      LEU   6  -2.740  -7.146  -6.112
   35   3HD2  LEU   6          1HD1      LEU   6  -1.419  -7.082  -4.909
   36    H    TYR   7           H        TYR   7   3.040  -5.495  -6.014
   37    HA   TYR   7           HA       TYR   7   3.493  -2.896  -5.313
   38   1HB   TYR   7          2HB       TYR   7   4.454  -5.030  -4.300
   39   2HB   TYR   7          1HB       TYR   7   5.697  -4.968  -5.530
   40    HD1  TYR   7           HD1      TYR   7   4.102  -2.585  -3.058
   41    HD2  TYR   7           HD2      TYR   7   7.728  -3.920  -4.977
   42    HE1  TYR   7           HE1      TYR   7   5.357  -0.747  -1.980
   43    HE2  TYR   7           HE2      TYR   7   8.998  -2.179  -3.767
   44    HH   TYR   7           HH       TYR   7   8.793  -0.159  -2.607
   45    H    LYS   8           HN       LYS   8   5.053  -4.633  -7.958
   46    HA   LYS   8           HA       LYS   8   6.971  -2.846  -8.804
   47   1HB   LYS   8          1HB       LYS   8   6.838  -3.896 -10.963
   48   2HB   LYS   8          2HB       LYS   8   6.534  -5.080  -9.690
   49   1HG   LYS   8          1HG       LYS   8   4.794  -5.692 -10.941
   50   2HG   LYS   8          2HG       LYS   8   3.957  -4.324 -10.210
   51   1HD   LYS   8          1HD       LYS   8   4.776  -2.893 -12.176
   52   2HD   LYS   8          2HD       LYS   8   5.384  -4.379 -12.913
   53   1HE   LYS   8          2HE       LYS   8   2.482  -3.752 -12.180
   54   2HE   LYS   8          1HE       LYS   8   3.175  -3.770 -13.809
   55   1HZ   LYS   8          1HZ       LYS   8   3.635  -6.122 -13.477
   56   2HZ   LYS   8          2HZ       LYS   8   2.891  -6.063 -12.001
   57   3HZ   LYS   8          3HZ       LYS   8   2.025  -5.778 -13.371
   58    H    SER   9           H        SER   9   3.564  -2.242  -8.896
   59    HA   SER   9           HA       SER   9   3.758   0.019 -10.778
   60   1HB   SER   9          1HB       SER   9   1.383  -0.567  -8.989
   61   2HB   SER   9          2HB       SER   9   1.433   0.104 -10.627
   62    HG   SER   9           HG       SER   9   1.796  -2.569  -9.745
   63    H    CYS  10           H        CYS  10   3.366  -0.651  -7.309
   64    HA   CYS  10           HA       CYS  10   2.732   1.998  -6.431
   65   1HB   CYS  10          2HB       CYS  10   3.897  -0.243  -4.772
   66   2HB   CYS  10          1HB       CYS  10   2.901   1.072  -4.217
   67    H    ILE  11           H        ILE  11   5.718   0.155  -6.918
   68    HA   ILE  11           HA       ILE  11   7.494   1.661  -5.476
   69    HB   ILE  11           HB       ILE  11   9.249   1.171  -7.070
   70   1HG1  ILE  11          1HG1      ILE  11   7.002   0.299  -8.889
   71   2HG1  ILE  11          2HG1      ILE  11   8.152   1.599  -9.185
   72   1HG2  ILE  11          2HG2      ILE  11   8.307  -0.541  -5.487
   73   2HG2  ILE  11          1HG2      ILE  11   7.486  -1.284  -6.870
   74   3HG2  ILE  11          3HG2      ILE  11   9.256  -1.183  -6.830
   75   1HD1  ILE  11          3HD1      ILE  11  10.021  -0.041  -9.243
   76   2HD1  ILE  11          2HD1      ILE  11   8.835  -1.363  -9.124
   77   3HD1  ILE  11          1HD1      ILE  11   8.814  -0.280 -10.523
   78    H    GLY  12           H        GLY  12   5.745   2.721  -8.354
   79   1HA   GLY  12          1HA       GLY  12   7.190   4.829  -9.363
   80   2HA   GLY  12          2HA       GLY  12   5.429   4.832  -9.151
   81    H    CYS  13           H        CYS  13   5.489   4.681  -6.225
   82    HA   CYS  13           HA       CYS  13   6.537   7.428  -5.530
   83   1HB   CYS  13          2HB       CYS  13   4.101   5.893  -4.656
   84   2HB   CYS  13          1HB       CYS  13   4.754   7.231  -3.716
   85    H    HIS  14           HN       HIS  14   5.906   4.058  -4.398
   86    HA   HIS  14           HA       HIS  14   7.104   4.499  -1.854
   87   1HB   HIS  14          1HB       HIS  14   6.041   2.134  -3.412
   88   2HB   HIS  14          2HB       HIS  14   6.879   1.960  -1.894
   89    HD1  HIS  14           HD1      HIS  14   5.904   3.762   0.064
   90    HD2  HIS  14           HD2      HIS  14   3.402   3.013  -3.164
   91    HE1  HIS  14           HE1      HIS  14   3.584   4.364   0.805
   92    H    GLY  15           H        GLY  15   8.513   3.567  -4.858
   93   1HA   GLY  15          2HA       GLY  15  10.776   3.278  -5.357
   94   2HA   GLY  15          1HA       GLY  15  11.168   3.567  -3.644
   95    H    ALA  16           H        ALA  16  12.678   1.655  -4.495
   96    HA   ALA  16           HA       ALA  16  11.476  -0.962  -4.668
   97   1HB   ALA  16          3HB       ALA  16  14.363  -0.102  -4.189
   98   2HB   ALA  16          1HB       ALA  16  13.817  -1.767  -4.487
   99   3HB   ALA  16          2HB       ALA  16  13.600  -0.523  -5.732
  100    H    ASP  17           HN       ASP  17  13.858  -0.001  -2.180
  101    HA   ASP  17           HA       ASP  17  12.676  -1.874  -0.279
  102   1HB   ASP  17          2HB       ASP  17  15.121  -0.098   0.012
  103   2HB   ASP  17          1HB       ASP  17  14.624  -1.459   1.034
  104    H    GLY  18           H        GLY  18  10.872  -0.168  -0.697
  105   1HA   GLY  18          2HA       GLY  18   9.346   1.368   0.024
  106   2HA   GLY  18          1HA       GLY  18   9.732   0.621   1.566
  107    H    SER  19           H        SER  19  12.449   2.394   0.777
  108    HA   SER  19           HA       SER  19  11.928   4.319   2.834
  109   1HB   SER  19          2HB       SER  19  14.304   4.072   0.935
  110   2HB   SER  19          1HB       SER  19  14.270   4.931   2.481
  111    HG   SER  19           HG       SER  19  13.799   2.124   2.187
  112    H    LYS  20           HN       LYS  20  10.081   4.877   0.932
  113    HA   LYS  20           HA       LYS  20  10.880   6.937  -0.912
  114   1HB   LYS  20          1HB       LYS  20   8.432   7.266  -1.173
  115   2HB   LYS  20          2HB       LYS  20   8.961   5.605  -1.338
  116   1HG   LYS  20          1HG       LYS  20   7.803   4.898   0.528
  117   2HG   LYS  20          2HG       LYS  20   8.214   6.342   1.444
  118   1HD   LYS  20          2HD       LYS  20   6.552   7.659   0.077
  119   2HD   LYS  20          1HD       LYS  20   6.012   6.153  -0.662
  120   1HE   LYS  20          2HE       LYS  20   4.517   6.666   1.169
  121   2HE   LYS  20          1HE       LYS  20   5.536   5.331   1.744
  122   1HZ   LYS  20          2HZ       LYS  20   6.901   6.967   2.855
  123   2HZ   LYS  20          3HZ       LYS  20   5.919   8.173   2.346
  124   3HZ   LYS  20          1HZ       LYS  20   5.342   7.008   3.365
  125    H    ALA  21           H        ALA  21   9.848   8.980  -1.037
  126    HA   ALA  21           HA       ALA  21   8.950  10.486   1.311
  127   1HB   ALA  21          3HB       ALA  21  11.378  11.305  -0.376
  128   2HB   ALA  21          1HB       ALA  21  10.530  12.346   0.789
  129   3HB   ALA  21          2HB       ALA  21  11.393  10.901   1.355
  130    H    ALA  22           H        ALA  22   7.179   9.758  -0.102
  131    HA   ALA  22           HA       ALA  22   6.982  10.678  -2.853
  132   1HB   ALA  22          2HB       ALA  22   6.141   8.495  -2.108
  133   2HB   ALA  22          3HB       ALA  22   4.947   9.287  -1.060
  134   3HB   ALA  22          1HB       ALA  22   4.865   9.469  -2.833
  135    H    MET  23           H        MET  23   3.914  11.097  -2.079
  136    HA   MET  23           HA       MET  23   4.046  13.955  -2.298
  137   1HB   MET  23          2HB       MET  23   1.607  13.879  -2.191
  138   2HB   MET  23          1HB       MET  23   2.304  12.801  -3.401
  139   1HG   MET  23          1HG       MET  23   1.933  10.858  -1.927
  140   2HG   MET  23          2HG       MET  23   1.222  11.914  -0.702
  141   1HE   MET  23          2HE       MET  23  -1.075  12.917  -0.740
  142   2HE   MET  23          1HE       MET  23  -0.751  13.844  -2.228
  143   3HE   MET  23          3HE       MET  23  -2.208  12.834  -2.109
  144    H    GLY  24           H        GLY  24   5.484  14.185  -0.399
  145   1HA   GLY  24          1HA       GLY  24   5.441  15.686   1.475
  146   2HA   GLY  24          2HA       GLY  24   3.897  15.002   2.009
  147    H    SER  25           H        SER  25   5.643  15.082   3.956
  148    HA   SER  25           HA       SER  25   7.495  12.924   4.170
  149   1HB   SER  25          1HB       SER  25   6.182  14.526   6.400
  150   2HB   SER  25          2HB       SER  25   7.754  13.705   6.409
  151    HG   SER  25           HG       SER  25   8.388  15.195   4.730
  152    H    ALA  26           H        ALA  26   5.700  11.426   3.302
  153    HA   ALA  26           HA       ALA  26   3.726  10.396   5.208
  154   1HB   ALA  26          2HB       ALA  26   4.665   9.651   2.421
  155   2HB   ALA  26          3HB       ALA  26   3.535   8.634   3.337
  156   3HB   ALA  26          1HB       ALA  26   3.115  10.321   2.939
  157    H    LYS  27           HN       LYS  27   3.782   8.296   6.195
  158    HA   LYS  27           HA       LYS  27   6.332   7.572   7.248
  159   1HB   LYS  27          1HB       LYS  27   3.748   5.956   7.219
  160   2HB   LYS  27          2HB       LYS  27   5.182   5.636   8.210
  161   1HG   LYS  27          1HG       LYS  27   4.933   7.946   9.215
  162   2HG   LYS  27          2HG       LYS  27   3.370   8.081   8.412
  163   1HD   LYS  27          2HD       LYS  27   4.223   6.008  10.489
  164   2HD   LYS  27          1HD       LYS  27   3.078   7.333  10.727
  165   1HE   LYS  27          1HE       LYS  27   2.686   4.886   8.934
  166   2HE   LYS  27          2HE       LYS  27   1.882   5.212  10.469
  167   1HZ   LYS  27          2HZ       LYS  27   1.619   6.880   8.069
  168   2HZ   LYS  27          1HZ       LYS  27   0.536   5.750   8.556
  169   3HZ   LYS  27          3HZ       LYS  27   0.814   7.086   9.490
  170    HA   PRO  28           HA       PRO  28   7.416   5.149   3.583
  171   1HB   PRO  28          2HB       PRO  28   9.770   4.019   4.414
  172   2HB   PRO  28          1HB       PRO  28   9.622   5.741   3.955
  173   1HG   PRO  28          1HG       PRO  28   9.551   4.548   6.737
  174   2HG   PRO  28          2HG       PRO  28  10.498   5.955   6.172
  175   1HD   PRO  28          2HD       PRO  28   8.114   6.218   7.468
  176   2HD   PRO  28          1HD       PRO  28   8.566   7.340   6.145
  177    H    VAL  29           H        VAL  29   6.171   3.470   3.219
  178    HA   VAL  29           HA       VAL  29   4.949   1.631   4.710
  179    HB   VAL  29           HB       VAL  29   5.439   0.005   2.708
  180   1HG1  VAL  29          1HG2      VAL  29   4.020   2.694   2.476
  181   2HG1  VAL  29          3HG2      VAL  29   3.802   1.377   1.301
  182   3HG1  VAL  29          2HG2      VAL  29   3.335   1.138   2.991
  183   1HG2  VAL  29          2HG1      VAL  29   6.592   2.534   1.495
  184   2HG2  VAL  29          1HG1      VAL  29   7.421   0.998   1.794
  185   3HG2  VAL  29          3HG1      VAL  29   6.103   1.071   0.625
  186    H    LYS  30           HN       LYS  30   8.272   1.398   3.773
  187    HA   LYS  30           HA       LYS  30   9.291  -1.005   4.016
  188   1HB   LYS  30          2HB       LYS  30  10.315   1.214   3.780
  189   2HB   LYS  30          1HB       LYS  30  10.330   1.414   5.544
  190   1HG   LYS  30          1HG       LYS  30  11.654  -0.831   5.601
  191   2HG   LYS  30          2HG       LYS  30  11.758  -0.652   3.842
  192   1HD   LYS  30          1HD       LYS  30  12.842   1.584   4.178
  193   2HD   LYS  30          2HD       LYS  30  12.793   1.328   5.928
  194   1HE   LYS  30          2HE       LYS  30  15.015   0.764   5.009
  195   2HE   LYS  30          1HE       LYS  30  14.235  -0.670   5.708
  196   1HZ   LYS  30          3HZ       LYS  30  14.218  -0.006   2.847
  197   2HZ   LYS  30          2HZ       LYS  30  15.275  -1.060   3.557
  198   3HZ   LYS  30          1HZ       LYS  30  13.663  -1.393   3.526
  199    H    GLY  31           H        GLY  31   8.081  -2.461   5.287
  200   1HA   GLY  31          2HA       GLY  31   7.622  -3.703   7.119
  201   2HA   GLY  31          1HA       GLY  31   9.064  -3.010   7.834
  202    H    GLN  32           H        GLN  32   5.928  -1.204   7.121
  203    HA   GLN  32           HA       GLN  32   5.800  -0.138   9.722
  204   1HB   GLN  32          1HB       GLN  32   3.193  -0.988   8.457
  205   2HB   GLN  32          2HB       GLN  32   3.521   0.370   9.509
  206   1HG   GLN  32          1HG       GLN  32   4.235   0.131   6.578
  207   2HG   GLN  32          2HG       GLN  32   2.884   0.990   7.281
  208   1HE2  GLN  32          2HE2      GLN  32   5.031   3.825   6.869
  209   2HE2  GLN  32          1HE2      GLN  32   3.446   3.191   6.495
  210    H    GLY  33           H        GLY  33   4.131  -2.849   8.551
  211   1HA   GLY  33          2HA       GLY  33   4.863  -4.959  10.178
  212   2HA   GLY  33          1HA       GLY  33   3.545  -4.186  11.080
  213    H    ALA  34           H        ALA  34   3.493  -6.889   9.700
  214    HA   ALA  34           HA       ALA  34   2.118  -6.603   7.207
  215   1HB   ALA  34          3HB       ALA  34   3.274  -8.689   7.847
  216   2HB   ALA  34          1HB       ALA  34   2.038  -8.983   9.096
  217   3HB   ALA  34          2HB       ALA  34   1.590  -8.955   7.376
  218    H    GLU  35           HN       GLU  35   0.834  -6.920  10.520
  219    HA   GLU  35           HA       GLU  35  -1.919  -7.113   9.734
  220   1HB   GLU  35          2HB       GLU  35  -0.529  -6.093  12.272
  221   2HB   GLU  35          1HB       GLU  35  -2.270  -6.249  12.097
  222   1HG   GLU  35          2HG       GLU  35  -0.257  -8.540  11.845
  223   2HG   GLU  35          1HG       GLU  35  -1.267  -8.202  13.255
  224    H    GLU  36           HN       GLU  36   0.111  -4.427  10.806
  225    HA   GLU  36           HA       GLU  36  -1.558  -2.221  10.558
  226   1HB   GLU  36          1HB       GLU  36   1.429  -2.592   9.962
  227   2HB   GLU  36          2HB       GLU  36   0.631  -1.036   9.921
  228   1HG   GLU  36          1HG       GLU  36   1.819  -1.403  12.001
  229   2HG   GLU  36          2HG       GLU  36   0.073  -1.175  12.255
  230    H    LEU  37           H        LEU  37   0.723  -3.434   8.108
  231    HA   LEU  37           HA       LEU  37  -0.151  -1.811   5.974
  232   1HB   LEU  37          1HB       LEU  37   1.233  -4.498   6.036
  233   2HB   LEU  37          2HB       LEU  37   0.878  -3.649   4.525
  234    HG   LEU  37           HG       LEU  37   2.420  -2.269   6.742
  235   1HD1  LEU  37          1HD2      LEU  37   3.541  -4.015   4.526
  236   2HD1  LEU  37          3HD2      LEU  37   4.504  -2.957   5.582
  237   3HD1  LEU  37          2HD2      LEU  37   3.637  -4.339   6.265
  238   1HD2  LEU  37          3HD1      LEU  37   2.281  -1.896   3.715
  239   2HD2  LEU  37          2HD1      LEU  37   1.608  -0.809   4.952
  240   3HD2  LEU  37          1HD1      LEU  37   3.356  -1.001   4.794
  241    H    TYR  38           HN       TYR  38  -1.074  -5.291   6.513
  242    HA   TYR  38           HA       TYR  38  -2.922  -5.629   4.552
  243   1HB   TYR  38          2HB       TYR  38  -2.307  -7.413   5.982
  244   2HB   TYR  38          1HB       TYR  38  -3.003  -6.606   7.387
  245    HD1  TYR  38           HD1      TYR  38  -4.370  -7.265   3.904
  246    HD2  TYR  38           HE2      TYR  38  -4.798  -7.887   8.157
  247    HE1  TYR  38           HD2      TYR  38  -6.613  -8.225   3.543
  248    HE2  TYR  38           HE1      TYR  38  -7.014  -8.908   7.778
  249    HH   TYR  38           HH       TYR  38  -8.623  -9.454   6.234
  250    H    LYS  39           HN       LYS  39  -3.632  -4.276   7.763
  251    HA   LYS  39           HA       LYS  39  -6.386  -3.675   7.302
  252   1HB   LYS  39          1HB       LYS  39  -4.309  -2.511   9.201
  253   2HB   LYS  39          2HB       LYS  39  -6.014  -2.041   9.213
  254   1HG   LYS  39          1HG       LYS  39  -6.730  -4.284   9.768
  255   2HG   LYS  39          2HG       LYS  39  -5.132  -4.953   9.433
  256   1HD   LYS  39          1HD       LYS  39  -5.449  -4.846  11.819
  257   2HD   LYS  39          2HD       LYS  39  -4.162  -3.730  11.336
  258   1HE   LYS  39          2HE       LYS  39  -5.718  -1.816  11.520
  259   2HE   LYS  39          1HE       LYS  39  -7.061  -2.918  11.885
  260   1HZ   LYS  39          1HZ       LYS  39  -4.654  -2.542  13.523
  261   2HZ   LYS  39          3HZ       LYS  39  -6.150  -1.932  13.846
  262   3HZ   LYS  39          2HZ       LYS  39  -5.902  -3.561  13.870
  263    H    LYS  40           HN       LYS  40  -3.411  -1.590   6.889
  264    HA   LYS  40           HA       LYS  40  -4.800   0.711   6.084
  265   1HB   LYS  40          1HB       LYS  40  -1.998  -0.350   5.612
  266   2HB   LYS  40          2HB       LYS  40  -2.544   1.241   5.174
  267   1HG   LYS  40          1HG       LYS  40  -2.873   0.295   8.044
  268   2HG   LYS  40          2HG       LYS  40  -1.296   0.830   7.446
  269   1HD   LYS  40          1HD       LYS  40  -2.323   3.004   6.809
  270   2HD   LYS  40          2HD       LYS  40  -3.865   2.472   7.509
  271   1HE   LYS  40          1HE       LYS  40  -2.868   2.337   9.723
  272   2HE   LYS  40          2HE       LYS  40  -1.235   2.559   9.063
  273   1HZ   LYS  40          1HZ       LYS  40  -3.348   4.580   8.950
  274   2HZ   LYS  40          3HZ       LYS  40  -2.081   4.563  10.008
  275   3HZ   LYS  40          2HZ       LYS  40  -1.800   4.727   8.391
  276    H    MET  41           H        MET  41  -3.444  -2.055   3.965
  277    HA   MET  41           HA       MET  41  -4.084  -0.837   1.588
  278   1HB   MET  41          1HB       MET  41  -4.746  -3.705   1.608
  279   2HB   MET  41          2HB       MET  41  -3.629  -2.737   0.655
  280   1HG   MET  41          2HG       MET  41  -3.018  -3.998   3.256
  281   2HG   MET  41          1HG       MET  41  -2.466  -4.590   1.695
  282   1HE   MET  41          2HE       MET  41  -1.437  -2.896  -0.013
  283   2HE   MET  41          1HE       MET  41   0.039  -2.041   0.482
  284   3HE   MET  41          3HE       MET  41  -0.038  -3.814   0.608
  285    H    LYS  42           HN       LYS  42  -6.169  -2.899   3.694
  286    HA   LYS  42           HA       LYS  42  -8.509  -2.712   2.050
  287   1HB   LYS  42          1HB       LYS  42  -8.119  -3.171   5.035
  288   2HB   LYS  42          2HB       LYS  42  -9.702  -3.232   4.261
  289   1HG   LYS  42          1HG       LYS  42  -7.369  -4.995   3.386
  290   2HG   LYS  42          2HG       LYS  42  -8.535  -5.450   4.635
  291   1HD   LYS  42          2HD       LYS  42 -10.415  -5.155   3.004
  292   2HD   LYS  42          1HD       LYS  42  -9.245  -4.767   1.743
  293   1HE   LYS  42          1HE       LYS  42  -9.845  -7.053   1.458
  294   2HE   LYS  42          2HE       LYS  42  -8.188  -7.036   2.083
  295   1HZ   LYS  42          1HZ       LYS  42 -10.611  -7.469   3.696
  296   2HZ   LYS  42          3HZ       LYS  42  -9.611  -8.657   3.148
  297   3HZ   LYS  42          2HZ       LYS  42  -9.055  -7.567   4.237
  298    H    GLY  43           H        GLY  43  -7.302  -0.704   4.736
  299   1HA   GLY  43          2HA       GLY  43  -9.386   1.094   5.056
  300   2HA   GLY  43          1HA       GLY  43  -7.667   1.433   5.312
  301    H    TYR  44           H        TYR  44  -6.593   1.318   2.784
  302    HA   TYR  44           HA       TYR  44  -7.667   3.720   1.564
  303   1HB   TYR  44          1HB       TYR  44  -5.312   1.950   0.969
  304   2HB   TYR  44          2HB       TYR  44  -5.970   2.896  -0.363
  305    HD1  TYR  44           HD2      TYR  44  -6.716   5.523   0.794
  306    HD2  TYR  44           HD1      TYR  44  -3.156   3.128   0.990
  307    HE1  TYR  44           HE2      TYR  44  -5.549   7.369   1.878
  308    HE2  TYR  44           HE1      TYR  44  -1.906   5.115   1.795
  309    HH   TYR  44           HH       TYR  44  -2.340   6.928   3.331
  310    H    ALA  45           H        ALA  45  -7.785   0.220   0.656
  311    HA   ALA  45           HA       ALA  45  -9.016   0.533  -1.837
  312   1HB   ALA  45          3HB       ALA  45  -8.282  -1.650  -0.894
  313   2HB   ALA  45          2HB       ALA  45  -9.646  -1.603   0.244
  314   3HB   ALA  45          1HB       ALA  45  -9.950  -1.699  -1.497
  315    H    ASP  46           HN       ASP  46 -10.523   0.537   1.400
  316    HA   ASP  46           HA       ASP  46 -13.221   1.098   0.430
  317   1HB   ASP  46          2HB       ASP  46 -12.941  -0.002   2.555
  318   2HB   ASP  46          1HB       ASP  46 -11.821   1.242   3.130
  319    H    GLY  47           H        GLY  47 -10.465   2.916   1.683
  320   1HA   GLY  47          1HA       GLY  47  -9.712   4.998   1.211
  321   2HA   GLY  47          2HA       GLY  47 -11.178   5.403   0.349
  322    H    SER  48           H        SER  48 -10.669   4.056   3.614
  323    HA   SER  48           HA       SER  48 -12.028   6.373   4.951
  324   1HB   SER  48          1HB       SER  48 -11.689   4.670   6.944
  325   2HB   SER  48          2HB       SER  48 -13.002   4.422   5.785
  326    HG   SER  48           HG       SER  48 -11.980   2.806   4.879
  327    H    TYR  49           H        TYR  49  -9.319   4.118   5.451
  328    HA   TYR  49           HA       TYR  49  -7.665   5.899   6.978
  329   1HB   TYR  49          1HB       TYR  49  -7.053   3.540   6.941
  330   2HB   TYR  49          2HB       TYR  49  -7.049   3.549   5.178
  331    HD1  TYR  49           HD1      TYR  49  -5.325   5.849   7.640
  332    HD2  TYR  49           HD2      TYR  49  -4.946   3.058   4.369
  333    HE1  TYR  49           HE1      TYR  49  -3.134   6.835   7.039
  334    HE2  TYR  49           HE2      TYR  49  -2.650   3.865   3.969
  335    HH   TYR  49           HH       TYR  49  -1.267   6.688   5.569
  336    H    GLY  50           H        GLY  50  -6.641   7.736   6.286
  337   1HA   GLY  50          1HA       GLY  50  -5.179   8.346   4.118
  338   2HA   GLY  50          2HA       GLY  50  -6.802   8.467   3.442
  339    H    GLY  51           H        GLY  51  -8.203   9.356   5.433
  340   1HA   GLY  51          1HA       GLY  51  -8.925  11.354   6.517
  341   2HA   GLY  51          2HA       GLY  51  -7.261  11.998   6.441
  342    H    GLU  52           HN       GLU  52  -6.420  12.301   4.187
  343    HA   GLU  52           HA       GLU  52  -8.388  13.491   2.281
  344   1HB   GLU  52          2HB       GLU  52  -5.353  13.061   2.089
  345   2HB   GLU  52          1HB       GLU  52  -6.364  13.924   0.922
  346   1HG   GLU  52          1HG       GLU  52  -5.813  14.753   3.812
  347   2HG   GLU  52          2HG       GLU  52  -5.166  15.513   2.355
  348    H    ARG  53           HN       ARG  53  -9.483  11.840   1.196
  349    HA   ARG  53           HA       ARG  53  -9.275   9.237   1.606
  350   1HB   ARG  53          2HB       ARG  53 -11.056  10.441   0.469
  351   2HB   ARG  53          1HB       ARG  53 -10.078  10.569  -1.008
  352   1HG   ARG  53          1HG       ARG  53 -10.164   8.197  -1.376
  353   2HG   ARG  53          2HG       ARG  53 -10.755   7.888   0.269
  354   1HD   ARG  53          1HD       ARG  53 -12.848   9.072  -0.187
  355   2HD   ARG  53          2HD       ARG  53 -12.245   9.587  -1.762
  356    HE   ARG  53           HE       ARG  53 -12.684   7.516  -2.685
  357   1HH1  ARG  53          2HH1      ARG  53 -13.024   7.191   0.874
  358   2HH1  ARG  53          1HH1      ARG  53 -13.704   5.591   0.712
  359   1HH2  ARG  53          2HH2      ARG  53 -13.509   5.361  -2.733
  360   2HH2  ARG  53          1HH2      ARG  53 -13.816   4.548  -1.207
  361    H    LYS  54           HN       LYS  54  -7.185  10.887  -0.741
  362    HA   LYS  54           HA       LYS  54  -5.487   9.994  -2.138
  363   1HB   LYS  54          2HB       LYS  54  -5.230   8.879   0.475
  364   2HB   LYS  54          1HB       LYS  54  -4.548   7.810  -0.760
  365   1HG   LYS  54          2HG       LYS  54  -3.264   9.701  -1.653
  366   2HG   LYS  54          1HG       LYS  54  -4.098  10.846  -0.597
  367   1HD   LYS  54          1HD       LYS  54  -2.485   8.634   0.668
  368   2HD   LYS  54          2HD       LYS  54  -1.651   9.991  -0.089
  369   1HE   LYS  54          2HE       LYS  54  -1.876  10.449   2.249
  370   2HE   LYS  54          1HE       LYS  54  -2.917  11.580   1.369
  371   1HZ   LYS  54          2HZ       LYS  54  -3.791   9.088   2.654
  372   2HZ   LYS  54          1HZ       LYS  54  -3.969  10.589   3.315
  373   3HZ   LYS  54          3HZ       LYS  54  -4.779  10.204   1.942
  374    H    ALA  55           H        ALA  55  -7.826   9.806  -2.947
  375    HA   ALA  55           HA       ALA  55  -9.122   7.647  -3.830
  376   1HB   ALA  55          2HB       ALA  55  -9.784   9.943  -4.279
  377   2HB   ALA  55          3HB       ALA  55  -8.471  10.118  -5.466
  378   3HB   ALA  55          1HB       ALA  55  -9.804   8.984  -5.771
  379    H    MET  56           H        MET  56  -6.173   8.932  -5.420
  380    HA   MET  56           HA       MET  56  -6.174   7.136  -7.644
  381   1HB   MET  56          1HB       MET  56  -3.812   8.475  -6.230
  382   2HB   MET  56          2HB       MET  56  -3.765   7.653  -7.790
  383   1HG   MET  56          1HG       MET  56  -3.897   9.904  -8.363
  384   2HG   MET  56          2HG       MET  56  -5.525   9.289  -8.616
  385   1HE   MET  56          3HE       MET  56  -3.147  11.605  -6.658
  386   2HE   MET  56          1HE       MET  56  -4.172  12.289  -5.377
  387   3HE   MET  56          2HE       MET  56  -3.648  10.596  -5.277
  388    H    MET  57           H        MET  57  -4.734   6.963  -4.394
  389    HA   MET  57           HA       MET  57  -3.400   4.450  -4.808
  390   1HB   MET  57          1HB       MET  57  -3.252   6.450  -2.893
  391   2HB   MET  57          2HB       MET  57  -4.131   5.188  -2.013
  392   1HG   MET  57          2HG       MET  57  -2.375   3.522  -2.727
  393   2HG   MET  57          1HG       MET  57  -1.503   4.851  -3.499
  394   1HE   MET  57          1HE       MET  57  -2.659   6.721  -0.685
  395   2HE   MET  57          2HE       MET  57  -1.133   6.846   0.196
  396   3HE   MET  57          3HE       MET  57  -1.186   7.241  -1.542
  397    H    THR  58           H        THR  58  -6.419   5.508  -3.162
  398    HA   THR  58           HA       THR  58  -7.512   3.096  -2.406
  399    HB   THR  58           HB       THR  58  -8.820   5.534  -3.642
  400    HG1  THR  58           HG1      THR  58  -8.681   4.645  -0.982
  401   1HG2  THR  58          1HG2      THR  58 -10.223   3.172  -2.401
  402   2HG2  THR  58          2HG2      THR  58 -10.918   4.802  -2.474
  403   3HG2  THR  58          3HG2      THR  58 -10.516   3.937  -3.965
  404    H    ASN  59           H        ASN  59  -8.060   4.592  -5.666
  405    HA   ASN  59           HA       ASN  59  -9.485   2.356  -6.638
  406   1HB   ASN  59          2HB       ASN  59  -9.366   4.691  -7.628
  407   2HB   ASN  59          1HB       ASN  59  -7.825   4.231  -8.357
  408   1HD2  ASN  59          1HD2      ASN  59 -10.187   1.593 -10.109
  409   2HD2  ASN  59          2HD2      ASN  59  -9.184   1.251  -8.711
  410    H    ALA  60           H        ALA  60  -5.948   3.115  -6.715
  411    HA   ALA  60           HA       ALA  60  -5.266   0.979  -8.485
  412   1HB   ALA  60          2HB       ALA  60  -3.774   2.868  -8.012
  413   2HB   ALA  60          1HB       ALA  60  -3.576   2.322  -6.335
  414   3HB   ALA  60          3HB       ALA  60  -2.983   1.318  -7.676
  415    H    VAL  61           H        VAL  61  -5.020   1.144  -4.889
  416    HA   VAL  61           HA       VAL  61  -4.268  -1.579  -4.621
  417    HB   VAL  61           HB       VAL  61  -3.867   0.259  -2.982
  418   1HG1  VAL  61          1HG1      VAL  61  -6.182   1.200  -2.854
  419   2HG1  VAL  61          2HG1      VAL  61  -6.728  -0.282  -2.070
  420   3HG1  VAL  61          3HG1      VAL  61  -5.532   0.755  -1.276
  421   1HG2  VAL  61          3HG2      VAL  61  -3.596  -2.190  -2.435
  422   2HG2  VAL  61          2HG2      VAL  61  -3.945  -1.139  -1.045
  423   3HG2  VAL  61          1HG2      VAL  61  -5.234  -2.132  -1.739
  424    H    LYS  62           HN       LYS  62  -7.493  -0.024  -4.734
  425    HA   LYS  62           HA       LYS  62  -9.045  -2.150  -3.789
  426   1HB   LYS  62          2HB       LYS  62  -9.898   0.067  -4.126
  427   2HB   LYS  62          1HB       LYS  62  -9.632  -0.016  -5.879
  428   1HG   LYS  62          2HG       LYS  62 -11.383  -1.643  -6.145
  429   2HG   LYS  62          1HG       LYS  62 -11.493  -1.887  -4.388
  430   1HD   LYS  62          2HD       LYS  62 -12.236   0.495  -4.122
  431   2HD   LYS  62          1HD       LYS  62 -12.105   0.717  -5.874
  432   1HE   LYS  62          1HE       LYS  62 -14.434   0.352  -5.281
  433   2HE   LYS  62          2HE       LYS  62 -13.856  -1.038  -6.216
  434   1HZ   LYS  62          1HZ       LYS  62 -14.079  -0.915  -3.285
  435   2HZ   LYS  62          3HZ       LYS  62 -15.136  -1.675  -4.296
  436   3HZ   LYS  62          2HZ       LYS  62 -13.590  -2.224  -4.159
  437    H    LYS  63           HN       LYS  63  -7.293  -1.946  -6.863
  438    HA   LYS  63           HA       LYS  63  -9.002  -3.816  -8.215
  439   1HB   LYS  63          2HB       LYS  63  -6.070  -3.299  -8.781
  440   2HB   LYS  63          1HB       LYS  63  -7.269  -4.004  -9.867
  441   1HG   LYS  63          2HG       LYS  63  -7.027  -1.149  -8.909
  442   2HG   LYS  63          1HG       LYS  63  -6.949  -1.737 -10.551
  443   1HD   LYS  63          1HD       LYS  63  -9.441  -1.640  -8.758
  444   2HD   LYS  63          2HD       LYS  63  -9.054  -0.544 -10.066
  445   1HE   LYS  63          2HE       LYS  63  -9.604  -3.532 -10.420
  446   2HE   LYS  63          1HE       LYS  63 -10.725  -2.214 -10.774
  447   1HZ   LYS  63          2HZ       LYS  63  -9.164  -1.412 -12.404
  448   2HZ   LYS  63          1HZ       LYS  63  -8.140  -2.665 -12.086
  449   3HZ   LYS  63          3HZ       LYS  63  -9.627  -2.960 -12.728
  450    H    ALA  64           H        ALA  64  -6.648  -4.229  -5.682
  451    HA   ALA  64           HA       ALA  64  -5.891  -6.978  -6.374
  452   1HB   ALA  64          3HB       ALA  64  -4.327  -5.313  -5.399
  453   2HB   ALA  64          1HB       ALA  64  -5.333  -5.229  -3.953
  454   3HB   ALA  64          2HB       ALA  64  -4.512  -6.738  -4.351
  455    H    SER  65           H        SER  65  -6.666  -8.796  -5.340
  456    HA   SER  65           HA       SER  65  -9.217  -8.581  -3.865
  457   1HB   SER  65          1HB       SER  65  -9.047 -11.130  -4.099
  458   2HB   SER  65          2HB       SER  65  -9.156 -10.207  -5.611
  459    HG   SER  65           HG       SER  65  -7.465 -11.738  -5.714
  460    H    ASP  66           HN       ASP  66  -9.339 -10.175  -1.861
  461    HA   ASP  66           HA       ASP  66  -7.718  -9.129   0.129
  462   1HB   ASP  66          1HB       ASP  66  -8.626 -10.705   1.617
  463   2HB   ASP  66          2HB       ASP  66  -9.900 -10.398   0.435
  464    H    GLU  67           HN       GLU  67  -7.177 -12.232  -1.556
  465    HA   GLU  67           HA       GLU  67  -4.896 -13.057  -0.151
  466   1HB   GLU  67          2HB       GLU  67  -6.057 -14.496  -1.672
  467   2HB   GLU  67          1HB       GLU  67  -5.714 -13.468  -3.060
  468   1HG   GLU  67          1HG       GLU  67  -3.473 -14.750  -1.425
  469   2HG   GLU  67          2HG       GLU  67  -4.341 -15.663  -2.662
  470    H    GLU  68           HN       GLU  68  -5.079 -10.939  -3.031
  471    HA   GLU  68           HA       GLU  68  -2.309 -10.589  -3.342
  472   1HB   GLU  68          2HB       GLU  68  -4.774  -8.941  -4.093
  473   2HB   GLU  68          1HB       GLU  68  -3.154  -8.720  -4.669
  474   1HG   GLU  68          2HG       GLU  68  -4.824 -11.202  -5.181
  475   2HG   GLU  68          1HG       GLU  68  -4.698  -9.830  -6.290
  476    H    LEU  69           H        LEU  69  -4.862  -8.630  -1.751
  477    HA   LEU  69           HA       LEU  69  -3.230  -6.471  -0.928
  478   1HB   LEU  69          1HB       LEU  69  -5.683  -7.703   0.388
  479   2HB   LEU  69          2HB       LEU  69  -4.980  -6.163   0.881
  480    HG   LEU  69           HG       LEU  69  -5.947  -6.668  -1.970
  481   1HD1  LEU  69          2HD2      LEU  69  -7.446  -5.407   0.354
  482   2HD1  LEU  69          3HD2      LEU  69  -7.991  -5.434  -1.335
  483   3HD1  LEU  69          1HD2      LEU  69  -7.859  -6.948  -0.435
  484   1HD2  LEU  69          1HD1      LEU  69  -5.467  -4.106  -0.416
  485   2HD2  LEU  69          3HD1      LEU  69  -4.411  -4.733  -1.702
  486   3HD2  LEU  69          2HD1      LEU  69  -6.074  -4.234  -2.063
  487    H    LYS  70           HN       LYS  70  -4.040  -9.497   0.857
  488    HA   LYS  70           HA       LYS  70  -2.467  -8.981   3.162
  489   1HB   LYS  70          1HB       LYS  70  -3.260 -11.567   1.752
  490   2HB   LYS  70          2HB       LYS  70  -2.472 -11.526   3.336
  491   1HG   LYS  70          1HG       LYS  70  -4.315 -10.445   4.374
  492   2HG   LYS  70          2HG       LYS  70  -5.050 -10.011   2.821
  493   1HD   LYS  70          2HD       LYS  70  -5.455 -12.385   2.304
  494   2HD   LYS  70          1HD       LYS  70  -4.740 -12.860   3.859
  495   1HE   LYS  70          1HE       LYS  70  -6.488 -11.631   5.072
  496   2HE   LYS  70          2HE       LYS  70  -7.153 -11.005   3.552
  497   1HZ   LYS  70          3HZ       LYS  70  -7.049 -13.846   4.279
  498   2HZ   LYS  70          1HZ       LYS  70  -8.375 -12.877   4.402
  499   3HZ   LYS  70          2HZ       LYS  70  -7.737 -13.202   2.922
  500    H    ALA  71           H        ALA  71  -1.653 -10.605   0.054
  501    HA   ALA  71           HA       ALA  71   1.038 -11.140   0.808
  502   1HB   ALA  71          3HB       ALA  71  -0.189 -12.287  -1.023
  503   2HB   ALA  71          1HB       ALA  71  -0.170 -10.781  -1.967
  504   3HB   ALA  71          2HB       ALA  71   1.357 -11.604  -1.571
  505    H    LEU  72           H        LEU  72  -0.451  -8.215  -0.664
  506    HA   LEU  72           HA       LEU  72   2.010  -7.040  -1.478
  507   1HB   LEU  72          1HB       LEU  72  -0.444  -6.555  -2.074
  508   2HB   LEU  72          2HB       LEU  72  -0.565  -5.616  -0.625
  509    HG   LEU  72           HG       LEU  72   0.933  -3.940  -1.447
  510   1HD1  LEU  72          3HD1      LEU  72   1.715  -5.895  -3.620
  511   2HD1  LEU  72          2HD1      LEU  72   2.104  -4.164  -3.661
  512   3HD1  LEU  72          1HD1      LEU  72   2.774  -5.178  -2.383
  513   1HD2  LEU  72          3HD2      LEU  72  -0.767  -4.982  -3.745
  514   2HD2  LEU  72          1HD2      LEU  72  -1.305  -3.885  -2.460
  515   3HD2  LEU  72          2HD2      LEU  72  -0.092  -3.355  -3.650
  516    H    ALA  73           H        ALA  73  -0.075  -6.760   1.316
  517    HA   ALA  73           HA       ALA  73   1.537  -5.112   2.961
  518   1HB   ALA  73          3HB       ALA  73  -0.337  -7.398   3.740
  519   2HB   ALA  73          1HB       ALA  73   0.361  -6.247   4.880
  520   3HB   ALA  73          2HB       ALA  73  -0.729  -5.678   3.593
  521    H    ASP  74           HN       ASP  74   1.467  -8.751   2.981
  522    HA   ASP  74           HA       ASP  74   3.604  -9.205   4.654
  523   1HB   ASP  74          2HB       ASP  74   2.129 -10.962   3.760
  524   2HB   ASP  74          1HB       ASP  74   2.853 -10.761   2.153
  525    H    TYR  75           H        TYR  75   3.789  -8.538   1.118
  526    HA   TYR  75           HA       TYR  75   6.572  -8.883   0.823
  527   1HB   TYR  75          1HB       TYR  75   4.870  -8.582  -0.985
  528   2HB   TYR  75          2HB       TYR  75   4.777  -6.877  -0.619
  529    HD1  TYR  75           HD1      TYR  75   6.870  -9.542  -2.086
  530    HD2  TYR  75           HD2      TYR  75   6.593  -5.334  -1.188
  531    HE1  TYR  75           HE1      TYR  75   8.853  -9.100  -3.512
  532    HE2  TYR  75           HE2      TYR  75   8.620  -4.914  -2.543
  533    HH   TYR  75           HH       TYR  75  10.242  -5.830  -3.888
  534    H    MET  76           H        MET  76   4.770  -5.755   1.319
  535    HA   MET  76           HA       MET  76   7.048  -4.177   1.756
  536   1HB   MET  76          2HB       MET  76   4.070  -4.018   2.065
  537   2HB   MET  76          1HB       MET  76   5.013  -2.921   3.035
  538   1HG   MET  76          1HG       MET  76   6.198  -2.070   1.087
  539   2HG   MET  76          2HG       MET  76   5.428  -3.286   0.054
  540   1HE   MET  76          3HE       MET  76   3.241  -3.217  -0.867
  541   2HE   MET  76          1HE       MET  76   2.303  -3.112   0.642
  542   3HE   MET  76          2HE       MET  76   2.025  -1.934  -0.677
  543    H    SER  77           H        SER  77   5.405  -6.365   4.022
  544    HA   SER  77           HA       SER  77   6.367  -5.247   6.406
  545   1HB   SER  77          2HB       SER  77   5.788  -8.149   5.733
  546   2HB   SER  77          1HB       SER  77   5.903  -7.403   7.311
  547    HG   SER  77           HG       SER  77   4.062  -6.534   5.354
  548    H    LYS  78           HN       LYS  78   8.168  -6.852   3.821
  549    HA   LYS  78           HA       LYS  78  10.506  -7.260   5.625
  550   1HB   LYS  78          2HB       LYS  78   9.371  -9.224   3.587
  551   2HB   LYS  78          1HB       LYS  78  10.915  -9.392   4.442
  552   1HG   LYS  78          2HG       LYS  78   9.647  -9.392   6.620
  553   2HG   LYS  78          1HG       LYS  78   8.135  -9.401   5.711
  554   1HD   LYS  78          1HD       LYS  78  10.308 -11.544   5.647
  555   2HD   LYS  78          2HD       LYS  78   8.732 -11.668   6.437
  556   1HE   LYS  78          2HE       LYS  78   9.259 -11.496   3.431
  557   2HE   LYS  78          1HE       LYS  78   8.672 -12.889   4.342
  558   1HZ   LYS  78          2HZ       LYS  78   6.702 -11.623   4.882
  559   2HZ   LYS  78          3HZ       LYS  78   7.223 -10.353   3.971
  560   3HZ   LYS  78          1HZ       LYS  78   6.884 -11.795   3.260
  561    H    LEU  79           H        LEU  79  10.467  -4.915   4.409
  562    HA   LEU  79           HA       LEU  79  12.059  -5.114   2.023
  563   1HB   LEU  79          2HB       LEU  79   9.590  -5.339   1.384
  564   2HB   LEU  79          1HB       LEU  79   9.270  -3.903   2.376
  565    HG   LEU  79           HG       LEU  79  10.792  -2.636   0.921
  566   1HD1  LEU  79          2HD1      LEU  79  10.612  -5.216  -0.741
  567   2HD1  LEU  79          3HD1      LEU  79  11.176  -3.682  -1.423
  568   3HD1  LEU  79          1HD1      LEU  79  12.097  -4.460  -0.130
  569   1HD2  LEU  79          2HD2      LEU  79   8.318  -3.943  -0.259
  570   2HD2  LEU  79          1HD2      LEU  79   8.416  -2.446   0.695
  571   3HD2  LEU  79          3HD2      LEU  79   9.087  -2.494  -0.944
  572    HHA  HEC   1           HHA      HEM   1   1.882   4.961   3.373
  573    HHB  HEC   1           HHB      HEM   1  -0.445   0.032   0.075
  574    HHC  HEC   1           HHC      HEM   1   1.047   3.216  -5.325
  575    HHD  HEC   1           HHD      HEM   1   1.880   8.535  -1.814
  576   1HMA  HEC   1          1HMA      HEM   1   0.516  -0.613   2.552
  577   2HMA  HEC   1          2HMA      HEM   1  -0.280   0.241   3.896
  578   3HMA  HEC   1          3HMA      HEM   1  -1.166   0.001   2.387
  579   1HAA  HEC   1          1HAA      HEM   1   1.426   1.568   4.823
  580   2HAA  HEC   1          2HAA      HEM   1   2.170   3.128   4.517
  581   1HBA  HEC   1          1HBA      HEM   1  -0.229   4.099   4.633
  582   2HBA  HEC   1          2HBA      HEM   1  -0.695   2.534   5.296
  583   1HMB  HEC   1          1HMB      HEM   1  -1.560  -0.905  -1.662
  584   2HMB  HEC   1          2HMB      HEM   1   0.025  -1.582  -2.094
  585   3HMB  HEC   1          3HMB      HEM   1  -1.221  -1.317  -3.330
  586    HAB  HEC   1           HAB      HEM   1   0.546   1.261  -5.885
  587   1HBB  HEC   1          1HBB      HEM   1  -1.910   0.626  -5.458
  588   2HBB  HEC   1          2HBB      HEM   1  -1.020  -0.053  -6.841
  589   3HBB  HEC   1          3HBB      HEM   1  -1.287  -1.043  -5.418
  590   1HMC  HEC   1          1HMC      HEM   1   0.559   5.174  -6.649
  591   2HMC  HEC   1          2HMC      HEM   1   1.521   6.640  -6.843
  592   3HMC  HEC   1          3HMC      HEM   1   2.338   5.081  -6.642
  593    HAC  HEC   1           HAC      HEM   1   2.698   8.871  -3.787
  594   1HBC  HEC   1          1HBC      HEM   1   1.579  10.141  -5.486
  595   2HBC  HEC   1          2HBC      HEM   1   0.778   8.692  -6.119
  596   3HBC  HEC   1          3HBC      HEM   1   0.366   9.290  -4.501
  597   1HMD  HEC   1          1HMD      HEM   1   2.417   9.910   0.446
  598   2HMD  HEC   1          2HMD      HEM   1   1.093  10.003   1.629
  599   3HMD  HEC   1          3HMD      HEM   1   0.715   9.766  -0.073
  600   1HAD  HEC   1          1HAD      HEM   1  -0.120   7.763   3.415
  601   2HAD  HEC   1          2HAD      HEM   1   1.267   8.802   3.471
  602   1HBD  HEC   1          1HBD      HEM   1   0.909   6.101   4.797
  603   2HBD  HEC   1          2HBD      HEM   1   2.523   6.778   4.643
   
  No H/Q in entry =         603
  Start of MODEL   33
    1   1H    ALA   1          2H        ALA   1   0.008 -10.380  -8.958
    2   2H    ALA   1          1H        ALA   1  -0.649 -11.484 -10.026
    3   3H    ALA   1          3H        ALA   1  -1.382 -11.117  -8.575
    4    HA   ALA   1           HA       ALA   1  -0.359 -13.202  -8.341
    5   1HB   ALA   1          1HB       ALA   1   1.428 -12.884 -10.051
    6   2HB   ALA   1          3HB       ALA   1   2.246 -11.743  -8.958
    7   3HB   ALA   1          2HB       ALA   1   2.072 -13.443  -8.498
    8    H    ASP   2           HN       ASP   2   1.141 -13.683  -6.359
    9    HA   ASP   2           HA       ASP   2   0.022 -12.383  -4.175
   10   1HB   ASP   2          2HB       ASP   2   1.618 -13.717  -2.858
   11   2HB   ASP   2          1HB       ASP   2   0.768 -14.653  -4.088
   12    H    GLY   3           H        GLY   3   0.327 -10.096  -4.308
   13   1HA   GLY   3          1HA       GLY   3   1.170  -8.321  -3.110
   14   2HA   GLY   3          2HA       GLY   3   2.502  -9.318  -2.573
   15    H    ALA   4           H        ALA   4   3.968  -9.967  -4.436
   16    HA   ALA   4           HA       ALA   4   5.648  -7.786  -4.887
   17   1HB   ALA   4          2HB       ALA   4   6.364 -10.150  -4.961
   18   2HB   ALA   4          1HB       ALA   4   5.544 -10.364  -6.515
   19   3HB   ALA   4          3HB       ALA   4   6.923  -9.251  -6.385
   20    H    ALA   5           H        ALA   5   3.689  -9.385  -7.404
   21    HA   ALA   5           HA       ALA   5   4.301  -7.695  -9.535
   22   1HB   ALA   5          3HB       ALA   5   1.705  -9.162  -8.963
   23   2HB   ALA   5          1HB       ALA   5   2.175  -8.483 -10.538
   24   3HB   ALA   5          2HB       ALA   5   3.131  -9.798  -9.830
   25    H    LEU   6           H        LEU   6   1.767  -7.154  -6.950
   26    HA   LEU   6           HA       LEU   6   0.569  -4.941  -8.253
   27   1HB   LEU   6          2HB       LEU   6   0.698  -5.945  -5.375
   28   2HB   LEU   6          1HB       LEU   6  -0.295  -4.682  -5.993
   29    HG   LEU   6           HG       LEU   6  -0.767  -6.914  -7.721
   30   1HD1  LEU   6          2HD1      LEU   6   0.316  -8.267  -5.898
   31   2HD1  LEU   6          3HD1      LEU   6  -0.946  -7.717  -4.780
   32   3HD1  LEU   6          1HD1      LEU   6  -1.376  -8.693  -6.203
   33   1HD2  LEU   6          3HD2      LEU   6  -2.465  -5.882  -5.421
   34   2HD2  LEU   6          1HD2      LEU   6  -2.470  -5.242  -7.081
   35   3HD2  LEU   6          2HD2      LEU   6  -3.030  -6.895  -6.767
   36    H    TYR   7           H        TYR   7   2.887  -5.440  -5.564
   37    HA   TYR   7           HA       TYR   7   3.355  -2.857  -4.821
   38   1HB   TYR   7          1HB       TYR   7   4.244  -4.865  -3.677
   39   2HB   TYR   7          2HB       TYR   7   5.536  -4.939  -4.880
   40    HD1  TYR   7           HD2      TYR   7   3.910  -2.686  -2.356
   41    HD2  TYR   7           HD1      TYR   7   7.451  -3.446  -4.696
   42    HE1  TYR   7           HE2      TYR   7   4.976  -0.655  -1.418
   43    HE2  TYR   7           HE1      TYR   7   8.557  -1.501  -3.645
   44    HH   TYR   7           HH       TYR   7   8.175   0.491  -2.500
   45    H    LYS   8           HN       LYS   8   4.954  -4.528  -7.528
   46    HA   LYS   8           HA       LYS   8   6.912  -2.745  -8.285
   47   1HB   LYS   8          2HB       LYS   8   4.919  -4.190 -10.064
   48   2HB   LYS   8          1HB       LYS   8   6.354  -3.354 -10.667
   49   1HG   LYS   8          2HG       LYS   8   7.834  -4.792  -9.371
   50   2HG   LYS   8          1HG       LYS   8   6.451  -5.638  -8.658
   51   1HD   LYS   8          1HD       LYS   8   5.698  -6.290 -10.966
   52   2HD   LYS   8          2HD       LYS   8   7.174  -5.573 -11.625
   53   1HE   LYS   8          2HE       LYS   8   7.055  -7.864  -9.596
   54   2HE   LYS   8          1HE       LYS   8   7.348  -8.043 -11.334
   55   1HZ   LYS   8          1HZ       LYS   8   9.324  -6.721 -11.076
   56   2HZ   LYS   8          2HZ       LYS   8   9.068  -6.588  -9.453
   57   3HZ   LYS   8          3HZ       LYS   8   9.377  -8.062 -10.119
   58    H    SER   9           H        SER   9   3.398  -2.256  -8.719
   59    HA   SER   9           HA       SER   9   3.630   0.097 -10.361
   60   1HB   SER   9          2HB       SER   9   1.267  -0.440  -8.545
   61   2HB   SER   9          1HB       SER   9   1.306   0.163 -10.209
   62    HG   SER   9           HG       SER   9   1.612  -2.472  -9.211
   63    H    CYS  10           H        CYS  10   3.350  -0.555  -6.912
   64    HA   CYS  10           HA       CYS  10   2.598   2.054  -6.006
   65   1HB   CYS  10          2HB       CYS  10   3.898  -0.117  -4.384
   66   2HB   CYS  10          1HB       CYS  10   2.784   1.087  -3.816
   67    H    ILE  11           H        ILE  11   5.609   0.355  -6.572
   68    HA   ILE  11           HA       ILE  11   7.505   1.854  -5.291
   69    HB   ILE  11           HB       ILE  11   7.508   0.827  -8.145
   70   1HG1  ILE  11          2HG1      ILE  11   8.747  -0.190  -5.545
   71   2HG1  ILE  11          1HG1      ILE  11   7.329  -0.870  -6.344
   72   1HG2  ILE  11          3HG2      ILE  11   9.903   1.889  -6.611
   73   2HG2  ILE  11          2HG2      ILE  11   9.970   1.040  -8.166
   74   3HG2  ILE  11          1HG2      ILE  11   9.196   2.602  -8.073
   75   1HD1  ILE  11          1HD1      ILE  11   8.826  -1.361  -8.354
   76   2HD1  ILE  11          3HD1      ILE  11  10.205  -0.993  -7.292
   77   3HD1  ILE  11          2HD1      ILE  11   9.111  -2.317  -6.883
   78    H    GLY  12           H        GLY  12   5.549   2.830  -8.112
   79   1HA   GLY  12          2HA       GLY  12   6.774   5.066  -9.096
   80   2HA   GLY  12          1HA       GLY  12   5.024   4.887  -8.904
   81    H    CYS  13           H        CYS  13   5.017   4.855  -5.959
   82    HA   CYS  13           HA       CYS  13   5.662   7.768  -5.459
   83   1HB   CYS  13          2HB       CYS  13   3.441   5.988  -4.485
   84   2HB   CYS  13          1HB       CYS  13   3.895   7.484  -3.668
   85    H    HIS  14           HN       HIS  14   5.739   4.434  -4.139
   86    HA   HIS  14           HA       HIS  14   6.806   5.362  -1.591
   87   1HB   HIS  14          1HB       HIS  14   5.985   2.718  -2.864
   88   2HB   HIS  14          2HB       HIS  14   6.704   2.839  -1.279
   89    HD1  HIS  14           HD1      HIS  14   5.449   4.892   0.267
   90    HD2  HIS  14           HD2      HIS  14   3.229   3.071  -2.776
   91    HE1  HIS  14           HE1      HIS  14   3.040   5.240   0.827
   92    H    GLY  15           H        GLY  15   8.143   3.951  -4.494
   93   1HA   GLY  15          1HA       GLY  15  10.429   3.884  -5.019
   94   2HA   GLY  15          2HA       GLY  15  10.875   4.123  -3.330
   95    H    ALA  16           H        ALA  16  12.102   2.179  -4.883
   96    HA   ALA  16           HA       ALA  16  11.016  -0.402  -4.910
   97   1HB   ALA  16          3HB       ALA  16  13.914   0.441  -4.457
   98   2HB   ALA  16          1HB       ALA  16  13.361  -1.182  -4.920
   99   3HB   ALA  16          2HB       ALA  16  13.117   0.184  -6.025
  100    H    ASP  17           HN       ASP  17  13.060   1.090  -2.368
  101    HA   ASP  17           HA       ASP  17  12.472  -1.073  -0.470
  102   1HB   ASP  17          1HB       ASP  17  14.039   0.027   0.925
  103   2HB   ASP  17          2HB       ASP  17  14.751  -0.225  -0.674
  104    H    GLY  18           H        GLY  18  10.231   0.518  -1.247
  105   1HA   GLY  18          1HA       GLY  18   8.592   1.999  -0.563
  106   2HA   GLY  18          2HA       GLY  18   8.583   0.830   0.758
  107    H    SER  19           H        SER  19  10.927   3.422   0.019
  108    HA   SER  19           HA       SER  19  10.727   4.364   2.821
  109   1HB   SER  19          2HB       SER  19  12.858   4.747   0.703
  110   2HB   SER  19          1HB       SER  19  12.898   5.440   2.335
  111    HG   SER  19           HG       SER  19  12.515   2.666   1.911
  112    H    LYS  20           HN       LYS  20   9.952   5.711  -0.522
  113    HA   LYS  20           HA       LYS  20  10.449   8.384   0.307
  114   1HB   LYS  20          1HB       LYS  20  10.729   7.665  -1.968
  115   2HB   LYS  20          2HB       LYS  20   9.149   6.870  -1.974
  116   1HG   LYS  20          2HG       LYS  20   8.893   8.693  -3.212
  117   2HG   LYS  20          1HG       LYS  20   8.033   8.961  -1.708
  118   1HD   LYS  20          2HD       LYS  20  10.109  10.349  -0.922
  119   2HD   LYS  20          1HD       LYS  20  10.739  10.154  -2.563
  120   1HE   LYS  20          1HE       LYS  20   9.699  12.324  -2.408
  121   2HE   LYS  20          2HE       LYS  20   8.662  11.313  -3.429
  122   1HZ   LYS  20          1HZ       LYS  20   8.247  11.863  -0.565
  123   2HZ   LYS  20          3HZ       LYS  20   7.422  12.568  -1.802
  124   3HZ   LYS  20          2HZ       LYS  20   7.251  10.966  -1.523
  125    H    ALA  21           H        ALA  21   9.061   9.660   1.396
  126    HA   ALA  21           HA       ALA  21   6.628   8.623   2.526
  127   1HB   ALA  21          2HB       ALA  21   8.266  10.061   3.711
  128   2HB   ALA  21          1HB       ALA  21   7.832  11.417   2.646
  129   3HB   ALA  21          3HB       ALA  21   6.634  10.727   3.760
  130    H    ALA  22           H        ALA  22   6.240   8.535  -0.129
  131    HA   ALA  22           HA       ALA  22   5.269   9.420  -2.033
  132   1HB   ALA  22          3HB       ALA  22   4.025   7.636  -0.895
  133   2HB   ALA  22          2HB       ALA  22   3.015   8.856  -0.093
  134   3HB   ALA  22          1HB       ALA  22   2.995   8.688  -1.868
  135    H    MET  23           H        MET  23   2.350  10.569  -1.468
  136    HA   MET  23           HA       MET  23   3.033  13.178  -2.412
  137   1HB   MET  23          1HB       MET  23   0.371  12.063  -1.473
  138   2HB   MET  23          2HB       MET  23   0.612  13.618  -2.285
  139   1HG   MET  23          2HG       MET  23   1.623  12.355  -4.236
  140   2HG   MET  23          1HG       MET  23   1.125  10.871  -3.417
  141   1HE   MET  23          3HE       MET  23  -0.296  14.390  -4.473
  142   2HE   MET  23          2HE       MET  23   0.117  13.516  -5.972
  143   3HE   MET  23          1HE       MET  23  -1.582  13.867  -5.585
  144    H    GLY  24           H        GLY  24   4.510  13.585  -0.478
  145   1HA   GLY  24          1HA       GLY  24   4.968  15.288   1.010
  146   2HA   GLY  24          2HA       GLY  24   3.293  15.823   0.886
  147    H    SER  25           H        SER  25   5.288  13.232   2.353
  148    HA   SER  25           HA       SER  25   5.527  12.649   4.518
  149   1HB   SER  25          1HB       SER  25   3.352  14.589   5.355
  150   2HB   SER  25          2HB       SER  25   4.548  13.777   6.359
  151    HG   SER  25           HG       SER  25   5.148  15.947   5.710
  152    H    ALA  26           H        ALA  26   4.628  10.805   3.266
  153    HA   ALA  26           HA       ALA  26   2.203   9.657   4.591
  154   1HB   ALA  26          2HB       ALA  26   3.980   8.712   2.284
  155   2HB   ALA  26          1HB       ALA  26   2.604   7.830   2.922
  156   3HB   ALA  26          3HB       ALA  26   2.355   9.416   2.133
  157    H    LYS  27           HN       LYS  27   2.538   7.920   6.114
  158    HA   LYS  27           HA       LYS  27   5.095   7.582   7.324
  159   1HB   LYS  27          1HB       LYS  27   2.788   5.622   7.154
  160   2HB   LYS  27          2HB       LYS  27   4.183   5.436   8.209
  161   1HG   LYS  27          1HG       LYS  27   3.661   7.358   9.476
  162   2HG   LYS  27          2HG       LYS  27   2.404   7.887   8.345
  163   1HD   LYS  27          2HD       LYS  27   1.221   5.621   8.892
  164   2HD   LYS  27          1HD       LYS  27   2.366   5.493  10.231
  165   1HE   LYS  27          2HE       LYS  27   0.331   6.474  11.083
  166   2HE   LYS  27          1HE       LYS  27   1.537   7.772  11.028
  167   1HZ   LYS  27          1HZ       LYS  27   0.532   8.449   8.918
  168   2HZ   LYS  27          2HZ       LYS  27  -0.585   7.254   9.054
  169   3HZ   LYS  27          3HZ       LYS  27  -0.560   8.481  10.152
  170    HA   PRO  28           HA       PRO  28   6.825   5.374   3.818
  171   1HB   PRO  28          2HB       PRO  28   8.781   4.326   5.896
  172   2HB   PRO  28          1HB       PRO  28   9.137   4.959   4.265
  173   1HG   PRO  28          2HG       PRO  28   9.548   6.543   6.436
  174   2HG   PRO  28          1HG       PRO  28   8.788   7.210   4.961
  175   1HD   PRO  28          1HD       PRO  28   7.420   6.312   7.510
  176   2HD   PRO  28          2HD       PRO  28   7.139   7.771   6.509
  177    H    VAL  29           H        VAL  29   6.743   3.258   3.051
  178    HA   VAL  29           HA       VAL  29   4.845   1.555   4.479
  179    HB   VAL  29           HB       VAL  29   6.425   1.425   1.856
  180   1HG1  VAL  29          2HG1      VAL  29   5.905  -0.910   2.480
  181   2HG1  VAL  29          1HG1      VAL  29   4.195  -0.461   2.702
  182   3HG1  VAL  29          3HG1      VAL  29   4.950  -0.379   1.097
  183   1HG2  VAL  29          3HG2      VAL  29   4.600   3.161   2.013
  184   2HG2  VAL  29          1HG2      VAL  29   4.224   1.913   0.801
  185   3HG2  VAL  29          2HG2      VAL  29   3.450   1.873   2.393
  186    H    LYS  30           HN       LYS  30   8.238   1.572   3.500
  187    HA   LYS  30           HA       LYS  30   9.287  -0.822   3.590
  188   1HB   LYS  30          1HB       LYS  30  10.508   1.271   3.411
  189   2HB   LYS  30          2HB       LYS  30  10.337   1.558   5.135
  190   1HG   LYS  30          1HG       LYS  30  11.616  -0.659   5.498
  191   2HG   LYS  30          2HG       LYS  30  11.735  -0.779   3.740
  192   1HD   LYS  30          1HD       LYS  30  13.091   1.285   3.674
  193   2HD   LYS  30          2HD       LYS  30  12.908   1.474   5.428
  194   1HE   LYS  30          2HE       LYS  30  15.084   0.462   4.918
  195   2HE   LYS  30          1HE       LYS  30  14.067  -0.712   5.773
  196   1HZ   LYS  30          2HZ       LYS  30  14.503  -0.619   2.871
  197   2HZ   LYS  30          1HZ       LYS  30  15.192  -1.689   3.915
  198   3HZ   LYS  30          3HZ       LYS  30  13.570  -1.731   3.645
  199    H    GLY  31           H        GLY  31   8.288  -2.434   4.858
  200   1HA   GLY  31          2HA       GLY  31   7.746  -3.679   6.652
  201   2HA   GLY  31          1HA       GLY  31   9.283  -3.112   7.286
  202    H    GLN  32           H        GLN  32   6.174  -1.170   6.925
  203    HA   GLN  32           HA       GLN  32   6.263  -0.249   9.604
  204   1HB   GLN  32          1HB       GLN  32   3.546  -0.932   8.431
  205   2HB   GLN  32          2HB       GLN  32   3.997   0.345   9.553
  206   1HG   GLN  32          2HG       GLN  32   5.379   1.325   7.663
  207   2HG   GLN  32          1HG       GLN  32   4.565   0.149   6.610
  208   1HE2  GLN  32          1HE2      GLN  32   2.677   3.456   6.425
  209   2HE2  GLN  32          2HE2      GLN  32   4.402   3.213   6.634
  210    H    GLY  33           H        GLY  33   4.519  -2.825   8.357
  211   1HA   GLY  33          1HA       GLY  33   5.482  -5.117   9.445
  212   2HA   GLY  33          2HA       GLY  33   4.418  -4.628  10.766
  213    H    ALA  34           H        ALA  34   4.314  -6.846   8.661
  214    HA   ALA  34           HA       ALA  34   2.313  -6.741   6.907
  215   1HB   ALA  34          3HB       ALA  34   3.571  -8.755   7.514
  216   2HB   ALA  34          1HB       ALA  34   2.649  -8.883   9.029
  217   3HB   ALA  34          2HB       ALA  34   1.823  -9.083   7.458
  218    H    GLU  35           HN       GLU  35   1.607  -6.873  10.461
  219    HA   GLU  35           HA       GLU  35  -1.194  -7.140  10.230
  220   1HB   GLU  35          1HB       GLU  35   0.716  -5.986  12.333
  221   2HB   GLU  35          2HB       GLU  35  -1.003  -6.235  12.561
  222   1HG   GLU  35          1HG       GLU  35  -0.764  -8.658  12.149
  223   2HG   GLU  35          2HG       GLU  35   0.975  -8.456  11.888
  224    H    GLU  36           HN       GLU  36   0.996  -4.338  10.569
  225    HA   GLU  36           HA       GLU  36  -0.989  -2.260  10.683
  226   1HB   GLU  36          1HB       GLU  36   1.983  -2.352   9.900
  227   2HB   GLU  36          2HB       GLU  36   1.072  -0.881   9.872
  228   1HG   GLU  36          2HG       GLU  36   1.423  -2.669  12.328
  229   2HG   GLU  36          1HG       GLU  36   2.437  -1.277  11.922
  230    H    LEU  37           H        LEU  37   1.220  -3.331   8.142
  231    HA   LEU  37           HA       LEU  37   0.291  -1.832   6.001
  232   1HB   LEU  37          1HB       LEU  37   1.593  -4.566   6.192
  233   2HB   LEU  37          2HB       LEU  37   1.312  -3.745   4.660
  234    HG   LEU  37           HG       LEU  37   2.862  -2.373   6.912
  235   1HD1  LEU  37          1HD2      LEU  37   3.905  -4.216   4.757
  236   2HD1  LEU  37          3HD2      LEU  37   4.932  -3.140   5.732
  237   3HD1  LEU  37          2HD2      LEU  37   4.032  -4.456   6.500
  238   1HD2  LEU  37          1HD1      LEU  37   2.707  -1.993   3.905
  239   2HD2  LEU  37          2HD1      LEU  37   2.170  -0.859   5.170
  240   3HD2  LEU  37          3HD1      LEU  37   3.887  -1.195   4.947
  241    H    TYR  38           HN       TYR  38  -0.829  -5.160   6.959
  242    HA   TYR  38           HA       TYR  38  -2.697  -5.297   4.840
  243   1HB   TYR  38          2HB       TYR  38  -2.053  -7.295   6.107
  244   2HB   TYR  38          1HB       TYR  38  -2.854  -6.649   7.537
  245    HD1  TYR  38           HD1      TYR  38  -3.792  -7.059   3.868
  246    HD2  TYR  38           HE2      TYR  38  -4.883  -7.767   7.984
  247    HE1  TYR  38           HD2      TYR  38  -5.952  -8.003   3.137
  248    HE2  TYR  38           HE1      TYR  38  -7.049  -8.708   7.236
  249    HH   TYR  38           HH       TYR  38  -7.891  -9.176   3.806
  250    H    LYS  39           HN       LYS  39  -3.180  -4.157   8.202
  251    HA   LYS  39           HA       LYS  39  -5.973  -3.714   7.823
  252   1HB   LYS  39          2HB       LYS  39  -4.123  -3.554   9.981
  253   2HB   LYS  39          1HB       LYS  39  -4.510  -1.902   9.689
  254   1HG   LYS  39          2HG       LYS  39  -6.042  -2.699  11.342
  255   2HG   LYS  39          1HG       LYS  39  -6.973  -2.535   9.853
  256   1HD   LYS  39          1HD       LYS  39  -7.584  -4.571  10.973
  257   2HD   LYS  39          2HD       LYS  39  -6.776  -5.026   9.480
  258   1HE   LYS  39          2HE       LYS  39  -5.228  -4.878  12.110
  259   2HE   LYS  39          1HE       LYS  39  -6.255  -6.266  11.733
  260   1HZ   LYS  39          2HZ       LYS  39  -5.012  -6.574   9.710
  261   2HZ   LYS  39          3HZ       LYS  39  -3.940  -5.404  10.151
  262   3HZ   LYS  39          1HZ       LYS  39  -4.102  -6.750  11.069
  263    H    LYS  40           HN       LYS  40  -3.141  -1.547   7.459
  264    HA   LYS  40           HA       LYS  40  -4.599   0.797   6.875
  265   1HB   LYS  40          1HB       LYS  40  -1.750  -0.154   6.374
  266   2HB   LYS  40          2HB       LYS  40  -2.311   1.501   6.240
  267   1HG   LYS  40          2HG       LYS  40  -2.535  -0.052   8.869
  268   2HG   LYS  40          1HG       LYS  40  -1.104   0.863   8.384
  269   1HD   LYS  40          2HD       LYS  40  -2.501   2.881   8.226
  270   2HD   LYS  40          1HD       LYS  40  -3.934   1.970   8.727
  271   1HE   LYS  40          1HE       LYS  40  -2.993   3.228  10.598
  272   2HE   LYS  40          2HE       LYS  40  -2.839   1.491  10.914
  273   1HZ   LYS  40          3HZ       LYS  40  -0.681   3.131   9.776
  274   2HZ   LYS  40          2HZ       LYS  40  -0.855   2.847  11.398
  275   3HZ   LYS  40          1HZ       LYS  40  -0.572   1.599  10.370
  276    H    MET  41           H        MET  41  -3.052  -1.727   4.776
  277    HA   MET  41           HA       MET  41  -3.693  -0.314   2.375
  278   1HB   MET  41          1HB       MET  41  -2.838  -1.975   1.187
  279   2HB   MET  41          2HB       MET  41  -1.865  -2.029   2.649
  280   1HG   MET  41          1HG       MET  41  -2.141  -4.322   2.195
  281   2HG   MET  41          2HG       MET  41  -3.509  -3.991   3.292
  282   1HE   MET  41          1HE       MET  41  -2.188  -3.704  -0.153
  283   2HE   MET  41          3HE       MET  41  -3.336  -4.519  -1.218
  284   3HE   MET  41          2HE       MET  41  -3.638  -2.846  -0.731
  285    H    LYS  42           HN       LYS  42  -5.383  -2.833   4.252
  286    HA   LYS  42           HA       LYS  42  -7.647  -3.020   2.542
  287   1HB   LYS  42          1HB       LYS  42  -6.989  -4.417   4.634
  288   2HB   LYS  42          2HB       LYS  42  -7.814  -3.176   5.582
  289   1HG   LYS  42          1HG       LYS  42  -9.922  -3.649   4.418
  290   2HG   LYS  42          2HG       LYS  42  -9.078  -4.683   3.246
  291   1HD   LYS  42          1HD       LYS  42  -8.351  -6.176   5.132
  292   2HD   LYS  42          2HD       LYS  42  -9.377  -5.235   6.231
  293   1HE   LYS  42          1HE       LYS  42 -11.374  -5.875   4.940
  294   2HE   LYS  42          2HE       LYS  42 -10.365  -6.669   3.713
  295   1HZ   LYS  42          1HZ       LYS  42 -10.556  -7.495   6.518
  296   2HZ   LYS  42          3HZ       LYS  42 -11.270  -8.243   5.234
  297   3HZ   LYS  42          2HZ       LYS  42  -9.625  -8.208   5.356
  298    H    GLY  43           H        GLY  43  -6.848  -0.834   5.254
  299   1HA   GLY  43          2HA       GLY  43  -9.004   0.893   5.385
  300   2HA   GLY  43          1HA       GLY  43  -7.305   1.341   5.634
  301    H    TYR  44           H        TYR  44  -6.224   1.013   3.151
  302    HA   TYR  44           HA       TYR  44  -7.188   3.231   1.617
  303   1HB   TYR  44          1HB       TYR  44  -5.078   1.097   1.056
  304   2HB   TYR  44          2HB       TYR  44  -5.575   2.244  -0.181
  305    HD1  TYR  44           HD2      TYR  44  -5.809   4.740   0.671
  306    HD2  TYR  44           HD1      TYR  44  -2.980   1.832   2.080
  307    HE1  TYR  44           HE2      TYR  44  -4.674   6.494   2.026
  308    HE2  TYR  44           HE1      TYR  44  -1.727   3.636   3.229
  309    HH   TYR  44           HH       TYR  44  -3.484   6.412   4.166
  310    H    ALA  45           H        ALA  45  -7.557  -0.320   1.068
  311    HA   ALA  45           HA       ALA  45  -9.040  -0.027  -1.358
  312   1HB   ALA  45          2HB       ALA  45  -8.210  -2.206  -0.498
  313   2HB   ALA  45          1HB       ALA  45  -9.430  -2.150   0.795
  314   3HB   ALA  45          3HB       ALA  45  -9.938  -2.240  -0.900
  315    H    ASP  46           HN       ASP  46 -10.048   0.193   2.025
  316    HA   ASP  46           HA       ASP  46 -12.840   0.774   1.399
  317   1HB   ASP  46          2HB       ASP  46 -11.264   1.127   3.984
  318   2HB   ASP  46          1HB       ASP  46 -13.024   1.153   3.822
  319    H    GLY  47           H        GLY  47 -10.237   2.632   0.697
  320   1HA   GLY  47          2HA       GLY  47  -9.717   4.804   0.520
  321   2HA   GLY  47          1HA       GLY  47 -11.446   5.017   0.215
  322    H    SER  48           H        SER  48 -10.184   3.942   3.343
  323    HA   SER  48           HA       SER  48 -11.335   6.427   4.572
  324   1HB   SER  48          2HB       SER  48 -10.905   3.642   5.711
  325   2HB   SER  48          1HB       SER  48 -11.630   5.024   6.554
  326    HG   SER  48           HG       SER  48 -12.648   4.014   4.085
  327    H    TYR  49           H        TYR  49  -8.481   4.251   4.703
  328    HA   TYR  49           HA       TYR  49  -7.375   5.649   6.960
  329   1HB   TYR  49          2HB       TYR  49  -6.949   3.300   6.605
  330   2HB   TYR  49          1HB       TYR  49  -6.198   3.628   5.051
  331    HD1  TYR  49           HD1      TYR  49  -5.824   4.923   8.612
  332    HD2  TYR  49           HD2      TYR  49  -3.886   3.485   5.050
  333    HE1  TYR  49           HE1      TYR  49  -3.692   5.938   9.358
  334    HE2  TYR  49           HE2      TYR  49  -1.844   4.699   5.675
  335    HH   TYR  49           HH       TYR  49  -0.711   5.726   7.389
  336    H    GLY  50           H        GLY  50  -7.560   7.902   6.028
  337   1HA   GLY  50          2HA       GLY  50  -5.303   9.295   5.918
  338   2HA   GLY  50          1HA       GLY  50  -5.274   8.663   4.265
  339    H    GLY  51           H        GLY  51  -5.792  10.407   2.993
  340   1HA   GLY  51          1HA       GLY  51  -8.469  11.533   3.153
  341   2HA   GLY  51          2HA       GLY  51  -7.145  12.688   3.445
  342    H    GLU  52           HN       GLU  52  -8.645  13.128   1.328
  343    HA   GLU  52           HA       GLU  52  -8.882  12.363  -1.030
  344   1HB   GLU  52          2HB       GLU  52  -8.508  14.528  -1.963
  345   2HB   GLU  52          1HB       GLU  52  -9.172  14.676  -0.340
  346   1HG   GLU  52          2HG       GLU  52  -6.327  15.271  -1.245
  347   2HG   GLU  52          1HG       GLU  52  -7.534  16.391  -0.632
  348    H    ARG  53           HN       ARG  53  -5.486  13.296  -0.303
  349    HA   ARG  53           HA       ARG  53  -4.336  12.843  -2.784
  350   1HB   ARG  53          2HB       ARG  53  -2.245  12.495  -1.604
  351   2HB   ARG  53          1HB       ARG  53  -3.159  13.842  -0.922
  352   1HG   ARG  53          1HG       ARG  53  -3.874  12.380   0.985
  353   2HG   ARG  53          2HG       ARG  53  -2.922  11.049   0.295
  354   1HD   ARG  53          2HD       ARG  53  -0.887  12.492   0.419
  355   2HD   ARG  53          1HD       ARG  53  -1.849  13.758   1.203
  356    HE   ARG  53           HE       ARG  53  -2.189  11.418   2.731
  357   1HH1  ARG  53          1HH2      ARG  53   0.489  13.525   1.715
  358   2HH1  ARG  53          2HH2      ARG  53   1.332  13.422   3.219
  359   1HH2  ARG  53          2HH1      ARG  53  -0.851  10.996   4.623
  360   2HH2  ARG  53          1HH1      ARG  53   0.700  11.796   4.766
  361    H    LYS  54           HN       LYS  54  -5.487  10.407  -0.518
  362    HA   LYS  54           HA       LYS  54  -4.034   8.207  -1.555
  363   1HB   LYS  54          1HB       LYS  54  -5.503   6.873  -0.279
  364   2HB   LYS  54          2HB       LYS  54  -5.146   8.324   0.666
  365   1HG   LYS  54          2HG       LYS  54  -7.407   9.149   0.354
  366   2HG   LYS  54          1HG       LYS  54  -7.693   8.090  -1.010
  367   1HD   LYS  54          1HD       LYS  54  -8.889   7.137   0.732
  368   2HD   LYS  54          2HD       LYS  54  -7.502   6.103   0.496
  369   1HE   LYS  54          2HE       LYS  54  -7.295   6.267   2.776
  370   2HE   LYS  54          1HE       LYS  54  -6.486   7.782   2.446
  371   1HZ   LYS  54          1HZ       LYS  54  -9.405   7.521   2.847
  372   2HZ   LYS  54          3HZ       LYS  54  -8.356   7.999   4.019
  373   3HZ   LYS  54          2HZ       LYS  54  -8.568   8.925   2.674
  374    H    ALA  55           H        ALA  55  -6.621   9.901  -3.125
  375    HA   ALA  55           HA       ALA  55  -8.283   7.989  -4.076
  376   1HB   ALA  55          3HB       ALA  55  -8.503  10.381  -4.563
  377   2HB   ALA  55          2HB       ALA  55  -7.138  10.302  -5.698
  378   3HB   ALA  55          1HB       ALA  55  -8.646   9.430  -6.054
  379    H    MET  56           H        MET  56  -5.218   8.714  -5.822
  380    HA   MET  56           HA       MET  56  -5.591   6.891  -7.938
  381   1HB   MET  56          2HB       MET  56  -3.044   7.899  -6.568
  382   2HB   MET  56          1HB       MET  56  -3.082   6.944  -8.045
  383   1HG   MET  56          1HG       MET  56  -2.827   9.183  -8.732
  384   2HG   MET  56          2HG       MET  56  -4.465   8.695  -9.149
  385   1HE   MET  56          1HE       MET  56  -2.841  10.072  -5.763
  386   2HE   MET  56          2HE       MET  56  -2.164  11.062  -7.081
  387   3HE   MET  56          3HE       MET  56  -3.303  11.777  -5.916
  388    H    MET  57           H        MET  57  -3.763   6.495  -4.935
  389    HA   MET  57           HA       MET  57  -3.030   3.795  -5.128
  390   1HB   MET  57          2HB       MET  57  -2.031   5.311  -3.569
  391   2HB   MET  57          1HB       MET  57  -3.589   5.654  -2.816
  392   1HG   MET  57          2HG       MET  57  -3.711   3.432  -1.859
  393   2HG   MET  57          1HG       MET  57  -2.258   2.919  -2.725
  394   1HE   MET  57          1HE       MET  57  -3.528   5.884  -0.547
  395   2HE   MET  57          3HE       MET  57  -2.137   6.279   0.484
  396   3HE   MET  57          2HE       MET  57  -2.093   6.647  -1.252
  397    H    THR  58           H        THR  58  -5.991   5.294  -3.758
  398    HA   THR  58           HA       THR  58  -7.182   2.995  -2.624
  399    HB   THR  58           HB       THR  58  -8.479   5.446  -3.890
  400    HG1  THR  58           HG1      THR  58  -7.043   5.846  -2.176
  401   1HG2  THR  58          1HG2      THR  58  -9.677   3.335  -2.080
  402   2HG2  THR  58          2HG2      THR  58 -10.381   4.934  -2.381
  403   3HG2  THR  58          3HG2      THR  58 -10.193   3.782  -3.712
  404    H    ASN  59           H        ASN  59  -7.638   4.453  -5.913
  405    HA   ASN  59           HA       ASN  59  -9.304   2.330  -6.821
  406   1HB   ASN  59          2HB       ASN  59  -8.930   4.620  -7.893
  407   2HB   ASN  59          1HB       ASN  59  -7.475   3.940  -8.629
  408   1HD2  ASN  59          1HD2      ASN  59 -10.121   1.520 -10.242
  409   2HD2  ASN  59          2HD2      ASN  59  -9.074   1.123  -8.892
  410    H    ALA  60           H        ALA  60  -5.730   2.747  -6.838
  411    HA   ALA  60           HA       ALA  60  -5.164   0.524  -8.523
  412   1HB   ALA  60          1HB       ALA  60  -3.521   2.270  -7.967
  413   2HB   ALA  60          3HB       ALA  60  -3.441   1.682  -6.296
  414   3HB   ALA  60          2HB       ALA  60  -2.904   0.641  -7.627
  415    H    VAL  61           H        VAL  61  -5.075   0.666  -4.894
  416    HA   VAL  61           HA       VAL  61  -4.690  -2.151  -4.641
  417    HB   VAL  61           HB       VAL  61  -5.251  -1.927  -2.318
  418   1HG1  VAL  61          3HG2      VAL  61  -3.018  -1.222  -3.092
  419   2HG1  VAL  61          1HG2      VAL  61  -3.580   0.456  -3.234
  420   3HG1  VAL  61          2HG2      VAL  61  -3.533  -0.331  -1.648
  421   1HG2  VAL  61          2HG1      VAL  61  -7.166  -0.389  -2.454
  422   2HG2  VAL  61          3HG1      VAL  61  -5.952   0.154  -1.288
  423   3HG2  VAL  61          1HG1      VAL  61  -6.082   0.942  -2.864
  424    H    LYS  62           HN       LYS  62  -7.681  -0.219  -5.045
  425    HA   LYS  62           HA       LYS  62  -9.492  -2.221  -4.251
  426   1HB   LYS  62          1HB       LYS  62 -10.086   0.074  -4.599
  427   2HB   LYS  62          2HB       LYS  62  -9.789  -0.031  -6.342
  428   1HG   LYS  62          1HG       LYS  62 -11.617  -1.539  -6.673
  429   2HG   LYS  62          2HG       LYS  62 -11.838  -1.788  -4.946
  430   1HD   LYS  62          2HD       LYS  62 -12.338   0.794  -6.514
  431   2HD   LYS  62          1HD       LYS  62 -13.566  -0.305  -5.880
  432   1HE   LYS  62          1HE       LYS  62 -11.715   1.519  -4.284
  433   2HE   LYS  62          2HE       LYS  62 -13.471   1.584  -4.403
  434   1HZ   LYS  62          2HZ       LYS  62 -11.955  -0.616  -3.190
  435   2HZ   LYS  62          1HZ       LYS  62 -12.686   0.583  -2.354
  436   3HZ   LYS  62          3HZ       LYS  62 -13.598  -0.480  -3.234
  437    H    LYS  63           HN       LYS  63  -7.407  -2.154  -7.113
  438    HA   LYS  63           HA       LYS  63  -9.102  -3.973  -8.600
  439   1HB   LYS  63          2HB       LYS  63  -6.147  -3.446  -8.987
  440   2HB   LYS  63          1HB       LYS  63  -7.253  -4.166 -10.145
  441   1HG   LYS  63          1HG       LYS  63  -7.065  -1.314  -9.191
  442   2HG   LYS  63          2HG       LYS  63  -6.900  -1.907 -10.829
  443   1HD   LYS  63          2HD       LYS  63  -9.539  -1.836  -9.250
  444   2HD   LYS  63          1HD       LYS  63  -8.956  -0.605 -10.346
  445   1HE   LYS  63          1HE       LYS  63 -10.511  -1.863 -11.600
  446   2HE   LYS  63          2HE       LYS  63  -8.909  -2.266 -12.232
  447   1HZ   LYS  63          1HZ       LYS  63 -10.481  -3.883 -10.342
  448   2HZ   LYS  63          2HZ       LYS  63 -10.320  -4.173 -11.955
  449   3HZ   LYS  63          3HZ       LYS  63  -9.013  -4.297 -10.966
  450    H    ALA  64           H        ALA  64  -7.016  -4.371  -5.875
  451    HA   ALA  64           HA       ALA  64  -6.003  -7.028  -6.549
  452   1HB   ALA  64          2HB       ALA  64  -4.711  -5.190  -5.367
  453   2HB   ALA  64          1HB       ALA  64  -5.794  -5.408  -3.986
  454   3HB   ALA  64          3HB       ALA  64  -4.745  -6.730  -4.494
  455    H    SER  65           H        SER  65  -6.669  -8.926  -5.523
  456    HA   SER  65           HA       SER  65  -9.345  -8.869  -4.212
  457   1HB   SER  65          1HB       SER  65  -9.373 -11.264  -4.602
  458   2HB   SER  65          2HB       SER  65  -8.985 -10.423  -6.110
  459    HG   SER  65           HG       SER  65  -7.535 -12.235  -4.738
  460    H    ASP  66           HN       ASP  66  -9.524 -10.371  -2.194
  461    HA   ASP  66           HA       ASP  66  -7.918  -9.363  -0.209
  462   1HB   ASP  66          1HB       ASP  66 -10.052 -10.484   0.231
  463   2HB   ASP  66          2HB       ASP  66  -9.304 -12.055  -0.122
  464    H    GLU  67           HN       GLU  67  -7.182 -12.340  -2.098
  465    HA   GLU  67           HA       GLU  67  -5.103 -13.344  -0.539
  466   1HB   GLU  67          1HB       GLU  67  -5.584 -13.342  -3.577
  467   2HB   GLU  67          2HB       GLU  67  -4.528 -14.367  -2.649
  468   1HG   GLU  67          2HG       GLU  67  -6.371 -15.737  -3.032
  469   2HG   GLU  67          1HG       GLU  67  -6.554 -15.218  -1.353
  470    H    GLU  68           HN       GLU  68  -5.207 -11.057  -3.238
  471    HA   GLU  68           HA       GLU  68  -2.396 -10.525  -3.396
  472   1HB   GLU  68          1HB       GLU  68  -4.755  -8.873  -4.257
  473   2HB   GLU  68          2HB       GLU  68  -3.150  -8.647  -4.850
  474   1HG   GLU  68          2HG       GLU  68  -4.907 -11.099  -5.336
  475   2HG   GLU  68          1HG       GLU  68  -4.643  -9.777  -6.459
  476    H    LEU  69           H        LEU  69  -5.174  -8.870  -1.765
  477    HA   LEU  69           HA       LEU  69  -3.757  -6.652  -0.746
  478   1HB   LEU  69          1HB       LEU  69  -6.039  -8.228   0.537
  479   2HB   LEU  69          2HB       LEU  69  -5.505  -6.681   1.112
  480    HG   LEU  69           HG       LEU  69  -6.874  -7.233  -1.543
  481   1HD1  LEU  69          1HD2      LEU  69  -8.320  -7.362   0.523
  482   2HD1  LEU  69          3HD2      LEU  69  -7.810  -5.725   0.939
  483   3HD1  LEU  69          2HD2      LEU  69  -8.750  -6.013  -0.539
  484   1HD2  LEU  69          3HD1      LEU  69  -5.324  -5.226  -1.685
  485   2HD2  LEU  69          1HD1      LEU  69  -7.033  -4.891  -1.957
  486   3HD2  LEU  69          2HD1      LEU  69  -6.322  -4.466  -0.417
  487    H    LYS  70           HN       LYS  70  -4.383  -9.791   0.888
  488    HA   LYS  70           HA       LYS  70  -2.821  -9.267   3.212
  489   1HB   LYS  70          1HB       LYS  70  -3.559 -11.834   1.764
  490   2HB   LYS  70          2HB       LYS  70  -2.730 -11.806   3.337
  491   1HG   LYS  70          2HG       LYS  70  -4.596 -10.494   4.299
  492   2HG   LYS  70          1HG       LYS  70  -5.476 -10.602   2.770
  493   1HD   LYS  70          2HD       LYS  70  -4.731 -12.904   4.640
  494   2HD   LYS  70          1HD       LYS  70  -6.325 -12.195   4.368
  495   1HE   LYS  70          2HE       LYS  70  -6.493 -14.070   3.049
  496   2HE   LYS  70          1HE       LYS  70  -5.959 -12.884   1.853
  497   1HZ   LYS  70          3HZ       LYS  70  -3.714 -13.739   2.182
  498   2HZ   LYS  70          2HZ       LYS  70  -4.273 -14.834   3.276
  499   3HZ   LYS  70          1HZ       LYS  70  -4.748 -14.926   1.702
  500    H    ALA  71           H        ALA  71  -1.988 -10.854   0.094
  501    HA   ALA  71           HA       ALA  71   0.715 -11.336   0.800
  502   1HB   ALA  71          3HB       ALA  71  -0.478 -12.481  -1.034
  503   2HB   ALA  71          2HB       ALA  71  -0.522 -10.957  -1.951
  504   3HB   ALA  71          1HB       ALA  71   1.038 -11.733  -1.575
  505    H    LEU  72           H        LEU  72  -0.853  -8.264  -0.310
  506    HA   LEU  72           HA       LEU  72   1.602  -7.130  -1.266
  507   1HB   LEU  72          2HB       LEU  72  -1.213  -6.559  -1.257
  508   2HB   LEU  72          1HB       LEU  72  -0.507  -5.313  -0.331
  509    HG   LEU  72           HG       LEU  72   0.244  -6.248  -3.158
  510   1HD1  LEU  72          2HD2      LEU  72  -1.295  -3.803  -2.251
  511   2HD1  LEU  72          3HD2      LEU  72  -0.830  -4.137  -3.917
  512   3HD1  LEU  72          1HD2      LEU  72  -1.959  -5.222  -3.088
  513   1HD2  LEU  72          2HD1      LEU  72   1.279  -3.801  -1.684
  514   2HD2  LEU  72          3HD1      LEU  72   2.240  -5.201  -2.196
  515   3HD2  LEU  72          1HD1      LEU  72   1.523  -4.135  -3.408
  516    H    ALA  73           H        ALA  73  -0.409  -7.031   1.696
  517    HA   ALA  73           HA       ALA  73   1.284  -5.440   3.267
  518   1HB   ALA  73          2HB       ALA  73  -0.984  -6.210   3.886
  519   2HB   ALA  73          3HB       ALA  73  -0.354  -7.833   4.217
  520   3HB   ALA  73          1HB       ALA  73   0.211  -6.463   5.183
  521    H    ASP  74           HN       ASP  74   1.290  -9.050   2.995
  522    HA   ASP  74           HA       ASP  74   3.557  -9.548   4.527
  523   1HB   ASP  74          1HB       ASP  74   2.156 -11.337   3.621
  524   2HB   ASP  74          2HB       ASP  74   2.697 -10.959   1.975
  525    H    TYR  75           H        TYR  75   3.511  -8.796   0.961
  526    HA   TYR  75           HA       TYR  75   6.282  -8.989   0.593
  527   1HB   TYR  75          1HB       TYR  75   4.428  -8.784  -1.130
  528   2HB   TYR  75          2HB       TYR  75   4.430  -7.053  -0.866
  529    HD1  TYR  75           HD1      TYR  75   6.612  -9.951  -1.810
  530    HD2  TYR  75           HD2      TYR  75   6.043  -5.684  -2.019
  531    HE1  TYR  75           HE1      TYR  75   8.564  -9.768  -3.319
  532    HE2  TYR  75           HE2      TYR  75   7.967  -5.518  -3.587
  533    HH   TYR  75           HH       TYR  75   9.906  -8.347  -4.548
  534    H    MET  76           H        MET  76   4.380  -5.909   1.090
  535    HA   MET  76           HA       MET  76   6.436  -4.131   1.421
  536   1HB   MET  76          2HB       MET  76   3.609  -4.437   2.546
  537   2HB   MET  76          1HB       MET  76   4.599  -2.994   2.674
  538   1HG   MET  76          2HG       MET  76   4.875  -3.132   0.145
  539   2HG   MET  76          1HG       MET  76   3.599  -4.296   0.102
  540   1HE   MET  76          2HE       MET  76   1.131  -3.912   0.694
  541   2HE   MET  76          1HE       MET  76   1.503  -3.240   2.296
  542   3HE   MET  76          3HE       MET  76   0.428  -2.364   1.188
  543    H    SER  77           H        SER  77   5.097  -6.413   3.787
  544    HA   SER  77           HA       SER  77   6.523  -5.331   6.036
  545   1HB   SER  77          1HB       SER  77   4.438  -6.725   6.125
  546   2HB   SER  77          2HB       SER  77   5.440  -8.139   5.758
  547    HG   SER  77           HG       SER  77   6.750  -7.444   7.602
  548    H    LYS  78           HN       LYS  78   7.956  -6.773   3.338
  549    HA   LYS  78           HA       LYS  78  10.191  -7.899   4.952
  550   1HB   LYS  78          2HB       LYS  78   8.811  -9.125   2.517
  551   2HB   LYS  78          1HB       LYS  78  10.342  -9.686   3.227
  552   1HG   LYS  78          2HG       LYS  78   9.263 -10.414   5.240
  553   2HG   LYS  78          1HG       LYS  78   7.756  -9.597   4.824
  554   1HD   LYS  78          2HD       LYS  78   7.534 -11.978   4.516
  555   2HD   LYS  78          1HD       LYS  78   7.281 -11.105   3.008
  556   1HE   LYS  78          1HE       LYS  78   9.992 -12.328   3.689
  557   2HE   LYS  78          2HE       LYS  78   8.685 -13.300   2.995
  558   1HZ   LYS  78          1HZ       LYS  78   8.589 -11.832   1.145
  559   2HZ   LYS  78          2HZ       LYS  78   9.813 -10.907   1.739
  560   3HZ   LYS  78          3HZ       LYS  78  10.100 -12.468   1.303
  561    H    LEU  79           H        LEU  79   9.715  -5.223   3.921
  562    HA   LEU  79           HA       LEU  79  11.588  -5.054   1.697
  563   1HB   LEU  79          2HB       LEU  79   8.721  -4.800   1.804
  564   2HB   LEU  79          1HB       LEU  79   9.308  -3.168   1.909
  565    HG   LEU  79           HG       LEU  79  10.038  -5.331  -0.137
  566   1HD1  LEU  79          3HD2      LEU  79   8.120  -2.965  -0.406
  567   2HD1  LEU  79          2HD2      LEU  79   8.640  -4.004  -1.750
  568   3HD1  LEU  79          1HD2      LEU  79   7.699  -4.694  -0.419
  569   1HD2  LEU  79          1HD1      LEU  79  11.799  -3.575   0.116
  570   2HD2  LEU  79          3HD1      LEU  79  11.004  -3.495  -1.464
  571   3HD2  LEU  79          2HD1      LEU  79  10.551  -2.340  -0.169
  572    HHA  HEC   1           HHA      HEM   1   1.249   5.183   3.445
  573    HHB  HEC   1           HHB      HEM   1  -0.059  -0.206   0.349
  574    HHC  HEC   1           HHC      HEM   1   0.665   2.936  -5.176
  575    HHD  HEC   1           HHD      HEM   1   0.543   8.448  -1.948
  576   1HMA  HEC   1          1HMA      HEM   1   0.317   0.059   4.118
  577   2HMA  HEC   1          2HMA      HEM   1  -0.523  -0.404   2.641
  578   3HMA  HEC   1          3HMA      HEM   1   1.245  -0.603   2.747
  579   1HAA  HEC   1          1HAA      HEM   1   2.017   1.814   4.768
  580   2HAA  HEC   1          2HAA      HEM   1   1.924   3.555   4.651
  581   1HBA  HEC   1          1HBA      HEM   1  -0.750   2.814   5.030
  582   2HBA  HEC   1          2HBA      HEM   1   0.101   1.579   5.948
  583   1HMB  HEC   1          1HMB      HEM   1   0.588  -1.661  -1.370
  584   2HMB  HEC   1          2HMB      HEM   1  -0.082  -1.915  -2.973
  585   3HMB  HEC   1          3HMB      HEM   1  -1.162  -1.488  -1.623
  586    HAB  HEC   1           HAB      HEM   1   0.363   0.933  -5.679
  587   1HBB  HEC   1          1HBB      HEM   1  -1.258  -1.434  -4.729
  588   2HBB  HEC   1          2HBB      HEM   1  -1.949   0.119  -5.230
  589   3HBB  HEC   1          3HBB      HEM   1  -1.004  -0.858  -6.376
  590   1HMC  HEC   1          1HMC      HEM   1   0.833   6.288  -6.850
  591   2HMC  HEC   1          2HMC      HEM   1   1.821   4.852  -6.537
  592   3HMC  HEC   1          3HMC      HEM   1   0.045   4.730  -6.607
  593    HAC  HEC   1           HAC      HEM   1   1.650   8.755  -3.857
  594   1HBC  HEC   1          1HBC      HEM   1   0.479   9.784  -5.763
  595   2HBC  HEC   1          2HBC      HEM   1  -0.663   8.978  -4.656
  596   3HBC  HEC   1          3HBC      HEM   1  -0.220   8.217  -6.196
  597   1HMD  HEC   1          1HMD      HEM   1  -0.784   9.587  -0.329
  598   2HMD  HEC   1          2HMD      HEM   1   0.798  10.042   0.352
  599   3HMD  HEC   1          3HMD      HEM   1  -0.615   9.854   1.406
  600   1HAD  HEC   1          1HAD      HEM   1   0.345   8.859   3.380
  601   2HAD  HEC   1          2HAD      HEM   1  -1.199   8.059   3.264
  602   1HBD  HEC   1          1HBD      HEM   1  -0.378   6.145   4.604
  603   2HBD  HEC   1          2HBD      HEM   1   1.249   6.863   4.665
   
  No H/Q in entry =         603
  Start of MODEL   34
    1   1H    ALA   1          3H        ALA   1  -3.097 -14.230  -8.057
    2   2H    ALA   1          1H        ALA   1  -3.474 -12.675  -8.330
    3   3H    ALA   1          2H        ALA   1  -3.290 -13.705  -9.640
    4    HA   ALA   1           HA       ALA   1  -0.974 -13.968  -9.125
    5   1HB   ALA   1          2HB       ALA   1  -1.617 -11.940 -10.461
    6   2HB   ALA   1          3HB       ALA   1  -1.699 -11.002  -8.956
    7   3HB   ALA   1          1HB       ALA   1  -0.155 -11.692  -9.501
    8    H    ASP   2           HN       ASP   2   0.431 -11.783  -7.518
    9    HA   ASP   2           HA       ASP   2  -0.602 -12.165  -4.825
   10   1HB   ASP   2          2HB       ASP   2   1.252 -13.212  -3.885
   11   2HB   ASP   2          1HB       ASP   2   0.996 -14.160  -5.351
   12    H    GLY   3           H        GLY   3   0.106 -10.542  -3.510
   13   1HA   GLY   3          2HA       GLY   3   0.493  -8.096  -4.059
   14   2HA   GLY   3          1HA       GLY   3   1.376  -8.788  -2.693
   15    H    ALA   4           H        ALA   4   3.385 -10.263  -4.336
   16    HA   ALA   4           HA       ALA   4   5.313  -8.187  -4.533
   17   1HB   ALA   4          1HB       ALA   4   5.854 -10.615  -4.261
   18   2HB   ALA   4          3HB       ALA   4   5.321 -10.900  -5.934
   19   3HB   ALA   4          2HB       ALA   4   6.728  -9.867  -5.614
   20    H    ALA   5           H        ALA   5   3.121  -9.583  -6.968
   21    HA   ALA   5           HA       ALA   5   4.348  -8.279  -9.236
   22   1HB   ALA   5          1HB       ALA   5   2.879 -10.244  -9.475
   23   2HB   ALA   5          2HB       ALA   5   1.503  -9.312  -8.846
   24   3HB   ALA   5          3HB       ALA   5   2.252  -8.857 -10.389
   25    H    LEU   6           H        LEU   6   1.527  -7.475  -7.074
   26    HA   LEU   6           HA       LEU   6   0.599  -5.180  -8.285
   27   1HB   LEU   6          2HB       LEU   6   0.667  -6.362  -5.499
   28   2HB   LEU   6          1HB       LEU   6  -0.009  -4.808  -5.844
   29    HG   LEU   6           HG       LEU   6  -1.593  -5.749  -7.423
   30   1HD1  LEU   6          3HD2      LEU   6  -0.433  -8.461  -6.695
   31   2HD1  LEU   6          1HD2      LEU   6  -1.969  -8.202  -7.545
   32   3HD1  LEU   6          2HD2      LEU   6  -0.461  -7.713  -8.313
   33   1HD2  LEU   6          1HD1      LEU   6  -2.114  -5.577  -4.974
   34   2HD2  LEU   6          3HD1      LEU   6  -2.976  -6.898  -5.761
   35   3HD2  LEU   6          2HD1      LEU   6  -1.542  -7.238  -4.750
   36    H    TYR   7           H        TYR   7   3.115  -5.691  -5.760
   37    HA   TYR   7           HA       TYR   7   3.482  -3.119  -5.004
   38   1HB   TYR   7          1HB       TYR   7   4.522  -5.091  -3.939
   39   2HB   TYR   7          2HB       TYR   7   5.773  -5.070  -5.188
   40    HD1  TYR   7           HD1      TYR   7   4.138  -3.025  -2.503
   41    HD2  TYR   7           HD2      TYR   7   7.576  -3.423  -5.076
   42    HE1  TYR   7           HE1      TYR   7   5.024  -0.871  -1.663
   43    HE2  TYR   7           HE2      TYR   7   8.507  -1.326  -4.148
   44    HH   TYR   7           HH       TYR   7   8.114   0.510  -2.807
   45    H    LYS   8           HN       LYS   8   4.799  -4.512  -7.987
   46    HA   LYS   8           HA       LYS   8   6.880  -2.743  -8.565
   47   1HB   LYS   8          2HB       LYS   8   4.816  -3.915 -10.468
   48   2HB   LYS   8          1HB       LYS   8   6.361  -3.186 -10.948
   49   1HG   LYS   8          2HG       LYS   8   7.547  -4.883  -9.501
   50   2HG   LYS   8          1HG       LYS   8   6.003  -5.705  -9.248
   51   1HD   LYS   8          2HD       LYS   8   7.368  -5.232 -11.941
   52   2HD   LYS   8          1HD       LYS   8   7.338  -6.752 -11.032
   53   1HE   LYS   8          1HE       LYS   8   4.825  -6.766 -11.209
   54   2HE   LYS   8          2HE       LYS   8   4.919  -5.330 -12.245
   55   1HZ   LYS   8          2HZ       LYS   8   6.140  -7.933 -12.819
   56   2HZ   LYS   8          1HZ       LYS   8   4.778  -7.319 -13.515
   57   3HZ   LYS   8          3HZ       LYS   8   6.233  -6.593 -13.777
   58    H    SER   9           H        SER   9   3.400  -2.292  -9.307
   59    HA   SER   9           HA       SER   9   3.499   0.142 -10.600
   60   1HB   SER   9          2HB       SER   9   1.155  -0.341  -8.826
   61   2HB   SER   9          1HB       SER   9   1.233  -0.084 -10.573
   62    HG   SER   9           HG       SER   9   1.548  -2.457  -9.059
   63    H    CYS  10           H        CYS  10   4.114  -0.378  -7.237
   64    HA   CYS  10           HA       CYS  10   3.156   2.259  -6.340
   65   1HB   CYS  10          2HB       CYS  10   4.657   0.255  -4.721
   66   2HB   CYS  10          1HB       CYS  10   3.428   1.361  -4.169
   67    H    ILE  11           H        ILE  11   6.069   0.699  -7.390
   68    HA   ILE  11           HA       ILE  11   8.033   2.270  -6.023
   69    HB   ILE  11           HB       ILE  11   8.046   1.084  -8.800
   70   1HG1  ILE  11          1HG1      ILE  11   9.094  -0.062  -6.155
   71   2HG1  ILE  11          2HG1      ILE  11   7.629  -0.609  -6.972
   72   1HG2  ILE  11          3HG2      ILE  11   9.846   2.762  -8.517
   73   2HG2  ILE  11          2HG2      ILE  11  10.394   1.935  -7.044
   74   3HG2  ILE  11          1HG2      ILE  11  10.531   1.154  -8.631
   75   1HD1  ILE  11          2HD1      ILE  11   9.022  -1.270  -8.956
   76   2HD1  ILE  11          1HD1      ILE  11  10.471  -0.966  -7.964
   77   3HD1  ILE  11          3HD1      ILE  11   9.306  -2.198  -7.469
   78    H    GLY  12           H        GLY  12   8.836   4.332  -6.580
   79   1HA   GLY  12          1HA       GLY  12   8.928   6.252  -8.027
   80   2HA   GLY  12          2HA       GLY  12   7.330   5.868  -8.684
   81    H    CYS  13           H        CYS  13   5.935   5.166  -6.149
   82    HA   CYS  13           HA       CYS  13   5.843   7.918  -4.973
   83   1HB   CYS  13          1HB       CYS  13   3.881   5.676  -5.278
   84   2HB   CYS  13          2HB       CYS  13   3.824   6.709  -3.861
   85    H    HIS  14           HN       HIS  14   6.276   4.458  -4.237
   86    HA   HIS  14           HA       HIS  14   7.144   5.164  -1.460
   87   1HB   HIS  14          2HB       HIS  14   6.179   2.604  -2.759
   88   2HB   HIS  14          1HB       HIS  14   6.717   2.754  -1.074
   89    HD1  HIS  14           HD1      HIS  14   5.457   4.721   0.353
   90    HD2  HIS  14           HD2      HIS  14   3.571   3.475  -3.153
   91    HE1  HIS  14           HE1      HIS  14   3.014   5.147   0.680
   92    H    GLY  15           H        GLY  15   8.376   3.875  -4.449
   93   1HA   GLY  15          1HA       GLY  15  10.648   3.665  -4.997
   94   2HA   GLY  15          2HA       GLY  15  11.102   3.790  -3.306
   95    H    ALA  16           H        ALA  16  12.253   1.873  -4.966
   96    HA   ALA  16           HA       ALA  16  11.008  -0.704  -4.802
   97   1HB   ALA  16          2HB       ALA  16  12.720  -0.108  -6.470
   98   2HB   ALA  16          3HB       ALA  16  13.933   0.044  -5.176
   99   3HB   ALA  16          1HB       ALA  16  13.194  -1.533  -5.527
  100    H    ASP  17           HN       ASP  17  12.230   1.159  -2.305
  101    HA   ASP  17           HA       ASP  17  12.754  -1.180  -0.511
  102   1HB   ASP  17          1HB       ASP  17  14.738   0.080  -1.139
  103   2HB   ASP  17          2HB       ASP  17  14.005   1.602  -0.637
  104    H    GLY  18           H        GLY  18  10.337   0.442  -1.313
  105   1HA   GLY  18          1HA       GLY  18   8.557   1.623  -0.547
  106   2HA   GLY  18          2HA       GLY  18   8.724   0.526   0.823
  107    H    SER  19           H        SER  19  11.299   2.874   0.422
  108    HA   SER  19           HA       SER  19  10.578   3.993   2.999
  109   1HB   SER  19          1HB       SER  19  13.038   4.785   2.684
  110   2HB   SER  19          2HB       SER  19  12.663   3.068   2.928
  111    HG   SER  19           HG       SER  19  13.823   2.873   1.205
  112    H    LYS  20           HN       LYS  20  10.469   5.259  -0.352
  113    HA   LYS  20           HA       LYS  20  11.049   7.962   0.668
  114   1HB   LYS  20          2HB       LYS  20  10.248   8.815  -1.468
  115   2HB   LYS  20          1HB       LYS  20  11.631   7.713  -1.574
  116   1HG   LYS  20          1HG       LYS  20  10.420   6.042  -2.594
  117   2HG   LYS  20          2HG       LYS  20   8.873   6.629  -1.928
  118   1HD   LYS  20          2HD       LYS  20   8.930   7.018  -4.305
  119   2HD   LYS  20          1HD       LYS  20   8.869   8.544  -3.422
  120   1HE   LYS  20          1HE       LYS  20  11.351   8.799  -3.799
  121   2HE   LYS  20          2HE       LYS  20  11.335   7.274  -4.708
  122   1HZ   LYS  20          2HZ       LYS  20   9.698   8.329  -6.178
  123   2HZ   LYS  20          3HZ       LYS  20   9.906   9.748  -5.379
  124   3HZ   LYS  20          1HZ       LYS  20  11.173   9.082  -6.199
  125    H    ALA  21           H        ALA  21   9.674   9.410   1.506
  126    HA   ALA  21           HA       ALA  21   7.055   8.560   2.406
  127   1HB   ALA  21          2HB       ALA  21   8.493  10.048   3.727
  128   2HB   ALA  21          1HB       ALA  21   8.382  11.298   2.465
  129   3HB   ALA  21          3HB       ALA  21   6.928  10.789   3.354
  130    H    ALA  22           H        ALA  22   5.638   8.186   0.777
  131    HA   ALA  22           HA       ALA  22   5.355   9.651  -1.608
  132   1HB   ALA  22          2HB       ALA  22   4.381   7.395  -1.157
  133   2HB   ALA  22          1HB       ALA  22   3.168   8.146  -0.104
  134   3HB   ALA  22          3HB       ALA  22   3.207   8.530  -1.834
  135    H    MET  23           H        MET  23   3.151  10.716  -2.116
  136    HA   MET  23           HA       MET  23   3.112  13.276  -1.567
  137   1HB   MET  23          2HB       MET  23   0.550  11.638  -1.743
  138   2HB   MET  23          1HB       MET  23   0.695  13.367  -2.050
  139   1HG   MET  23          1HG       MET  23   1.951  11.122  -3.671
  140   2HG   MET  23          2HG       MET  23   0.613  12.151  -4.143
  141   1HE   MET  23          3HE       MET  23   0.777  14.586  -4.905
  142   2HE   MET  23          2HE       MET  23   1.570  15.118  -3.399
  143   3HE   MET  23          1HE       MET  23   2.280  15.532  -4.973
  144    H    GLY  24           H        GLY  24   2.818  14.724  -0.019
  145   1HA   GLY  24          1HA       GLY  24   2.354  15.685   1.991
  146   2HA   GLY  24          2HA       GLY  24   0.904  14.685   2.046
  147    H    SER  25           H        SER  25   4.434  14.117   2.242
  148    HA   SER  25           HA       SER  25   5.706  12.789   3.570
  149   1HB   SER  25          1HB       SER  25   4.095  14.232   5.703
  150   2HB   SER  25          2HB       SER  25   5.711  13.512   5.868
  151    HG   SER  25           HG       SER  25   5.769  15.802   5.399
  152    H    ALA  26           H        ALA  26   4.033  11.065   2.635
  153    HA   ALA  26           HA       ALA  26   2.214   9.756   4.381
  154   1HB   ALA  26          2HB       ALA  26   3.925   8.695   2.103
  155   2HB   ALA  26          1HB       ALA  26   2.542   7.846   2.762
  156   3HB   ALA  26          3HB       ALA  26   2.306   9.407   1.933
  157    H    LYS  27           HN       LYS  27   2.493   7.985   5.967
  158    HA   LYS  27           HA       LYS  27   4.938   7.543   7.208
  159   1HB   LYS  27          2HB       LYS  27   2.188   6.370   6.930
  160   2HB   LYS  27          1HB       LYS  27   3.402   5.282   7.519
  161   1HG   LYS  27          2HG       LYS  27   2.099   6.365   9.201
  162   2HG   LYS  27          1HG       LYS  27   3.817   6.677   9.461
  163   1HD   LYS  27          1HD       LYS  27   1.776   8.626   8.228
  164   2HD   LYS  27          2HD       LYS  27   2.122   8.538   9.944
  165   1HE   LYS  27          1HE       LYS  27   4.040   9.509   7.789
  166   2HE   LYS  27          2HE       LYS  27   3.270  10.421   9.070
  167   1HZ   LYS  27          3HZ       LYS  27   4.485   9.128  10.671
  168   2HZ   LYS  27          1HZ       LYS  27   5.239   8.287   9.470
  169   3HZ   LYS  27          2HZ       LYS  27   5.499   9.905   9.630
  170    HA   PRO  28           HA       PRO  28   6.648   5.457   3.653
  171   1HB   PRO  28          2HB       PRO  28   8.937   4.321   4.748
  172   2HB   PRO  28          1HB       PRO  28   8.784   6.061   4.359
  173   1HG   PRO  28          1HG       PRO  28   8.335   4.714   7.033
  174   2HG   PRO  28          2HG       PRO  28   9.312   6.175   6.697
  175   1HD   PRO  28          1HD       PRO  28   6.772   6.341   7.623
  176   2HD   PRO  28          2HD       PRO  28   7.345   7.502   6.382
  177    H    VAL  29           H        VAL  29   6.653   3.358   2.817
  178    HA   VAL  29           HA       VAL  29   4.746   1.632   4.149
  179    HB   VAL  29           HB       VAL  29   6.444   1.556   1.618
  180   1HG1  VAL  29          1HG1      VAL  29   4.531  -0.618   2.501
  181   2HG1  VAL  29          3HG1      VAL  29   5.247  -0.450   0.876
  182   3HG1  VAL  29          2HG1      VAL  29   6.282  -0.806   2.258
  183   1HG2  VAL  29          2HG2      VAL  29   4.330   2.995   1.818
  184   2HG2  VAL  29          3HG2      VAL  29   4.244   1.779   0.513
  185   3HG2  VAL  29          1HG2      VAL  29   3.420   1.501   2.056
  186    H    LYS  30           HN       LYS  30   8.131   1.471   3.210
  187    HA   LYS  30           HA       LYS  30   9.246  -0.812   3.543
  188   1HB   LYS  30          1HB       LYS  30  10.307   1.370   3.336
  189   2HB   LYS  30          2HB       LYS  30  10.228   1.625   5.056
  190   1HG   LYS  30          1HG       LYS  30  11.672  -0.613   3.526
  191   2HG   LYS  30          2HG       LYS  30  12.452   0.859   4.094
  192   1HD   LYS  30          2HD       LYS  30  11.901   0.136   6.475
  193   2HD   LYS  30          1HD       LYS  30  11.372  -1.423   5.796
  194   1HE   LYS  30          2HE       LYS  30  14.164  -0.252   5.471
  195   2HE   LYS  30          1HE       LYS  30  13.686  -1.562   6.568
  196   1HZ   LYS  30          2HZ       LYS  30  12.948  -2.787   4.605
  197   2HZ   LYS  30          1HZ       LYS  30  13.546  -1.634   3.630
  198   3HZ   LYS  30          3HZ       LYS  30  14.578  -2.486   4.595
  199    H    GLY  31           H        GLY  31   7.965  -2.263   4.846
  200   1HA   GLY  31          2HA       GLY  31   7.106  -3.267   6.678
  201   2HA   GLY  31          1HA       GLY  31   8.778  -3.156   7.245
  202    H    GLN  32           H        GLN  32   6.197  -0.581   6.940
  203    HA   GLN  32           HA       GLN  32   6.764   0.395   9.514
  204   1HB   GLN  32          2HB       GLN  32   4.708   1.696   9.505
  205   2HB   GLN  32          1HB       GLN  32   5.680   1.864   8.040
  206   1HG   GLN  32          1HG       GLN  32   4.214   0.271   6.893
  207   2HG   GLN  32          2HG       GLN  32   3.214   0.165   8.359
  208   1HE2  GLN  32          1HE2      GLN  32   2.718   3.579   6.129
  209   2HE2  GLN  32          2HE2      GLN  32   4.342   2.884   6.212
  210    H    GLY  33           H        GLY  33   4.653  -2.088   8.592
  211   1HA   GLY  33          2HA       GLY  33   5.130  -3.856  10.669
  212   2HA   GLY  33          1HA       GLY  33   3.716  -2.921  11.217
  213    H    ALA  34           H        ALA  34   4.192  -5.892   9.885
  214    HA   ALA  34           HA       ALA  34   2.701  -5.758   7.458
  215   1HB   ALA  34          2HB       ALA  34   3.993  -7.806   8.169
  216   2HB   ALA  34          1HB       ALA  34   2.687  -8.160   9.321
  217   3HB   ALA  34          3HB       ALA  34   2.356  -8.105   7.580
  218    H    GLU  35           HN       GLU  35   1.562  -5.856  10.870
  219    HA   GLU  35           HA       GLU  35  -1.179  -6.279  10.279
  220   1HB   GLU  35          1HB       GLU  35   0.423  -4.968  12.548
  221   2HB   GLU  35          2HB       GLU  35  -1.315  -5.134  12.557
  222   1HG   GLU  35          1HG       GLU  35   0.651  -7.456  12.362
  223   2HG   GLU  35          2HG       GLU  35  -0.219  -6.960  13.819
  224    H    GLU  36           HN       GLU  36   0.765  -3.335  10.903
  225    HA   GLU  36           HA       GLU  36  -1.123  -1.326  10.493
  226   1HB   GLU  36          1HB       GLU  36   1.866  -1.557   9.870
  227   2HB   GLU  36          2HB       GLU  36   1.038  -0.066   9.621
  228   1HG   GLU  36          2HG       GLU  36   1.154  -1.570  12.287
  229   2HG   GLU  36          1HG       GLU  36   2.263  -0.293  11.775
  230    H    LEU  37           H        LEU  37   1.143  -2.713   8.069
  231    HA   LEU  37           HA       LEU  37   0.238  -1.404   5.819
  232   1HB   LEU  37          2HB       LEU  37   1.638  -4.032   6.530
  233   2HB   LEU  37          1HB       LEU  37   1.431  -3.574   4.900
  234    HG   LEU  37           HG       LEU  37   2.877  -1.794   6.900
  235   1HD1  LEU  37          1HD2      LEU  37   3.994  -3.863   4.964
  236   2HD1  LEU  37          3HD2      LEU  37   4.969  -2.624   5.779
  237   3HD1  LEU  37          2HD2      LEU  37   4.142  -3.866   6.727
  238   1HD2  LEU  37          3HD1      LEU  37   2.827  -1.818   3.865
  239   2HD2  LEU  37          1HD1      LEU  37   2.088  -0.581   4.919
  240   3HD2  LEU  37          2HD1      LEU  37   3.837  -0.763   4.855
  241    H    TYR  38           HN       TYR  38  -0.630  -4.708   7.039
  242    HA   TYR  38           HA       TYR  38  -2.399  -5.300   4.954
  243   1HB   TYR  38          2HB       TYR  38  -1.623  -6.999   6.532
  244   2HB   TYR  38          1HB       TYR  38  -2.517  -6.219   7.838
  245    HD1  TYR  38           HE2      TYR  38  -3.078  -7.524   4.338
  246    HD2  TYR  38           HD1      TYR  38  -4.701  -7.021   8.300
  247    HE1  TYR  38           HE1      TYR  38  -5.161  -8.669   3.636
  248    HE2  TYR  38           HD2      TYR  38  -6.765  -8.192   7.602
  249    HH   TYR  38           HH       TYR  38  -7.867  -9.270   5.884
  250    H    LYS  39           HN       LYS  39  -3.149  -3.856   8.129
  251    HA   LYS  39           HA       LYS  39  -5.939  -3.636   7.584
  252   1HB   LYS  39          1HB       LYS  39  -4.112  -2.022   9.435
  253   2HB   LYS  39          2HB       LYS  39  -5.868  -1.900   9.454
  254   1HG   LYS  39          2HG       LYS  39  -4.275  -4.447  10.022
  255   2HG   LYS  39          1HG       LYS  39  -4.935  -3.357  11.243
  256   1HD   LYS  39          2HD       LYS  39  -7.241  -3.811  10.303
  257   2HD   LYS  39          1HD       LYS  39  -6.524  -5.045   9.252
  258   1HE   LYS  39          2HE       LYS  39  -6.437  -5.020  12.307
  259   2HE   LYS  39          1HE       LYS  39  -7.472  -6.043  11.299
  260   1HZ   LYS  39          3HZ       LYS  39  -5.496  -7.046  10.395
  261   2HZ   LYS  39          2HZ       LYS  39  -4.534  -6.117  11.358
  262   3HZ   LYS  39          1HZ       LYS  39  -5.551  -7.217  12.031
  263    H    LYS  40           HN       LYS  40  -3.326  -1.078   7.140
  264    HA   LYS  40           HA       LYS  40  -5.280   0.782   6.185
  265   1HB   LYS  40          1HB       LYS  40  -2.255   0.565   6.246
  266   2HB   LYS  40          2HB       LYS  40  -3.059   1.740   5.247
  267   1HG   LYS  40          2HG       LYS  40  -2.849   3.044   7.115
  268   2HG   LYS  40          1HG       LYS  40  -4.429   2.366   7.423
  269   1HD   LYS  40          2HD       LYS  40  -3.294   2.199   9.478
  270   2HD   LYS  40          1HD       LYS  40  -3.233   0.565   8.819
  271   1HE   LYS  40          2HE       LYS  40  -1.055   1.098   9.701
  272   2HE   LYS  40          1HE       LYS  40  -0.884   1.122   7.940
  273   1HZ   LYS  40          1HZ       LYS  40  -1.126   3.539   8.083
  274   2HZ   LYS  40          2HZ       LYS  40  -1.104   3.431   9.730
  275   3HZ   LYS  40          3HZ       LYS  40   0.204   2.944   8.841
  276    H    MET  41           H        MET  41  -3.089  -1.547   4.477
  277    HA   MET  41           HA       MET  41  -3.840  -0.579   1.910
  278   1HB   MET  41          1HB       MET  41  -2.634  -2.194   0.986
  279   2HB   MET  41          2HB       MET  41  -1.807  -1.954   2.518
  280   1HG   MET  41          1HG       MET  41  -1.757  -4.340   2.153
  281   2HG   MET  41          2HG       MET  41  -3.058  -4.040   3.324
  282   1HE   MET  41          3HE       MET  41  -2.171  -3.966  -0.274
  283   2HE   MET  41          2HE       MET  41  -3.357  -4.940  -1.140
  284   3HE   MET  41          1HE       MET  41  -3.775  -3.287  -0.662
  285    H    LYS  42           HN       LYS  42  -5.213  -3.100   3.992
  286    HA   LYS  42           HA       LYS  42  -7.249  -4.019   2.256
  287   1HB   LYS  42          1HB       LYS  42  -6.581  -5.014   4.493
  288   2HB   LYS  42          2HB       LYS  42  -7.414  -3.702   5.304
  289   1HG   LYS  42          2HG       LYS  42  -8.750  -5.664   3.387
  290   2HG   LYS  42          1HG       LYS  42  -8.598  -5.914   5.127
  291   1HD   LYS  42          1HD       LYS  42  -9.869  -3.764   5.511
  292   2HD   LYS  42          2HD       LYS  42 -10.177  -3.695   3.764
  293   1HE   LYS  42          1HE       LYS  42 -11.245  -5.939   3.860
  294   2HE   LYS  42          2HE       LYS  42 -11.026  -5.946   5.622
  295   1HZ   LYS  42          1HZ       LYS  42 -12.380  -3.967   5.714
  296   2HZ   LYS  42          2HZ       LYS  42 -12.604  -4.005   4.081
  297   3HZ   LYS  42          3HZ       LYS  42 -13.195  -5.219   5.020
  298    H    GLY  43           H        GLY  43  -7.321  -1.449   4.769
  299   1HA   GLY  43          2HA       GLY  43  -9.879  -0.448   4.426
  300   2HA   GLY  43          1HA       GLY  43  -8.474   0.490   4.926
  301    H    TYR  44           H        TYR  44  -6.888   0.539   2.697
  302    HA   TYR  44           HA       TYR  44  -8.072   2.484   1.034
  303   1HB   TYR  44          2HB       TYR  44  -5.576   0.757   0.916
  304   2HB   TYR  44          1HB       TYR  44  -5.978   1.804  -0.407
  305    HD1  TYR  44           HD1      TYR  44  -6.897   4.332   0.840
  306    HD2  TYR  44           HD2      TYR  44  -3.617   1.711   1.856
  307    HE1  TYR  44           HE1      TYR  44  -5.649   6.233   1.734
  308    HE2  TYR  44           HE2      TYR  44  -2.277   3.702   2.493
  309    HH   TYR  44           HH       TYR  44  -2.295   5.930   2.955
  310    H    ALA  45           H        ALA  45  -7.204  -0.956   0.169
  311    HA   ALA  45           HA       ALA  45  -8.382  -0.820  -2.403
  312   1HB   ALA  45          2HB       ALA  45  -6.842  -2.605  -1.658
  313   2HB   ALA  45          1HB       ALA  45  -8.106  -3.232  -0.574
  314   3HB   ALA  45          3HB       ALA  45  -8.335  -3.266  -2.336
  315    H    ASP  46           HN       ASP  46  -9.835  -1.582   0.729
  316    HA   ASP  46           HA       ASP  46 -12.412  -2.424  -0.190
  317   1HB   ASP  46          1HB       ASP  46 -11.615  -3.017   1.995
  318   2HB   ASP  46          2HB       ASP  46 -11.333  -1.323   2.430
  319    H    GLY  47           H        GLY  47 -10.940   0.769   0.302
  320   1HA   GLY  47          1HA       GLY  47 -11.731   2.772  -0.494
  321   2HA   GLY  47          2HA       GLY  47 -13.306   2.064  -0.854
  322    H    SER  48           H        SER  48 -11.660   1.805   2.307
  323    HA   SER  48           HA       SER  48 -13.766   3.573   3.539
  324   1HB   SER  48          1HB       SER  48 -13.062   2.293   5.643
  325   2HB   SER  48          2HB       SER  48 -14.043   1.427   4.447
  326    HG   SER  48           HG       SER  48 -12.387   0.253   3.849
  327    H    TYR  49           H        TYR  49 -10.516   2.401   4.385
  328    HA   TYR  49           HA       TYR  49  -9.761   4.862   5.678
  329   1HB   TYR  49          1HB       TYR  49  -8.636   2.746   6.196
  330   2HB   TYR  49          2HB       TYR  49  -8.049   2.629   4.535
  331    HD1  TYR  49           HD2      TYR  49  -7.999   5.200   7.310
  332    HD2  TYR  49           HD1      TYR  49  -5.775   3.119   4.256
  333    HE1  TYR  49           HE2      TYR  49  -5.936   6.393   7.990
  334    HE2  TYR  49           HE1      TYR  49  -3.708   4.279   4.984
  335    HH   TYR  49           HH       TYR  49  -2.739   5.757   6.521
  336    H    GLY  50           H        GLY  50  -9.325   6.827   4.685
  337   1HA   GLY  50          2HA       GLY  50  -7.556   7.158   2.544
  338   2HA   GLY  50          1HA       GLY  50  -9.202   7.108   1.872
  339    H    GLY  51           H        GLY  51  -8.215   9.411   1.387
  340   1HA   GLY  51          1HA       GLY  51  -9.745  11.379   2.605
  341   2HA   GLY  51          2HA       GLY  51  -8.133  11.429   3.371
  342    H    GLU  52           HN       GLU  52  -8.975  13.516   1.737
  343    HA   GLU  52           HA       GLU  52  -8.844  14.107  -0.667
  344   1HB   GLU  52          2HB       GLU  52  -6.723  15.717  -0.178
  345   2HB   GLU  52          1HB       GLU  52  -8.352  15.973   0.407
  346   1HG   GLU  52          2HG       GLU  52  -6.679  16.345   2.158
  347   2HG   GLU  52          1HG       GLU  52  -7.854  15.117   2.607
  348    H    ARG  53           HN       ARG  53  -5.324  13.944  -0.034
  349    HA   ARG  53           HA       ARG  53  -4.806  13.226  -2.730
  350   1HB   ARG  53          2HB       ARG  53  -2.517  13.109  -2.066
  351   2HB   ARG  53          1HB       ARG  53  -3.282  14.413  -1.155
  352   1HG   ARG  53          1HG       ARG  53  -3.548  12.553   0.746
  353   2HG   ARG  53          2HG       ARG  53  -2.326  11.685  -0.182
  354   1HD   ARG  53          2HD       ARG  53  -0.856  13.692  -0.080
  355   2HD   ARG  53          1HD       ARG  53  -2.063  14.555   0.874
  356    HE   ARG  53           HE       ARG  53  -0.179  12.524   1.738
  357   1HH1  ARG  53          1HH2      ARG  53  -3.359  13.874   2.514
  358   2HH1  ARG  53          2HH2      ARG  53  -3.148  13.724   4.239
  359   1HH2  ARG  53          2HH1      ARG  53   0.199  12.591   3.985
  360   2HH2  ARG  53          1HH1      ARG  53  -1.132  12.823   5.083
  361    H    LYS  54           HN       LYS  54  -5.254  11.307   0.165
  362    HA   LYS  54           HA       LYS  54  -4.015   8.900  -0.742
  363   1HB   LYS  54          1HB       LYS  54  -6.175   8.708   1.298
  364   2HB   LYS  54          2HB       LYS  54  -4.546   8.017   1.218
  365   1HG   LYS  54          1HG       LYS  54  -3.667  10.353   1.700
  366   2HG   LYS  54          2HG       LYS  54  -5.336  10.799   2.125
  367   1HD   LYS  54          2HD       LYS  54  -5.392   8.904   3.778
  368   2HD   LYS  54          1HD       LYS  54  -3.708   8.545   3.381
  369   1HE   LYS  54          2HE       LYS  54  -3.735   9.811   5.414
  370   2HE   LYS  54          1HE       LYS  54  -3.038  10.822   4.142
  371   1HZ   LYS  54          3HZ       LYS  54  -5.824  10.935   5.089
  372   2HZ   LYS  54          2HZ       LYS  54  -4.632  11.984   5.520
  373   3HZ   LYS  54          1HZ       LYS  54  -5.160  11.936   3.961
  374    H    ALA  55           H        ALA  55  -7.058  10.419  -1.391
  375    HA   ALA  55           HA       ALA  55  -8.682   8.293  -2.161
  376   1HB   ALA  55          2HB       ALA  55  -9.335  10.690  -2.292
  377   2HB   ALA  55          3HB       ALA  55  -8.292  10.883  -3.722
  378   3HB   ALA  55          1HB       ALA  55  -9.705   9.812  -3.790
  379    H    MET  56           H        MET  56  -5.721   9.447  -3.842
  380    HA   MET  56           HA       MET  56  -6.145   7.880  -6.242
  381   1HB   MET  56          2HB       MET  56  -3.622   8.979  -4.892
  382   2HB   MET  56          1HB       MET  56  -3.687   8.234  -6.493
  383   1HG   MET  56          1HG       MET  56  -5.244   9.997  -7.252
  384   2HG   MET  56          2HG       MET  56  -5.178  10.748  -5.649
  385   1HE   MET  56          1HE       MET  56  -4.598  13.067  -6.668
  386   2HE   MET  56          2HE       MET  56  -3.277  13.335  -7.830
  387   3HE   MET  56          3HE       MET  56  -4.687  12.357  -8.301
  388    H    MET  57           H        MET  57  -3.973   7.482  -3.487
  389    HA   MET  57           HA       MET  57  -2.977   4.970  -3.703
  390   1HB   MET  57          2HB       MET  57  -2.222   6.528  -2.059
  391   2HB   MET  57          1HB       MET  57  -3.800   6.606  -1.274
  392   1HG   MET  57          1HG       MET  57  -2.256   5.291   0.037
  393   2HG   MET  57          2HG       MET  57  -3.632   4.333  -0.517
  394   1HE   MET  57          1HE       MET  57  -3.389   2.089  -1.058
  395   2HE   MET  57          3HE       MET  57  -1.929   1.252  -1.594
  396   3HE   MET  57          2HE       MET  57  -2.030   1.867   0.070
  397    H    THR  58           H        THR  58  -6.111   5.867  -2.292
  398    HA   THR  58           HA       THR  58  -7.093   3.526  -1.249
  399    HB   THR  58           HB       THR  58  -8.644   5.471  -2.992
  400    HG1  THR  58           HG1      THR  58  -7.468   6.408  -1.180
  401   1HG2  THR  58          1HG2      THR  58  -9.899   3.374  -2.426
  402   2HG2  THR  58          3HG2      THR  58  -9.575   3.715  -0.709
  403   3HG2  THR  58          2HG2      THR  58 -10.571   4.826  -1.671
  404    H    ASN  59           H        ASN  59  -6.967   4.368  -4.761
  405    HA   ASN  59           HA       ASN  59  -7.552   1.470  -5.310
  406   1HB   ASN  59          1HB       ASN  59  -8.659   3.894  -6.753
  407   2HB   ASN  59          2HB       ASN  59  -8.640   2.263  -7.434
  408   1HD2  ASN  59          1HD2      ASN  59 -10.827   1.544  -4.219
  409   2HD2  ASN  59          2HD2      ASN  59  -9.081   1.488  -4.214
  410    H    ALA  60           H        ALA  60  -5.033   3.112  -4.935
  411    HA   ALA  60           HA       ALA  60  -3.646   2.483  -7.441
  412   1HB   ALA  60          1HB       ALA  60  -2.590   2.515  -4.569
  413   2HB   ALA  60          2HB       ALA  60  -1.615   2.417  -6.047
  414   3HB   ALA  60          3HB       ALA  60  -2.562   3.878  -5.718
  415    H    VAL  61           H        VAL  61  -4.597   0.854  -4.467
  416    HA   VAL  61           HA       VAL  61  -3.865  -1.879  -5.401
  417    HB   VAL  61           HB       VAL  61  -4.548  -2.483  -3.084
  418   1HG1  VAL  61          2HG2      VAL  61  -2.417  -0.324  -3.334
  419   2HG1  VAL  61          1HG2      VAL  61  -2.590  -1.459  -1.980
  420   3HG1  VAL  61          3HG2      VAL  61  -2.215  -2.066  -3.603
  421   1HG2  VAL  61          2HG1      VAL  61  -6.104  -0.488  -2.738
  422   2HG2  VAL  61          3HG1      VAL  61  -4.985  -0.830  -1.406
  423   3HG2  VAL  61          1HG1      VAL  61  -4.661   0.513  -2.507
  424    H    LYS  62           HN       LYS  62  -6.114  -0.172  -6.592
  425    HA   LYS  62           HA       LYS  62  -8.487  -0.557  -6.636
  426   1HB   LYS  62          2HB       LYS  62  -7.116  -0.160  -8.608
  427   2HB   LYS  62          1HB       LYS  62  -6.947  -1.897  -8.891
  428   1HG   LYS  62          1HG       LYS  62  -9.447  -2.036  -9.128
  429   2HG   LYS  62          2HG       LYS  62  -9.558  -0.285  -8.877
  430   1HD   LYS  62          2HD       LYS  62  -8.068  -1.684 -11.151
  431   2HD   LYS  62          1HD       LYS  62  -9.677  -0.953 -11.264
  432   1HE   LYS  62          2HE       LYS  62  -8.661   1.274 -10.633
  433   2HE   LYS  62          1HE       LYS  62  -7.056   0.523 -10.718
  434   1HZ   LYS  62          1HZ       LYS  62  -8.968   0.692 -12.929
  435   2HZ   LYS  62          2HZ       LYS  62  -7.615   1.612 -12.735
  436   3HZ   LYS  62          3HZ       LYS  62  -7.477  -0.009 -12.993
  437    H    LYS  63           HN       LYS  63  -9.034  -1.793  -5.046
  438    HA   LYS  63           HA       LYS  63  -9.953  -3.522  -3.904
  439   1HB   LYS  63          2HB       LYS  63 -11.056  -3.694  -6.691
  440   2HB   LYS  63          1HB       LYS  63 -11.708  -4.713  -5.391
  441   1HG   LYS  63          1HG       LYS  63 -13.110  -2.860  -5.606
  442   2HG   LYS  63          2HG       LYS  63 -12.258  -2.687  -4.072
  443   1HD   LYS  63          1HD       LYS  63 -10.862  -0.919  -4.930
  444   2HD   LYS  63          2HD       LYS  63 -11.356  -1.217  -6.605
  445   1HE   LYS  63          2HE       LYS  63 -13.173  -0.246  -4.333
  446   2HE   LYS  63          1HE       LYS  63 -12.448   0.788  -5.574
  447   1HZ   LYS  63          2HZ       LYS  63 -13.642  -0.428  -7.234
  448   2HZ   LYS  63          3HZ       LYS  63 -14.382  -1.345  -6.081
  449   3HZ   LYS  63          1HZ       LYS  63 -14.654   0.275  -6.142
  450    H    ALA  64           H        ALA  64  -7.277  -4.251  -4.649
  451    HA   ALA  64           HA       ALA  64  -6.794  -6.748  -5.736
  452   1HB   ALA  64          1HB       ALA  64  -5.697  -5.385  -3.253
  453   2HB   ALA  64          2HB       ALA  64  -4.933  -6.771  -4.046
  454   3HB   ALA  64          3HB       ALA  64  -5.098  -5.241  -4.909
  455    H    SER  65           H        SER  65  -6.912  -8.831  -5.046
  456    HA   SER  65           HA       SER  65  -9.250  -9.421  -3.350
  457   1HB   SER  65          2HB       SER  65  -8.983 -10.544  -5.516
  458   2HB   SER  65          1HB       SER  65  -7.504 -11.340  -4.942
  459    HG   SER  65           HG       SER  65  -8.687 -12.655  -3.763
  460    H    ASP  66           HN       ASP  66  -9.123 -11.245  -1.722
  461    HA   ASP  66           HA       ASP  66  -7.647 -10.430   0.429
  462   1HB   ASP  66          1HB       ASP  66  -8.318 -12.297   1.610
  463   2HB   ASP  66          2HB       ASP  66  -9.586 -12.081   0.405
  464    H    GLU  67           HN       GLU  67  -6.498 -13.083  -1.800
  465    HA   GLU  67           HA       GLU  67  -4.198 -13.714  -0.414
  466   1HB   GLU  67          1HB       GLU  67  -4.406 -13.702  -3.455
  467   2HB   GLU  67          2HB       GLU  67  -3.639 -14.802  -2.329
  468   1HG   GLU  67          2HG       GLU  67  -5.335 -16.139  -2.926
  469   2HG   GLU  67          1HG       GLU  67  -6.126 -15.348  -1.565
  470    H    GLU  68           HN       GLU  68  -4.881 -11.279  -2.875
  471    HA   GLU  68           HA       GLU  68  -2.209 -10.378  -3.376
  472   1HB   GLU  68          1HB       GLU  68  -4.805  -8.861  -3.606
  473   2HB   GLU  68          2HB       GLU  68  -3.360  -8.524  -4.472
  474   1HG   GLU  68          2HG       GLU  68  -5.115 -10.960  -4.936
  475   2HG   GLU  68          1HG       GLU  68  -5.135  -9.443  -5.858
  476    H    LEU  69           H        LEU  69  -4.931  -9.278  -1.292
  477    HA   LEU  69           HA       LEU  69  -3.676  -6.972  -0.305
  478   1HB   LEU  69          1HB       LEU  69  -5.736  -8.767   1.064
  479   2HB   LEU  69          2HB       LEU  69  -5.321  -7.156   1.622
  480    HG   LEU  69           HG       LEU  69  -6.620  -7.789  -1.049
  481   1HD1  LEU  69          3HD2      LEU  69  -8.101  -8.282   0.901
  482   2HD1  LEU  69          1HD2      LEU  69  -7.816  -6.641   1.501
  483   3HD1  LEU  69          2HD2      LEU  69  -8.673  -6.891  -0.032
  484   1HD2  LEU  69          1HD1      LEU  69  -5.386  -5.630  -1.065
  485   2HD2  LEU  69          3HD1      LEU  69  -7.124  -5.420  -1.220
  486   3HD2  LEU  69          2HD1      LEU  69  -6.354  -5.087   0.327
  487    H    LYS  70           HN       LYS  70  -3.944 -10.203   1.202
  488    HA   LYS  70           HA       LYS  70  -2.375  -9.674   3.516
  489   1HB   LYS  70          1HB       LYS  70  -2.845 -12.224   1.913
  490   2HB   LYS  70          2HB       LYS  70  -2.095 -12.190   3.516
  491   1HG   LYS  70          2HG       LYS  70  -4.100 -11.440   4.574
  492   2HG   LYS  70          1HG       LYS  70  -4.860 -11.004   3.036
  493   1HD   LYS  70          1HD       LYS  70  -4.894 -13.360   2.328
  494   2HD   LYS  70          2HD       LYS  70  -4.172 -13.850   3.875
  495   1HE   LYS  70          1HE       LYS  70  -6.129 -13.018   5.095
  496   2HE   LYS  70          2HE       LYS  70  -6.810 -12.323   3.614
  497   1HZ   LYS  70          1HZ       LYS  70  -6.357 -15.186   4.069
  498   2HZ   LYS  70          3HZ       LYS  70  -7.808 -14.413   4.170
  499   3HZ   LYS  70          2HZ       LYS  70  -7.029 -14.508   2.722
  500    H    ALA  71           H        ALA  71  -1.490 -11.061   0.331
  501    HA   ALA  71           HA       ALA  71   1.256 -11.270   0.956
  502   1HB   ALA  71          2HB       ALA  71  -0.192 -11.046  -1.705
  503   2HB   ALA  71          3HB       ALA  71   1.515 -11.529  -1.538
  504   3HB   ALA  71          1HB       ALA  71   0.225 -12.551  -0.861
  505    H    LEU  72           H        LEU  72  -0.574  -8.351  -0.270
  506    HA   LEU  72           HA       LEU  72   1.846  -7.075  -1.034
  507   1HB   LEU  72          1HB       LEU  72  -0.995  -6.433  -0.834
  508   2HB   LEU  72          2HB       LEU  72  -0.068  -5.152  -0.117
  509    HG   LEU  72           HG       LEU  72   0.388  -6.310  -2.898
  510   1HD1  LEU  72          1HD2      LEU  72  -1.744  -5.151  -2.731
  511   2HD1  LEU  72          2HD2      LEU  72  -0.933  -3.723  -2.053
  512   3HD1  LEU  72          3HD2      LEU  72  -0.608  -4.213  -3.717
  513   1HD2  LEU  72          3HD1      LEU  72   1.645  -3.895  -1.557
  514   2HD2  LEU  72          2HD1      LEU  72   2.502  -5.337  -2.122
  515   3HD2  LEU  72          1HD1      LEU  72   1.757  -4.256  -3.293
  516    H    ALA  73           H        ALA  73  -0.082  -7.133   2.009
  517    HA   ALA  73           HA       ALA  73   1.629  -5.473   3.521
  518   1HB   ALA  73          1HB       ALA  73  -0.585  -6.276   4.243
  519   2HB   ALA  73          2HB       ALA  73   0.073  -7.897   4.527
  520   3HB   ALA  73          3HB       ALA  73   0.666  -6.524   5.482
  521    H    ASP  74           HN       ASP  74   1.681  -9.079   3.364
  522    HA   ASP  74           HA       ASP  74   3.997  -9.558   4.798
  523   1HB   ASP  74          2HB       ASP  74   3.127 -10.989   2.249
  524   2HB   ASP  74          1HB       ASP  74   4.263 -11.613   3.444
  525    H    TYR  75           H        TYR  75   3.847  -8.886   1.249
  526    HA   TYR  75           HA       TYR  75   6.630  -9.011   0.778
  527   1HB   TYR  75          2HB       TYR  75   4.899  -9.063  -0.974
  528   2HB   TYR  75          1HB       TYR  75   4.476  -7.387  -0.640
  529    HD1  TYR  75           HD2      TYR  75   6.041  -5.536  -1.238
  530    HD2  TYR  75           HD1      TYR  75   6.948  -9.647  -2.176
  531    HE1  TYR  75           HE2      TYR  75   7.955  -4.807  -2.611
  532    HE2  TYR  75           HE1      TYR  75   8.768  -8.893  -3.687
  533    HH   TYR  75           HH       TYR  75   9.674  -5.454  -3.999
  534    H    MET  76           H        MET  76   4.544  -6.176   1.514
  535    HA   MET  76           HA       MET  76   6.649  -4.243   1.459
  536   1HB   MET  76          1HB       MET  76   3.853  -4.295   2.650
  537   2HB   MET  76          2HB       MET  76   4.931  -2.904   2.790
  538   1HG   MET  76          1HG       MET  76   5.175  -2.864   0.303
  539   2HG   MET  76          2HG       MET  76   4.043  -4.200   0.165
  540   1HE   MET  76          1HE       MET  76   1.577  -4.039   0.818
  541   2HE   MET  76          3HE       MET  76   1.696  -3.187   2.368
  542   3HE   MET  76          2HE       MET  76   0.643  -2.562   1.073
  543    H    SER  77           H        SER  77   5.734  -6.549   3.940
  544    HA   SER  77           HA       SER  77   7.366  -5.291   5.986
  545   1HB   SER  77          2HB       SER  77   5.994  -8.002   5.825
  546   2HB   SER  77          1HB       SER  77   6.638  -7.188   7.243
  547    HG   SER  77           HG       SER  77   4.520  -6.279   5.586
  548    H    LYS  78           HN       LYS  78   8.359  -6.668   3.170
  549    HA   LYS  78           HA       LYS  78  10.868  -7.691   4.330
  550   1HB   LYS  78          2HB       LYS  78   9.169  -9.083   2.196
  551   2HB   LYS  78          1HB       LYS  78  10.799  -9.549   2.705
  552   1HG   LYS  78          2HG       LYS  78   9.920 -10.007   5.007
  553   2HG   LYS  78          1HG       LYS  78   8.299  -9.572   4.438
  554   1HD   LYS  78          2HD       LYS  78   8.458 -11.387   2.696
  555   2HD   LYS  78          1HD       LYS  78  10.011 -11.870   3.399
  556   1HE   LYS  78          2HE       LYS  78   8.241 -13.314   4.256
  557   2HE   LYS  78          1HE       LYS  78   8.864 -12.316   5.580
  558   1HZ   LYS  78          3HZ       LYS  78   6.426 -11.764   4.031
  559   2HZ   LYS  78          1HZ       LYS  78   6.467 -12.434   5.538
  560   3HZ   LYS  78          2HZ       LYS  78   6.975 -10.884   5.308
  561    H    LEU  79           H        LEU  79  10.431  -5.106   3.552
  562    HA   LEU  79           HA       LEU  79  11.597  -4.722   0.928
  563   1HB   LEU  79          2HB       LEU  79   9.111  -4.880   0.628
  564   2HB   LEU  79          1HB       LEU  79   8.910  -3.797   2.019
  565    HG   LEU  79           HG       LEU  79  10.102  -2.046   0.822
  566   1HD1  LEU  79          1HD1      LEU  79   9.896  -4.041  -1.481
  567   2HD1  LEU  79          2HD1      LEU  79  10.188  -2.305  -1.728
  568   3HD1  LEU  79          3HD1      LEU  79  11.370  -3.292  -0.839
  569   1HD2  LEU  79          1HD2      LEU  79   7.640  -2.149   0.909
  570   2HD2  LEU  79          3HD2      LEU  79   8.201  -1.429  -0.604
  571   3HD2  LEU  79          2HD2      LEU  79   7.620  -3.112  -0.588
  572    HHA  HEC   1           HHA      HEM   1   1.113   5.114   3.089
  573    HHB  HEC   1           HHB      HEM   1   0.682  -0.335  -0.092
  574    HHC  HEC   1           HHC      HEM   1   1.095   2.928  -5.571
  575    HHD  HEC   1           HHD      HEM   1   0.523   8.389  -2.300
  576   1HMA  HEC   1          1HMA      HEM   1   1.462  -0.579   2.584
  577   2HMA  HEC   1          2HMA      HEM   1  -0.222  -0.593   2.015
  578   3HMA  HEC   1          3HMA      HEM   1   0.140  -0.014   3.645
  579   1HAA  HEC   1          1HAA      HEM   1   1.774   3.467   4.341
  580   2HAA  HEC   1          2HAA      HEM   1   1.531   1.764   4.636
  581   1HBA  HEC   1          1HBA      HEM   1  -0.535   2.019   5.504
  582   2HBA  HEC   1          2HBA      HEM   1  -1.037   3.155   4.254
  583   1HMB  HEC   1          1HMB      HEM   1   0.670  -2.014  -3.401
  584   2HMB  HEC   1          2HMB      HEM   1   1.725  -1.670  -2.032
  585   3HMB  HEC   1          3HMB      HEM   1  -0.043  -1.684  -1.813
  586    HAB  HEC   1           HAB      HEM   1   1.138   0.891  -6.087
  587   1HBB  HEC   1          1HBB      HEM   1  -1.095  -0.089  -5.923
  588   2HBB  HEC   1          2HBB      HEM   1   0.036  -1.135  -6.803
  589   3HBB  HEC   1          3HBB      HEM   1  -0.435  -1.536  -5.152
  590   1HMC  HEC   1          1HMC      HEM   1   1.226   6.354  -7.165
  591   2HMC  HEC   1          2HMC      HEM   1   2.178   4.890  -6.857
  592   3HMC  HEC   1          3HMC      HEM   1   0.409   4.796  -7.014
  593    HAC  HEC   1           HAC      HEM   1   1.985   8.671  -4.025
  594   1HBC  HEC   1          1HBC      HEM   1   0.994   9.894  -5.886
  595   2HBC  HEC   1          2HBC      HEM   1  -0.262   9.054  -4.945
  596   3HBC  HEC   1          3HBC      HEM   1   0.268   8.401  -6.509
  597   1HMD  HEC   1          1HMD      HEM   1  -0.678   9.827   1.062
  598   2HMD  HEC   1          2HMD      HEM   1   0.606   9.912  -0.157
  599   3HMD  HEC   1          3HMD      HEM   1  -1.049   9.456  -0.631
  600   1HAD  HEC   1          1HAD      HEM   1  -1.291   7.959   2.953
  601   2HAD  HEC   1          2HAD      HEM   1   0.235   8.800   2.990
  602   1HBD  HEC   1          1HBD      HEM   1  -0.291   6.085   4.298
  603   2HBD  HEC   1          2HBD      HEM   1   1.266   6.903   4.289
   
  No H/Q in entry =         603
  Start of MODEL   35
    1   1H    ALA   1          1H        ALA   1   0.602 -11.075  -9.773
    2   2H    ALA   1          3H        ALA   1  -0.719 -10.208 -10.293
    3   3H    ALA   1          2H        ALA   1   0.413  -9.521  -9.316
    4    HA   ALA   1           HA       ALA   1  -1.418 -10.023  -7.975
    5   1HB   ALA   1          1HB       ALA   1  -2.403 -11.737  -9.481
    6   2HB   ALA   1          3HB       ALA   1  -1.109 -12.871  -9.034
    7   3HB   ALA   1          2HB       ALA   1  -2.296 -12.347  -7.828
    8    H    ASP   2           HN       ASP   2  -1.364 -11.678  -5.991
    9    HA   ASP   2           HA       ASP   2  -0.349 -12.212  -4.100
   10   1HB   ASP   2          2HB       ASP   2  -0.031 -14.201  -5.553
   11   2HB   ASP   2          1HB       ASP   2   1.581 -13.611  -5.989
   12    H    GLY   3           H        GLY   3   0.283  -9.741  -4.102
   13   1HA   GLY   3          1HA       GLY   3   1.694  -8.300  -2.963
   14   2HA   GLY   3          2HA       GLY   3   2.739  -9.661  -2.657
   15    H    ALA   4           H        ALA   4   3.889 -10.442  -4.592
   16    HA   ALA   4           HA       ALA   4   5.928  -8.494  -5.132
   17   1HB   ALA   4          2HB       ALA   4   6.433 -10.877  -4.902
   18   2HB   ALA   4          1HB       ALA   4   5.498 -11.251  -6.364
   19   3HB   ALA   4          3HB       ALA   4   6.982 -10.279  -6.480
   20    H    ALA   5           H        ALA   5   3.719 -10.157  -7.442
   21    HA   ALA   5           HA       ALA   5   4.472  -8.240  -9.559
   22   1HB   ALA   5          1HB       ALA   5   2.696 -10.701  -9.605
   23   2HB   ALA   5          3HB       ALA   5   3.099  -9.684 -11.009
   24   3HB   ALA   5          2HB       ALA   5   4.372 -10.576 -10.157
   25    H    LEU   6           H        LEU   6   3.418  -6.960  -7.507
   26    HA   LEU   6           HA       LEU   6   1.022  -5.639  -8.608
   27   1HB   LEU   6          1HB       LEU   6   1.295  -6.538  -5.756
   28   2HB   LEU   6          2HB       LEU   6   0.133  -5.366  -6.353
   29    HG   LEU   6           HG       LEU   6   0.268  -8.253  -7.326
   30   1HD1  LEU   6          3HD1      LEU   6  -0.056  -8.007  -4.900
   31   2HD1  LEU   6          2HD1      LEU   6  -1.418  -6.924  -5.209
   32   3HD1  LEU   6          1HD1      LEU   6  -1.494  -8.646  -5.717
   33   1HD2  LEU   6          2HD2      LEU   6  -1.945  -6.126  -7.457
   34   2HD2  LEU   6          1HD2      LEU   6  -1.053  -6.773  -8.857
   35   3HD2  LEU   6          3HD2      LEU   6  -2.143  -7.813  -7.928
   36    H    TYR   7           H        TYR   7   3.264  -5.833  -5.797
   37    HA   TYR   7           HA       TYR   7   3.544  -3.251  -5.096
   38   1HB   TYR   7          1HB       TYR   7   4.517  -5.130  -3.876
   39   2HB   TYR   7          2HB       TYR   7   5.754  -5.320  -5.120
   40    HD1  TYR   7           HD1      TYR   7   4.277  -2.617  -2.923
   41    HD2  TYR   7           HD2      TYR   7   7.840  -4.237  -4.739
   42    HE1  TYR   7           HE1      TYR   7   5.597  -0.703  -2.075
   43    HE2  TYR   7           HE2      TYR   7   9.182  -2.448  -3.682
   44    HH   TYR   7           HH       TYR   7   9.095  -0.372  -2.572
   45    H    LYS   8           HN       LYS   8   5.332  -4.814  -7.732
   46    HA   LYS   8           HA       LYS   8   7.197  -2.961  -8.446
   47   1HB   LYS   8          1HB       LYS   8   6.971  -3.745 -10.737
   48   2HB   LYS   8          2HB       LYS   8   6.902  -5.078  -9.577
   49   1HG   LYS   8          1HG       LYS   8   4.405  -5.137  -9.809
   50   2HG   LYS   8          2HG       LYS   8   4.504  -3.821 -10.999
   51   1HD   LYS   8          1HD       LYS   8   5.984  -5.236 -12.418
   52   2HD   LYS   8          2HD       LYS   8   5.790  -6.571 -11.264
   53   1HE   LYS   8          2HE       LYS   8   3.325  -6.543 -11.666
   54   2HE   LYS   8          1HE       LYS   8   3.528  -5.195 -12.801
   55   1HZ   LYS   8          2HZ       LYS   8   4.868  -6.618 -14.165
   56   2HZ   LYS   8          1HZ       LYS   8   4.685  -7.875 -13.113
   57   3HZ   LYS   8          3HZ       LYS   8   3.379  -7.281 -13.922
   58    H    SER   9           H        SER   9   3.697  -2.608  -8.941
   59    HA   SER   9           HA       SER   9   3.876  -0.260 -10.612
   60   1HB   SER   9          1HB       SER   9   1.467  -0.937  -8.909
   61   2HB   SER   9          2HB       SER   9   1.549  -0.320 -10.566
   62    HG   SER   9           HG       SER   9   1.930  -2.938  -9.566
   63    H    CYS  10           H        CYS  10   3.481  -0.934  -7.160
   64    HA   CYS  10           HA       CYS  10   2.641   1.663  -6.290
   65   1HB   CYS  10          2HB       CYS  10   4.022  -0.431  -4.622
   66   2HB   CYS  10          1HB       CYS  10   2.881   0.757  -4.077
   67    H    ILE  11           H        ILE  11   5.712  -0.029  -6.671
   68    HA   ILE  11           HA       ILE  11   7.495   1.625  -5.405
   69    HB   ILE  11           HB       ILE  11   7.716   0.268  -8.092
   70   1HG1  ILE  11          1HG1      ILE  11   8.806  -0.374  -5.305
   71   2HG1  ILE  11          2HG1      ILE  11   7.460  -1.190  -6.107
   72   1HG2  ILE  11          3HG2      ILE  11   9.999   1.560  -6.558
   73   2HG2  ILE  11          1HG2      ILE  11  10.174   0.531  -7.991
   74   3HG2  ILE  11          2HG2      ILE  11   9.382   2.078  -8.142
   75   1HD1  ILE  11          1HD1      ILE  11   9.147  -1.847  -7.944
   76   2HD1  ILE  11          3HD1      ILE  11  10.406  -1.348  -6.790
   77   3HD1  ILE  11          2HD1      ILE  11   9.290  -2.650  -6.367
   78    H    GLY  12           H        GLY  12   5.666   2.362  -8.385
   79   1HA   GLY  12          2HA       GLY  12   7.019   4.508  -9.470
   80   2HA   GLY  12          1HA       GLY  12   5.256   4.355  -9.388
   81    H    CYS  13           H        CYS  13   5.054   4.477  -6.447
   82    HA   CYS  13           HA       CYS  13   5.618   7.397  -6.022
   83   1HB   CYS  13          1HB       CYS  13   3.422   5.499  -5.272
   84   2HB   CYS  13          2HB       CYS  13   3.815   6.824  -4.202
   85    H    HIS  14           HN       HIS  14   5.698   4.105  -4.588
   86    HA   HIS  14           HA       HIS  14   6.671   5.062  -2.046
   87   1HB   HIS  14          1HB       HIS  14   5.985   2.398  -3.356
   88   2HB   HIS  14          2HB       HIS  14   6.735   2.464  -1.791
   89    HD1  HIS  14           HD1      HIS  14   5.526   4.164   0.014
   90    HD2  HIS  14           HD2      HIS  14   3.212   2.865  -3.217
   91    HE1  HIS  14           HE1      HIS  14   3.164   4.809   0.496
   92    H    GLY  15           H        GLY  15   8.258   3.653  -4.875
   93   1HA   GLY  15          1HA       GLY  15  10.543   3.670  -5.313
   94   2HA   GLY  15          2HA       GLY  15  10.900   4.208  -3.665
   95    H    ALA  16           H        ALA  16  12.493   2.272  -4.620
   96    HA   ALA  16           HA       ALA  16  11.763  -0.378  -4.660
   97   1HB   ALA  16          2HB       ALA  16  14.342   0.821  -3.558
   98   2HB   ALA  16          1HB       ALA  16  14.103  -0.881  -4.010
   99   3HB   ALA  16          3HB       ALA  16  13.995   0.388  -5.244
  100    H    ASP  17           HN       ASP  17  13.272   1.013  -1.688
  101    HA   ASP  17           HA       ASP  17  12.017  -1.087  -0.060
  102   1HB   ASP  17          2HB       ASP  17  13.520  -0.390   1.644
  103   2HB   ASP  17          1HB       ASP  17  14.364  -0.485   0.088
  104    H    GLY  18           H        GLY  18  10.267   0.716  -1.214
  105   1HA   GLY  18          2HA       GLY  18   8.587   2.199  -0.882
  106   2HA   GLY  18          1HA       GLY  18   8.346   1.266   0.596
  107    H    SER  19           H        SER  19  11.029   3.525  -0.153
  108    HA   SER  19           HA       SER  19  10.267   5.096   2.279
  109   1HB   SER  19          2HB       SER  19  13.002   4.559   1.084
  110   2HB   SER  19          1HB       SER  19  12.661   5.540   2.518
  111    HG   SER  19           HG       SER  19  11.899   2.807   2.263
  112    H    LYS  20           HN       LYS  20  10.212   5.652  -1.118
  113    HA   LYS  20           HA       LYS  20  11.481   8.312  -0.809
  114   1HB   LYS  20          1HB       LYS  20  11.436   8.618  -3.035
  115   2HB   LYS  20          2HB       LYS  20  11.718   6.880  -2.891
  116   1HG   LYS  20          2HG       LYS  20   9.258   6.542  -3.344
  117   2HG   LYS  20          1HG       LYS  20   9.085   8.277  -3.578
  118   1HD   LYS  20          2HD       LYS  20  10.744   8.233  -5.411
  119   2HD   LYS  20          1HD       LYS  20  10.948   6.479  -5.200
  120   1HE   LYS  20          1HE       LYS  20   8.573   6.118  -5.749
  121   2HE   LYS  20          2HE       LYS  20   8.316   7.867  -5.902
  122   1HZ   LYS  20          2HZ       LYS  20   9.872   7.850  -7.721
  123   2HZ   LYS  20          3HZ       LYS  20  10.064   6.214  -7.582
  124   3HZ   LYS  20          1HZ       LYS  20   8.593   6.843  -7.991
  125    H    ALA  21           H        ALA  21  10.303  10.293  -1.331
  126    HA   ALA  21           HA       ALA  21   7.871  10.477   0.194
  127   1HB   ALA  21          3HB       ALA  21   9.477  12.329   0.063
  128   2HB   ALA  21          1HB       ALA  21   9.187  12.480  -1.687
  129   3HB   ALA  21          2HB       ALA  21   7.881  12.829  -0.534
  130    H    ALA  22           H        ALA  22   5.864  10.035  -0.487
  131    HA   ALA  22           HA       ALA  22   5.257   9.672  -3.375
  132   1HB   ALA  22          1HB       ALA  22   4.667   7.898  -1.766
  133   2HB   ALA  22          3HB       ALA  22   3.624   9.032  -0.887
  134   3HB   ALA  22          2HB       ALA  22   3.246   8.577  -2.566
  135    H    MET  23           H        MET  23   2.375  10.428  -2.150
  136    HA   MET  23           HA       MET  23   2.363  13.146  -3.200
  137   1HB   MET  23          2HB       MET  23   0.225  11.586  -1.708
  138   2HB   MET  23          1HB       MET  23  -0.001  13.129  -2.543
  139   1HG   MET  23          1HG       MET  23   0.801  10.506  -3.860
  140   2HG   MET  23          2HG       MET  23  -0.795  11.235  -3.861
  141   1HE   MET  23          3HE       MET  23   2.372  10.699  -5.675
  142   2HE   MET  23          1HE       MET  23   2.520  12.046  -6.819
  143   3HE   MET  23          2HE       MET  23   3.022  12.263  -5.137
  144    H    GLY  24           H        GLY  24   4.179  13.755  -1.743
  145   1HA   GLY  24          2HA       GLY  24   4.696  15.482  -0.241
  146   2HA   GLY  24          1HA       GLY  24   3.083  15.367   0.484
  147    H    SER  25           H        SER  25   4.045  15.317   2.597
  148    HA   SER  25           HA       SER  25   5.983  13.495   3.492
  149   1HB   SER  25          2HB       SER  25   3.804  14.844   5.107
  150   2HB   SER  25          1HB       SER  25   5.446  14.438   5.641
  151    HG   SER  25           HG       SER  25   6.200  15.986   4.091
  152    H    ALA  26           H        ALA  26   4.809  11.624   2.306
  153    HA   ALA  26           HA       ALA  26   2.645  10.269   3.743
  154   1HB   ALA  26          2HB       ALA  26   4.500   9.362   1.509
  155   2HB   ALA  26          3HB       ALA  26   3.072   8.484   2.088
  156   3HB   ALA  26          1HB       ALA  26   2.882  10.075   1.314
  157    H    LYS  27           HN       LYS  27   2.887   8.648   5.301
  158    HA   LYS  27           HA       LYS  27   5.347   8.258   6.648
  159   1HB   LYS  27          1HB       LYS  27   2.977   6.320   6.431
  160   2HB   LYS  27          2HB       LYS  27   4.348   6.170   7.525
  161   1HG   LYS  27          1HG       LYS  27   3.772   8.163   8.738
  162   2HG   LYS  27          2HG       LYS  27   2.546   8.617   7.558
  163   1HD   LYS  27          1HD       LYS  27   1.520   7.636   9.576
  164   2HD   LYS  27          2HD       LYS  27   1.146   6.720   8.116
  165   1HE   LYS  27          1HE       LYS  27   1.636   5.251  10.037
  166   2HE   LYS  27          2HE       LYS  27   2.747   4.977   8.697
  167   1HZ   LYS  27          3HZ       LYS  27   3.324   6.586  11.088
  168   2HZ   LYS  27          1HZ       LYS  27   3.877   5.062  10.787
  169   3HZ   LYS  27          2HZ       LYS  27   4.364   6.314   9.837
  170    HA   PRO  28           HA       PRO  28   7.086   5.781   3.295
  171   1HB   PRO  28          2HB       PRO  28   9.405   4.847   4.493
  172   2HB   PRO  28          1HB       PRO  28   9.232   6.539   3.930
  173   1HG   PRO  28          2HG       PRO  28   8.813   5.475   6.735
  174   2HG   PRO  28          1HG       PRO  28   9.776   6.898   6.238
  175   1HD   PRO  28          2HD       PRO  28   7.224   7.124   7.153
  176   2HD   PRO  28          1HD       PRO  28   7.802   8.177   5.822
  177    H    VAL  29           H        VAL  29   7.052   3.563   2.829
  178    HA   VAL  29           HA       VAL  29   5.456   1.987   4.800
  179    HB   VAL  29           HB       VAL  29   5.708   1.664   1.821
  180   1HG1  VAL  29          1HG2      VAL  29   3.443   0.987   3.795
  181   2HG1  VAL  29          3HG2      VAL  29   3.384   0.696   2.050
  182   3HG1  VAL  29          2HG2      VAL  29   4.508  -0.222   3.052
  183   1HG2  VAL  29          1HG1      VAL  29   3.879   3.468   3.475
  184   2HG2  VAL  29          2HG1      VAL  29   4.893   3.942   2.102
  185   3HG2  VAL  29          3HG1      VAL  29   3.451   2.939   1.841
  186    H    LYS  30           HN       LYS  30   8.397   2.180   4.801
  187    HA   LYS  30           HA       LYS  30   9.473  -0.214   3.717
  188   1HB   LYS  30          1HB       LYS  30  11.401   0.696   4.623
  189   2HB   LYS  30          2HB       LYS  30  10.412   1.997   3.946
  190   1HG   LYS  30          2HG       LYS  30   9.672   2.509   6.356
  191   2HG   LYS  30          1HG       LYS  30  10.947   1.430   6.912
  192   1HD   LYS  30          1HD       LYS  30  11.487   3.835   5.121
  193   2HD   LYS  30          2HD       LYS  30  11.452   3.903   6.881
  194   1HE   LYS  30          2HE       LYS  30  13.727   3.735   6.232
  195   2HE   LYS  30          1HE       LYS  30  13.287   2.195   6.987
  196   1HZ   LYS  30          1HZ       LYS  30  13.339   2.666   4.084
  197   2HZ   LYS  30          3HZ       LYS  30  14.609   2.050   4.936
  198   3HZ   LYS  30          2HZ       LYS  30  13.200   1.216   4.853
  199    H    GLY  31           H        GLY  31   7.445  -1.277   4.830
  200   1HA   GLY  31          2HA       GLY  31   6.695  -2.881   6.242
  201   2HA   GLY  31          1HA       GLY  31   8.295  -2.933   6.990
  202    H    GLN  32           H        GLN  32   5.204  -1.014   6.949
  203    HA   GLN  32           HA       GLN  32   5.635   0.208   9.508
  204   1HB   GLN  32          1HB       GLN  32   2.863  -0.625   8.641
  205   2HB   GLN  32          2HB       GLN  32   3.357   0.757   9.597
  206   1HG   GLN  32          1HG       GLN  32   3.676   0.431   6.585
  207   2HG   GLN  32          2HG       GLN  32   2.462   1.375   7.437
  208   1HE2  GLN  32          2HE2      GLN  32   4.805   3.970   6.550
  209   2HE2  GLN  32          1HE2      GLN  32   3.105   3.519   6.373
  210    H    GLY  33           H        GLY  33   3.792  -2.492   8.607
  211   1HA   GLY  33          2HA       GLY  33   5.026  -4.597   9.995
  212   2HA   GLY  33          1HA       GLY  33   3.788  -3.976  11.103
  213    H    ALA  34           H        ALA  34   4.092  -6.493   9.092
  214    HA   ALA  34           HA       ALA  34   2.311  -6.453   7.058
  215   1HB   ALA  34          1HB       ALA  34   3.631  -8.450   7.669
  216   2HB   ALA  34          3HB       ALA  34   2.555  -8.744   9.050
  217   3HB   ALA  34          2HB       ALA  34   1.932  -8.850   7.390
  218    H    GLU  35           HN       GLU  35   1.275  -6.934  10.467
  219    HA   GLU  35           HA       GLU  35  -1.484  -7.366   9.921
  220   1HB   GLU  35          2HB       GLU  35   0.004  -6.207  12.337
  221   2HB   GLU  35          1HB       GLU  35  -1.721  -6.515  12.293
  222   1HG   GLU  35          1HG       GLU  35  -0.637  -8.385  13.372
  223   2HG   GLU  35          2HG       GLU  35  -1.289  -8.930  11.822
  224    H    GLU  36           HN       GLU  36   0.323  -4.452  10.792
  225    HA   GLU  36           HA       GLU  36  -1.735  -2.509  10.822
  226   1HB   GLU  36          1HB       GLU  36   1.253  -2.344  10.104
  227   2HB   GLU  36          2HB       GLU  36   0.219  -0.958  10.202
  228   1HG   GLU  36          1HG       GLU  36   1.548  -1.270  12.190
  229   2HG   GLU  36          2HG       GLU  36  -0.198  -1.356  12.541
  230    H    LEU  37           H        LEU  37   0.590  -3.392   8.276
  231    HA   LEU  37           HA       LEU  37  -0.252  -1.831   6.181
  232   1HB   LEU  37          2HB       LEU  37   1.183  -4.470   6.611
  233   2HB   LEU  37          1HB       LEU  37   0.853  -3.924   5.024
  234    HG   LEU  37           HG       LEU  37   2.350  -2.223   7.041
  235   1HD1  LEU  37          3HD2      LEU  37   3.441  -4.055   4.865
  236   2HD1  LEU  37          2HD2      LEU  37   4.406  -2.917   5.823
  237   3HD1  LEU  37          1HD2      LEU  37   3.612  -4.281   6.617
  238   1HD2  LEU  37          2HD1      LEU  37   2.039  -2.046   4.015
  239   2HD2  LEU  37          3HD1      LEU  37   1.480  -0.852   5.213
  240   3HD2  LEU  37          1HD1      LEU  37   3.207  -1.103   4.948
  241    H    TYR  38           HN       TYR  38  -1.057  -5.360   6.629
  242    HA   TYR  38           HA       TYR  38  -2.838  -5.741   4.626
  243   1HB   TYR  38          1HB       TYR  38  -2.216  -7.398   6.343
  244   2HB   TYR  38          2HB       TYR  38  -3.154  -6.607   7.536
  245    HD1  TYR  38           HE2      TYR  38  -3.996  -7.547   3.955
  246    HD2  TYR  38           HD1      TYR  38  -5.011  -7.885   8.138
  247    HE1  TYR  38           HE1      TYR  38  -6.210  -8.472   3.354
  248    HE2  TYR  38           HD2      TYR  38  -7.166  -8.920   7.526
  249    HH   TYR  38           HH       TYR  38  -8.566  -9.564   5.798
  250    H    LYS  39           HN       LYS  39  -3.728  -4.732   7.825
  251    HA   LYS  39           HA       LYS  39  -6.429  -4.118   7.358
  252   1HB   LYS  39          2HB       LYS  39  -5.066  -4.118   9.597
  253   2HB   LYS  39          1HB       LYS  39  -4.671  -2.454   9.234
  254   1HG   LYS  39          2HG       LYS  39  -6.511  -2.413  10.729
  255   2HG   LYS  39          1HG       LYS  39  -7.113  -1.893   9.148
  256   1HD   LYS  39          2HD       LYS  39  -8.118  -4.143   8.783
  257   2HD   LYS  39          1HD       LYS  39  -7.363  -4.730  10.274
  258   1HE   LYS  39          2HE       LYS  39  -9.722  -4.246  10.657
  259   2HE   LYS  39          1HE       LYS  39  -8.726  -3.122  11.595
  260   1HZ   LYS  39          1HZ       LYS  39 -10.000  -2.535   9.009
  261   2HZ   LYS  39          2HZ       LYS  39 -10.540  -2.035  10.483
  262   3HZ   LYS  39          3HZ       LYS  39  -9.104  -1.478   9.902
  263    H    LYS  40           HN       LYS  40  -3.663  -1.892   7.146
  264    HA   LYS  40           HA       LYS  40  -5.127   0.390   6.297
  265   1HB   LYS  40          2HB       LYS  40  -2.220  -0.412   6.009
  266   2HB   LYS  40          1HB       LYS  40  -2.854   1.138   5.466
  267   1HG   LYS  40          1HG       LYS  40  -3.483   1.812   7.646
  268   2HG   LYS  40          2HG       LYS  40  -3.389   0.171   8.293
  269   1HD   LYS  40          2HD       LYS  40  -0.960   0.144   8.104
  270   2HD   LYS  40          1HD       LYS  40  -0.966   1.677   7.250
  271   1HE   LYS  40          2HE       LYS  40  -0.319   2.007   9.593
  272   2HE   LYS  40          1HE       LYS  40  -1.836   2.846   9.238
  273   1HZ   LYS  40          3HZ       LYS  40  -1.619   0.219  10.545
  274   2HZ   LYS  40          2HZ       LYS  40  -1.910   1.651  11.310
  275   3HZ   LYS  40          1HZ       LYS  40  -3.014   1.042  10.251
  276    H    MET  41           H        MET  41  -3.276  -1.940   4.148
  277    HA   MET  41           HA       MET  41  -4.197  -0.707   1.763
  278   1HB   MET  41          1HB       MET  41  -3.863  -3.087   0.742
  279   2HB   MET  41          2HB       MET  41  -2.561  -2.002   1.124
  280   1HG   MET  41          2HG       MET  41  -3.214  -3.933   3.277
  281   2HG   MET  41          1HG       MET  41  -2.537  -4.670   1.836
  282   1HE   MET  41          2HE       MET  41  -0.872  -3.699   0.471
  283   2HE   MET  41          1HE       MET  41  -0.131  -2.149   0.916
  284   3HE   MET  41          3HE       MET  41   0.754  -3.672   1.214
  285    H    LYS  42           HN       LYS  42  -5.796  -3.271   3.754
  286    HA   LYS  42           HA       LYS  42  -7.929  -3.660   1.888
  287   1HB   LYS  42          2HB       LYS  42  -7.406  -5.168   3.790
  288   2HB   LYS  42          1HB       LYS  42  -7.942  -3.923   4.929
  289   1HG   LYS  42          1HG       LYS  42 -10.199  -3.967   3.935
  290   2HG   LYS  42          2HG       LYS  42  -9.674  -5.171   2.743
  291   1HD   LYS  42          1HD       LYS  42  -9.154  -6.762   4.576
  292   2HD   LYS  42          2HD       LYS  42  -9.686  -5.570   5.775
  293   1HE   LYS  42          1HE       LYS  42 -11.424  -6.797   3.574
  294   2HE   LYS  42          2HE       LYS  42 -11.443  -7.261   5.282
  295   1HZ   LYS  42          1HZ       LYS  42 -12.142  -5.035   5.817
  296   2HZ   LYS  42          3HZ       LYS  42 -12.155  -4.611   4.226
  297   3HZ   LYS  42          2HZ       LYS  42 -13.200  -5.755   4.780
  298    H    GLY  43           H        GLY  43  -7.603  -1.570   4.755
  299   1HA   GLY  43          2HA       GLY  43  -9.987  -0.163   4.800
  300   2HA   GLY  43          1HA       GLY  43  -8.414   0.443   5.314
  301    H    TYR  44           H        TYR  44  -7.015   0.558   2.904
  302    HA   TYR  44           HA       TYR  44  -7.979   2.979   1.756
  303   1HB   TYR  44          2HB       TYR  44  -5.790   0.974   1.082
  304   2HB   TYR  44          1HB       TYR  44  -6.153   2.324   0.038
  305    HD1  TYR  44           HD1      TYR  44  -6.441   4.687   1.441
  306    HD2  TYR  44           HD2      TYR  44  -3.814   1.383   2.335
  307    HE1  TYR  44           HE1      TYR  44  -4.685   6.247   2.197
  308    HE2  TYR  44           HE2      TYR  44  -2.090   2.956   3.069
  309    HH   TYR  44           HH       TYR  44  -1.404   5.203   2.896
  310    H    ALA  45           H        ALA  45  -7.628  -0.354   0.343
  311    HA   ALA  45           HA       ALA  45  -8.839   0.234  -2.111
  312   1HB   ALA  45          3HB       ALA  45  -7.609  -1.849  -1.644
  313   2HB   ALA  45          2HB       ALA  45  -8.940  -2.407  -0.606
  314   3HB   ALA  45          1HB       ALA  45  -9.203  -2.159  -2.348
  315    H    ASP  46           HN       ASP  46 -10.455  -0.891   0.913
  316    HA   ASP  46           HA       ASP  46 -13.070  -0.793  -0.377
  317   1HB   ASP  46          1HB       ASP  46 -13.994  -1.489   1.704
  318   2HB   ASP  46          2HB       ASP  46 -12.584  -2.473   1.305
  319    H    GLY  47           H        GLY  47 -11.208   1.777   0.283
  320   1HA   GLY  47          2HA       GLY  47 -11.631   3.975   0.478
  321   2HA   GLY  47          1HA       GLY  47 -13.314   3.614   0.078
  322    H    SER  48           H        SER  48 -11.670   2.393   3.001
  323    HA   SER  48           HA       SER  48 -13.496   4.104   4.671
  324   1HB   SER  48          2HB       SER  48 -11.999   1.586   5.480
  325   2HB   SER  48          1HB       SER  48 -13.190   2.502   6.423
  326    HG   SER  48           HG       SER  48 -13.605   1.115   3.981
  327    H    TYR  49           H        TYR  49 -10.139   2.843   4.515
  328    HA   TYR  49           HA       TYR  49  -9.248   4.809   6.526
  329   1HB   TYR  49          1HB       TYR  49  -8.386   2.535   6.642
  330   2HB   TYR  49          2HB       TYR  49  -7.765   2.652   4.997
  331    HD1  TYR  49           HD1      TYR  49  -7.555   4.644   8.202
  332    HD2  TYR  49           HD2      TYR  49  -5.449   2.988   4.820
  333    HE1  TYR  49           HE1      TYR  49  -5.454   5.705   8.977
  334    HE2  TYR  49           HE2      TYR  49  -3.345   4.018   5.629
  335    HH   TYR  49           HH       TYR  49  -2.328   5.260   7.348
  336    H    GLY  50           H        GLY  50 -10.137   6.539   4.948
  337   1HA   GLY  50          1HA       GLY  50  -7.882   7.878   3.900
  338   2HA   GLY  50          2HA       GLY  50  -8.775   7.152   2.539
  339    H    GLY  51           H        GLY  51  -8.931   9.602   2.065
  340   1HA   GLY  51          2HA       GLY  51 -11.433  10.612   2.125
  341   2HA   GLY  51          1HA       GLY  51 -10.813  11.162   3.694
  342    H    GLU  52           HN       GLU  52  -8.237  11.734   3.237
  343    HA   GLU  52           HA       GLU  52  -8.365  14.184   1.582
  344   1HB   GLU  52          1HB       GLU  52  -6.279  14.787   2.690
  345   2HB   GLU  52          2HB       GLU  52  -7.558  14.438   3.831
  346   1HG   GLU  52          2HG       GLU  52  -5.453  12.325   3.189
  347   2HG   GLU  52          1HG       GLU  52  -5.202  13.594   4.384
  348    H    ARG  53           HN       ARG  53  -5.195  13.645   1.394
  349    HA   ARG  53           HA       ARG  53  -5.048  12.968  -1.303
  350   1HB   ARG  53          2HB       ARG  53  -2.698  12.465  -0.918
  351   2HB   ARG  53          1HB       ARG  53  -3.178  13.913  -0.025
  352   1HG   ARG  53          2HG       ARG  53  -3.332  12.546   2.070
  353   2HG   ARG  53          1HG       ARG  53  -2.806  11.111   1.158
  354   1HD   ARG  53          1HD       ARG  53  -0.685  12.201   0.610
  355   2HD   ARG  53          2HD       ARG  53  -1.200  13.667   1.468
  356    HE   ARG  53           HE       ARG  53  -1.402  11.407   3.214
  357   1HH1  ARG  53          1HH2      ARG  53   1.074  13.341   1.590
  358   2HH1  ARG  53          2HH2      ARG  53   2.137  13.378   2.973
  359   1HH2  ARG  53          1HH1      ARG  53   0.151  11.200   4.925
  360   2HH2  ARG  53          2HH1      ARG  53   1.654  12.075   4.838
  361    H    LYS  54           HN       LYS  54  -5.359  10.897   1.469
  362    HA   LYS  54           HA       LYS  54  -4.665   8.393   0.515
  363   1HB   LYS  54          1HB       LYS  54  -6.726   9.332   2.540
  364   2HB   LYS  54          2HB       LYS  54  -6.283   7.631   2.317
  365   1HG   LYS  54          2HG       LYS  54  -3.833   8.381   2.597
  366   2HG   LYS  54          1HG       LYS  54  -4.455   9.955   3.095
  367   1HD   LYS  54          1HD       LYS  54  -5.534   8.969   5.051
  368   2HD   LYS  54          2HD       LYS  54  -5.115   7.328   4.507
  369   1HE   LYS  54          2HE       LYS  54  -2.719   7.813   4.674
  370   2HE   LYS  54          1HE       LYS  54  -3.045   9.510   5.077
  371   1HZ   LYS  54          2HZ       LYS  54  -4.074   8.765   7.094
  372   2HZ   LYS  54          1HZ       LYS  54  -3.750   7.189   6.725
  373   3HZ   LYS  54          3HZ       LYS  54  -2.515   8.236   6.978
  374    H    ALA  55           H        ALA  55  -7.475  10.308  -0.284
  375    HA   ALA  55           HA       ALA  55  -9.235   8.298  -1.259
  376   1HB   ALA  55          3HB       ALA  55  -9.863  10.675  -1.008
  377   2HB   ALA  55          1HB       ALA  55  -8.743  11.116  -2.317
  378   3HB   ALA  55          2HB       ALA  55 -10.159  10.101  -2.661
  379    H    MET  56           H        MET  56  -6.253   9.722  -2.650
  380    HA   MET  56           HA       MET  56  -6.616   8.591  -5.283
  381   1HB   MET  56          2HB       MET  56  -5.131  10.534  -4.699
  382   2HB   MET  56          1HB       MET  56  -4.035   9.414  -3.872
  383   1HG   MET  56          2HG       MET  56  -3.671   8.202  -5.993
  384   2HG   MET  56          1HG       MET  56  -4.832   9.266  -6.807
  385   1HE   MET  56          1HE       MET  56  -2.078   8.698  -8.016
  386   2HE   MET  56          2HE       MET  56  -3.166   9.909  -8.739
  387   3HE   MET  56          3HE       MET  56  -1.460  10.315  -8.431
  388    H    MET  57           H        MET  57  -4.873   7.640  -2.323
  389    HA   MET  57           HA       MET  57  -3.622   5.294  -3.141
  390   1HB   MET  57          1HB       MET  57  -4.272   6.650  -0.640
  391   2HB   MET  57          2HB       MET  57  -4.481   4.929  -0.467
  392   1HG   MET  57          2HG       MET  57  -2.014   6.385  -1.437
  393   2HG   MET  57          1HG       MET  57  -2.234   5.689   0.167
  394   1HE   MET  57          3HE       MET  57  -3.782   2.910  -0.945
  395   2HE   MET  57          2HE       MET  57  -2.509   1.789  -1.437
  396   3HE   MET  57          1HE       MET  57  -2.474   2.487   0.190
  397    H    THR  58           H        THR  58  -6.902   5.780  -1.737
  398    HA   THR  58           HA       THR  58  -7.824   3.177  -1.730
  399    HB   THR  58           HB       THR  58  -9.230   5.788  -2.380
  400    HG1  THR  58           HG1      THR  58  -9.339   4.026  -0.177
  401   1HG2  THR  58          1HG2      THR  58 -10.553   3.063  -2.111
  402   2HG2  THR  58          3HG2      THR  58 -11.384   4.623  -1.937
  403   3HG2  THR  58          2HG2      THR  58 -10.646   4.184  -3.478
  404    H    ASN  59           H        ASN  59  -7.287   5.182  -4.650
  405    HA   ASN  59           HA       ASN  59  -7.861   2.721  -6.187
  406   1HB   ASN  59          1HB       ASN  59  -9.038   5.393  -6.630
  407   2HB   ASN  59          2HB       ASN  59  -8.467   4.525  -8.053
  408   1HD2  ASN  59          1HD2      ASN  59 -11.125   2.009  -6.281
  409   2HD2  ASN  59          2HD2      ASN  59  -9.590   2.218  -5.494
  410    H    ALA  60           H        ALA  60  -5.500   3.755  -4.962
  411    HA   ALA  60           HA       ALA  60  -3.713   3.366  -7.315
  412   1HB   ALA  60          1HB       ALA  60  -2.960   4.872  -5.453
  413   2HB   ALA  60          3HB       ALA  60  -3.001   3.473  -4.346
  414   3HB   ALA  60          2HB       ALA  60  -1.898   3.477  -5.723
  415    H    VAL  61           H        VAL  61  -4.674   1.840  -4.204
  416    HA   VAL  61           HA       VAL  61  -3.963  -0.901  -5.178
  417    HB   VAL  61           HB       VAL  61  -3.203  -0.085  -2.967
  418   1HG1  VAL  61          1HG1      VAL  61  -6.151  -0.108  -2.183
  419   2HG1  VAL  61          2HG1      VAL  61  -4.785  -0.030  -1.060
  420   3HG1  VAL  61          3HG1      VAL  61  -5.064   1.283  -2.199
  421   1HG2  VAL  61          2HG2      VAL  61  -3.513  -2.512  -3.450
  422   2HG2  VAL  61          3HG2      VAL  61  -3.635  -2.072  -1.736
  423   3HG2  VAL  61          1HG2      VAL  61  -5.106  -2.392  -2.652
  424    H    LYS  62           HN       LYS  62  -5.732   0.355  -6.644
  425    HA   LYS  62           HA       LYS  62  -8.211   0.819  -6.416
  426   1HB   LYS  62          2HB       LYS  62  -6.842   0.620  -8.526
  427   2HB   LYS  62          1HB       LYS  62  -7.361  -1.068  -8.635
  428   1HG   LYS  62          2HG       LYS  62  -9.736  -0.312  -8.743
  429   2HG   LYS  62          1HG       LYS  62  -9.211   1.351  -8.444
  430   1HD   LYS  62          1HD       LYS  62  -7.888   1.301 -10.579
  431   2HD   LYS  62          2HD       LYS  62  -8.536  -0.317 -10.895
  432   1HE   LYS  62          1HE       LYS  62  -9.863   1.291 -12.119
  433   2HE   LYS  62          2HE       LYS  62 -10.867   0.652 -10.805
  434   1HZ   LYS  62          1HZ       LYS  62  -9.414   3.209 -10.755
  435   2HZ   LYS  62          3HZ       LYS  62 -11.021   3.033 -11.059
  436   3HZ   LYS  62          2HZ       LYS  62 -10.425   2.658  -9.576
  437    H    LYS  63           HN       LYS  63  -7.731  -2.623  -6.983
  438    HA   LYS  63           HA       LYS  63 -10.046  -2.976  -5.216
  439   1HB   LYS  63          1HB       LYS  63 -11.302  -4.261  -6.780
  440   2HB   LYS  63          2HB       LYS  63 -10.850  -2.738  -7.548
  441   1HG   LYS  63          2HG       LYS  63  -9.692  -5.492  -8.130
  442   2HG   LYS  63          1HG       LYS  63 -10.771  -4.531  -9.131
  443   1HD   LYS  63          1HD       LYS  63  -8.955  -2.762  -9.284
  444   2HD   LYS  63          2HD       LYS  63  -7.849  -3.923  -8.513
  445   1HE   LYS  63          2HE       LYS  63  -9.351  -4.376 -11.127
  446   2HE   LYS  63          1HE       LYS  63  -7.639  -3.956 -10.967
  447   1HZ   LYS  63          3HZ       LYS  63  -7.308  -5.998  -9.766
  448   2HZ   LYS  63          2HZ       LYS  63  -8.897  -6.402  -9.941
  449   3HZ   LYS  63          1HZ       LYS  63  -7.926  -6.286 -11.266
  450    H    ALA  64           H        ALA  64  -7.237  -3.426  -4.762
  451    HA   ALA  64           HA       ALA  64  -6.329  -6.031  -5.271
  452   1HB   ALA  64          3HB       ALA  64  -4.966  -4.253  -4.252
  453   2HB   ALA  64          2HB       ALA  64  -5.941  -4.385  -2.760
  454   3HB   ALA  64          1HB       ALA  64  -4.911  -5.732  -3.272
  455    H    SER  65           H        SER  65  -6.938  -8.011  -4.598
  456    HA   SER  65           HA       SER  65  -9.218  -8.261  -2.703
  457   1HB   SER  65          1HB       SER  65  -9.286 -10.602  -3.673
  458   2HB   SER  65          2HB       SER  65  -9.601  -9.276  -4.810
  459    HG   SER  65           HG       SER  65  -8.120 -10.742  -5.706
  460    H    ASP  66           HN       ASP  66  -9.101 -10.192  -1.188
  461    HA   ASP  66           HA       ASP  66  -7.322  -9.890   0.759
  462   1HB   ASP  66          1HB       ASP  66  -8.520 -12.551  -0.133
  463   2HB   ASP  66          2HB       ASP  66  -7.751 -12.272   1.435
  464    H    GLU  67           HN       GLU  67  -6.650 -12.323  -1.808
  465    HA   GLU  67           HA       GLU  67  -4.167 -13.196  -0.807
  466   1HB   GLU  67          2HB       GLU  67  -5.369 -14.231  -2.747
  467   2HB   GLU  67          1HB       GLU  67  -4.996 -12.801  -3.723
  468   1HG   GLU  67          2HG       GLU  67  -2.502 -13.315  -3.272
  469   2HG   GLU  67          1HG       GLU  67  -3.049 -14.854  -2.602
  470    H    GLU  68           HN       GLU  68  -4.910 -10.549  -3.001
  471    HA   GLU  68           HA       GLU  68  -2.225  -9.696  -3.535
  472   1HB   GLU  68          1HB       GLU  68  -4.694  -8.009  -3.573
  473   2HB   GLU  68          2HB       GLU  68  -3.332  -7.737  -4.562
  474   1HG   GLU  68          2HG       GLU  68  -5.344  -9.990  -4.872
  475   2HG   GLU  68          1HG       GLU  68  -5.197  -8.561  -5.873
  476    H    LEU  69           H        LEU  69  -4.791  -8.523  -1.193
  477    HA   LEU  69           HA       LEU  69  -3.376  -6.353  -0.158
  478   1HB   LEU  69          2HB       LEU  69  -5.546  -8.269   0.822
  479   2HB   LEU  69          1HB       LEU  69  -5.033  -6.868   1.717
  480    HG   LEU  69           HG       LEU  69  -6.180  -6.712  -1.091
  481   1HD1  LEU  69          3HD2      LEU  69  -7.508  -6.313   1.626
  482   2HD1  LEU  69          1HD2      LEU  69  -8.253  -5.926   0.062
  483   3HD1  LEU  69          2HD2      LEU  69  -7.865  -7.604   0.463
  484   1HD2  LEU  69          3HD1      LEU  69  -5.593  -4.637   1.045
  485   2HD2  LEU  69          2HD1      LEU  69  -4.857  -4.739  -0.572
  486   3HD2  LEU  69          1HD1      LEU  69  -6.564  -4.307  -0.404
  487    H    LYS  70           HN       LYS  70  -3.776  -9.707   1.093
  488    HA   LYS  70           HA       LYS  70  -2.135  -9.303   3.396
  489   1HB   LYS  70          2HB       LYS  70  -2.933 -11.823   1.871
  490   2HB   LYS  70          1HB       LYS  70  -2.120 -11.826   3.447
  491   1HG   LYS  70          2HG       LYS  70  -3.980 -10.681   4.505
  492   2HG   LYS  70          1HG       LYS  70  -4.787 -10.440   2.946
  493   1HD   LYS  70          1HD       LYS  70  -5.002 -12.885   2.653
  494   2HD   LYS  70          2HD       LYS  70  -4.255 -13.138   4.247
  495   1HE   LYS  70          2HE       LYS  70  -6.092 -11.844   5.313
  496   2HE   LYS  70          1HE       LYS  70  -6.822 -11.548   3.724
  497   1HZ   LYS  70          3HZ       LYS  70  -7.121 -13.904   3.490
  498   2HZ   LYS  70          2HZ       LYS  70  -6.455 -14.178   4.973
  499   3HZ   LYS  70          1HZ       LYS  70  -7.873 -13.348   4.845
  500    H    ALA  71           H        ALA  71  -1.437 -10.606   0.110
  501    HA   ALA  71           HA       ALA  71   1.283 -11.167   0.775
  502   1HB   ALA  71          3HB       ALA  71   0.064 -12.298  -1.028
  503   2HB   ALA  71          2HB       ALA  71  -0.045 -10.767  -1.920
  504   3HB   ALA  71          1HB       ALA  71   1.546 -11.533  -1.629
  505    H    LEU  72           H        LEU  72  -0.286  -8.123  -0.423
  506    HA   LEU  72           HA       LEU  72   2.188  -6.870  -1.175
  507   1HB   LEU  72          1HB       LEU  72  -0.674  -6.053  -0.522
  508   2HB   LEU  72          2HB       LEU  72   0.607  -4.878  -0.652
  509    HG   LEU  72           HG       LEU  72   0.075  -6.754  -2.940
  510   1HD1  LEU  72          2HD2      LEU  72  -1.238  -4.092  -2.301
  511   2HD1  LEU  72          1HD2      LEU  72  -1.262  -4.849  -3.908
  512   3HD1  LEU  72          3HD2      LEU  72  -2.031  -5.654  -2.530
  513   1HD2  LEU  72          1HD1      LEU  72   1.449  -4.035  -2.636
  514   2HD2  LEU  72          3HD1      LEU  72   2.226  -5.575  -3.035
  515   3HD2  LEU  72          2HD1      LEU  72   1.125  -4.811  -4.188
  516    H    ALA  73           H        ALA  73   0.011  -6.777   1.703
  517    HA   ALA  73           HA       ALA  73   1.609  -5.239   3.379
  518   1HB   ALA  73          3HB       ALA  73  -0.685  -6.033   3.907
  519   2HB   ALA  73          2HB       ALA  73  -0.087  -7.683   4.124
  520   3HB   ALA  73          1HB       ALA  73   0.448  -6.404   5.222
  521    H    ASP  74           HN       ASP  74   1.677  -8.819   2.985
  522    HA   ASP  74           HA       ASP  74   3.811  -9.340   4.735
  523   1HB   ASP  74          2HB       ASP  74   2.418 -11.114   3.774
  524   2HB   ASP  74          1HB       ASP  74   3.080 -10.786   2.161
  525    H    TYR  75           H        TYR  75   3.961  -8.689   1.165
  526    HA   TYR  75           HA       TYR  75   6.722  -8.921   0.865
  527   1HB   TYR  75          2HB       TYR  75   5.004  -8.710  -0.932
  528   2HB   TYR  75          1HB       TYR  75   4.858  -6.993  -0.588
  529    HD1  TYR  75           HD2      TYR  75   6.927  -5.491  -0.930
  530    HD2  TYR  75           HD1      TYR  75   6.708  -9.563  -2.344
  531    HE1  TYR  75           HE2      TYR  75   8.892  -5.103  -2.386
  532    HE2  TYR  75           HE1      TYR  75   8.588  -9.125  -3.888
  533    HH   TYR  75           HH       TYR  75  10.148  -7.585  -4.618
  534    H    MET  76           H        MET  76   4.897  -5.753   1.374
  535    HA   MET  76           HA       MET  76   7.181  -4.210   1.744
  536   1HB   MET  76          2HB       MET  76   4.232  -4.027   2.564
  537   2HB   MET  76          1HB       MET  76   5.424  -2.759   2.757
  538   1HG   MET  76          2HG       MET  76   5.945  -3.314   0.189
  539   2HG   MET  76          1HG       MET  76   4.307  -3.927   0.201
  540   1HE   MET  76          3HE       MET  76   2.509  -2.179   1.659
  541   2HE   MET  76          1HE       MET  76   2.144  -0.852   0.526
  542   3HE   MET  76          2HE       MET  76   2.295  -2.520  -0.084
  543    H    SER  77           H        SER  77   5.372  -6.174   4.081
  544    HA   SER  77           HA       SER  77   6.814  -5.129   6.371
  545   1HB   SER  77          1HB       SER  77   4.574  -6.311   6.414
  546   2HB   SER  77          2HB       SER  77   5.458  -7.824   6.156
  547    HG   SER  77           HG       SER  77   6.719  -7.157   8.048
  548    H    LYS  78           HN       LYS  78   8.195  -6.757   3.779
  549    HA   LYS  78           HA       LYS  78  10.348  -7.906   5.445
  550   1HB   LYS  78          2HB       LYS  78   8.848  -9.287   3.164
  551   2HB   LYS  78          1HB       LYS  78  10.356  -9.859   3.896
  552   1HG   LYS  78          1HG       LYS  78   9.243 -10.289   6.021
  553   2HG   LYS  78          2HG       LYS  78   7.762  -9.508   5.457
  554   1HD   LYS  78          2HD       LYS  78   7.432 -11.874   5.362
  555   2HD   LYS  78          1HD       LYS  78   7.417 -11.185   3.734
  556   1HE   LYS  78          1HE       LYS  78   9.717 -11.992   3.335
  557   2HE   LYS  78          2HE       LYS  78   9.812 -12.599   5.003
  558   1HZ   LYS  78          1HZ       LYS  78   7.927 -13.510   2.942
  559   2HZ   LYS  78          3HZ       LYS  78   9.279 -14.315   3.435
  560   3HZ   LYS  78          2HZ       LYS  78   8.024 -14.092   4.480
  561    H    LEU  79           H        LEU  79  10.418  -5.343   4.405
  562    HA   LEU  79           HA       LEU  79  12.099  -5.434   2.054
  563   1HB   LEU  79          2HB       LEU  79   9.703  -5.385   1.273
  564   2HB   LEU  79          1HB       LEU  79   9.392  -4.087   2.437
  565    HG   LEU  79           HG       LEU  79  11.012  -2.691   1.290
  566   1HD1  LEU  79          3HD1      LEU  79  10.848  -4.944  -0.778
  567   2HD1  LEU  79          2HD1      LEU  79  11.526  -3.341  -1.139
  568   3HD1  LEU  79          1HD1      LEU  79  12.311  -4.386   0.060
  569   1HD2  LEU  79          3HD2      LEU  79   8.612  -3.661  -0.316
  570   2HD2  LEU  79          2HD2      LEU  79   8.608  -2.417   0.955
  571   3HD2  LEU  79          1HD2      LEU  79   9.449  -2.114  -0.572
  572    HHA  HEC   1           HHA      HEM   1   1.544   5.002   3.047
  573    HHB  HEC   1           HHB      HEM   1  -0.300  -0.373   0.146
  574    HHC  HEC   1           HHC      HEM   1   0.737   2.574  -5.457
  575    HHD  HEC   1           HHD      HEM   1   0.717   8.187  -2.360
  576   1HMA  HEC   1          1HMA      HEM   1   0.552  -0.731   2.757
  577   2HMA  HEC   1          2HMA      HEM   1  -0.420   0.155   3.952
  578   3HMA  HEC   1          3HMA      HEM   1  -1.155  -0.331   2.425
  579   1HAA  HEC   1          1HAA      HEM   1   1.825   3.247   4.433
  580   2HAA  HEC   1          2HAA      HEM   1   1.121   1.693   4.833
  581   1HBA  HEC   1          1HBA      HEM   1  -0.573   4.192   4.471
  582   2HBA  HEC   1          2HBA      HEM   1  -1.059   2.653   5.170
  583   1HMB  HEC   1          1HMB      HEM   1   0.485  -1.937  -1.497
  584   2HMB  HEC   1          2HMB      HEM   1  -0.056  -2.207  -3.147
  585   3HMB  HEC   1          3HMB      HEM   1  -1.235  -1.732  -1.904
  586    HAB  HEC   1           HAB      HEM   1   0.525   0.544  -5.899
  587   1HBB  HEC   1          1HBB      HEM   1  -1.757  -0.179  -5.668
  588   2HBB  HEC   1          2HBB      HEM   1  -1.249  -1.685  -4.885
  589   3HBB  HEC   1          3HBB      HEM   1  -0.775  -1.357  -6.559
  590   1HMC  HEC   1          1HMC      HEM   1   1.798   4.445  -6.899
  591   2HMC  HEC   1          2HMC      HEM   1   0.833   5.893  -7.227
  592   3HMC  HEC   1          3HMC      HEM   1   0.022   4.356  -6.933
  593    HAC  HEC   1           HAC      HEM   1   1.682   8.437  -4.338
  594   1HBC  HEC   1          1HBC      HEM   1  -0.246   7.808  -6.591
  595   2HBC  HEC   1          2HBC      HEM   1  -0.652   8.599  -5.057
  596   3HBC  HEC   1          3HBC      HEM   1   0.425   9.402  -6.224
  597   1HMD  HEC   1          1HMD      HEM   1  -0.061   9.789   1.046
  598   2HMD  HEC   1          2HMD      HEM   1   1.125   9.779  -0.272
  599   3HMD  HEC   1          3HMD      HEM   1  -0.584   9.403  -0.596
  600   1HAD  HEC   1          1HAD      HEM   1  -0.771   7.766   3.061
  601   2HAD  HEC   1          2HAD      HEM   1   0.659   8.772   2.912
  602   1HBD  HEC   1          1HBD      HEM   1   1.983   7.001   4.172
  603   2HBD  HEC   1          2HBD      HEM   1   0.494   6.124   4.452
   
  No H/Q in entry =         603
  Start of MODEL   36
    1   1H    ALA   1          1H        ALA   1  -3.647 -14.499  -6.480
    2   2H    ALA   1          2H        ALA   1  -4.076 -13.073  -7.102
    3   3H    ALA   1          3H        ALA   1  -4.031 -14.406  -8.103
    4    HA   ALA   1           HA       ALA   1  -1.667 -14.531  -7.890
    5   1HB   ALA   1          2HB       ALA   1  -2.530 -12.946  -9.603
    6   2HB   ALA   1          1HB       ALA   1  -2.467 -11.629  -8.416
    7   3HB   ALA   1          3HB       ALA   1  -0.973 -12.432  -8.946
    8    H    ASP   2           HN       ASP   2  -0.104 -11.973  -7.106
    9    HA   ASP   2           HA       ASP   2  -0.639 -11.871  -4.232
   10   1HB   ASP   2          1HB       ASP   2   1.342 -12.829  -3.493
   11   2HB   ASP   2          2HB       ASP   2   0.900 -13.928  -4.790
   12    H    GLY   3           H        GLY   3   0.192 -10.131  -3.266
   13   1HA   GLY   3          2HA       GLY   3   0.572  -7.755  -3.732
   14   2HA   GLY   3          1HA       GLY   3   1.845  -8.548  -2.814
   15    H    ALA   4           H        ALA   4   3.458  -9.786  -4.508
   16    HA   ALA   4           HA       ALA   4   5.194  -7.770  -5.349
   17   1HB   ALA   4          1HB       ALA   4   5.844 -10.121  -4.975
   18   2HB   ALA   4          3HB       ALA   4   4.966 -10.604  -6.445
   19   3HB   ALA   4          2HB       ALA   4   6.382  -9.538  -6.563
   20    H    ALA   5           H        ALA   5   2.644  -9.426  -7.226
   21    HA   ALA   5           HA       ALA   5   3.379  -8.480  -9.810
   22   1HB   ALA   5          1HB       ALA   5   1.808 -10.344  -9.405
   23   2HB   ALA   5          2HB       ALA   5   0.626  -9.206  -8.717
   24   3HB   ALA   5          3HB       ALA   5   1.083  -9.087 -10.429
   25    H    LEU   6           H        LEU   6   1.257  -6.999  -7.233
   26    HA   LEU   6           HA       LEU   6   0.279  -4.888  -8.867
   27   1HB   LEU   6          2HB       LEU   6   0.518  -5.352  -5.853
   28   2HB   LEU   6          1HB       LEU   6  -0.369  -4.114  -6.652
   29    HG   LEU   6           HG       LEU   6  -1.349  -6.454  -7.868
   30   1HD1  LEU   6          2HD1      LEU   6  -0.102  -7.736  -6.044
   31   2HD1  LEU   6          1HD1      LEU   6  -1.135  -6.911  -4.856
   32   3HD1  LEU   6          3HD1      LEU   6  -1.835  -7.986  -6.083
   33   1HD2  LEU   6          3HD2      LEU   6  -2.503  -4.978  -5.460
   34   2HD2  LEU   6          2HD2      LEU   6  -2.755  -4.550  -7.169
   35   3HD2  LEU   6          1HD2      LEU   6  -3.393  -6.078  -6.534
   36    H    TYR   7           H        TYR   7   2.724  -5.339  -6.334
   37    HA   TYR   7           HA       TYR   7   3.530  -2.796  -5.933
   38   1HB   TYR   7          2HB       TYR   7   4.329  -4.974  -4.844
   39   2HB   TYR   7          1HB       TYR   7   5.630  -4.946  -6.010
   40    HD1  TYR   7           HD2      TYR   7   3.885  -2.362  -3.827
   41    HD2  TYR   7           HD1      TYR   7   7.649  -4.016  -5.138
   42    HE1  TYR   7           HE2      TYR   7   5.086  -0.661  -2.518
   43    HE2  TYR   7           HE1      TYR   7   8.840  -2.421  -3.670
   44    HH   TYR   7           HH       TYR   7   8.593  -0.824  -1.987
   45    H    LYS   8           HN       LYS   8   4.610  -4.757  -8.581
   46    HA   LYS   8           HA       LYS   8   6.632  -3.227  -9.698
   47   1HB   LYS   8          2HB       LYS   8   4.356  -4.424 -11.337
   48   2HB   LYS   8          1HB       LYS   8   5.992  -4.086 -11.895
   49   1HG   LYS   8          1HG       LYS   8   5.055  -6.247  -9.988
   50   2HG   LYS   8          2HG       LYS   8   5.790  -6.444 -11.565
   51   1HD   LYS   8          2HD       LYS   8   7.200  -5.416  -9.053
   52   2HD   LYS   8          1HD       LYS   8   7.346  -7.023  -9.761
   53   1HE   LYS   8          1HE       LYS   8   8.277  -6.029 -11.855
   54   2HE   LYS   8          2HE       LYS   8   8.204  -4.418 -11.116
   55   1HZ   LYS   8          3HZ       LYS   8   9.768  -6.685 -10.110
   56   2HZ   LYS   8          1HZ       LYS   8  10.359  -5.377 -10.920
   57   3HZ   LYS   8          2HZ       LYS   8   9.693  -5.187  -9.425
   58    H    SER   9           H        SER   9   3.251  -2.262  -9.550
   59    HA   SER   9           HA       SER   9   3.699   0.048 -11.366
   60   1HB   SER   9          1HB       SER   9   1.270  -0.734  -9.698
   61   2HB   SER   9          2HB       SER   9   1.347   0.493 -10.979
   62    HG   SER   9           HG       SER   9   1.889  -2.283 -11.320
   63    H    CYS  10           H        CYS  10   3.114  -0.719  -7.939
   64    HA   CYS  10           HA       CYS  10   2.693   1.814  -6.853
   65   1HB   CYS  10          2HB       CYS  10   3.982  -0.477  -5.472
   66   2HB   CYS  10          1HB       CYS  10   2.995   0.760  -4.754
   67    H    ILE  11           H        ILE  11   5.660  -0.056  -7.507
   68    HA   ILE  11           HA       ILE  11   7.384   1.495  -6.041
   69    HB   ILE  11           HB       ILE  11   9.196   0.871  -7.684
   70   1HG1  ILE  11          1HG1      ILE  11   7.003  -0.767  -8.971
   71   2HG1  ILE  11          2HG1      ILE  11   7.673   0.708  -9.683
   72   1HG2  ILE  11          3HG2      ILE  11   8.627  -0.405  -5.644
   73   2HG2  ILE  11          1HG2      ILE  11   7.478  -1.382  -6.579
   74   3HG2  ILE  11          2HG2      ILE  11   9.216  -1.454  -6.932
   75   1HD1  ILE  11          3HD1      ILE  11   9.936  -0.375  -9.686
   76   2HD1  ILE  11          1HD1      ILE  11   9.171  -1.890  -9.147
   77   3HD1  ILE  11          2HD1      ILE  11   8.738  -1.188 -10.712
   78    H    GLY  12           H        GLY  12   5.704   2.480  -8.948
   79   1HA   GLY  12          1HA       GLY  12   7.279   4.498 -10.014
   80   2HA   GLY  12          2HA       GLY  12   5.515   4.559  -9.846
   81    H    CYS  13           H        CYS  13   5.527   4.473  -6.893
   82    HA   CYS  13           HA       CYS  13   6.561   7.245  -6.287
   83   1HB   CYS  13          2HB       CYS  13   4.155   5.721  -5.315
   84   2HB   CYS  13          1HB       CYS  13   4.795   7.131  -4.472
   85    H    HIS  14           HN       HIS  14   6.041   3.903  -5.016
   86    HA   HIS  14           HA       HIS  14   7.331   4.474  -2.521
   87   1HB   HIS  14          1HB       HIS  14   6.276   2.020  -3.939
   88   2HB   HIS  14          2HB       HIS  14   7.123   1.965  -2.417
   89    HD1  HIS  14           HD1      HIS  14   6.016   3.839  -0.535
   90    HD2  HIS  14           HD2      HIS  14   3.606   2.772  -3.774
   91    HE1  HIS  14           HE1      HIS  14   3.631   4.418   0.081
   92    H    GLY  15           H        GLY  15   8.557   3.443  -5.561
   93   1HA   GLY  15          2HA       GLY  15  10.748   3.426  -6.278
   94   2HA   GLY  15          1HA       GLY  15  11.294   3.764  -4.632
   95    H    ALA  16           H        ALA  16  10.913   1.825  -3.075
   96    HA   ALA  16           HA       ALA  16  11.070  -0.838  -4.195
   97   1HB   ALA  16          2HB       ALA  16  13.711   0.433  -3.336
   98   2HB   ALA  16          3HB       ALA  16  13.447  -1.312  -3.550
   99   3HB   ALA  16          1HB       ALA  16  13.296  -0.217  -4.930
  100    H    ASP  17           HN       ASP  17  12.885   0.541  -1.429
  101    HA   ASP  17           HA       ASP  17  11.930  -1.404   0.403
  102   1HB   ASP  17          1HB       ASP  17  12.904  -0.018   2.130
  103   2HB   ASP  17          2HB       ASP  17  14.006  -0.305   0.789
  104    H    GLY  18           H        GLY  18  10.822   1.860  -0.276
  105   1HA   GLY  18          2HA       GLY  18   8.429   2.362  -0.211
  106   2HA   GLY  18          1HA       GLY  18   8.279   1.352   1.231
  107    H    SER  19           H        SER  19  11.218   3.220   1.151
  108    HA   SER  19           HA       SER  19  10.463   4.831   3.384
  109   1HB   SER  19          2HB       SER  19  12.815   5.072   1.473
  110   2HB   SER  19          1HB       SER  19  12.639   5.918   3.024
  111    HG   SER  19           HG       SER  19  13.640   3.540   2.725
  112    H    LYS  20           HN       LYS  20  10.714   5.384  -0.094
  113    HA   LYS  20           HA       LYS  20  10.314   7.152  -1.438
  114   1HB   LYS  20          1HB       LYS  20   7.898   7.426  -1.634
  115   2HB   LYS  20          2HB       LYS  20   8.357   5.786  -1.243
  116   1HG   LYS  20          1HG       LYS  20   7.537   5.811   0.899
  117   2HG   LYS  20          2HG       LYS  20   7.639   7.560   1.078
  118   1HD   LYS  20          1HD       LYS  20   5.709   7.939  -0.260
  119   2HD   LYS  20          2HD       LYS  20   5.674   6.275  -0.852
  120   1HE   LYS  20          1HE       LYS  20   3.974   6.692   0.938
  121   2HE   LYS  20          2HE       LYS  20   5.156   5.462   1.433
  122   1HZ   LYS  20          1HZ       LYS  20   5.241   8.275   2.240
  123   2HZ   LYS  20          3HZ       LYS  20   4.736   6.996   3.153
  124   3HZ   LYS  20          2HZ       LYS  20   6.305   7.105   2.675
  125    H    ALA  21           H        ALA  21   8.091   8.994  -0.679
  126    HA   ALA  21           HA       ALA  21   8.065  11.031   0.897
  127   1HB   ALA  21          3HB       ALA  21  10.569  11.477  -0.818
  128   2HB   ALA  21          1HB       ALA  21   9.702  12.753   0.060
  129   3HB   ALA  21          2HB       ALA  21  10.486  11.452   0.962
  130    H    ALA  22           H        ALA  22   6.283  10.142  -0.475
  131    HA   ALA  22           HA       ALA  22   6.255  10.840  -3.340
  132   1HB   ALA  22          3HB       ALA  22   5.657   8.576  -2.585
  133   2HB   ALA  22          1HB       ALA  22   4.286   9.232  -1.668
  134   3HB   ALA  22          2HB       ALA  22   4.342   9.373  -3.443
  135    H    MET  23           H        MET  23   3.119  10.841  -2.597
  136    HA   MET  23           HA       MET  23   2.830  13.679  -3.013
  137   1HB   MET  23          2HB       MET  23   0.753  11.598  -2.242
  138   2HB   MET  23          1HB       MET  23   0.433  13.226  -2.854
  139   1HG   MET  23          1HG       MET  23   1.828  10.988  -4.380
  140   2HG   MET  23          2HG       MET  23   0.169  11.531  -4.582
  141   1HE   MET  23          3HE       MET  23   3.459  11.506  -6.128
  142   2HE   MET  23          1HE       MET  23   3.796  13.153  -6.703
  143   3HE   MET  23          2HE       MET  23   3.977  12.771  -4.982
  144    H    GLY  24           H        GLY  24   4.231  14.231  -1.148
  145   1HA   GLY  24          1HA       GLY  24   4.033  15.765   0.675
  146   2HA   GLY  24          2HA       GLY  24   2.559  14.955   1.226
  147    H    SER  25           H        SER  25   4.098  15.186   3.272
  148    HA   SER  25           HA       SER  25   6.224  13.223   3.550
  149   1HB   SER  25          2HB       SER  25   6.053  14.030   5.939
  150   2HB   SER  25          1HB       SER  25   6.348  15.318   4.751
  151    HG   SER  25           HG       SER  25   3.849  14.569   5.869
  152    H    ALA  26           H        ALA  26   4.608  11.598   2.644
  153    HA   ALA  26           HA       ALA  26   2.484  10.583   4.337
  154   1HB   ALA  26          1HB       ALA  26   3.906   9.642   1.819
  155   2HB   ALA  26          2HB       ALA  26   2.678   8.655   2.626
  156   3HB   ALA  26          3HB       ALA  26   2.265  10.272   2.003
  157    H    LYS  27           HN       LYS  27   2.454   8.533   5.531
  158    HA   LYS  27           HA       LYS  27   4.631   7.987   7.159
  159   1HB   LYS  27          2HB       LYS  27   1.992   6.773   6.358
  160   2HB   LYS  27          1HB       LYS  27   3.096   5.860   7.327
  161   1HG   LYS  27          1HG       LYS  27   3.210   7.596   9.021
  162   2HG   LYS  27          2HG       LYS  27   2.118   8.641   8.084
  163   1HD   LYS  27          2HD       LYS  27   1.414   5.884   9.217
  164   2HD   LYS  27          1HD       LYS  27   1.019   7.429   9.992
  165   1HE   LYS  27          1HE       LYS  27  -0.348   8.069   7.990
  166   2HE   LYS  27          2HE       LYS  27   0.005   6.488   7.278
  167   1HZ   LYS  27          2HZ       LYS  27  -1.051   5.450   9.117
  168   2HZ   LYS  27          3HZ       LYS  27  -1.431   6.913   9.784
  169   3HZ   LYS  27          1HZ       LYS  27  -2.079   6.466   8.330
  170    HA   PRO  28           HA       PRO  28   6.955   5.686   4.014
  171   1HB   PRO  28          1HB       PRO  28   8.327   4.745   6.570
  172   2HB   PRO  28          2HB       PRO  28   9.090   5.165   5.015
  173   1HG   PRO  28          2HG       PRO  28   9.113   6.981   7.006
  174   2HG   PRO  28          1HG       PRO  28   8.631   7.510   5.364
  175   1HD   PRO  28          1HD       PRO  28   6.822   6.795   7.692
  176   2HD   PRO  28          2HD       PRO  28   6.755   8.200   6.583
  177    H    VAL  29           H        VAL  29   6.717   3.662   3.172
  178    HA   VAL  29           HA       VAL  29   4.803   1.869   4.475
  179    HB   VAL  29           HB       VAL  29   6.148   2.068   1.761
  180   1HG1  VAL  29          2HG1      VAL  29   4.630  -0.364   2.773
  181   2HG1  VAL  29          3HG1      VAL  29   4.983  -0.019   1.067
  182   3HG1  VAL  29          1HG1      VAL  29   6.310  -0.344   2.182
  183   1HG2  VAL  29          1HG2      VAL  29   4.051   3.305   2.270
  184   2HG2  VAL  29          3HG2      VAL  29   3.773   2.027   1.056
  185   3HG2  VAL  29          2HG2      VAL  29   3.302   1.762   2.740
  186    H    LYS  30           HN       LYS  30   8.240   1.905   3.742
  187    HA   LYS  30           HA       LYS  30   9.184  -0.552   3.874
  188   1HB   LYS  30          2HB       LYS  30  10.529   1.498   3.806
  189   2HB   LYS  30          1HB       LYS  30  10.334   1.690   5.560
  190   1HG   LYS  30          2HG       LYS  30  11.424  -0.580   5.853
  191   2HG   LYS  30          1HG       LYS  30  11.644  -0.665   4.104
  192   1HD   LYS  30          2HD       LYS  30  13.067   1.396   4.203
  193   2HD   LYS  30          1HD       LYS  30  12.758   1.512   5.941
  194   1HE   LYS  30          1HE       LYS  30  14.931   0.503   5.656
  195   2HE   LYS  30          2HE       LYS  30  13.826  -0.745   6.259
  196   1HZ   LYS  30          3HZ       LYS  30  13.624  -1.542   3.982
  197   2HZ   LYS  30          2HZ       LYS  30  14.670  -0.383   3.468
  198   3HZ   LYS  30          1HZ       LYS  30  15.184  -1.560   4.497
  199    H    GLY  31           H        GLY  31   8.078  -2.134   4.931
  200   1HA   GLY  31          2HA       GLY  31   7.078  -3.317   6.509
  201   2HA   GLY  31          1HA       GLY  31   8.663  -3.186   7.291
  202    H    GLN  32           H        GLN  32   5.829  -0.942   6.922
  203    HA   GLN  32           HA       GLN  32   5.900   0.200   9.437
  204   1HB   GLN  32          2HB       GLN  32   3.138  -0.590   8.472
  205   2HB   GLN  32          1HB       GLN  32   3.687   0.868   9.287
  206   1HG   GLN  32          2HG       GLN  32   5.040   1.342   7.186
  207   2HG   GLN  32          1HG       GLN  32   4.117   0.050   6.408
  208   1HE2  GLN  32          1HE2      GLN  32   2.478   3.619   6.151
  209   2HE2  GLN  32          2HE2      GLN  32   4.171   3.323   6.506
  210    H    GLY  33           H        GLY  33   3.905  -2.445   8.729
  211   1HA   GLY  33          2HA       GLY  33   4.874  -4.437  10.535
  212   2HA   GLY  33          1HA       GLY  33   3.477  -3.625  11.289
  213    H    ALA  34           H        ALA  34   3.998  -6.408   9.607
  214    HA   ALA  34           HA       ALA  34   2.454  -6.265   7.304
  215   1HB   ALA  34          2HB       ALA  34   3.773  -8.261   7.927
  216   2HB   ALA  34          3HB       ALA  34   2.572  -8.660   9.177
  217   3HB   ALA  34          1HB       ALA  34   2.114  -8.661   7.461
  218    H    GLU  35           HN       GLU  35   1.249  -6.725  10.614
  219    HA   GLU  35           HA       GLU  35  -1.468  -7.231   9.911
  220   1HB   GLU  35          1HB       GLU  35  -0.023  -7.255  12.245
  221   2HB   GLU  35          2HB       GLU  35  -0.905  -5.749  12.472
  222   1HG   GLU  35          2HG       GLU  35  -2.137  -8.475  11.849
  223   2HG   GLU  35          1HG       GLU  35  -2.076  -7.699  13.436
  224    H    GLU  36           HN       GLU  36   0.223  -4.284  10.908
  225    HA   GLU  36           HA       GLU  36  -1.777  -2.333  10.686
  226   1HB   GLU  36          1HB       GLU  36   1.236  -2.221  10.091
  227   2HB   GLU  36          2HB       GLU  36   0.243  -0.814  10.173
  228   1HG   GLU  36          2HG       GLU  36   0.672  -2.819  12.448
  229   2HG   GLU  36          1HG       GLU  36   1.519  -1.286  12.225
  230    H    LEU  37           H        LEU  37   0.672  -3.294   8.223
  231    HA   LEU  37           HA       LEU  37  -0.178  -1.776   6.084
  232   1HB   LEU  37          2HB       LEU  37   1.328  -4.358   6.651
  233   2HB   LEU  37          1HB       LEU  37   0.977  -3.972   5.032
  234    HG   LEU  37           HG       LEU  37   2.312  -1.915   6.809
  235   1HD1  LEU  37          1HD2      LEU  37   3.545  -4.268   5.364
  236   2HD1  LEU  37          2HD2      LEU  37   4.489  -2.797   5.718
  237   3HD1  LEU  37          3HD2      LEU  37   3.804  -3.764   7.025
  238   1HD2  LEU  37          1HD1      LEU  37   2.334  -2.398   3.796
  239   2HD2  LEU  37          2HD1      LEU  37   1.442  -1.112   4.640
  240   3HD2  LEU  37          3HD1      LEU  37   3.208  -1.104   4.629
  241    H    TYR  38           HN       TYR  38  -0.874  -5.315   6.604
  242    HA   TYR  38           HA       TYR  38  -2.684  -5.736   4.648
  243   1HB   TYR  38          2HB       TYR  38  -1.991  -7.497   6.137
  244   2HB   TYR  38          1HB       TYR  38  -2.785  -6.724   7.506
  245    HD1  TYR  38           HD1      TYR  38  -3.720  -7.809   4.005
  246    HD2  TYR  38           HE2      TYR  38  -4.819  -7.679   8.175
  247    HE1  TYR  38           HD2      TYR  38  -5.894  -8.883   3.474
  248    HE2  TYR  38           HE1      TYR  38  -6.943  -8.825   7.650
  249    HH   TYR  38           HH       TYR  38  -8.252  -9.774   6.001
  250    H    LYS  39           HN       LYS  39  -3.613  -4.442   7.852
  251    HA   LYS  39           HA       LYS  39  -6.352  -4.021   7.129
  252   1HB   LYS  39          1HB       LYS  39  -4.543  -2.784   9.249
  253   2HB   LYS  39          2HB       LYS  39  -6.227  -2.286   9.047
  254   1HG   LYS  39          2HG       LYS  39  -7.012  -4.574   9.420
  255   2HG   LYS  39          1HG       LYS  39  -5.339  -5.164   9.544
  256   1HD   LYS  39          1HD       LYS  39  -4.933  -3.881  11.531
  257   2HD   LYS  39          2HD       LYS  39  -6.464  -2.997  11.378
  258   1HE   LYS  39          2HE       LYS  39  -7.772  -4.965  11.860
  259   2HE   LYS  39          1HE       LYS  39  -6.356  -6.022  11.732
  260   1HZ   LYS  39          2HZ       LYS  39  -6.708  -3.950  13.777
  261   2HZ   LYS  39          3HZ       LYS  39  -6.933  -5.570  13.997
  262   3HZ   LYS  39          1HZ       LYS  39  -5.433  -4.992  13.630
  263    H    LYS  40           HN       LYS  40  -3.527  -1.820   6.849
  264    HA   LYS  40           HA       LYS  40  -5.060   0.450   5.933
  265   1HB   LYS  40          2HB       LYS  40  -2.127  -0.331   5.640
  266   2HB   LYS  40          1HB       LYS  40  -2.773   1.226   5.205
  267   1HG   LYS  40          1HG       LYS  40  -3.044   0.096   8.034
  268   2HG   LYS  40          2HG       LYS  40  -1.630   1.005   7.478
  269   1HD   LYS  40          1HD       LYS  40  -3.124   2.886   6.920
  270   2HD   LYS  40          2HD       LYS  40  -4.515   2.006   7.584
  271   1HE   LYS  40          1HE       LYS  40  -3.367   1.925   9.798
  272   2HE   LYS  40          2HE       LYS  40  -1.973   2.780   9.105
  273   1HZ   LYS  40          3HZ       LYS  40  -3.408   4.631   8.647
  274   2HZ   LYS  40          1HZ       LYS  40  -4.697   3.846   9.309
  275   3HZ   LYS  40          2HZ       LYS  40  -3.415   4.264  10.256
  276    H    MET  41           H        MET  41  -3.053  -1.928   3.978
  277    HA   MET  41           HA       MET  41  -3.986  -0.836   1.517
  278   1HB   MET  41          1HB       MET  41  -3.471  -3.216   0.586
  279   2HB   MET  41          2HB       MET  41  -2.245  -2.040   0.958
  280   1HG   MET  41          2HG       MET  41  -2.845  -4.051   3.077
  281   2HG   MET  41          1HG       MET  41  -1.935  -4.611   1.666
  282   1HE   MET  41          3HE       MET  41  -0.035  -2.687   0.589
  283   2HE   MET  41          1HE       MET  41   1.389  -2.945   1.620
  284   3HE   MET  41          2HE       MET  41   0.401  -4.331   1.127
  285    H    LYS  42           HN       LYS  42  -5.434  -3.369   3.621
  286    HA   LYS  42           HA       LYS  42  -7.543  -4.030   1.844
  287   1HB   LYS  42          1HB       LYS  42  -6.950  -5.254   3.970
  288   2HB   LYS  42          2HB       LYS  42  -7.604  -3.907   4.894
  289   1HG   LYS  42          2HG       LYS  42  -9.842  -4.303   4.048
  290   2HG   LYS  42          1HG       LYS  42  -9.247  -5.429   2.829
  291   1HD   LYS  42          2HD       LYS  42 -10.315  -6.587   4.740
  292   2HD   LYS  42          1HD       LYS  42  -8.640  -7.075   4.473
  293   1HE   LYS  42          1HE       LYS  42  -9.198  -6.783   6.885
  294   2HE   LYS  42          2HE       LYS  42  -7.870  -5.744   6.362
  295   1HZ   LYS  42          2HZ       LYS  42 -10.676  -4.910   6.657
  296   2HZ   LYS  42          1HZ       LYS  42  -9.459  -4.577   7.718
  297   3HZ   LYS  42          3HZ       LYS  42  -9.427  -3.937   6.201
  298    H    GLY  43           H        GLY  43  -7.423  -1.654   4.507
  299   1HA   GLY  43          2HA       GLY  43  -9.894  -0.476   4.392
  300   2HA   GLY  43          1HA       GLY  43  -8.395   0.351   4.833
  301    H    TYR  44           H        TYR  44  -6.949   0.458   2.596
  302    HA   TYR  44           HA       TYR  44  -8.111   2.524   1.027
  303   1HB   TYR  44          1HB       TYR  44  -5.736   0.658   0.663
  304   2HB   TYR  44          2HB       TYR  44  -6.119   1.869  -0.539
  305    HD1  TYR  44           HD2      TYR  44  -6.777   4.293   0.997
  306    HD2  TYR  44           HD1      TYR  44  -3.638   1.377   1.477
  307    HE1  TYR  44           HE2      TYR  44  -5.361   5.991   1.980
  308    HE2  TYR  44           HE1      TYR  44  -2.139   3.169   2.247
  309    HH   TYR  44           HH       TYR  44  -3.248   6.504   2.848
  310    H    ALA  45           H        ALA  45  -7.314  -0.840   0.000
  311    HA   ALA  45           HA       ALA  45  -8.445  -0.717  -2.524
  312   1HB   ALA  45          3HB       ALA  45  -8.247  -3.077  -0.623
  313   2HB   ALA  45          2HB       ALA  45  -8.522  -3.201  -2.364
  314   3HB   ALA  45          1HB       ALA  45  -7.008  -2.516  -1.774
  315    H    ASP  46           HN       ASP  46 -10.168  -1.592   0.527
  316    HA   ASP  46           HA       ASP  46 -12.613  -2.174  -0.945
  317   1HB   ASP  46          1HB       ASP  46 -13.631  -2.626   1.158
  318   2HB   ASP  46          2HB       ASP  46 -12.055  -3.417   1.066
  319    H    GLY  47           H        GLY  47 -11.177   0.796  -0.083
  320   1HA   GLY  47          1HA       GLY  47 -12.010   2.869  -0.540
  321   2HA   GLY  47          2HA       GLY  47 -13.606   2.200  -0.855
  322    H    SER  48           H        SER  48 -11.563   2.005   2.119
  323    HA   SER  48           HA       SER  48 -13.631   3.655   3.571
  324   1HB   SER  48          1HB       SER  48 -13.100   2.342   5.575
  325   2HB   SER  48          2HB       SER  48 -13.809   1.348   4.288
  326    HG   SER  48           HG       SER  48 -11.780   0.577   3.783
  327    H    TYR  49           H        TYR  49 -10.446   2.427   4.456
  328    HA   TYR  49           HA       TYR  49  -9.576   4.853   5.669
  329   1HB   TYR  49          1HB       TYR  49  -8.536   2.688   6.178
  330   2HB   TYR  49          2HB       TYR  49  -7.928   2.526   4.543
  331    HD1  TYR  49           HD1      TYR  49  -7.806   5.040   7.356
  332    HD2  TYR  49           HD2      TYR  49  -5.673   3.002   4.210
  333    HE1  TYR  49           HE1      TYR  49  -5.716   6.186   8.020
  334    HE2  TYR  49           HE2      TYR  49  -3.591   4.140   4.891
  335    HH   TYR  49           HH       TYR  49  -2.584   5.543   6.432
  336    H    GLY  50           H        GLY  50  -8.993   6.816   4.708
  337   1HA   GLY  50          2HA       GLY  50  -7.286   7.099   2.536
  338   2HA   GLY  50          1HA       GLY  50  -8.913   7.108   1.868
  339    H    GLY  51           H        GLY  51  -8.251   9.401   1.334
  340   1HA   GLY  51          2HA       GLY  51  -9.367  11.535   2.301
  341   2HA   GLY  51          1HA       GLY  51  -8.182  11.342   3.599
  342    H    GLU  52           HN       GLU  52  -8.690  12.769   0.568
  343    HA   GLU  52           HA       GLU  52  -7.463  13.670  -1.062
  344   1HB   GLU  52          2HB       GLU  52  -5.698  14.507   1.287
  345   2HB   GLU  52          1HB       GLU  52  -5.923  15.345  -0.263
  346   1HG   GLU  52          2HG       GLU  52  -7.928  14.953   2.002
  347   2HG   GLU  52          1HG       GLU  52  -7.231  16.464   1.422
  348    H    ARG  53           HN       ARG  53  -4.335  13.363   0.483
  349    HA   ARG  53           HA       ARG  53  -3.184  12.099  -1.771
  350   1HB   ARG  53          1HB       ARG  53  -1.229  12.018  -0.392
  351   2HB   ARG  53          2HB       ARG  53  -2.052  13.546  -0.141
  352   1HG   ARG  53          2HG       ARG  53  -3.080  12.438   1.988
  353   2HG   ARG  53          1HG       ARG  53  -1.890  11.149   1.718
  354   1HD   ARG  53          1HD       ARG  53  -0.959  12.636   3.304
  355   2HD   ARG  53          2HD       ARG  53  -0.076  12.913   1.815
  356    HE   ARG  53           HE       ARG  53  -2.105  14.644   3.156
  357   1HH1  ARG  53          2HH1      ARG  53   0.221  14.369   0.462
  358   2HH1  ARG  53          1HH1      ARG  53   0.144  16.066   0.091
  359   1HH2  ARG  53          2HH2      ARG  53  -2.171  16.832   2.652
  360   2HH2  ARG  53          1HH2      ARG  53  -1.220  17.482   1.347
  361    H    LYS  54           HN       LYS  54  -4.582  10.920   1.244
  362    HA   LYS  54           HA       LYS  54  -3.849   8.138   0.913
  363   1HB   LYS  54          1HB       LYS  54  -5.949   9.319   2.744
  364   2HB   LYS  54          2HB       LYS  54  -5.054   7.820   2.941
  365   1HG   LYS  54          1HG       LYS  54  -2.975   9.378   2.926
  366   2HG   LYS  54          2HG       LYS  54  -4.140  10.665   3.278
  367   1HD   LYS  54          1HD       LYS  54  -5.013   9.295   5.221
  368   2HD   LYS  54          2HD       LYS  54  -3.699   8.145   4.934
  369   1HE   LYS  54          2HE       LYS  54  -2.972   9.611   6.681
  370   2HE   LYS  54          1HE       LYS  54  -2.047  10.048   5.237
  371   1HZ   LYS  54          3HZ       LYS  54  -4.438  11.443   6.227
  372   2HZ   LYS  54          2HZ       LYS  54  -2.882  11.956   6.402
  373   3HZ   LYS  54          1HZ       LYS  54  -3.556  11.873   4.902
  374    H    ALA  55           H        ALA  55  -6.399  10.316  -0.046
  375    HA   ALA  55           HA       ALA  55  -8.441   8.339  -0.687
  376   1HB   ALA  55          3HB       ALA  55  -9.150  10.624  -0.284
  377   2HB   ALA  55          1HB       ALA  55  -8.276  11.177  -1.736
  378   3HB   ALA  55          2HB       ALA  55  -9.618  10.048  -1.882
  379    H    MET  56           H        MET  56  -5.852  10.011  -2.561
  380    HA   MET  56           HA       MET  56  -6.464   8.743  -5.052
  381   1HB   MET  56          2HB       MET  56  -4.872  10.597  -4.881
  382   2HB   MET  56          1HB       MET  56  -3.781   9.628  -3.882
  383   1HG   MET  56          1HG       MET  56  -2.983   9.748  -6.183
  384   2HG   MET  56          2HG       MET  56  -3.379   8.087  -5.750
  385   1HE   MET  56          2HE       MET  56  -2.793   8.553  -8.619
  386   2HE   MET  56          3HE       MET  56  -3.544   7.032  -8.067
  387   3HE   MET  56          1HE       MET  56  -4.203   7.890  -9.479
  388    H    MET  57           H        MET  57  -4.232   7.815  -2.424
  389    HA   MET  57           HA       MET  57  -3.187   5.461  -3.257
  390   1HB   MET  57          2HB       MET  57  -3.469   7.038  -0.873
  391   2HB   MET  57          1HB       MET  57  -3.903   5.420  -0.453
  392   1HG   MET  57          2HG       MET  57  -1.353   6.549  -1.586
  393   2HG   MET  57          1HG       MET  57  -1.572   5.763  -0.018
  394   1HE   MET  57          2HE       MET  57  -3.269   3.209  -1.026
  395   2HE   MET  57          3HE       MET  57  -2.211   2.036  -1.831
  396   3HE   MET  57          1HE       MET  57  -1.857   2.564  -0.174
  397    H    THR  58           H        THR  58  -6.270   6.029  -1.601
  398    HA   THR  58           HA       THR  58  -7.313   3.590  -1.033
  399    HB   THR  58           HB       THR  58  -8.885   5.708  -2.499
  400    HG1  THR  58           HG1      THR  58  -7.572   6.231  -0.426
  401   1HG2  THR  58          3HG2      THR  58 -10.081   3.542  -2.149
  402   2HG2  THR  58          1HG2      THR  58  -9.793   3.752  -0.401
  403   3HG2  THR  58          2HG2      THR  58 -10.780   4.925  -1.291
  404    H    ASN  59           H        ASN  59  -7.129   4.921  -4.385
  405    HA   ASN  59           HA       ASN  59  -7.713   2.126  -5.344
  406   1HB   ASN  59          2HB       ASN  59  -8.814   4.749  -6.375
  407   2HB   ASN  59          1HB       ASN  59  -8.692   3.312  -7.391
  408   1HD2  ASN  59          1HD2      ASN  59 -10.992   1.986  -4.393
  409   2HD2  ASN  59          2HD2      ASN  59  -9.251   2.059  -4.251
  410    H    ALA  60           H        ALA  60  -5.225   3.838  -4.758
  411    HA   ALA  60           HA       ALA  60  -3.776   3.373  -7.276
  412   1HB   ALA  60          3HB       ALA  60  -2.893   4.868  -5.479
  413   2HB   ALA  60          1HB       ALA  60  -2.695   3.444  -4.421
  414   3HB   ALA  60          2HB       ALA  60  -1.768   3.581  -5.922
  415    H    VAL  61           H        VAL  61  -4.605   1.667  -4.284
  416    HA   VAL  61           HA       VAL  61  -3.710  -0.998  -5.313
  417    HB   VAL  61           HB       VAL  61  -3.029  -0.159  -3.089
  418   1HG1  VAL  61          1HG1      VAL  61  -5.970  -0.419  -2.368
  419   2HG1  VAL  61          3HG1      VAL  61  -4.630  -0.214  -1.224
  420   3HG1  VAL  61          2HG1      VAL  61  -5.006   1.067  -2.385
  421   1HG2  VAL  61          3HG2      VAL  61  -3.165  -2.609  -3.625
  422   2HG2  VAL  61          2HG2      VAL  61  -3.273  -2.185  -1.907
  423   3HG2  VAL  61          1HG2      VAL  61  -4.732  -2.636  -2.781
  424    H    LYS  62           HN       LYS  62  -5.983   0.549  -6.462
  425    HA   LYS  62           HA       LYS  62  -8.326   0.062  -6.497
  426   1HB   LYS  62          1HB       LYS  62  -6.870   0.511  -8.572
  427   2HB   LYS  62          2HB       LYS  62  -6.758  -1.232  -8.746
  428   1HG   LYS  62          1HG       LYS  62  -8.412  -0.473 -10.254
  429   2HG   LYS  62          2HG       LYS  62  -9.291  -1.303  -8.969
  430   1HD   LYS  62          2HD       LYS  62  -9.758   0.965  -7.916
  431   2HD   LYS  62          1HD       LYS  62  -8.925   1.726  -9.277
  432   1HE   LYS  62          2HE       LYS  62 -11.431  -0.023  -9.449
  433   2HE   LYS  62          1HE       LYS  62 -11.400   1.746  -9.501
  434   1HZ   LYS  62          3HZ       LYS  62 -10.080   1.604 -11.491
  435   2HZ   LYS  62          2HZ       LYS  62 -10.141  -0.043 -11.458
  436   3HZ   LYS  62          1HZ       LYS  62 -11.521   0.828 -11.676
  437    H    LYS  63           HN       LYS  63  -8.866  -1.244  -4.972
  438    HA   LYS  63           HA       LYS  63  -9.895  -2.990  -3.994
  439   1HB   LYS  63          2HB       LYS  63 -10.644  -3.158  -6.883
  440   2HB   LYS  63          1HB       LYS  63 -11.362  -4.284  -5.713
  441   1HG   LYS  63          2HG       LYS  63 -12.857  -2.478  -6.001
  442   2HG   LYS  63          1HG       LYS  63 -12.185  -2.396  -4.371
  443   1HD   LYS  63          1HD       LYS  63 -10.740  -0.494  -5.034
  444   2HD   LYS  63          2HD       LYS  63 -11.212  -0.692  -6.728
  445   1HE   LYS  63          2HE       LYS  63 -12.465   1.152  -5.719
  446   2HE   LYS  63          1HE       LYS  63 -13.592  -0.161  -6.052
  447   1HZ   LYS  63          3HZ       LYS  63 -12.321   0.246  -3.429
  448   2HZ   LYS  63          1HZ       LYS  63 -13.809   0.852  -3.834
  449   3HZ   LYS  63          2HZ       LYS  63 -13.551  -0.774  -3.794
  450    H    ALA  64           H        ALA  64  -7.035  -3.554  -4.546
  451    HA   ALA  64           HA       ALA  64  -6.429  -6.042  -5.511
  452   1HB   ALA  64          2HB       ALA  64  -4.859  -4.421  -4.489
  453   2HB   ALA  64          1HB       ALA  64  -5.497  -4.831  -2.879
  454   3HB   ALA  64          3HB       ALA  64  -4.624  -6.043  -3.831
  455    H    SER  65           H        SER  65  -6.829  -8.130  -4.985
  456    HA   SER  65           HA       SER  65  -9.058  -8.699  -3.239
  457   1HB   SER  65          2HB       SER  65  -7.452 -10.946  -4.407
  458   2HB   SER  65          1HB       SER  65  -9.194 -10.690  -4.372
  459    HG   SER  65           HG       SER  65  -8.830  -9.000  -5.958
  460    H    ASP  66           HN       ASP  66  -8.888 -10.768  -1.720
  461    HA   ASP  66           HA       ASP  66  -7.306 -10.050   0.445
  462   1HB   ASP  66          1HB       ASP  66  -7.928 -12.103   1.482
  463   2HB   ASP  66          2HB       ASP  66  -9.311 -11.566   0.523
  464    H    GLU  67           HN       GLU  67  -6.456 -12.663  -1.972
  465    HA   GLU  67           HA       GLU  67  -4.095 -13.535  -0.878
  466   1HB   GLU  67          1HB       GLU  67  -4.954 -12.997  -3.782
  467   2HB   GLU  67          2HB       GLU  67  -3.592 -13.955  -3.240
  468   1HG   GLU  67          2HG       GLU  67  -5.100 -15.555  -2.125
  469   2HG   GLU  67          1HG       GLU  67  -6.496 -14.643  -2.721
  470    H    GLU  68           HN       GLU  68  -4.766 -10.893  -3.090
  471    HA   GLU  68           HA       GLU  68  -2.159  -9.966  -3.604
  472   1HB   GLU  68          1HB       GLU  68  -4.614  -8.224  -3.459
  473   2HB   GLU  68          2HB       GLU  68  -3.252  -7.983  -4.474
  474   1HG   GLU  68          2HG       GLU  68  -5.475  -9.976  -4.747
  475   2HG   GLU  68          1HG       GLU  68  -4.976  -8.742  -5.889
  476    H    LEU  69           H        LEU  69  -4.633  -8.716  -1.304
  477    HA   LEU  69           HA       LEU  69  -3.098  -6.701  -0.111
  478   1HB   LEU  69          1HB       LEU  69  -5.354  -8.436   0.974
  479   2HB   LEU  69          2HB       LEU  69  -4.743  -7.005   1.806
  480    HG   LEU  69           HG       LEU  69  -5.899  -6.912  -1.019
  481   1HD1  LEU  69          1HD2      LEU  69  -7.205  -6.405   1.685
  482   2HD1  LEU  69          3HD2      LEU  69  -7.925  -5.983   0.113
  483   3HD1  LEU  69          2HD2      LEU  69  -7.630  -7.678   0.526
  484   1HD2  LEU  69          1HD1      LEU  69  -5.155  -4.821   1.032
  485   2HD2  LEU  69          3HD1      LEU  69  -4.473  -5.019  -0.598
  486   3HD2  LEU  69          2HD1      LEU  69  -6.143  -4.478  -0.406
  487    H    LYS  70           HN       LYS  70  -3.559 -10.100   1.036
  488    HA   LYS  70           HA       LYS  70  -2.035  -9.756   3.411
  489   1HB   LYS  70          1HB       LYS  70  -2.671 -12.174   1.665
  490   2HB   LYS  70          2HB       LYS  70  -1.901 -12.287   3.261
  491   1HG   LYS  70          2HG       LYS  70  -3.832 -11.475   4.389
  492   2HG   LYS  70          1HG       LYS  70  -4.561 -10.846   2.911
  493   1HD   LYS  70          1HD       LYS  70  -5.664 -12.912   3.703
  494   2HD   LYS  70          2HD       LYS  70  -5.035 -13.036   2.052
  495   1HE   LYS  70          2HE       LYS  70  -3.102 -14.302   2.794
  496   2HE   LYS  70          1HE       LYS  70  -3.537 -14.049   4.499
  497   1HZ   LYS  70          1HZ       LYS  70  -5.113 -15.546   2.516
  498   2HZ   LYS  70          3HZ       LYS  70  -4.182 -16.208   3.703
  499   3HZ   LYS  70          2HZ       LYS  70  -5.520 -15.331   4.099
  500    H    ALA  71           H        ALA  71  -1.134 -11.043   0.173
  501    HA   ALA  71           HA       ALA  71   1.605 -11.409   0.939
  502   1HB   ALA  71          1HB       ALA  71   0.203 -11.228  -1.740
  503   2HB   ALA  71          2HB       ALA  71   1.926 -11.657  -1.545
  504   3HB   ALA  71          3HB       ALA  71   0.648 -12.694  -0.858
  505    H    LEU  72           H        LEU  72  -0.144  -8.555  -0.391
  506    HA   LEU  72           HA       LEU  72   2.203  -7.121  -1.141
  507   1HB   LEU  72          2HB       LEU  72  -0.232  -6.832  -1.774
  508   2HB   LEU  72          1HB       LEU  72  -0.513  -6.095  -0.201
  509    HG   LEU  72           HG       LEU  72   1.027  -4.220  -0.996
  510   1HD1  LEU  72          1HD1      LEU  72   2.317  -5.570  -2.733
  511   2HD1  LEU  72          2HD1      LEU  72   0.821  -5.591  -3.686
  512   3HD1  LEU  72          3HD1      LEU  72   1.620  -4.061  -3.332
  513   1HD2  LEU  72          1HD2      LEU  72  -1.505  -5.159  -2.431
  514   2HD2  LEU  72          3HD2      LEU  72  -1.331  -3.890  -1.206
  515   3HD2  LEU  72          2HD2      LEU  72  -0.758  -3.651  -2.872
  516    H    ALA  73           H        ALA  73   0.153  -7.107   1.836
  517    HA   ALA  73           HA       ALA  73   1.770  -5.398   3.377
  518   1HB   ALA  73          2HB       ALA  73  -0.469  -6.165   4.030
  519   2HB   ALA  73          3HB       ALA  73   0.132  -7.817   4.276
  520   3HB   ALA  73          1HB       ALA  73   0.715  -6.501   5.313
  521    H    ASP  74           HN       ASP  74   1.923  -8.996   3.106
  522    HA   ASP  74           HA       ASP  74   4.133  -9.412   4.778
  523   1HB   ASP  74          2HB       ASP  74   2.790 -11.240   3.824
  524   2HB   ASP  74          1HB       ASP  74   3.436 -10.886   2.210
  525    H    TYR  75           H        TYR  75   4.133  -8.651   1.251
  526    HA   TYR  75           HA       TYR  75   6.915  -8.739   0.882
  527   1HB   TYR  75          2HB       TYR  75   5.011  -8.625  -0.838
  528   2HB   TYR  75          1HB       TYR  75   5.028  -6.880  -0.612
  529    HD1  TYR  75           HD2      TYR  75   7.031  -9.862  -1.619
  530    HD2  TYR  75           HD1      TYR  75   6.696  -5.567  -1.791
  531    HE1  TYR  75           HE2      TYR  75   8.811  -9.791  -3.346
  532    HE2  TYR  75           HE1      TYR  75   8.513  -5.504  -3.479
  533    HH   TYR  75           HH       TYR  75  10.014  -6.721  -4.718
  534    H    MET  76           H        MET  76   4.808  -5.909   1.677
  535    HA   MET  76           HA       MET  76   6.943  -4.007   1.852
  536   1HB   MET  76          1HB       MET  76   4.349  -4.027   3.414
  537   2HB   MET  76          2HB       MET  76   5.434  -2.653   3.181
  538   1HG   MET  76          2HG       MET  76   3.484  -3.952   1.354
  539   2HG   MET  76          1HG       MET  76   3.759  -2.247   1.604
  540   1HE   MET  76          1HE       MET  76   3.367  -4.575  -0.742
  541   2HE   MET  76          2HE       MET  76   3.214  -2.960  -1.471
  542   3HE   MET  76          3HE       MET  76   4.385  -4.159  -2.104
  543    H    SER  77           H        SER  77   5.736  -6.357   4.295
  544    HA   SER  77           HA       SER  77   7.446  -5.426   6.378
  545   1HB   SER  77          1HB       SER  77   5.926  -8.027   5.931
  546   2HB   SER  77          2HB       SER  77   6.537  -7.352   7.425
  547    HG   SER  77           HG       SER  77   4.497  -6.281   5.789
  548    H    LYS  78           HN       LYS  78   8.544  -6.603   3.514
  549    HA   LYS  78           HA       LYS  78  10.887  -7.887   4.748
  550   1HB   LYS  78          2HB       LYS  78   9.137  -9.085   2.538
  551   2HB   LYS  78          1HB       LYS  78  10.784  -9.610   2.919
  552   1HG   LYS  78          2HG       LYS  78  10.082 -10.189   5.223
  553   2HG   LYS  78          1HG       LYS  78   8.415  -9.718   4.827
  554   1HD   LYS  78          2HD       LYS  78   8.199 -11.463   3.182
  555   2HD   LYS  78          1HD       LYS  78   9.926 -11.849   3.264
  556   1HE   LYS  78          1HE       LYS  78   8.569 -13.506   4.502
  557   2HE   LYS  78          2HE       LYS  78   9.710 -12.658   5.559
  558   1HZ   LYS  78          2HZ       LYS  78   7.901 -11.258   6.270
  559   2HZ   LYS  78          3HZ       LYS  78   6.840 -12.068   5.299
  560   3HZ   LYS  78          1HZ       LYS  78   7.566 -12.845   6.555
  561    H    LEU  79           H        LEU  79  10.596  -5.199   4.008
  562    HA   LEU  79           HA       LEU  79  12.259  -4.902   1.672
  563   1HB   LEU  79          1HB       LEU  79   9.319  -4.268   2.068
  564   2HB   LEU  79          2HB       LEU  79  10.292  -2.973   1.510
  565    HG   LEU  79           HG       LEU  79   9.901  -5.666   0.117
  566   1HD1  LEU  79          1HD2      LEU  79   8.911  -2.831  -0.399
  567   2HD1  LEU  79          2HD2      LEU  79   8.833  -4.109  -1.621
  568   3HD1  LEU  79          3HD2      LEU  79   7.959  -4.296  -0.098
  569   1HD2  LEU  79          2HD1      LEU  79  11.591  -3.297  -0.785
  570   2HD2  LEU  79          1HD1      LEU  79  12.154  -4.954  -0.482
  571   3HD2  LEU  79          3HD1      LEU  79  11.082  -4.629  -1.837
  572    HHA  HEC   1           HHA      HEM   1   1.573   5.046   2.644
  573    HHB  HEC   1           HHB      HEM   1   0.234  -0.314  -0.570
  574    HHC  HEC   1           HHC      HEM   1   1.053   2.925  -6.045
  575    HHD  HEC   1           HHD      HEM   1   1.593   8.365  -2.733
  576   1HMA  HEC   1          1HMA      HEM   1  -0.177   0.096   3.206
  577   2HMA  HEC   1          2HMA      HEM   1  -0.626  -0.445   1.591
  578   3HMA  HEC   1          3HMA      HEM   1   1.053  -0.661   2.165
  579   1HAA  HEC   1          1HAA      HEM   1   1.029   1.731   4.311
  580   2HAA  HEC   1          2HAA      HEM   1   1.758   3.292   4.006
  581   1HBA  HEC   1          1HBA      HEM   1  -1.165   2.596   4.430
  582   2HBA  HEC   1          2HBA      HEM   1  -0.728   4.094   3.615
  583   1HMB  HEC   1          1HMB      HEM   1  -0.949  -1.350  -2.267
  584   2HMB  HEC   1          2HMB      HEM   1   0.694  -1.828  -2.771
  585   3HMB  HEC   1          3HMB      HEM   1  -0.617  -1.707  -3.967
  586    HAB  HEC   1           HAB      HEM   1  -0.513  -0.527  -5.809
  587   1HBB  HEC   1          1HBB      HEM   1   0.785   1.430  -7.583
  588   2HBB  HEC   1          2HBB      HEM   1  -0.812   1.733  -6.859
  589   3HBB  HEC   1          3HBB      HEM   1  -0.508   0.289  -7.816
  590   1HMC  HEC   1          1HMC      HEM   1   0.647   4.835  -7.461
  591   2HMC  HEC   1          2HMC      HEM   1   1.668   6.258  -7.678
  592   3HMC  HEC   1          3HMC      HEM   1   2.420   4.684  -7.377
  593    HAC  HEC   1           HAC      HEM   1   2.569   8.650  -4.664
  594   1HBC  HEC   1          1HBC      HEM   1   0.290   8.986  -5.502
  595   2HBC  HEC   1          2HBC      HEM   1   0.745   8.251  -7.051
  596   3HBC  HEC   1          3HBC      HEM   1   1.502   9.769  -6.545
  597   1HMD  HEC   1          1HMD      HEM   1   1.716   9.895  -0.560
  598   2HMD  HEC   1          2HMD      HEM   1   0.090   9.525  -1.190
  599   3HMD  HEC   1          3HMD      HEM   1   0.311   9.881   0.520
  600   1HAD  HEC   1          1HAD      HEM   1  -0.890   7.592   2.209
  601   2HAD  HEC   1          2HAD      HEM   1   0.359   8.776   2.432
  602   1HBD  HEC   1          1HBD      HEM   1   0.065   6.088   3.750
  603   2HBD  HEC   1          2HBD      HEM   1   1.611   6.927   3.856
   
  No H/Q in entry =         603
  Start of MODEL   37
    1   1H    ALA   1          2H        ALA   1  -1.521  -9.927  -9.782
    2   2H    ALA   1          1H        ALA   1  -2.412 -10.986 -10.726
    3   3H    ALA   1          3H        ALA   1  -2.795 -10.676  -9.126
    4    HA   ALA   1           HA       ALA   1  -1.733 -12.772  -9.210
    5   1HB   ALA   1          3HB       ALA   1   0.598 -11.190 -10.393
    6   2HB   ALA   1          2HB       ALA   1   0.660 -12.884  -9.868
    7   3HB   ALA   1          1HB       ALA   1  -0.366 -12.421 -11.238
    8    H    ASP   2           HN       ASP   2   0.020 -13.300  -7.507
    9    HA   ASP   2           HA       ASP   2  -0.582 -12.155  -5.150
   10   1HB   ASP   2          2HB       ASP   2   1.342 -13.203  -4.205
   11   2HB   ASP   2          1HB       ASP   2   0.749 -14.243  -5.502
   12    H    GLY   3           H        GLY   3  -0.041 -10.546  -3.885
   13   1HA   GLY   3          2HA       GLY   3   0.430  -8.195  -3.778
   14   2HA   GLY   3          1HA       GLY   3   1.599  -9.135  -2.868
   15    H    ALA   4           H        ALA   4   3.473  -9.950  -4.234
   16    HA   ALA   4           HA       ALA   4   5.279  -7.875  -4.630
   17   1HB   ALA   4          1HB       ALA   4   5.871 -10.285  -4.418
   18   2HB   ALA   4          3HB       ALA   4   5.257 -10.575  -6.056
   19   3HB   ALA   4          2HB       ALA   4   6.666  -9.522  -5.811
   20    H    ALA   5           H        ALA   5   3.278  -9.500  -7.112
   21    HA   ALA   5           HA       ALA   5   4.296  -8.136  -9.391
   22   1HB   ALA   5          2HB       ALA   5   2.953 -10.209  -9.486
   23   2HB   ALA   5          1HB       ALA   5   1.529  -9.314  -8.904
   24   3HB   ALA   5          3HB       ALA   5   2.243  -8.921 -10.483
   25    H    LEU   6           H        LEU   6   1.673  -7.290  -7.089
   26    HA   LEU   6           HA       LEU   6   0.674  -5.075  -8.693
   27   1HB   LEU   6          1HB       LEU   6   0.360  -5.585  -5.709
   28   2HB   LEU   6          2HB       LEU   6  -0.514  -4.409  -6.687
   29    HG   LEU   6           HG       LEU   6  -0.996  -6.797  -8.061
   30   1HD1  LEU   6          2HD1      LEU   6  -0.030  -8.088  -6.158
   31   2HD1  LEU   6          3HD1      LEU   6  -1.185  -7.303  -5.051
   32   3HD1  LEU   6          1HD1      LEU   6  -1.761  -8.378  -6.337
   33   1HD2  LEU   6          1HD2      LEU   6  -2.690  -5.505  -5.879
   34   2HD2  LEU   6          2HD2      LEU   6  -2.666  -5.038  -7.596
   35   3HD2  LEU   6          3HD2      LEU   6  -3.273  -6.633  -7.121
   36    H    TYR   7           H        TYR   7   2.808  -5.477  -5.864
   37    HA   TYR   7           HA       TYR   7   3.258  -2.878  -5.173
   38   1HB   TYR   7          1HB       TYR   7   4.118  -4.878  -3.955
   39   2HB   TYR   7          2HB       TYR   7   5.391  -5.025  -5.157
   40    HD1  TYR   7           HD2      TYR   7   3.885  -2.370  -2.898
   41    HD2  TYR   7           HD1      TYR   7   7.453  -4.008  -4.679
   42    HE1  TYR   7           HE2      TYR   7   5.208  -0.489  -1.989
   43    HE2  TYR   7           HE1      TYR   7   8.788  -2.213  -3.639
   44    HH   TYR   7           HH       TYR   7   8.680  -0.068  -2.744
   45    H    LYS   8           HN       LYS   8   4.905  -4.524  -7.962
   46    HA   LYS   8           HA       LYS   8   6.916  -2.794  -8.531
   47   1HB   LYS   8          1HB       LYS   8   4.910  -4.180 -10.365
   48   2HB   LYS   8          2HB       LYS   8   6.504  -3.595 -10.775
   49   1HG   LYS   8          1HG       LYS   8   5.883  -5.971  -9.009
   50   2HG   LYS   8          2HG       LYS   8   6.571  -5.944 -10.614
   51   1HD   LYS   8          2HD       LYS   8   8.509  -6.218  -9.506
   52   2HD   LYS   8          1HD       LYS   8   8.477  -4.453  -9.440
   53   1HE   LYS   8          1HE       LYS   8   7.491  -4.618  -7.120
   54   2HE   LYS   8          2HE       LYS   8   7.491  -6.382  -7.267
   55   1HZ   LYS   8          3HZ       LYS   8   9.864  -6.305  -7.490
   56   2HZ   LYS   8          1HZ       LYS   8   9.863  -4.670  -7.281
   57   3HZ   LYS   8          2HZ       LYS   8   9.367  -5.664  -6.059
   58    H    SER   9           H        SER   9   3.412  -2.356  -9.085
   59    HA   SER   9           HA       SER   9   3.634  -0.079 -10.814
   60   1HB   SER   9          2HB       SER   9   1.303  -0.566  -8.930
   61   2HB   SER   9          1HB       SER   9   1.302   0.043 -10.593
   62    HG   SER   9           HG       SER   9   1.625  -2.592  -9.611
   63    H    CYS  10           H        CYS  10   3.382  -0.558  -7.323
   64    HA   CYS  10           HA       CYS  10   2.774   2.159  -6.590
   65   1HB   CYS  10          2HB       CYS  10   3.856   0.030  -4.770
   66   2HB   CYS  10          1HB       CYS  10   2.786   1.332  -4.368
   67    H    ILE  11           H        ILE  11   5.660   0.097  -6.798
   68    HA   ILE  11           HA       ILE  11   7.582   1.653  -5.566
   69    HB   ILE  11           HB       ILE  11   7.735   0.034  -8.131
   70   1HG1  ILE  11          2HG1      ILE  11   8.752  -0.397  -5.293
   71   2HG1  ILE  11          1HG1      ILE  11   7.354  -1.185  -6.042
   72   1HG2  ILE  11          3HG2      ILE  11  10.089   1.340  -6.726
   73   2HG2  ILE  11          2HG2      ILE  11  10.200   0.147  -8.034
   74   3HG2  ILE  11          1HG2      ILE  11   9.509   1.713  -8.361
   75   1HD1  ILE  11          1HD1      ILE  11   8.984  -2.169  -7.760
   76   2HD1  ILE  11          2HD1      ILE  11  10.291  -1.612  -6.692
   77   3HD1  ILE  11          3HD1      ILE  11   9.113  -2.780  -6.099
   78    H    GLY  12           H        GLY  12   6.004   2.214  -8.700
   79   1HA   GLY  12          1HA       GLY  12   7.554   4.167  -9.867
   80   2HA   GLY  12          2HA       GLY  12   5.787   4.096  -9.940
   81    H    CYS  13           H        CYS  13   5.480   4.562  -6.916
   82    HA   CYS  13           HA       CYS  13   6.084   7.511  -6.979
   83   1HB   CYS  13          1HB       CYS  13   3.715   6.583  -7.191
   84   2HB   CYS  13          2HB       CYS  13   3.917   6.074  -5.497
   85    H    HIS  14           HN       HIS  14   5.797   4.547  -4.966
   86    HA   HIS  14           HA       HIS  14   6.743   5.766  -2.541
   87   1HB   HIS  14          1HB       HIS  14   6.063   2.989  -3.576
   88   2HB   HIS  14          2HB       HIS  14   6.860   3.185  -2.051
   89    HD1  HIS  14           HD1      HIS  14   5.644   5.008  -0.330
   90    HD2  HIS  14           HD2      HIS  14   3.363   3.448  -3.444
   91    HE1  HIS  14           HE1      HIS  14   3.268   5.084   0.457
   92    H    GLY  15           H        GLY  15   8.390   4.201  -5.204
   93   1HA   GLY  15          2HA       GLY  15  10.695   4.067  -5.541
   94   2HA   GLY  15          1HA       GLY  15  11.014   4.457  -3.840
   95    H    ALA  16           H        ALA  16  12.423   2.388  -4.761
   96    HA   ALA  16           HA       ALA  16  11.263  -0.153  -4.901
   97   1HB   ALA  16          3HB       ALA  16  14.030   0.634  -3.890
   98   2HB   ALA  16          2HB       ALA  16  13.520  -1.006  -4.348
   99   3HB   ALA  16          1HB       ALA  16  13.562   0.283  -5.566
  100    H    ASP  17           HN       ASP  17  13.023   1.048  -1.976
  101    HA   ASP  17           HA       ASP  17  11.575  -0.918  -0.332
  102   1HB   ASP  17          2HB       ASP  17  13.168  -0.464   1.349
  103   2HB   ASP  17          1HB       ASP  17  13.958  -0.838  -0.185
  104    H    GLY  18           H        GLY  18   9.879   0.497  -1.148
  105   1HA   GLY  18          2HA       GLY  18   8.489   2.425  -0.969
  106   2HA   GLY  18          1HA       GLY  18   7.923   1.235   0.205
  107    H    SER  19           H        SER  19  10.170   3.988  -0.114
  108    HA   SER  19           HA       SER  19   9.242   5.052   2.532
  109   1HB   SER  19          1HB       SER  19  11.702   5.603   2.925
  110   2HB   SER  19          2HB       SER  19  11.242   3.894   3.039
  111    HG   SER  19           HG       SER  19  12.159   3.464   1.149
  112    H    LYS  20           HN       LYS  20   9.461   5.880  -0.742
  113    HA   LYS  20           HA       LYS  20  10.592   8.510  -0.429
  114   1HB   LYS  20          2HB       LYS  20   8.660   7.412  -2.490
  115   2HB   LYS  20          1HB       LYS  20   9.460   8.973  -2.614
  116   1HG   LYS  20          1HG       LYS  20  11.016   6.360  -2.394
  117   2HG   LYS  20          2HG       LYS  20  10.463   7.057  -3.927
  118   1HD   LYS  20          2HD       LYS  20  11.766   9.127  -3.460
  119   2HD   LYS  20          1HD       LYS  20  12.303   8.444  -1.917
  120   1HE   LYS  20          2HE       LYS  20  14.057   8.170  -3.575
  121   2HE   LYS  20          1HE       LYS  20  13.431   6.583  -3.101
  122   1HZ   LYS  20          3HZ       LYS  20  12.682   8.065  -5.530
  123   2HZ   LYS  20          2HZ       LYS  20  13.728   6.794  -5.465
  124   3HZ   LYS  20          1HZ       LYS  20  12.136   6.568  -5.110
  125    H    ALA  21           H        ALA  21   9.753  10.183   0.656
  126    HA   ALA  21           HA       ALA  21   6.967  10.321   1.514
  127   1HB   ALA  21          2HB       ALA  21   9.272  12.313   1.670
  128   2HB   ALA  21          1HB       ALA  21   7.688  12.503   2.447
  129   3HB   ALA  21          3HB       ALA  21   8.761  11.176   2.940
  130    H    ALA  22           H        ALA  22   6.433   9.970  -0.835
  131    HA   ALA  22           HA       ALA  22   6.703  11.951  -2.864
  132   1HB   ALA  22          3HB       ALA  22   4.815   9.655  -2.422
  133   2HB   ALA  22          1HB       ALA  22   4.943  10.523  -3.971
  134   3HB   ALA  22          2HB       ALA  22   6.324   9.608  -3.333
  135    H    MET  23           H        MET  23   3.559  11.004  -2.019
  136    HA   MET  23           HA       MET  23   2.477  13.701  -2.273
  137   1HB   MET  23          2HB       MET  23   1.172  11.060  -1.498
  138   2HB   MET  23          1HB       MET  23   0.300  12.572  -1.818
  139   1HG   MET  23          1HG       MET  23   2.075  11.134  -3.828
  140   2HG   MET  23          2HG       MET  23   0.318  11.013  -3.754
  141   1HE   MET  23          2HE       MET  23   0.999  11.475  -6.440
  142   2HE   MET  23          1HE       MET  23   1.497  13.085  -7.007
  143   3HE   MET  23          3HE       MET  23   2.643  12.071  -6.101
  144    H    GLY  24           H        GLY  24   4.041  14.405  -0.570
  145   1HA   GLY  24          2HA       GLY  24   4.113  15.574   1.444
  146   2HA   GLY  24          1HA       GLY  24   2.582  14.836   1.952
  147    H    SER  25           H        SER  25   4.096  14.788   3.976
  148    HA   SER  25           HA       SER  25   6.151  12.872   4.197
  149   1HB   SER  25          1HB       SER  25   4.396  13.976   6.417
  150   2HB   SER  25          2HB       SER  25   6.074  13.400   6.496
  151    HG   SER  25           HG       SER  25   5.961  15.706   6.342
  152    H    ALA  26           H        ALA  26   4.687  11.202   2.972
  153    HA   ALA  26           HA       ALA  26   2.689   9.737   4.394
  154   1HB   ALA  26          2HB       ALA  26   4.608   8.880   2.178
  155   2HB   ALA  26          1HB       ALA  26   3.176   7.973   2.690
  156   3HB   ALA  26          3HB       ALA  26   2.992   9.583   1.958
  157    H    LYS  27           HN       LYS  27   2.878   8.123   5.963
  158    HA   LYS  27           HA       LYS  27   5.262   7.597   7.378
  159   1HB   LYS  27          1HB       LYS  27   2.924   5.694   6.924
  160   2HB   LYS  27          2HB       LYS  27   4.172   5.504   8.140
  161   1HG   LYS  27          1HG       LYS  27   3.493   7.322   9.409
  162   2HG   LYS  27          2HG       LYS  27   2.503   8.026   8.118
  163   1HD   LYS  27          2HD       LYS  27   1.018   5.959   8.247
  164   2HD   LYS  27          1HD       LYS  27   1.951   5.444   9.659
  165   1HE   LYS  27          1HE       LYS  27  -0.089   6.533  10.388
  166   2HE   LYS  27          2HE       LYS  27   1.262   7.611  10.791
  167   1HZ   LYS  27          2HZ       LYS  27  -0.444   7.834   8.397
  168   2HZ   LYS  27          3HZ       LYS  27  -0.616   8.737   9.769
  169   3HZ   LYS  27          1HZ       LYS  27   0.737   8.884   8.842
  170    HA   PRO  28           HA       PRO  28   7.230   5.239   4.094
  171   1HB   PRO  28          1HB       PRO  28   8.780   4.108   6.477
  172   2HB   PRO  28          2HB       PRO  28   9.441   4.569   4.884
  173   1HG   PRO  28          2HG       PRO  28   9.707   6.268   6.982
  174   2HG   PRO  28          1HG       PRO  28   9.170   6.915   5.401
  175   1HD   PRO  28          1HD       PRO  28   7.457   6.233   7.808
  176   2HD   PRO  28          2HD       PRO  28   7.404   7.667   6.734
  177    H    VAL  29           H        VAL  29   6.836   3.230   3.270
  178    HA   VAL  29           HA       VAL  29   4.808   1.633   4.678
  179    HB   VAL  29           HB       VAL  29   6.172   1.218   1.960
  180   1HG1  VAL  29          2HG1      VAL  29   3.450   0.406   3.039
  181   2HG1  VAL  29          3HG1      VAL  29   4.016   0.154   1.377
  182   3HG1  VAL  29          1HG1      VAL  29   4.827  -0.671   2.724
  183   1HG2  VAL  29          2HG2      VAL  29   3.854   3.045   2.680
  184   2HG2  VAL  29          1HG2      VAL  29   5.331   3.459   1.794
  185   3HG2  VAL  29          3HG2      VAL  29   4.112   2.427   1.035
  186    H    LYS  30           HN       LYS  30   8.081   1.480   3.440
  187    HA   LYS  30           HA       LYS  30   9.149  -0.924   3.596
  188   1HB   LYS  30          1HB       LYS  30  10.274   1.240   3.273
  189   2HB   LYS  30          2HB       LYS  30  10.191   1.560   5.004
  190   1HG   LYS  30          2HG       LYS  30  11.581  -0.601   5.310
  191   2HG   LYS  30          1HG       LYS  30  11.706  -0.640   3.548
  192   1HD   LYS  30          2HD       LYS  30  12.890   1.512   3.532
  193   2HD   LYS  30          1HD       LYS  30  12.628   1.694   5.278
  194   1HE   LYS  30          2HE       LYS  30  14.907   0.910   4.891
  195   2HE   LYS  30          1HE       LYS  30  13.972  -0.358   5.705
  196   1HZ   LYS  30          2HZ       LYS  30  13.682  -1.408   3.543
  197   2HZ   LYS  30          1HZ       LYS  30  14.593  -0.219   2.843
  198   3HZ   LYS  30          3HZ       LYS  30  15.272  -1.246   3.939
  199    H    GLY  31           H        GLY  31   8.168  -2.464   4.927
  200   1HA   GLY  31          1HA       GLY  31   7.857  -3.714   6.796
  201   2HA   GLY  31          2HA       GLY  31   9.331  -2.951   7.349
  202    H    GLN  32           H        GLN  32   6.188  -1.196   7.006
  203    HA   GLN  32           HA       GLN  32   6.229  -0.281   9.687
  204   1HB   GLN  32          1HB       GLN  32   3.533  -1.033   8.493
  205   2HB   GLN  32          2HB       GLN  32   3.939   0.223   9.657
  206   1HG   GLN  32          2HG       GLN  32   5.314   1.283   7.801
  207   2HG   GLN  32          1HG       GLN  32   4.514   0.132   6.708
  208   1HE2  GLN  32          1HE2      GLN  32   2.629   3.385   6.660
  209   2HE2  GLN  32          2HE2      GLN  32   4.369   3.115   6.713
  210    H    GLY  33           H        GLY  33   4.480  -2.878   8.455
  211   1HA   GLY  33          2HA       GLY  33   5.392  -5.128   9.813
  212   2HA   GLY  33          1HA       GLY  33   4.180  -4.454  10.924
  213    H    ALA  34           H        ALA  34   4.355  -6.884   8.800
  214    HA   ALA  34           HA       ALA  34   2.505  -6.738   6.873
  215   1HB   ALA  34          1HB       ALA  34   3.699  -8.823   7.439
  216   2HB   ALA  34          2HB       ALA  34   2.630  -9.054   8.841
  217   3HB   ALA  34          3HB       ALA  34   1.969  -9.094   7.193
  218    H    GLU  35           HN       GLU  35   1.494  -7.032  10.349
  219    HA   GLU  35           HA       GLU  35  -1.257  -7.257   9.810
  220   1HB   GLU  35          1HB       GLU  35   0.203  -6.064  12.229
  221   2HB   GLU  35          2HB       GLU  35  -1.409  -6.753  12.143
  222   1HG   GLU  35          1HG       GLU  35   1.216  -8.267  11.918
  223   2HG   GLU  35          2HG       GLU  35   0.001  -8.380  13.184
  224    H    GLU  36           HN       GLU  36   0.860  -4.470  10.501
  225    HA   GLU  36           HA       GLU  36  -1.116  -2.404  10.580
  226   1HB   GLU  36          1HB       GLU  36   1.875  -2.469   9.893
  227   2HB   GLU  36          2HB       GLU  36   0.983  -0.989   9.948
  228   1HG   GLU  36          2HG       GLU  36   1.202  -2.947  12.292
  229   2HG   GLU  36          1HG       GLU  36   2.291  -1.584  12.011
  230    H    LEU  37           H        LEU  37   1.120  -3.485   8.067
  231    HA   LEU  37           HA       LEU  37   0.216  -1.857   5.953
  232   1HB   LEU  37          1HB       LEU  37   1.586  -4.580   6.065
  233   2HB   LEU  37          2HB       LEU  37   1.335  -3.707   4.554
  234    HG   LEU  37           HG       LEU  37   2.797  -2.384   6.884
  235   1HD1  LEU  37          1HD2      LEU  37   3.971  -4.170   4.731
  236   2HD1  LEU  37          3HD2      LEU  37   4.918  -3.124   5.812
  237   3HD1  LEU  37          2HD2      LEU  37   3.987  -4.480   6.470
  238   1HD2  LEU  37          3HD1      LEU  37   2.834  -2.003   3.868
  239   2HD2  LEU  37          1HD1      LEU  37   2.090  -0.911   5.064
  240   3HD2  LEU  37          2HD1      LEU  37   3.842  -1.128   5.017
  241    H    TYR  38           HN       TYR  38  -0.747  -5.235   6.793
  242    HA   TYR  38           HA       TYR  38  -2.540  -5.539   4.636
  243   1HB   TYR  38          2HB       TYR  38  -1.832  -7.454   5.927
  244   2HB   TYR  38          1HB       TYR  38  -2.541  -6.777   7.394
  245    HD1  TYR  38           HD1      TYR  38  -3.756  -7.391   3.851
  246    HD2  TYR  38           HE2      TYR  38  -4.483  -7.877   8.078
  247    HE1  TYR  38           HD2      TYR  38  -5.954  -8.405   3.359
  248    HE2  TYR  38           HE1      TYR  38  -6.657  -8.946   7.572
  249    HH   TYR  38           HH       TYR  38  -7.775  -9.569   4.249
  250    H    LYS  39           HN       LYS  39  -3.183  -4.423   7.962
  251    HA   LYS  39           HA       LYS  39  -5.955  -4.065   7.505
  252   1HB   LYS  39          2HB       LYS  39  -4.586  -4.075   9.735
  253   2HB   LYS  39          1HB       LYS  39  -4.174  -2.415   9.401
  254   1HG   LYS  39          1HG       LYS  39  -5.964  -2.387  10.943
  255   2HG   LYS  39          2HG       LYS  39  -6.618  -1.811   9.403
  256   1HD   LYS  39          1HD       LYS  39  -7.602  -4.063   8.978
  257   2HD   LYS  39          2HD       LYS  39  -6.912  -4.660  10.495
  258   1HE   LYS  39          2HE       LYS  39  -8.967  -2.408  10.214
  259   2HE   LYS  39          1HE       LYS  39  -9.328  -4.081  10.668
  260   1HZ   LYS  39          3HZ       LYS  39  -7.942  -3.793  12.599
  261   2HZ   LYS  39          2HZ       LYS  39  -7.655  -2.219  12.199
  262   3HZ   LYS  39          1HZ       LYS  39  -9.180  -2.707  12.577
  263    H    LYS  40           HN       LYS  40  -3.294  -1.649   7.374
  264    HA   LYS  40           HA       LYS  40  -4.948   0.573   6.652
  265   1HB   LYS  40          1HB       LYS  40  -1.993  -0.191   6.324
  266   2HB   LYS  40          2HB       LYS  40  -2.629   1.398   6.003
  267   1HG   LYS  40          2HG       LYS  40  -3.357   1.669   8.345
  268   2HG   LYS  40          1HG       LYS  40  -2.868   0.018   8.715
  269   1HD   LYS  40          1HD       LYS  40  -0.511   0.632   7.973
  270   2HD   LYS  40          2HD       LYS  40  -1.056   2.321   7.908
  271   1HE   LYS  40          2HE       LYS  40  -1.657   2.200  10.324
  272   2HE   LYS  40          1HE       LYS  40  -1.109   0.512  10.356
  273   1HZ   LYS  40          1HZ       LYS  40   1.062   1.376   9.585
  274   2HZ   LYS  40          2HZ       LYS  40   0.516   2.901   9.864
  275   3HZ   LYS  40          3HZ       LYS  40   0.632   1.825  11.118
  276    H    MET  41           H        MET  41  -3.123  -1.861   4.642
  277    HA   MET  41           HA       MET  41  -3.800  -0.466   2.233
  278   1HB   MET  41          1HB       MET  41  -2.838  -2.037   1.033
  279   2HB   MET  41          2HB       MET  41  -1.825  -1.952   2.491
  280   1HG   MET  41          1HG       MET  41  -1.832  -4.313   2.062
  281   2HG   MET  41          2HG       MET  41  -3.322  -4.150   3.044
  282   1HE   MET  41          1HE       MET  41  -1.551  -3.818  -0.199
  283   2HE   MET  41          3HE       MET  41  -2.573  -4.689  -1.378
  284   3HE   MET  41          2HE       MET  41  -2.867  -2.982  -1.017
  285    H    LYS  42           HN       LYS  42  -5.336  -3.268   3.918
  286    HA   LYS  42           HA       LYS  42  -7.568  -3.510   2.225
  287   1HB   LYS  42          1HB       LYS  42  -6.900  -4.929   4.287
  288   2HB   LYS  42          2HB       LYS  42  -7.662  -3.691   5.270
  289   1HG   LYS  42          2HG       LYS  42  -9.823  -4.106   4.381
  290   2HG   LYS  42          1HG       LYS  42  -9.187  -4.934   2.957
  291   1HD   LYS  42          1HD       LYS  42 -10.209  -6.521   4.504
  292   2HD   LYS  42          2HD       LYS  42  -8.491  -6.853   4.249
  293   1HE   LYS  42          2HE       LYS  42  -7.921  -5.858   6.416
  294   2HE   LYS  42          1HE       LYS  42  -9.604  -5.343   6.661
  295   1HZ   LYS  42          2HZ       LYS  42  -8.707  -8.130   6.396
  296   2HZ   LYS  42          1HZ       LYS  42  -9.055  -7.373   7.821
  297   3HZ   LYS  42          3HZ       LYS  42 -10.243  -7.626   6.708
  298    H    GLY  43           H        GLY  43  -6.860  -1.280   4.837
  299   1HA   GLY  43          1HA       GLY  43  -9.044   0.338   5.285
  300   2HA   GLY  43          2HA       GLY  43  -7.386   0.835   5.157
  301    H    TYR  44           H        TYR  44  -6.455   0.974   2.989
  302    HA   TYR  44           HA       TYR  44  -7.800   2.963   1.440
  303   1HB   TYR  44          1HB       TYR  44  -5.415   1.194   0.778
  304   2HB   TYR  44          2HB       TYR  44  -5.931   2.564  -0.215
  305    HD1  TYR  44           HD1      TYR  44  -6.468   4.702   1.712
  306    HD2  TYR  44           HD2      TYR  44  -3.243   1.854   1.484
  307    HE1  TYR  44           HE1      TYR  44  -5.108   6.094   3.244
  308    HE2  TYR  44           HE2      TYR  44  -1.775   3.474   2.661
  309    HH   TYR  44           HH       TYR  44  -1.827   5.271   4.219
  310    H    ALA  45           H        ALA  45  -7.502  -0.567   0.925
  311    HA   ALA  45           HA       ALA  45  -8.718  -0.706  -1.608
  312   1HB   ALA  45          2HB       ALA  45  -7.618  -2.592  -0.230
  313   2HB   ALA  45          3HB       ALA  45  -9.195  -2.780   0.552
  314   3HB   ALA  45          1HB       ALA  45  -9.053  -3.000  -1.195
  315    H    ASP  46           HN       ASP  46 -10.213  -0.570   1.645
  316    HA   ASP  46           HA       ASP  46 -12.928  -0.827   0.618
  317   1HB   ASP  46          1HB       ASP  46 -12.382  -1.547   2.873
  318   2HB   ASP  46          2HB       ASP  46 -11.788   0.064   3.299
  319    H    GLY  47           H        GLY  47 -10.802   1.821   1.716
  320   1HA   GLY  47          1HA       GLY  47 -10.750   3.922   0.596
  321   2HA   GLY  47          2HA       GLY  47 -12.480   3.827   0.251
  322    H    SER  48           H        SER  48 -12.173   2.685   3.377
  323    HA   SER  48           HA       SER  48 -13.236   5.121   4.554
  324   1HB   SER  48          1HB       SER  48 -12.905   3.651   6.673
  325   2HB   SER  48          2HB       SER  48 -14.060   3.095   5.449
  326    HG   SER  48           HG       SER  48 -12.830   1.466   4.992
  327    H    TYR  49           H        TYR  49 -10.318   3.163   5.071
  328    HA   TYR  49           HA       TYR  49  -8.955   4.976   6.777
  329   1HB   TYR  49          2HB       TYR  49  -8.292   2.510   6.412
  330   2HB   TYR  49          1HB       TYR  49  -7.801   3.022   4.797
  331    HD1  TYR  49           HD2      TYR  49  -7.242   4.113   8.356
  332    HD2  TYR  49           HD1      TYR  49  -5.536   3.084   4.539
  333    HE1  TYR  49           HE2      TYR  49  -4.991   4.562   9.240
  334    HE2  TYR  49           HE1      TYR  49  -3.308   3.482   5.411
  335    HH   TYR  49           HH       TYR  49  -2.079   4.534   7.153
  336    H    GLY  50           H        GLY  50  -8.661   7.128   6.106
  337   1HA   GLY  50          2HA       GLY  50  -7.432   8.798   4.996
  338   2HA   GLY  50          1HA       GLY  50  -6.722   7.592   3.982
  339    H    GLY  51           H        GLY  51  -8.089   6.669   2.450
  340   1HA   GLY  51          1HA       GLY  51  -9.363   6.648   0.526
  341   2HA   GLY  51          2HA       GLY  51 -10.524   7.631   1.417
  342    H    GLU  52           HN       GLU  52  -9.700  10.010   1.634
  343    HA   GLU  52           HA       GLU  52 -10.258  11.229  -0.775
  344   1HB   GLU  52          2HB       GLU  52 -10.636  12.154   1.466
  345   2HB   GLU  52          1HB       GLU  52  -8.914  12.464   1.665
  346   1HG   GLU  52          2HG       GLU  52  -9.056  14.020  -0.359
  347   2HG   GLU  52          1HG       GLU  52 -10.793  13.693  -0.414
  348    H    ARG  53           HN       ARG  53  -7.193  12.519   0.574
  349    HA   ARG  53           HA       ARG  53  -6.148  13.048  -1.944
  350   1HB   ARG  53          1HB       ARG  53  -4.223  13.703  -0.772
  351   2HB   ARG  53          2HB       ARG  53  -5.582  14.076   0.277
  352   1HG   ARG  53          1HG       ARG  53  -5.074  11.875   1.519
  353   2HG   ARG  53          2HG       ARG  53  -3.611  11.761   0.527
  354   1HD   ARG  53          1HD       ARG  53  -3.267  14.293   1.416
  355   2HD   ARG  53          2HD       ARG  53  -4.318  13.725   2.705
  356    HE   ARG  53           HE       ARG  53  -2.557  12.511   3.561
  357   1HH1  ARG  53          1HH2      ARG  53  -1.881  13.200   0.142
  358   2HH1  ARG  53          2HH2      ARG  53  -0.168  12.838   0.307
  359   1HH2  ARG  53          1HH1      ARG  53  -0.261  12.002   3.682
  360   2HH2  ARG  53          2HH1      ARG  53   0.705  12.189   2.223
  361    H    LYS  54           HN       LYS  54  -6.181  10.149  -0.175
  362    HA   LYS  54           HA       LYS  54  -3.959   8.635  -1.198
  363   1HB   LYS  54          2HB       LYS  54  -6.592   7.702  -0.073
  364   2HB   LYS  54          1HB       LYS  54  -5.058   6.846  -0.105
  365   1HG   LYS  54          1HG       LYS  54  -5.716   9.383   1.517
  366   2HG   LYS  54          2HG       LYS  54  -5.597   7.754   2.080
  367   1HD   LYS  54          2HD       LYS  54  -3.166   7.696   1.539
  368   2HD   LYS  54          1HD       LYS  54  -3.282   9.316   0.842
  369   1HE   LYS  54          2HE       LYS  54  -2.354   9.568   3.018
  370   2HE   LYS  54          1HE       LYS  54  -3.996  10.208   3.081
  371   1HZ   LYS  54          2HZ       LYS  54  -3.176   7.525   3.977
  372   2HZ   LYS  54          3HZ       LYS  54  -3.436   8.821   4.960
  373   3HZ   LYS  54          1HZ       LYS  54  -4.686   8.170   4.108
  374    H    ALA  55           H        ALA  55  -7.181   9.458  -2.397
  375    HA   ALA  55           HA       ALA  55  -8.343   7.974  -3.958
  376   1HB   ALA  55          3HB       ALA  55  -6.996  10.446  -5.098
  377   2HB   ALA  55          2HB       ALA  55  -8.311   9.569  -5.912
  378   3HB   ALA  55          1HB       ALA  55  -8.601  10.320  -4.343
  379    H    MET  56           H        MET  56  -5.253   8.933  -5.535
  380    HA   MET  56           HA       MET  56  -5.395   7.177  -7.701
  381   1HB   MET  56          2HB       MET  56  -2.978   7.502  -7.891
  382   2HB   MET  56          1HB       MET  56  -3.806   9.007  -7.494
  383   1HG   MET  56          1HG       MET  56  -3.128   8.506  -5.016
  384   2HG   MET  56          2HG       MET  56  -2.040   7.301  -5.718
  385   1HE   MET  56          1HE       MET  56  -3.074  11.061  -6.532
  386   2HE   MET  56          2HE       MET  56  -2.668  10.954  -4.800
  387   3HE   MET  56          3HE       MET  56  -1.616  11.861  -5.908
  388    H    MET  57           H        MET  57  -3.980   6.621  -4.509
  389    HA   MET  57           HA       MET  57  -3.098   3.905  -4.937
  390   1HB   MET  57          1HB       MET  57  -2.092   5.457  -3.271
  391   2HB   MET  57          2HB       MET  57  -3.627   5.538  -2.414
  392   1HG   MET  57          1HG       MET  57  -3.568   3.251  -1.780
  393   2HG   MET  57          2HG       MET  57  -2.168   2.923  -2.804
  394   1HE   MET  57          1HE       MET  57  -3.408   5.313   0.084
  395   2HE   MET  57          2HE       MET  57  -1.881   5.720   0.904
  396   3HE   MET  57          3HE       MET  57  -2.211   6.376  -0.708
  397    H    THR  58           H        THR  58  -5.851   5.547  -3.225
  398    HA   THR  58           HA       THR  58  -7.187   3.377  -2.223
  399    HB   THR  58           HB       THR  58  -8.644   5.680  -3.569
  400    HG1  THR  58           HG1      THR  58  -8.102   6.910  -1.748
  401   1HG2  THR  58          1HG2      THR  58  -9.957   3.879  -2.368
  402   2HG2  THR  58          2HG2      THR  58  -9.068   4.324  -0.894
  403   3HG2  THR  58          3HG2      THR  58 -10.141   5.504  -1.673
  404    H    ASN  59           H        ASN  59  -7.727   4.779  -5.492
  405    HA   ASN  59           HA       ASN  59  -9.577   2.813  -6.378
  406   1HB   ASN  59          2HB       ASN  59  -9.194   5.067  -7.387
  407   2HB   ASN  59          1HB       ASN  59  -7.657   4.495  -8.039
  408   1HD2  ASN  59          1HD2      ASN  59 -10.076   2.149 -10.069
  409   2HD2  ASN  59          2HD2      ASN  59  -9.349   1.670  -8.547
  410    H    ALA  60           H        ALA  60  -5.968   3.057  -6.714
  411    HA   ALA  60           HA       ALA  60  -5.689   0.834  -8.443
  412   1HB   ALA  60          1HB       ALA  60  -3.900   2.453  -8.051
  413   2HB   ALA  60          2HB       ALA  60  -3.742   1.916  -6.369
  414   3HB   ALA  60          3HB       ALA  60  -3.348   0.805  -7.699
  415    H    VAL  61           H        VAL  61  -5.350   0.923  -4.829
  416    HA   VAL  61           HA       VAL  61  -5.080  -1.938  -4.721
  417    HB   VAL  61           HB       VAL  61  -4.115  -0.571  -2.998
  418   1HG1  VAL  61          3HG1      VAL  61  -6.944   0.343  -2.451
  419   2HG1  VAL  61          1HG1      VAL  61  -5.769   0.196  -1.140
  420   3HG1  VAL  61          2HG1      VAL  61  -5.434   1.263  -2.490
  421   1HG2  VAL  61          1HG2      VAL  61  -4.677  -2.899  -2.532
  422   2HG2  VAL  61          3HG2      VAL  61  -4.843  -1.903  -1.066
  423   3HG2  VAL  61          2HG2      VAL  61  -6.279  -2.427  -1.949
  424    H    LYS  62           HN       LYS  62  -7.976   0.201  -4.583
  425    HA   LYS  62           HA       LYS  62  -9.790  -1.725  -3.635
  426   1HB   LYS  62          2HB       LYS  62 -10.277   0.657  -3.871
  427   2HB   LYS  62          1HB       LYS  62 -10.254   0.514  -5.639
  428   1HG   LYS  62          2HG       LYS  62 -12.187  -0.978  -5.571
  429   2HG   LYS  62          1HG       LYS  62 -12.190  -0.985  -3.806
  430   1HD   LYS  62          2HD       LYS  62 -12.392   1.679  -5.244
  431   2HD   LYS  62          1HD       LYS  62 -13.779   0.590  -5.290
  432   1HE   LYS  62          2HE       LYS  62 -14.080   2.126  -3.456
  433   2HE   LYS  62          1HE       LYS  62 -13.863   0.487  -2.826
  434   1HZ   LYS  62          1HZ       LYS  62 -11.777   2.553  -2.923
  435   2HZ   LYS  62          3HZ       LYS  62 -12.650   2.096  -1.592
  436   3HZ   LYS  62          2HZ       LYS  62 -11.625   1.027  -2.302
  437    H    LYS  63           HN       LYS  63  -8.163  -1.582  -6.803
  438    HA   LYS  63           HA       LYS  63 -10.084  -3.341  -8.064
  439   1HB   LYS  63          1HB       LYS  63  -7.780  -1.683  -8.810
  440   2HB   LYS  63          2HB       LYS  63  -7.688  -3.274  -9.514
  441   1HG   LYS  63          2HG       LYS  63  -8.875  -1.719 -10.985
  442   2HG   LYS  63          1HG       LYS  63  -9.982  -2.996 -10.453
  443   1HD   LYS  63          1HD       LYS  63 -10.971  -1.470  -8.761
  444   2HD   LYS  63          2HD       LYS  63  -9.750  -0.256  -9.134
  445   1HE   LYS  63          1HE       LYS  63 -10.671   0.013 -11.410
  446   2HE   LYS  63          2HE       LYS  63 -11.805  -1.322 -11.133
  447   1HZ   LYS  63          3HZ       LYS  63 -11.796   1.197  -9.623
  448   2HZ   LYS  63          2HZ       LYS  63 -12.828   0.815 -10.851
  449   3HZ   LYS  63          1HZ       LYS  63 -12.860  -0.046  -9.449
  450    H    ALA  64           H        ALA  64  -7.655  -3.918  -5.735
  451    HA   ALA  64           HA       ALA  64  -6.886  -6.588  -6.786
  452   1HB   ALA  64          3HB       ALA  64  -5.166  -5.015  -5.927
  453   2HB   ALA  64          2HB       ALA  64  -5.952  -5.044  -4.339
  454   3HB   ALA  64          1HB       ALA  64  -5.241  -6.526  -5.009
  455    H    SER  65           H        SER  65  -6.841  -8.322  -4.939
  456    HA   SER  65           HA       SER  65  -9.444  -8.278  -3.459
  457   1HB   SER  65          1HB       SER  65  -9.571 -10.711  -3.987
  458   2HB   SER  65          2HB       SER  65  -9.659  -9.666  -5.416
  459    HG   SER  65           HG       SER  65  -8.199 -11.349  -5.792
  460    H    ASP  66           HN       ASP  66  -9.471  -9.917  -1.661
  461    HA   ASP  66           HA       ASP  66  -7.739  -9.241   0.300
  462   1HB   ASP  66          2HB       ASP  66  -9.838 -10.456   0.671
  463   2HB   ASP  66          1HB       ASP  66  -9.095 -11.947   0.062
  464    H    GLU  67           HN       GLU  67  -7.199 -12.196  -1.800
  465    HA   GLU  67           HA       GLU  67  -4.953 -13.133  -0.488
  466   1HB   GLU  67          1HB       GLU  67  -5.592 -13.243  -3.474
  467   2HB   GLU  67          2HB       GLU  67  -4.690 -14.362  -2.465
  468   1HG   GLU  67          1HG       GLU  67  -7.682 -13.978  -2.534
  469   2HG   GLU  67          2HG       GLU  67  -6.746 -15.437  -2.827
  470    H    GLU  68           HN       GLU  68  -5.273 -10.832  -3.144
  471    HA   GLU  68           HA       GLU  68  -2.484 -10.380  -3.633
  472   1HB   GLU  68          1HB       GLU  68  -4.770  -8.433  -3.938
  473   2HB   GLU  68          2HB       GLU  68  -3.280  -8.363  -4.799
  474   1HG   GLU  68          2HG       GLU  68  -5.433 -10.493  -5.158
  475   2HG   GLU  68          1HG       GLU  68  -5.185  -9.096  -6.194
  476    H    LEU  69           H        LEU  69  -4.980  -8.769  -1.593
  477    HA   LEU  69           HA       LEU  69  -3.378  -6.700  -0.657
  478   1HB   LEU  69          1HB       LEU  69  -5.642  -8.162   0.805
  479   2HB   LEU  69          2HB       LEU  69  -4.942  -6.690   1.357
  480    HG   LEU  69           HG       LEU  69  -7.029  -7.193  -0.609
  481   1HD1  LEU  69          3HD1      LEU  69  -7.039  -5.760   1.549
  482   2HD1  LEU  69          1HD1      LEU  69  -6.272  -4.502   0.572
  483   3HD1  LEU  69          2HD1      LEU  69  -7.850  -5.098   0.110
  484   1HD2  LEU  69          1HD2      LEU  69  -5.037  -5.069  -1.472
  485   2HD2  LEU  69          2HD2      LEU  69  -5.447  -6.549  -2.352
  486   3HD2  LEU  69          3HD2      LEU  69  -6.673  -5.298  -2.079
  487    H    LYS  70           HN       LYS  70  -4.038  -9.814   0.965
  488    HA   LYS  70           HA       LYS  70  -2.387  -9.444   3.234
  489   1HB   LYS  70          2HB       LYS  70  -3.154 -11.945   1.681
  490   2HB   LYS  70          1HB       LYS  70  -2.316 -11.981   3.243
  491   1HG   LYS  70          2HG       LYS  70  -4.168 -10.786   4.322
  492   2HG   LYS  70          1HG       LYS  70  -5.052 -10.707   2.795
  493   1HD   LYS  70          2HD       LYS  70  -4.327 -13.240   4.337
  494   2HD   LYS  70          1HD       LYS  70  -5.925 -12.484   4.201
  495   1HE   LYS  70          2HE       LYS  70  -5.727 -12.812   1.666
  496   2HE   LYS  70          1HE       LYS  70  -4.332 -13.861   1.993
  497   1HZ   LYS  70          2HZ       LYS  70  -5.809 -15.194   3.362
  498   2HZ   LYS  70          1HZ       LYS  70  -7.079 -14.220   2.938
  499   3HZ   LYS  70          3HZ       LYS  70  -6.305 -15.110   1.789
  500    H    ALA  71           H        ALA  71  -1.675 -10.851   0.008
  501    HA   ALA  71           HA       ALA  71   1.058 -11.382   0.606
  502   1HB   ALA  71          3HB       ALA  71  -0.418 -10.978  -2.017
  503   2HB   ALA  71          2HB       ALA  71   1.236 -11.636  -1.881
  504   3HB   ALA  71          1HB       ALA  71  -0.145 -12.517  -1.185
  505    H    LEU  72           H        LEU  72  -0.512  -8.286  -0.514
  506    HA   LEU  72           HA       LEU  72   1.989  -7.216  -1.463
  507   1HB   LEU  72          2HB       LEU  72  -0.751  -6.597  -1.620
  508   2HB   LEU  72          1HB       LEU  72  -0.132  -5.394  -0.538
  509    HG   LEU  72           HG       LEU  72   0.953  -6.091  -3.321
  510   1HD1  LEU  72          2HD2      LEU  72  -1.338  -5.209  -3.472
  511   2HD1  LEU  72          3HD2      LEU  72  -0.838  -3.782  -2.534
  512   3HD1  LEU  72          1HD2      LEU  72  -0.160  -4.059  -4.134
  513   1HD2  LEU  72          3HD1      LEU  72   2.663  -4.961  -1.941
  514   2HD2  LEU  72          1HD1      LEU  72   2.096  -3.951  -3.289
  515   3HD2  LEU  72          2HD1      LEU  72   1.509  -3.633  -1.655
  516    H    ALA  73           H        ALA  73  -0.067  -7.000   1.478
  517    HA   ALA  73           HA       ALA  73   1.624  -5.426   3.063
  518   1HB   ALA  73          2HB       ALA  73  -0.654  -6.048   3.658
  519   2HB   ALA  73          3HB       ALA  73  -0.176  -7.739   3.913
  520   3HB   ALA  73          1HB       ALA  73   0.473  -6.471   4.969
  521    H    ASP  74           HN       ASP  74   1.600  -9.051   2.788
  522    HA   ASP  74           HA       ASP  74   3.745  -9.557   4.490
  523   1HB   ASP  74          2HB       ASP  74   2.367 -11.329   3.504
  524   2HB   ASP  74          1HB       ASP  74   3.036 -10.987   1.898
  525    H    TYR  75           H        TYR  75   3.922  -8.906   0.929
  526    HA   TYR  75           HA       TYR  75   6.723  -9.024   0.687
  527   1HB   TYR  75          2HB       TYR  75   5.139  -8.923  -1.195
  528   2HB   TYR  75          1HB       TYR  75   4.753  -7.252  -0.822
  529    HD1  TYR  75           HD2      TYR  75   6.563  -5.457  -1.042
  530    HD2  TYR  75           HD1      TYR  75   7.078  -9.483  -2.505
  531    HE1  TYR  75           HE2      TYR  75   8.512  -4.736  -2.365
  532    HE2  TYR  75           HE1      TYR  75   8.859  -8.682  -4.040
  533    HH   TYR  75           HH       TYR  75  10.092  -5.340  -3.918
  534    H    MET  76           H        MET  76   4.746  -6.012   1.074
  535    HA   MET  76           HA       MET  76   6.845  -4.241   1.544
  536   1HB   MET  76          1HB       MET  76   3.941  -4.276   2.495
  537   2HB   MET  76          2HB       MET  76   5.015  -2.866   2.524
  538   1HG   MET  76          2HG       MET  76   5.366  -3.281   0.029
  539   2HG   MET  76          1HG       MET  76   4.076  -4.421   0.054
  540   1HE   MET  76          2HE       MET  76   1.628  -4.013   0.597
  541   2HE   MET  76          3HE       MET  76   1.892  -3.073   2.073
  542   3HE   MET  76          1HE       MET  76   0.875  -2.421   0.767
  543    H    SER  77           H        SER  77   5.400  -6.507   3.823
  544    HA   SER  77           HA       SER  77   6.549  -5.280   6.161
  545   1HB   SER  77          1HB       SER  77   4.597  -6.833   6.140
  546   2HB   SER  77          2HB       SER  77   5.724  -8.170   5.852
  547    HG   SER  77           HG       SER  77   6.870  -7.312   7.766
  548    H    LYS  78           HN       LYS  78   8.147  -6.828   3.559
  549    HA   LYS  78           HA       LYS  78  10.481  -7.583   5.240
  550   1HB   LYS  78          2HB       LYS  78   9.282  -9.153   2.905
  551   2HB   LYS  78          1HB       LYS  78  10.761  -9.560   3.778
  552   1HG   LYS  78          1HG       LYS  78   7.938  -9.565   4.949
  553   2HG   LYS  78          2HG       LYS  78   8.808 -10.977   4.359
  554   1HD   LYS  78          2HD       LYS  78  10.574 -10.656   6.062
  555   2HD   LYS  78          1HD       LYS  78   9.730  -9.225   6.685
  556   1HE   LYS  78          2HE       LYS  78   7.738 -10.612   7.208
  557   2HE   LYS  78          1HE       LYS  78   8.586 -12.054   6.615
  558   1HZ   LYS  78          3HZ       LYS  78   9.430 -10.370   8.869
  559   2HZ   LYS  78          2HZ       LYS  78   8.716 -11.851   8.980
  560   3HZ   LYS  78          1HZ       LYS  78  10.221 -11.710   8.324
  561    H    LEU  79           H        LEU  79  10.233  -5.058   4.237
  562    HA   LEU  79           HA       LEU  79  11.851  -4.954   1.817
  563   1HB   LEU  79          2HB       LEU  79   9.396  -5.088   1.210
  564   2HB   LEU  79          1HB       LEU  79   9.087  -3.812   2.405
  565    HG   LEU  79           HG       LEU  79  10.509  -2.309   1.162
  566   1HD1  LEU  79          1HD1      LEU  79  10.483  -4.615  -0.854
  567   2HD1  LEU  79          2HD1      LEU  79  10.906  -2.960  -1.330
  568   3HD1  LEU  79          3HD1      LEU  79  11.909  -3.826  -0.153
  569   1HD2  LEU  79          2HD2      LEU  79   8.076  -2.256   0.948
  570   2HD2  LEU  79          1HD2      LEU  79   8.818  -1.861  -0.611
  571   3HD2  LEU  79          3HD2      LEU  79   8.133  -3.481  -0.339
  572    HHA  HEC   1           HHA      HEM   1   1.675   5.004   3.289
  573    HHB  HEC   1           HHB      HEM   1   0.177  -0.198  -0.111
  574    HHC  HEC   1           HHC      HEM   1   0.746   3.277  -5.441
  575    HHD  HEC   1           HHD      HEM   1   1.112   8.534  -1.854
  576   1HMA  HEC   1          1HMA      HEM   1   0.339  -0.115   3.657
  577   2HMA  HEC   1          2HMA      HEM   1   1.487  -0.719   2.436
  578   3HMA  HEC   1          3HMA      HEM   1  -0.243  -0.573   2.057
  579   1HAA  HEC   1          1HAA      HEM   1   2.025   1.496   4.542
  580   2HAA  HEC   1          2HAA      HEM   1   2.097   3.238   4.530
  581   1HBA  HEC   1          1HBA      HEM   1   0.248   1.599   5.884
  582   2HBA  HEC   1          2HBA      HEM   1  -0.688   2.182   4.514
  583   1HMB  HEC   1          1HMB      HEM   1  -0.177  -1.677  -3.517
  584   2HMB  HEC   1          2HMB      HEM   1  -1.208  -1.268  -2.132
  585   3HMB  HEC   1          3HMB      HEM   1   0.536  -1.568  -1.915
  586    HAB  HEC   1           HAB      HEM   1   0.430   1.283  -6.052
  587   1HBB  HEC   1          1HBB      HEM   1  -1.054  -0.410  -6.825
  588   2HBB  HEC   1          2HBB      HEM   1  -1.924   0.618  -5.662
  589   3HBB  HEC   1          3HBB      HEM   1  -1.377  -0.995  -5.188
  590   1HMC  HEC   1          1HMC      HEM   1   1.421   6.812  -6.766
  591   2HMC  HEC   1          2HMC      HEM   1   0.281   5.469  -6.703
  592   3HMC  HEC   1          3HMC      HEM   1   2.019   5.128  -6.644
  593    HAC  HEC   1           HAC      HEM   1   2.425   8.809  -3.778
  594   1HBC  HEC   1          1HBC      HEM   1   4.008   6.325  -3.229
  595   2HBC  HEC   1          2HBC      HEM   1   4.874   7.813  -3.470
  596   3HBC  HEC   1          3HBC      HEM   1   3.676   7.685  -2.161
  597   1HMD  HEC   1          1HMD      HEM   1   1.054  10.043   0.645
  598   2HMD  HEC   1          2HMD      HEM   1  -0.408   9.608  -0.276
  599   3HMD  HEC   1          3HMD      HEM   1  -0.484   9.748   1.479
  600   1HAD  HEC   1          1HAD      HEM   1  -0.855   7.701   3.412
  601   2HAD  HEC   1          2HAD      HEM   1   0.545   8.775   3.380
  602   1HBD  HEC   1          1HBD      HEM   1   1.876   6.914   4.497
  603   2HBD  HEC   1          2HBD      HEM   1   0.358   6.022   4.610
   
  No H/Q in entry =         603
  Start of MODEL   38
    1   1H    ALA   1          2H        ALA   1   4.326 -12.510  -8.712
    2   2H    ALA   1          1H        ALA   1   4.313 -13.936  -9.576
    3   3H    ALA   1          3H        ALA   1   3.178 -12.754  -9.844
    4    HA   ALA   1           HA       ALA   1   2.105 -14.380  -8.574
    5   1HB   ALA   1          3HB       ALA   1   4.144 -15.459  -7.664
    6   2HB   ALA   1          2HB       ALA   1   4.431 -14.045  -6.624
    7   3HB   ALA   1          1HB       ALA   1   2.997 -15.060  -6.374
    8    H    ASP   2           HN       ASP   2   0.830 -13.866  -6.512
    9    HA   ASP   2           HA       ASP   2  -0.061 -11.225  -6.473
   10   1HB   ASP   2          1HB       ASP   2  -0.195 -13.313  -4.251
   11   2HB   ASP   2          2HB       ASP   2  -1.190 -11.858  -4.358
   12    H    GLY   3           H        GLY   3   0.172  -9.535  -4.898
   13   1HA   GLY   3          1HA       GLY   3   1.231  -8.246  -3.302
   14   2HA   GLY   3          2HA       GLY   3   2.274  -9.606  -2.878
   15    H    ALA   4           H        ALA   4   3.671 -10.316  -4.786
   16    HA   ALA   4           HA       ALA   4   5.617  -8.278  -5.181
   17   1HB   ALA   4          2HB       ALA   4   6.183 -10.683  -5.040
   18   2HB   ALA   4          1HB       ALA   4   5.347 -10.980  -6.578
   19   3HB   ALA   4          3HB       ALA   4   6.808  -9.969  -6.540
   20    H    ALA   5           H        ALA   5   3.472  -9.817  -7.648
   21    HA   ALA   5           HA       ALA   5   4.424  -8.205  -9.797
   22   1HB   ALA   5          2HB       ALA   5   1.689  -9.491  -9.382
   23   2HB   ALA   5          3HB       ALA   5   2.302  -8.833 -10.914
   24   3HB   ALA   5          1HB       ALA   5   3.104 -10.227 -10.166
   25    H    LEU   6           H        LEU   6   1.692  -7.760  -7.565
   26    HA   LEU   6           HA       LEU   6   0.564  -5.405  -8.611
   27   1HB   LEU   6          1HB       LEU   6   0.687  -6.608  -5.839
   28   2HB   LEU   6          2HB       LEU   6  -0.185  -5.108  -6.206
   29    HG   LEU   6           HG       LEU   6  -1.536  -6.297  -7.895
   30   1HD1  LEU   6          1HD2      LEU   6  -0.097  -8.781  -6.897
   31   2HD1  LEU   6          3HD2      LEU   6  -1.671  -8.824  -7.713
   32   3HD1  LEU   6          2HD2      LEU   6  -0.267  -8.208  -8.576
   33   1HD2  LEU   6          1HD1      LEU   6  -2.267  -5.955  -5.537
   34   2HD2  LEU   6          3HD1      LEU   6  -2.957  -7.414  -6.270
   35   3HD2  LEU   6          2HD1      LEU   6  -1.604  -7.551  -5.116
   36    H    TYR   7           H        TYR   7   3.019  -5.823  -6.007
   37    HA   TYR   7           HA       TYR   7   3.424  -3.222  -5.285
   38   1HB   TYR   7          1HB       TYR   7   4.456  -5.078  -4.146
   39   2HB   TYR   7          2HB       TYR   7   5.490  -5.415  -5.536
   40    HD1  TYR   7           HD1      TYR   7   4.651  -2.740  -3.041
   41    HD2  TYR   7           HD2      TYR   7   7.544  -4.241  -5.861
   42    HE1  TYR   7           HE1      TYR   7   6.218  -0.939  -2.391
   43    HE2  TYR   7           HE2      TYR   7   9.130  -2.467  -5.167
   44    HH   TYR   7           HH       TYR   7   8.419  -0.158  -2.566
   45    H    LYS   8           HN       LYS   8   4.670  -4.741  -8.260
   46    HA   LYS   8           HA       LYS   8   6.619  -2.776  -8.888
   47   1HB   LYS   8          2HB       LYS   8   5.008  -4.440 -10.846
   48   2HB   LYS   8          1HB       LYS   8   6.561  -3.658 -11.145
   49   1HG   LYS   8          1HG       LYS   8   6.046  -5.956  -9.219
   50   2HG   LYS   8          2HG       LYS   8   6.829  -6.056 -10.786
   51   1HD   LYS   8          2HD       LYS   8   8.689  -4.654 -10.020
   52   2HD   LYS   8          1HD       LYS   8   7.948  -4.458  -8.423
   53   1HE   LYS   8          2HE       LYS   8   8.697  -7.172  -9.579
   54   2HE   LYS   8          1HE       LYS   8   9.765  -6.209  -8.547
   55   1HZ   LYS   8          1HZ       LYS   8   7.086  -7.105  -7.744
   56   2HZ   LYS   8          2HZ       LYS   8   8.505  -7.835  -7.322
   57   3HZ   LYS   8          3HZ       LYS   8   8.183  -6.308  -6.811
   58    H    SER   9           H        SER   9   3.179  -2.353  -8.883
   59    HA   SER   9           HA       SER   9   3.344  -0.086 -10.798
   60   1HB   SER   9          2HB       SER   9   0.979   0.175 -10.359
   61   2HB   SER   9          1HB       SER   9   1.344  -1.499 -10.812
   62    HG   SER   9           HG       SER   9   1.229  -2.032  -8.567
   63    H    CYS  10           H        CYS  10   3.458  -0.729  -7.347
   64    HA   CYS  10           HA       CYS  10   2.599   1.865  -6.447
   65   1HB   CYS  10          2HB       CYS  10   4.153  -0.200  -4.885
   66   2HB   CYS  10          1HB       CYS  10   3.041   0.985  -4.253
   67    H    ILE  11           H        ILE  11   5.663   0.390  -7.248
   68    HA   ILE  11           HA       ILE  11   7.487   1.935  -5.924
   69    HB   ILE  11           HB       ILE  11   9.040   1.583  -7.765
   70   1HG1  ILE  11          1HG1      ILE  11   6.591   0.719  -9.330
   71   2HG1  ILE  11          2HG1      ILE  11   7.707   2.034  -9.710
   72   1HG2  ILE  11          3HG2      ILE  11   8.432  -0.221  -6.138
   73   2HG2  ILE  11          1HG2      ILE  11   7.330  -0.906  -7.349
   74   3HG2  ILE  11          2HG2      ILE  11   9.077  -0.829  -7.661
   75   1HD1  ILE  11          3HD1      ILE  11   9.543   0.368 -10.029
   76   2HD1  ILE  11          1HD1      ILE  11   8.339  -0.933  -9.844
   77   3HD1  ILE  11          2HD1      ILE  11   8.200   0.215 -11.180
   78    H    GLY  12           H        GLY  12   5.476   2.996  -8.618
   79   1HA   GLY  12          1HA       GLY  12   6.711   5.267  -9.574
   80   2HA   GLY  12          2HA       GLY  12   4.962   5.102  -9.335
   81    H    CYS  13           H        CYS  13   5.149   4.821  -6.418
   82    HA   CYS  13           HA       CYS  13   5.888   7.644  -5.640
   83   1HB   CYS  13          2HB       CYS  13   3.652   5.863  -4.693
   84   2HB   CYS  13          1HB       CYS  13   4.185   7.304  -3.827
   85    H    HIS  14           HN       HIS  14   5.750   4.187  -4.664
   86    HA   HIS  14           HA       HIS  14   7.070   4.749  -2.143
   87   1HB   HIS  14          2HB       HIS  14   6.159   2.225  -3.522
   88   2HB   HIS  14          1HB       HIS  14   6.968   2.228  -1.949
   89    HD1  HIS  14           HD1      HIS  14   5.865   3.793  -0.029
   90    HD2  HIS  14           HD2      HIS  14   3.410   2.965  -3.306
   91    HE1  HIS  14           HE1      HIS  14   3.529   4.336   0.654
   92    H    GLY  15           H        GLY  15   8.446   4.443  -5.233
   93   1HA   GLY  15          2HA       GLY  15  10.717   4.535  -5.711
   94   2HA   GLY  15          1HA       GLY  15  11.066   4.457  -3.963
   95    H    ALA  16           H        ALA  16  12.730   2.872  -4.330
   96    HA   ALA  16           HA       ALA  16  12.071   0.314  -5.588
   97   1HB   ALA  16          1HB       ALA  16  14.301   1.359  -5.798
   98   2HB   ALA  16          3HB       ALA  16  14.533   1.210  -4.039
   99   3HB   ALA  16          2HB       ALA  16  14.389  -0.246  -5.047
  100    H    ASP  17           HN       ASP  17  11.132   1.508  -2.628
  101    HA   ASP  17           HA       ASP  17  10.694  -1.110  -1.518
  102   1HB   ASP  17          1HB       ASP  17  11.959  -0.575   0.658
  103   2HB   ASP  17          2HB       ASP  17  12.881  -1.151  -0.727
  104    H    GLY  18           H        GLY  18  11.170   1.886   0.362
  105   1HA   GLY  18          2HA       GLY  18   8.549   2.937   0.116
  106   2HA   GLY  18          1HA       GLY  18   8.568   1.772   1.452
  107    H    SER  19           H        SER  19  11.215   3.928   0.372
  108    HA   SER  19           HA       SER  19  11.346   5.233   3.044
  109   1HB   SER  19          1HB       SER  19  13.659   5.850   2.024
  110   2HB   SER  19          2HB       SER  19  13.384   4.183   2.550
  111    HG   SER  19           HG       SER  19  13.371   3.501   0.540
  112    H    LYS  20           HN       LYS  20   9.592   5.753   0.508
  113    HA   LYS  20           HA       LYS  20  10.350   8.084  -0.771
  114   1HB   LYS  20          2HB       LYS  20   7.918   8.138  -1.425
  115   2HB   LYS  20          1HB       LYS  20   8.735   6.604  -1.654
  116   1HG   LYS  20          1HG       LYS  20   6.391   6.495  -0.808
  117   2HG   LYS  20          2HG       LYS  20   7.562   5.551   0.116
  118   1HD   LYS  20          2HD       LYS  20   7.557   7.125   1.929
  119   2HD   LYS  20          1HD       LYS  20   6.617   8.313   1.006
  120   1HE   LYS  20          1HE       LYS  20   5.600   5.574   1.840
  121   2HE   LYS  20          2HE       LYS  20   5.333   7.061   2.745
  122   1HZ   LYS  20          3HZ       LYS  20   4.438   6.599  -0.017
  123   2HZ   LYS  20          1HZ       LYS  20   3.498   6.556   1.332
  124   3HZ   LYS  20          2HZ       LYS  20   4.198   7.967   0.872
  125    H    ALA  21           H        ALA  21   8.906   9.947  -0.954
  126    HA   ALA  21           HA       ALA  21   7.732  11.164   1.463
  127   1HB   ALA  21          3HB       ALA  21   9.834  12.489  -0.338
  128   2HB   ALA  21          2HB       ALA  21   8.838  13.324   0.874
  129   3HB   ALA  21          1HB       ALA  21  10.022  12.103   1.387
  130    H    ALA  22           H        ALA  22   5.993  10.187   0.220
  131    HA   ALA  22           HA       ALA  22   5.552  10.874  -2.565
  132   1HB   ALA  22          3HB       ALA  22   5.108   8.633  -1.572
  133   2HB   ALA  22          2HB       ALA  22   3.785   9.334  -0.623
  134   3HB   ALA  22          1HB       ALA  22   3.708   9.306  -2.400
  135    H    MET  23           H        MET  23   2.491  10.895  -1.952
  136    HA   MET  23           HA       MET  23   2.203  13.742  -2.215
  137   1HB   MET  23          2HB       MET  23   0.196  11.483  -1.844
  138   2HB   MET  23          1HB       MET  23  -0.252  13.187  -2.023
  139   1HG   MET  23          2HG       MET  23   0.960  13.302  -4.171
  140   2HG   MET  23          1HG       MET  23   1.301  11.568  -4.067
  141   1HE   MET  23          2HE       MET  23   0.291  11.935  -6.635
  142   2HE   MET  23          3HE       MET  23  -1.429  12.275  -6.936
  143   3HE   MET  23          1HE       MET  23  -0.366  13.561  -6.320
  144    H    GLY  24           H        GLY  24   3.383  14.371  -0.318
  145   1HA   GLY  24          1HA       GLY  24   3.089  15.758   1.572
  146   2HA   GLY  24          2HA       GLY  24   1.531  14.989   1.929
  147    H    SER  25           H        SER  25   3.185  15.286   4.046
  148    HA   SER  25           HA       SER  25   5.142  13.461   4.653
  149   1HB   SER  25          2HB       SER  25   2.930  14.368   6.531
  150   2HB   SER  25          1HB       SER  25   4.619  14.015   6.941
  151    HG   SER  25           HG       SER  25   5.204  15.829   5.639
  152    H    ALA  26           H        ALA  26   5.046  11.285   4.316
  153    HA   ALA  26           HA       ALA  26   2.584   9.761   5.080
  154   1HB   ALA  26          2HB       ALA  26   4.451   9.488   2.683
  155   2HB   ALA  26          1HB       ALA  26   3.199   8.314   3.125
  156   3HB   ALA  26          3HB       ALA  26   2.743   9.969   2.651
  157    H    LYS  27           HN       LYS  27   2.972   7.885   6.324
  158    HA   LYS  27           HA       LYS  27   5.287   7.400   7.737
  159   1HB   LYS  27          2HB       LYS  27   2.861   5.807   6.804
  160   2HB   LYS  27          1HB       LYS  27   4.069   5.197   7.887
  161   1HG   LYS  27          2HG       LYS  27   3.053   7.845   8.715
  162   2HG   LYS  27          1HG       LYS  27   1.776   6.637   8.607
  163   1HD   LYS  27          1HD       LYS  27   4.345   5.976  10.091
  164   2HD   LYS  27          2HD       LYS  27   3.100   6.967  10.853
  165   1HE   LYS  27          2HE       LYS  27   2.844   4.579  11.440
  166   2HE   LYS  27          1HE       LYS  27   1.418   5.242  10.631
  167   1HZ   LYS  27          3HZ       LYS  27   3.491   3.625   9.323
  168   2HZ   LYS  27          2HZ       LYS  27   2.023   3.077   9.834
  169   3HZ   LYS  27          1HZ       LYS  27   2.106   4.189   8.624
  170    HA   PRO  28           HA       PRO  28   7.390   5.771   4.008
  171   1HB   PRO  28          2HB       PRO  28   9.638   5.158   5.885
  172   2HB   PRO  28          1HB       PRO  28   9.660   6.052   4.345
  173   1HG   PRO  28          2HG       PRO  28   9.847   7.398   6.712
  174   2HG   PRO  28          1HG       PRO  28   8.901   8.043   5.337
  175   1HD   PRO  28          1HD       PRO  28   7.860   6.539   7.751
  176   2HD   PRO  28          2HD       PRO  28   7.264   8.052   7.008
  177    H    VAL  29           H        VAL  29   6.214   3.985   3.684
  178    HA   VAL  29           HA       VAL  29   5.400   1.920   5.040
  179    HB   VAL  29           HB       VAL  29   6.639   1.273   2.386
  180   1HG1  VAL  29          2HG2      VAL  29   5.387  -0.502   3.638
  181   2HG1  VAL  29          3HG2      VAL  29   3.972   0.588   3.683
  182   3HG1  VAL  29          1HG2      VAL  29   4.573  -0.022   2.136
  183   1HG2  VAL  29          1HG1      VAL  29   4.205   3.015   2.985
  184   2HG2  VAL  29          2HG1      VAL  29   5.601   3.368   1.932
  185   3HG2  VAL  29          3HG1      VAL  29   4.418   2.129   1.463
  186    H    LYS  30           HN       LYS  30   8.734   2.132   3.923
  187    HA   LYS  30           HA       LYS  30   9.579  -0.550   4.445
  188   1HB   LYS  30          1HB       LYS  30  10.650   1.235   3.030
  189   2HB   LYS  30          2HB       LYS  30  11.185   2.038   4.493
  190   1HG   LYS  30          2HG       LYS  30  12.019  -0.589   3.216
  191   2HG   LYS  30          1HG       LYS  30  13.027   0.807   3.541
  192   1HD   LYS  30          1HD       LYS  30  11.878  -1.031   5.693
  193   2HD   LYS  30          2HD       LYS  30  13.465  -1.214   4.991
  194   1HE   LYS  30          1HE       LYS  30  14.265   0.850   5.889
  195   2HE   LYS  30          2HE       LYS  30  12.644   1.386   6.346
  196   1HZ   LYS  30          2HZ       LYS  30  14.028  -0.934   7.484
  197   2HZ   LYS  30          1HZ       LYS  30  13.845   0.537   8.214
  198   3HZ   LYS  30          3HZ       LYS  30  12.528  -0.404   7.899
  199    H    GLY  31           H        GLY  31   9.360  -1.466   6.472
  200   1HA   GLY  31          2HA       GLY  31  10.329  -1.509   8.585
  201   2HA   GLY  31          1HA       GLY  31   9.963   0.196   8.900
  202    H    GLN  32           H        GLN  32   7.116  -0.184   7.744
  203    HA   GLN  32           HA       GLN  32   6.067  -1.164  10.337
  204   1HB   GLN  32          2HB       GLN  32   3.861  -0.547   9.654
  205   2HB   GLN  32          1HB       GLN  32   4.984   0.795   9.782
  206   1HG   GLN  32          1HG       GLN  32   4.776  -0.351   7.087
  207   2HG   GLN  32          2HG       GLN  32   3.231   0.245   7.703
  208   1HE2  GLN  32          1HE2      GLN  32   3.931   3.499   6.542
  209   2HE2  GLN  32          2HE2      GLN  32   2.846   2.139   6.697
  210    H    GLY  33           H        GLY  33   4.306  -2.714  10.360
  211   1HA   GLY  33          1HA       GLY  33   5.317  -5.102   8.868
  212   2HA   GLY  33          2HA       GLY  33   4.613  -5.113  10.476
  213    H    ALA  34           H        ALA  34   3.979  -6.805   8.345
  214    HA   ALA  34           HA       ALA  34   1.853  -6.553   6.755
  215   1HB   ALA  34          2HB       ALA  34   2.317  -8.846   8.697
  216   2HB   ALA  34          1HB       ALA  34   1.309  -8.908   7.236
  217   3HB   ALA  34          3HB       ALA  34   3.055  -8.659   7.095
  218    H    GLU  35           HN       GLU  35   1.547  -6.961  10.328
  219    HA   GLU  35           HA       GLU  35  -1.206  -7.304  10.522
  220   1HB   GLU  35          1HB       GLU  35   0.912  -6.074  12.370
  221   2HB   GLU  35          2HB       GLU  35  -0.730  -6.471  12.813
  222   1HG   GLU  35          1HG       GLU  35   0.586  -8.276  13.592
  223   2HG   GLU  35          2HG       GLU  35  -0.334  -8.874  12.209
  224    H    GLU  36           HN       GLU  36   0.790  -4.349  10.330
  225    HA   GLU  36           HA       GLU  36  -1.493  -2.554  10.871
  226   1HB   GLU  36          2HB       GLU  36   0.519  -1.846  11.853
  227   2HB   GLU  36          1HB       GLU  36   1.502  -2.251  10.440
  228   1HG   GLU  36          1HG       GLU  36   0.727  -0.431   9.181
  229   2HG   GLU  36          2HG       GLU  36  -0.597  -0.069  10.323
  230    H    LEU  37           H        LEU  37   0.817  -3.395   8.196
  231    HA   LEU  37           HA       LEU  37  -0.142  -1.725   6.228
  232   1HB   LEU  37          2HB       LEU  37   1.166  -4.483   6.421
  233   2HB   LEU  37          1HB       LEU  37   0.894  -3.709   4.904
  234    HG   LEU  37           HG       LEU  37   2.654  -2.537   7.104
  235   1HD1  LEU  37          3HD2      LEU  37   3.345  -3.976   4.498
  236   2HD1  LEU  37          1HD2      LEU  37   4.509  -3.199   5.587
  237   3HD1  LEU  37          2HD2      LEU  37   3.595  -4.610   6.134
  238   1HD2  LEU  37          2HD1      LEU  37   2.221  -1.701   4.215
  239   2HD2  LEU  37          1HD1      LEU  37   1.762  -0.774   5.669
  240   3HD2  LEU  37          3HD1      LEU  37   3.465  -1.061   5.299
  241    H    TYR  38           HN       TYR  38  -1.008  -5.249   6.604
  242    HA   TYR  38           HA       TYR  38  -2.889  -5.438   4.665
  243   1HB   TYR  38          2HB       TYR  38  -2.182  -7.347   5.970
  244   2HB   TYR  38          1HB       TYR  38  -2.953  -6.685   7.412
  245    HD1  TYR  38           HD1      TYR  38  -4.135  -7.133   3.829
  246    HD2  TYR  38           HE2      TYR  38  -4.794  -8.011   8.007
  247    HE1  TYR  38           HD2      TYR  38  -6.340  -8.103   3.285
  248    HE2  TYR  38           HE1      TYR  38  -6.937  -9.095   7.434
  249    HH   TYR  38           HH       TYR  38  -8.372  -9.727   5.729
  250    H    LYS  39           HN       LYS  39  -3.599  -4.360   7.981
  251    HA   LYS  39           HA       LYS  39  -6.395  -3.939   7.566
  252   1HB   LYS  39          1HB       LYS  39  -4.399  -2.620   9.468
  253   2HB   LYS  39          2HB       LYS  39  -6.146  -2.373   9.545
  254   1HG   LYS  39          2HG       LYS  39  -6.511  -4.773   9.966
  255   2HG   LYS  39          1HG       LYS  39  -4.779  -5.093   9.746
  256   1HD   LYS  39          1HD       LYS  39  -4.259  -3.614  11.681
  257   2HD   LYS  39          2HD       LYS  39  -5.989  -3.321  11.921
  258   1HE   LYS  39          1HE       LYS  39  -5.125  -5.018  13.485
  259   2HE   LYS  39          2HE       LYS  39  -6.346  -5.723  12.411
  260   1HZ   LYS  39          2HZ       LYS  39  -3.453  -5.906  11.934
  261   2HZ   LYS  39          3HZ       LYS  39  -4.328  -7.068  12.727
  262   3HZ   LYS  39          1HZ       LYS  39  -4.644  -6.718  11.149
  263    H    LYS  40           HN       LYS  40  -3.580  -1.759   7.200
  264    HA   LYS  40           HA       LYS  40  -5.177   0.488   6.412
  265   1HB   LYS  40          2HB       LYS  40  -2.229  -0.174   6.373
  266   2HB   LYS  40          1HB       LYS  40  -2.834   1.292   5.617
  267   1HG   LYS  40          1HG       LYS  40  -4.066   1.848   7.770
  268   2HG   LYS  40          2HG       LYS  40  -3.351   0.401   8.511
  269   1HD   LYS  40          2HD       LYS  40  -1.111   1.320   8.157
  270   2HD   LYS  40          1HD       LYS  40  -1.821   2.737   7.331
  271   1HE   LYS  40          1HE       LYS  40  -2.994   3.369   9.420
  272   2HE   LYS  40          2HE       LYS  40  -2.235   2.002  10.259
  273   1HZ   LYS  40          2HZ       LYS  40  -0.763   4.175   8.934
  274   2HZ   LYS  40          1HZ       LYS  40  -1.084   4.108  10.554
  275   3HZ   LYS  40          3HZ       LYS  40  -0.124   2.963   9.855
  276    H    MET  41           H        MET  41  -3.319  -1.827   4.285
  277    HA   MET  41           HA       MET  41  -4.318  -0.572   1.905
  278   1HB   MET  41          1HB       MET  41  -3.942  -2.853   0.801
  279   2HB   MET  41          2HB       MET  41  -2.627  -1.819   1.283
  280   1HG   MET  41          2HG       MET  41  -3.308  -3.786   3.346
  281   2HG   MET  41          1HG       MET  41  -2.773  -4.561   1.853
  282   1HE   MET  41          1HE       MET  41  -1.176  -3.515   0.385
  283   2HE   MET  41          2HE       MET  41  -0.173  -2.155   0.881
  284   3HE   MET  41          3HE       MET  41   0.478  -3.813   0.972
  285    H    LYS  42           HN       LYS  42  -5.773  -3.068   4.025
  286    HA   LYS  42           HA       LYS  42  -8.029  -3.529   2.362
  287   1HB   LYS  42          1HB       LYS  42  -7.316  -4.834   4.411
  288   2HB   LYS  42          2HB       LYS  42  -7.977  -3.540   5.409
  289   1HG   LYS  42          1HG       LYS  42 -10.215  -3.929   4.598
  290   2HG   LYS  42          2HG       LYS  42  -9.632  -4.957   3.281
  291   1HD   LYS  42          1HD       LYS  42 -10.632  -6.298   5.069
  292   2HD   LYS  42          2HD       LYS  42  -8.925  -6.691   4.822
  293   1HE   LYS  42          1HE       LYS  42  -8.293  -5.371   6.805
  294   2HE   LYS  42          2HE       LYS  42  -9.974  -4.833   7.013
  295   1HZ   LYS  42          2HZ       LYS  42 -10.571  -7.117   7.388
  296   2HZ   LYS  42          1HZ       LYS  42  -9.007  -7.601   7.186
  297   3HZ   LYS  42          3HZ       LYS  42  -9.415  -6.636   8.459
  298    H    GLY  43           H        GLY  43  -7.445  -1.166   4.979
  299   1HA   GLY  43          2HA       GLY  43  -9.874   0.208   5.016
  300   2HA   GLY  43          1HA       GLY  43  -8.296   0.882   5.421
  301    H    TYR  44           H        TYR  44  -6.938   0.932   3.056
  302    HA   TYR  44           HA       TYR  44  -7.955   3.135   1.613
  303   1HB   TYR  44          2HB       TYR  44  -5.834   1.023   1.082
  304   2HB   TYR  44          1HB       TYR  44  -6.213   2.287  -0.075
  305    HD1  TYR  44           HD1      TYR  44  -6.292   4.775   1.075
  306    HD2  TYR  44           HD2      TYR  44  -3.707   1.477   2.057
  307    HE1  TYR  44           HE1      TYR  44  -4.758   6.307   2.269
  308    HE2  TYR  44           HE2      TYR  44  -2.060   3.050   2.992
  309    HH   TYR  44           HH       TYR  44  -1.603   5.224   3.546
  310    H    ALA  45           H        ALA  45  -7.736  -0.353   0.622
  311    HA   ALA  45           HA       ALA  45  -9.146  -0.107  -1.792
  312   1HB   ALA  45          3HB       ALA  45  -7.893  -2.109  -1.131
  313   2HB   ALA  45          2HB       ALA  45  -9.082  -2.462   0.142
  314   3HB   ALA  45          1HB       ALA  45  -9.559  -2.533  -1.567
  315    H    ASP  46           HN       ASP  46 -10.453  -0.672   1.477
  316    HA   ASP  46           HA       ASP  46 -13.202  -0.934   0.735
  317   1HB   ASP  46          1HB       ASP  46 -12.425  -1.736   2.866
  318   2HB   ASP  46          2HB       ASP  46 -11.762  -0.154   3.296
  319    H    GLY  47           H        GLY  47 -11.106   1.866   1.399
  320   1HA   GLY  47          2HA       GLY  47 -11.440   4.011   0.586
  321   2HA   GLY  47          1HA       GLY  47 -13.157   3.698   0.309
  322    H    SER  48           H        SER  48 -11.576   2.840   3.370
  323    HA   SER  48           HA       SER  48 -13.174   4.944   4.803
  324   1HB   SER  48          1HB       SER  48 -12.403   3.490   6.801
  325   2HB   SER  48          2HB       SER  48 -13.661   2.840   5.737
  326    HG   SER  48           HG       SER  48 -12.333   1.412   4.946
  327    H    TYR  49           H        TYR  49 -10.110   3.232   5.215
  328    HA   TYR  49           HA       TYR  49  -8.716   5.571   6.280
  329   1HB   TYR  49          1HB       TYR  49  -8.191   3.165   6.883
  330   2HB   TYR  49          2HB       TYR  49  -7.581   2.939   5.254
  331    HD1  TYR  49           HD2      TYR  49  -7.111   5.063   8.312
  332    HD2  TYR  49           HD1      TYR  49  -5.279   3.363   4.799
  333    HE1  TYR  49           HE2      TYR  49  -4.911   5.946   9.027
  334    HE2  TYR  49           HE1      TYR  49  -3.077   4.229   5.534
  335    HH   TYR  49           HH       TYR  49  -1.984   5.791   7.034
  336    H    GLY  50           H        GLY  50  -9.413   6.961   4.357
  337   1HA   GLY  50          1HA       GLY  50  -7.263   7.015   2.325
  338   2HA   GLY  50          2HA       GLY  50  -8.913   6.738   1.738
  339    H    GLY  51           H        GLY  51  -8.053   8.891   0.632
  340   1HA   GLY  51          1HA       GLY  51  -9.605  11.047   1.441
  341   2HA   GLY  51          2HA       GLY  51  -7.975  11.325   2.105
  342    H    GLU  52           HN       GLU  52  -8.755  13.116   0.242
  343    HA   GLU  52           HA       GLU  52  -8.519  12.592  -2.448
  344   1HB   GLU  52          1HB       GLU  52  -8.042  14.905  -2.789
  345   2HB   GLU  52          2HB       GLU  52  -9.227  14.725  -1.498
  346   1HG   GLU  52          2HG       GLU  52  -6.299  15.524  -1.241
  347   2HG   GLU  52          1HG       GLU  52  -7.727  16.494  -0.896
  348    H    ARG  53           HN       ARG  53  -5.750  13.412  -0.296
  349    HA   ARG  53           HA       ARG  53  -3.731  13.215  -2.251
  350   1HB   ARG  53          2HB       ARG  53  -2.199  13.070  -0.376
  351   2HB   ARG  53          1HB       ARG  53  -3.470  14.253  -0.034
  352   1HG   ARG  53          2HG       ARG  53  -4.671  12.434   1.316
  353   2HG   ARG  53          1HG       ARG  53  -3.255  11.414   1.055
  354   1HD   ARG  53          1HD       ARG  53  -3.080  14.145   2.371
  355   2HD   ARG  53          2HD       ARG  53  -3.370  12.638   3.248
  356    HE   ARG  53           HE       ARG  53  -1.003  12.831   1.432
  357   1HH1  ARG  53          1HH1      ARG  53  -2.097  12.785   4.831
  358   2HH1  ARG  53          2HH1      ARG  53  -0.531  12.265   5.403
  359   1HH2  ARG  53          1HH2      ARG  53   0.933  12.198   2.204
  360   2HH2  ARG  53          2HH2      ARG  53   1.210  11.950   3.926
  361    H    LYS  54           HN       LYS  54  -5.574  10.663  -0.768
  362    HA   LYS  54           HA       LYS  54  -3.539   8.580  -1.329
  363   1HB   LYS  54          1HB       LYS  54  -6.269   8.263  -0.070
  364   2HB   LYS  54          2HB       LYS  54  -4.905   7.165   0.007
  365   1HG   LYS  54          1HG       LYS  54  -5.036   9.935   1.318
  366   2HG   LYS  54          2HG       LYS  54  -5.330   8.419   2.114
  367   1HD   LYS  54          2HD       LYS  54  -2.968   7.676   1.509
  368   2HD   LYS  54          1HD       LYS  54  -2.689   9.268   0.822
  369   1HE   LYS  54          1HE       LYS  54  -1.783   9.343   3.023
  370   2HE   LYS  54          2HE       LYS  54  -3.300  10.234   3.138
  371   1HZ   LYS  54          2HZ       LYS  54  -2.931   7.413   3.878
  372   2HZ   LYS  54          1HZ       LYS  54  -2.983   8.676   4.934
  373   3HZ   LYS  54          3HZ       LYS  54  -4.318   8.283   4.053
  374    H    ALA  55           H        ALA  55  -6.521   9.936  -2.550
  375    HA   ALA  55           HA       ALA  55  -7.994   8.146  -3.721
  376   1HB   ALA  55          2HB       ALA  55  -8.246  10.541  -4.118
  377   2HB   ALA  55          1HB       ALA  55  -6.887  10.523  -5.264
  378   3HB   ALA  55          3HB       ALA  55  -8.384   9.643  -5.642
  379    H    MET  56           H        MET  56  -4.975   9.004  -5.506
  380    HA   MET  56           HA       MET  56  -5.360   7.189  -7.639
  381   1HB   MET  56          1HB       MET  56  -2.726   8.102  -6.381
  382   2HB   MET  56          2HB       MET  56  -2.917   7.381  -7.981
  383   1HG   MET  56          2HG       MET  56  -3.959  10.078  -7.031
  384   2HG   MET  56          1HG       MET  56  -2.686   9.774  -8.201
  385   1HE   MET  56          3HE       MET  56  -3.084   8.738 -10.577
  386   2HE   MET  56          1HE       MET  56  -4.148   7.414 -10.033
  387   3HE   MET  56          2HE       MET  56  -4.686   8.517 -11.317
  388    H    MET  57           H        MET  57  -3.511   6.741  -4.625
  389    HA   MET  57           HA       MET  57  -2.759   4.017  -5.036
  390   1HB   MET  57          2HB       MET  57  -1.626   5.373  -3.415
  391   2HB   MET  57          1HB       MET  57  -3.125   5.748  -2.569
  392   1HG   MET  57          2HG       MET  57  -3.386   3.470  -1.798
  393   2HG   MET  57          1HG       MET  57  -2.003   2.932  -2.758
  394   1HE   MET  57          3HE       MET  57  -3.085   5.609  -0.107
  395   2HE   MET  57          1HE       MET  57  -1.586   5.839   0.833
  396   3HE   MET  57          2HE       MET  57  -1.700   6.470  -0.821
  397    H    THR  58           H        THR  58  -5.553   5.597  -3.513
  398    HA   THR  58           HA       THR  58  -6.793   3.363  -2.319
  399    HB   THR  58           HB       THR  58  -8.237   5.731  -3.572
  400    HG1  THR  58           HG1      THR  58  -6.424   6.270  -2.128
  401   1HG2  THR  58          3HG2      THR  58  -9.631   3.814  -2.613
  402   2HG2  THR  58          2HG2      THR  58  -8.890   4.234  -1.047
  403   3HG2  THR  58          1HG2      THR  58  -9.886   5.419  -1.895
  404    H    ASN  59           H        ASN  59  -7.278   4.774  -5.622
  405    HA   ASN  59           HA       ASN  59  -9.038   2.695  -6.486
  406   1HB   ASN  59          2HB       ASN  59  -8.654   4.961  -7.565
  407   2HB   ASN  59          1HB       ASN  59  -7.191   4.291  -8.291
  408   1HD2  ASN  59          1HD2      ASN  59  -9.824   1.898  -9.972
  409   2HD2  ASN  59          2HD2      ASN  59  -8.833   1.476  -8.591
  410    H    ALA  60           H        ALA  60  -5.447   3.024  -6.575
  411    HA   ALA  60           HA       ALA  60  -4.976   0.801  -8.285
  412   1HB   ALA  60          2HB       ALA  60  -3.275   2.505  -7.710
  413   2HB   ALA  60          3HB       ALA  60  -3.167   1.837  -6.068
  414   3HB   ALA  60          1HB       ALA  60  -2.706   0.845  -7.464
  415    H    VAL  61           H        VAL  61  -5.050   0.948  -4.665
  416    HA   VAL  61           HA       VAL  61  -4.792  -1.936  -4.489
  417    HB   VAL  61           HB       VAL  61  -5.133  -1.715  -2.137
  418   1HG1  VAL  61          3HG2      VAL  61  -2.911  -1.237  -3.129
  419   2HG1  VAL  61          1HG2      VAL  61  -3.298   0.495  -3.165
  420   3HG1  VAL  61          2HG2      VAL  61  -3.183  -0.355  -1.613
  421   1HG2  VAL  61          3HG1      VAL  61  -6.868   0.098  -2.149
  422   2HG2  VAL  61          1HG1      VAL  61  -5.528   0.332  -1.015
  423   3HG2  VAL  61          2HG1      VAL  61  -5.593   1.266  -2.514
  424    H    LYS  62           HN       LYS  62  -7.620   0.246  -4.727
  425    HA   LYS  62           HA       LYS  62  -9.613  -1.506  -3.869
  426   1HB   LYS  62          1HB       LYS  62 -10.061   0.800  -4.559
  427   2HB   LYS  62          2HB       LYS  62  -9.605   0.414  -6.218
  428   1HG   LYS  62          2HG       LYS  62 -11.945   0.558  -6.232
  429   2HG   LYS  62          1HG       LYS  62 -11.532  -1.131  -6.419
  430   1HD   LYS  62          1HD       LYS  62 -13.158  -1.410  -4.872
  431   2HD   LYS  62          2HD       LYS  62 -11.864  -1.115  -3.719
  432   1HE   LYS  62          1HE       LYS  62 -13.875   0.933  -4.801
  433   2HE   LYS  62          2HE       LYS  62 -13.879   0.200  -3.188
  434   1HZ   LYS  62          3HZ       LYS  62 -11.815   1.242  -2.737
  435   2HZ   LYS  62          2HZ       LYS  62 -11.772   1.950  -4.231
  436   3HZ   LYS  62          1HZ       LYS  62 -12.944   2.371  -3.147
  437    H    LYS  63           HN       LYS  63  -7.665  -1.677  -6.883
  438    HA   LYS  63           HA       LYS  63  -9.341  -3.571  -8.174
  439   1HB   LYS  63          1HB       LYS  63  -6.780  -2.174  -8.625
  440   2HB   LYS  63          2HB       LYS  63  -6.733  -3.835  -9.135
  441   1HG   LYS  63          2HG       LYS  63  -7.435  -2.488 -10.986
  442   2HG   LYS  63          1HG       LYS  63  -8.836  -3.443 -10.474
  443   1HD   LYS  63          2HD       LYS  63  -9.635  -1.438  -9.138
  444   2HD   LYS  63          1HD       LYS  63  -8.266  -0.515  -9.768
  445   1HE   LYS  63          1HE       LYS  63 -10.464  -1.813 -11.462
  446   2HE   LYS  63          2HE       LYS  63 -10.412  -0.106 -11.005
  447   1HZ   LYS  63          3HZ       LYS  63  -8.340   0.088 -12.187
  448   2HZ   LYS  63          1HZ       LYS  63  -8.410  -1.495 -12.640
  449   3HZ   LYS  63          2HZ       LYS  63  -9.547  -0.434 -13.181
  450    H    ALA  64           H        ALA  64  -7.138  -3.896  -5.499
  451    HA   ALA  64           HA       ALA  64  -6.462  -6.750  -5.998
  452   1HB   ALA  64          3HB       ALA  64  -5.614  -4.721  -3.883
  453   2HB   ALA  64          2HB       ALA  64  -5.050  -6.376  -3.966
  454   3HB   ALA  64          1HB       ALA  64  -4.670  -5.252  -5.286
  455    H    SER  65           H        SER  65  -7.852  -8.305  -5.169
  456    HA   SER  65           HA       SER  65  -9.874  -7.586  -3.221
  457   1HB   SER  65          1HB       SER  65  -9.379 -10.421  -4.127
  458   2HB   SER  65          2HB       SER  65 -10.854  -9.529  -3.799
  459    HG   SER  65           HG       SER  65  -9.243  -9.390  -6.091
  460    H    ASP  66           HN       ASP  66 -10.015  -9.858  -1.565
  461    HA   ASP  66           HA       ASP  66  -8.252  -9.080   0.432
  462   1HB   ASP  66          1HB       ASP  66  -9.045 -10.897   1.740
  463   2HB   ASP  66          2HB       ASP  66 -10.407 -10.326   0.772
  464    H    GLU  67           HN       GLU  67  -7.816 -12.057  -1.563
  465    HA   GLU  67           HA       GLU  67  -5.502 -12.900  -0.235
  466   1HB   GLU  67          2HB       GLU  67  -6.870 -14.135  -2.059
  467   2HB   GLU  67          1HB       GLU  67  -5.903 -13.223  -3.242
  468   1HG   GLU  67          1HG       GLU  67  -4.972 -15.471  -2.839
  469   2HG   GLU  67          2HG       GLU  67  -3.836 -14.211  -2.345
  470    H    GLU  68           HN       GLU  68  -5.811 -10.769  -3.038
  471    HA   GLU  68           HA       GLU  68  -3.154 -10.240  -3.601
  472   1HB   GLU  68          2HB       GLU  68  -5.733  -8.610  -3.843
  473   2HB   GLU  68          1HB       GLU  68  -4.267  -8.314  -4.680
  474   1HG   GLU  68          1HG       GLU  68  -5.128  -9.559  -6.314
  475   2HG   GLU  68          2HG       GLU  68  -4.670 -10.981  -5.331
  476    H    LEU  69           H        LEU  69  -5.497  -8.392  -1.553
  477    HA   LEU  69           HA       LEU  69  -3.679  -6.422  -0.656
  478   1HB   LEU  69          1HB       LEU  69  -6.141  -7.612   0.664
  479   2HB   LEU  69          2HB       LEU  69  -5.308  -6.182   1.281
  480    HG   LEU  69           HG       LEU  69  -6.346  -6.280  -1.578
  481   1HD1  LEU  69          1HD2      LEU  69  -7.823  -5.384   0.933
  482   2HD1  LEU  69          2HD2      LEU  69  -8.365  -5.091  -0.735
  483   3HD1  LEU  69          3HD2      LEU  69  -8.266  -6.745  -0.114
  484   1HD2  LEU  69          3HD1      LEU  69  -4.728  -4.467  -0.984
  485   2HD2  LEU  69          2HD1      LEU  69  -6.336  -3.876  -1.413
  486   3HD2  LEU  69          1HD1      LEU  69  -5.858  -3.952   0.293
  487    H    LYS  70           HN       LYS  70  -4.477  -9.614   0.834
  488    HA   LYS  70           HA       LYS  70  -2.855  -9.358   3.155
  489   1HB   LYS  70          2HB       LYS  70  -3.671 -11.735   1.443
  490   2HB   LYS  70          1HB       LYS  70  -2.804 -11.897   2.978
  491   1HG   LYS  70          2HG       LYS  70  -4.621 -11.118   4.250
  492   2HG   LYS  70          1HG       LYS  70  -5.409 -10.357   2.863
  493   1HD   LYS  70          1HD       LYS  70  -6.528 -12.463   3.640
  494   2HD   LYS  70          2HD       LYS  70  -6.108 -12.415   1.928
  495   1HE   LYS  70          1HE       LYS  70  -4.105 -13.811   2.335
  496   2HE   LYS  70          2HE       LYS  70  -4.472 -13.824   4.073
  497   1HZ   LYS  70          3HZ       LYS  70  -6.549 -14.933   3.485
  498   2HZ   LYS  70          2HZ       LYS  70  -6.105 -14.946   1.894
  499   3HZ   LYS  70          1HZ       LYS  70  -5.229 -15.793   2.997
  500    H    ALA  71           H        ALA  71  -2.138 -10.706  -0.109
  501    HA   ALA  71           HA       ALA  71   0.586 -11.280   0.452
  502   1HB   ALA  71          3HB       ALA  71  -0.735 -12.260  -1.410
  503   2HB   ALA  71          1HB       ALA  71  -0.752 -10.678  -2.219
  504   3HB   ALA  71          2HB       ALA  71   0.786 -11.539  -1.976
  505    H    LEU  72           H        LEU  72  -0.995  -8.255  -0.630
  506    HA   LEU  72           HA       LEU  72   1.361  -6.931  -1.510
  507   1HB   LEU  72          1HB       LEU  72  -1.271  -6.566  -1.711
  508   2HB   LEU  72          2HB       LEU  72  -1.092  -5.604  -0.280
  509    HG   LEU  72           HG       LEU  72   0.254  -4.002  -1.529
  510   1HD1  LEU  72          1HD1      LEU  72   0.219  -6.076  -3.735
  511   2HD1  LEU  72          3HD1      LEU  72   0.631  -4.369  -4.021
  512   3HD1  LEU  72          2HD1      LEU  72   1.651  -5.342  -2.969
  513   1HD2  LEU  72          2HD2      LEU  72  -2.155  -5.079  -3.110
  514   2HD2  LEU  72          1HD2      LEU  72  -2.214  -3.892  -1.796
  515   3HD2  LEU  72          3HD2      LEU  72  -1.477  -3.480  -3.354
  516    H    ALA  73           H        ALA  73  -0.508  -6.902   1.502
  517    HA   ALA  73           HA       ALA  73   1.246  -5.381   3.104
  518   1HB   ALA  73          1HB       ALA  73  -1.055  -6.131   3.711
  519   2HB   ALA  73          3HB       ALA  73  -0.446  -7.765   3.995
  520   3HB   ALA  73          2HB       ALA  73   0.135  -6.426   4.999
  521    H    ASP  74           HN       ASP  74   1.145  -8.973   2.661
  522    HA   ASP  74           HA       ASP  74   3.279  -9.626   4.337
  523   1HB   ASP  74          2HB       ASP  74   1.799 -11.306   3.347
  524   2HB   ASP  74          1HB       ASP  74   2.437 -10.948   1.731
  525    H    TYR  75           H        TYR  75   3.424  -8.904   0.794
  526    HA   TYR  75           HA       TYR  75   6.164  -9.265   0.422
  527   1HB   TYR  75          1HB       TYR  75   4.466  -8.886  -1.338
  528   2HB   TYR  75          2HB       TYR  75   4.324  -7.206  -0.877
  529    HD1  TYR  75           HD2      TYR  75   6.163  -5.590  -1.337
  530    HD2  TYR  75           HD1      TYR  75   6.439  -9.712  -2.571
  531    HE1  TYR  75           HE2      TYR  75   8.050  -5.018  -2.810
  532    HE2  TYR  75           HE1      TYR  75   8.257  -9.102  -4.153
  533    HH   TYR  75           HH       TYR  75   9.452  -5.751  -4.479
  534    H    MET  76           H        MET  76   4.509  -6.128   1.026
  535    HA   MET  76           HA       MET  76   7.011  -4.725   1.384
  536   1HB   MET  76          1HB       MET  76   4.161  -4.000   2.107
  537   2HB   MET  76          2HB       MET  76   5.549  -2.917   2.337
  538   1HG   MET  76          1HG       MET  76   6.145  -3.227  -0.098
  539   2HG   MET  76          2HG       MET  76   4.625  -4.106  -0.312
  540   1HE   MET  76          1HE       MET  76   2.303  -3.056  -0.188
  541   2HE   MET  76          2HE       MET  76   2.626  -2.489   1.474
  542   3HE   MET  76          3HE       MET  76   2.003  -1.354   0.268
  543    H    SER  77           H        SER  77   5.000  -6.476   3.743
  544    HA   SER  77           HA       SER  77   6.260  -5.403   6.040
  545   1HB   SER  77          2HB       SER  77   4.240  -6.910   5.987
  546   2HB   SER  77          1HB       SER  77   5.326  -8.278   5.674
  547    HG   SER  77           HG       SER  77   6.463  -7.485   7.644
  548    H    LYS  78           HN       LYS  78   7.895  -7.110   3.542
  549    HA   LYS  78           HA       LYS  78   9.817  -8.449   5.316
  550   1HB   LYS  78          2HB       LYS  78   9.778  -7.973   2.316
  551   2HB   LYS  78          1HB       LYS  78  10.925  -9.004   3.184
  552   1HG   LYS  78          1HG       LYS  78   9.158 -10.518   3.893
  553   2HG   LYS  78          2HG       LYS  78   7.908  -9.446   3.249
  554   1HD   LYS  78          2HD       LYS  78   8.804  -9.732   0.961
  555   2HD   LYS  78          1HD       LYS  78   9.994 -10.900   1.579
  556   1HE   LYS  78          1HE       LYS  78   8.158 -12.363   2.378
  557   2HE   LYS  78          2HE       LYS  78   6.956 -11.165   1.870
  558   1HZ   LYS  78          3HZ       LYS  78   7.678 -11.473  -0.381
  559   2HZ   LYS  78          2HZ       LYS  78   8.785 -12.604   0.085
  560   3HZ   LYS  78          1HZ       LYS  78   7.174 -12.896   0.278
  561    H    LEU  79           H        LEU  79   9.305  -5.104   4.203
  562    HA   LEU  79           HA       LEU  79  12.096  -4.427   4.120
  563   1HB   LEU  79          2HB       LEU  79   9.329  -3.202   3.603
  564   2HB   LEU  79          1HB       LEU  79  10.786  -2.348   3.600
  565    HG   LEU  79           HG       LEU  79  10.165  -4.741   1.804
  566   1HD1  LEU  79          1HD2      LEU  79  10.006  -1.762   1.191
  567   2HD1  LEU  79          3HD2      LEU  79   9.788  -3.068   0.001
  568   3HD1  LEU  79          2HD2      LEU  79   8.641  -2.879   1.338
  569   1HD2  LEU  79          2HD1      LEU  79  12.451  -2.735   1.689
  570   2HD2  LEU  79          1HD1      LEU  79  12.565  -4.490   1.944
  571   3HD2  LEU  79          3HD1      LEU  79  12.042  -3.866   0.378
  572    HHA  HEC   1           HHA      HEM   1   2.005   4.752   3.293
  573    HHB  HEC   1           HHB      HEM   1  -0.151  -0.358   0.143
  574    HHC  HEC   1           HHC      HEM   1   0.848   2.857  -5.316
  575    HHD  HEC   1           HHD      HEM   1   1.121   8.278  -1.878
  576   1HMA  HEC   1          1HMA      HEM   1   0.816  -0.957   2.587
  577   2HMA  HEC   1          2HMA      HEM   1   0.086  -0.121   3.973
  578   3HMA  HEC   1          3HMA      HEM   1  -0.875  -0.387   2.518
  579   1HAA  HEC   1          1HAA      HEM   1   2.263   3.015   4.584
  580   2HAA  HEC   1          2HAA      HEM   1   1.827   1.333   4.783
  581   1HBA  HEC   1          1HBA      HEM   1  -0.470   1.891   5.302
  582   2HBA  HEC   1          2HBA      HEM   1  -0.220   3.587   4.886
  583   1HMB  HEC   1          1HMB      HEM   1  -0.928  -1.671  -1.879
  584   2HMB  HEC   1          2HMB      HEM   1   0.824  -1.800  -1.605
  585   3HMB  HEC   1          3HMB      HEM   1   0.197  -2.035  -3.219
  586    HAB  HEC   1           HAB      HEM   1   0.569   0.831  -5.862
  587   1HBB  HEC   1          1HBB      HEM   1  -1.033  -1.556  -4.942
  588   2HBB  HEC   1          2HBB      HEM   1  -1.728   0.010  -5.385
  589   3HBB  HEC   1          3HBB      HEM   1  -0.803  -0.932  -6.578
  590   1HMC  HEC   1          1HMC      HEM   1   1.884   4.782  -6.676
  591   2HMC  HEC   1          2HMC      HEM   1   0.103   4.750  -6.639
  592   3HMC  HEC   1          3HMC      HEM   1   0.957   6.275  -6.887
  593    HAC  HEC   1           HAC      HEM   1   1.897   8.668  -3.892
  594   1HBC  HEC   1          1HBC      HEM   1  -0.428   8.898  -4.569
  595   2HBC  HEC   1          2HBC      HEM   1   0.663   9.709  -5.716
  596   3HBC  HEC   1          3HBC      HEM   1  -0.068   8.154  -6.141
  597   1HMD  HEC   1          1HMD      HEM   1   0.313   9.637   1.632
  598   2HMD  HEC   1          2HMD      HEM   1   1.565   9.746   0.384
  599   3HMD  HEC   1          3HMD      HEM   1  -0.119   9.391  -0.061
  600   1HAD  HEC   1          1HAD      HEM   1  -0.487   7.422   3.395
  601   2HAD  HEC   1          2HAD      HEM   1   0.917   8.453   3.499
  602   1HBD  HEC   1          1HBD      HEM   1   0.711   5.605   4.625
  603   2HBD  HEC   1          2HBD      HEM   1   2.163   6.593   4.658
   
  No H/Q in entry =         603
  Start of MODEL   39
    1   1H    ALA   1          2H        ALA   1  -1.037 -12.177  -5.539
    2   2H    ALA   1          3H        ALA   1  -1.354 -13.342  -6.669
    3   3H    ALA   1          1H        ALA   1  -1.029 -13.729  -5.074
    4    HA   ALA   1           HA       ALA   1   1.000 -14.113  -6.231
    5   1HB   ALA   1          3HB       ALA   1   0.494 -12.712  -8.218
    6   2HB   ALA   1          2HB       ALA   1   0.638 -11.243  -7.227
    7   3HB   ALA   1          1HB       ALA   1   2.059 -12.270  -7.510
    8    H    ASP   2           HN       ASP   2   3.100 -13.321  -5.281
    9    HA   ASP   2           HA       ASP   2   2.712 -12.549  -2.576
   10   1HB   ASP   2          1HB       ASP   2   5.293 -12.816  -4.150
   11   2HB   ASP   2          2HB       ASP   2   5.117 -12.836  -2.391
   12    H    GLY   3           H        GLY   3   1.686 -10.275  -3.905
   13   1HA   GLY   3          2HA       GLY   3   1.739  -8.046  -3.652
   14   2HA   GLY   3          1HA       GLY   3   3.160  -8.214  -2.617
   15    H    ALA   4           H        ALA   4   5.065  -9.157  -4.341
   16    HA   ALA   4           HA       ALA   4   6.258  -6.958  -5.385
   17   1HB   ALA   4          2HB       ALA   4   7.350  -9.157  -5.115
   18   2HB   ALA   4          1HB       ALA   4   6.479  -9.775  -6.535
   19   3HB   ALA   4          3HB       ALA   4   7.673  -8.471  -6.719
   20    H    ALA   5           H        ALA   5   4.110  -9.079  -7.294
   21    HA   ALA   5           HA       ALA   5   4.412  -7.798  -9.797
   22   1HB   ALA   5          2HB       ALA   5   1.978  -9.198  -8.614
   23   2HB   ALA   5          1HB       ALA   5   2.202  -8.786 -10.328
   24   3HB   ALA   5          3HB       ALA   5   3.289  -9.951  -9.546
   25    H    LEU   6           H        LEU   6   2.006  -7.117  -7.148
   26    HA   LEU   6           HA       LEU   6   0.634  -5.028  -8.449
   27   1HB   LEU   6          2HB       LEU   6   0.943  -6.215  -5.655
   28   2HB   LEU   6          1HB       LEU   6   0.115  -4.726  -5.936
   29    HG   LEU   6           HG       LEU   6  -1.346  -5.905  -7.614
   30   1HD1  LEU   6          2HD2      LEU   6   0.100  -8.403  -6.651
   31   2HD1  LEU   6          1HD2      LEU   6  -1.458  -8.411  -7.502
   32   3HD1  LEU   6          3HD2      LEU   6  -0.032  -7.797  -8.325
   33   1HD2  LEU   6          3HD1      LEU   6  -2.035  -5.624  -5.223
   34   2HD2  LEU   6          1HD1      LEU   6  -2.710  -7.069  -5.979
   35   3HD2  LEU   6          2HD1      LEU   6  -1.333  -7.221  -4.858
   36    H    TYR   7           H        TYR   7   3.371  -5.253  -6.197
   37    HA   TYR   7           HA       TYR   7   3.668  -2.621  -5.502
   38   1HB   TYR   7          1HB       TYR   7   4.907  -4.686  -4.658
   39   2HB   TYR   7          2HB       TYR   7   6.060  -4.405  -5.964
   40    HD1  TYR   7           HD2      TYR   7   4.302  -2.585  -3.158
   41    HD2  TYR   7           HD1      TYR   7   7.964  -3.086  -5.384
   42    HE1  TYR   7           HE2      TYR   7   5.347  -0.754  -1.858
   43    HE2  TYR   7           HE1      TYR   7   9.040  -1.347  -3.981
   44    HH   TYR   7           HH       TYR   7   8.709   0.288  -2.402
   45    H    LYS   8           HN       LYS   8   4.330  -3.944  -8.668
   46    HA   LYS   8           HA       LYS   8   6.144  -2.009  -9.672
   47   1HB   LYS   8          2HB       LYS   8   3.896  -3.526 -11.053
   48   2HB   LYS   8          1HB       LYS   8   5.134  -2.566 -11.881
   49   1HG   LYS   8          2HG       LYS   8   6.922  -3.953 -10.911
   50   2HG   LYS   8          1HG       LYS   8   5.722  -4.940 -10.053
   51   1HD   LYS   8          1HD       LYS   8   4.767  -5.723 -12.153
   52   2HD   LYS   8          2HD       LYS   8   5.772  -4.599 -13.084
   53   1HE   LYS   8          1HE       LYS   8   6.722  -6.853 -13.203
   54   2HE   LYS   8          2HE       LYS   8   7.825  -5.760 -12.352
   55   1HZ   LYS   8          1HZ       LYS   8   6.987  -6.660 -10.283
   56   2HZ   LYS   8          3HZ       LYS   8   6.002  -7.694 -11.106
   57   3HZ   LYS   8          2HZ       LYS   8   7.637  -7.839 -11.234
   58    H    SER   9           H        SER   9   2.642  -1.801  -9.010
   59    HA   SER   9           HA       SER   9   2.517   0.947 -10.165
   60   1HB   SER   9          2HB       SER   9   0.343  -0.788  -8.927
   61   2HB   SER   9          1HB       SER   9   0.128   0.706  -9.858
   62    HG   SER   9           HG       SER   9   1.239  -0.485 -11.607
   63    H    CYS  10           H        CYS  10   4.182   0.408  -7.861
   64    HA   CYS  10           HA       CYS  10   2.946   2.142  -5.782
   65   1HB   CYS  10          1HB       CYS  10   3.146  -0.548  -5.665
   66   2HB   CYS  10          2HB       CYS  10   4.724  -0.116  -4.976
   67    H    ILE  11           H        ILE  11   5.910   0.542  -7.001
   68    HA   ILE  11           HA       ILE  11   7.801   2.299  -5.871
   69    HB   ILE  11           HB       ILE  11   9.236   1.795  -7.801
   70   1HG1  ILE  11          1HG1      ILE  11   6.874   0.185  -8.866
   71   2HG1  ILE  11          2HG1      ILE  11   7.505   1.671  -9.590
   72   1HG2  ILE  11          3HG2      ILE  11   8.999   0.292  -5.805
   73   2HG2  ILE  11          1HG2      ILE  11   7.845  -0.692  -6.724
   74   3HG2  ILE  11          2HG2      ILE  11   9.535  -0.556  -7.252
   75   1HD1  ILE  11          2HD1      ILE  11   9.707   0.522  -9.933
   76   2HD1  ILE  11          1HD1      ILE  11   8.946  -0.997  -9.394
   77   3HD1  ILE  11          3HD1      ILE  11   8.351  -0.176 -10.842
   78    H    GLY  12           H        GLY  12   8.556   4.353  -6.456
   79   1HA   GLY  12          1HA       GLY  12   8.539   6.268  -7.945
   80   2HA   GLY  12          2HA       GLY  12   6.894   5.869  -8.460
   81    H    CYS  13           H        CYS  13   5.731   5.154  -5.849
   82    HA   CYS  13           HA       CYS  13   5.753   7.888  -4.601
   83   1HB   CYS  13          2HB       CYS  13   3.764   5.626  -4.562
   84   2HB   CYS  13          1HB       CYS  13   3.796   6.894  -3.350
   85    H    HIS  14           HN       HIS  14   5.978   4.383  -3.927
   86    HA   HIS  14           HA       HIS  14   7.069   4.941  -1.226
   87   1HB   HIS  14          2HB       HIS  14   6.172   2.432  -2.685
   88   2HB   HIS  14          1HB       HIS  14   6.847   2.446  -1.050
   89    HD1  HIS  14           HD1      HIS  14   5.641   3.997   0.757
   90    HD2  HIS  14           HD2      HIS  14   3.519   3.410  -2.776
   91    HE1  HIS  14           HE1      HIS  14   3.264   4.419   1.312
   92    H    GLY  15           H        GLY  15   8.130   3.718  -4.335
   93   1HA   GLY  15          2HA       GLY  15  10.319   3.909  -5.183
   94   2HA   GLY  15          1HA       GLY  15  10.958   4.156  -3.555
   95    H    ALA  16           H        ALA  16  12.364   2.536  -5.040
   96    HA   ALA  16           HA       ALA  16  11.850  -0.094  -5.519
   97   1HB   ALA  16          3HB       ALA  16  13.955   1.040  -6.090
   98   2HB   ALA  16          1HB       ALA  16  14.426   1.073  -4.375
   99   3HB   ALA  16          2HB       ALA  16  14.270  -0.477  -5.227
  100    H    ASP  17           HN       ASP  17  12.881   1.238  -2.352
  101    HA   ASP  17           HA       ASP  17  12.510  -1.379  -1.014
  102   1HB   ASP  17          1HB       ASP  17  13.309   1.398   0.006
  103   2HB   ASP  17          2HB       ASP  17  13.105  -0.049   1.012
  104    H    GLY  18           H        GLY  18  11.396   1.542   0.550
  105   1HA   GLY  18          1HA       GLY  18   8.813   1.796  -0.491
  106   2HA   GLY  18          2HA       GLY  18   8.734   0.587   0.806
  107    H    SER  19           H        SER  19  10.396   3.767   0.247
  108    HA   SER  19           HA       SER  19   9.295   4.825   2.756
  109   1HB   SER  19          2HB       SER  19  12.296   4.431   2.349
  110   2HB   SER  19          1HB       SER  19  11.471   5.103   3.751
  111    HG   SER  19           HG       SER  19  10.334   2.865   3.601
  112    H    LYS  20           HN       LYS  20  10.063   5.593  -0.441
  113    HA   LYS  20           HA       LYS  20  11.399   8.128   0.220
  114   1HB   LYS  20          2HB       LYS  20  11.400   8.666  -2.028
  115   2HB   LYS  20          1HB       LYS  20  11.747   6.935  -1.950
  116   1HG   LYS  20          1HG       LYS  20   9.395   6.462  -2.532
  117   2HG   LYS  20          2HG       LYS  20   9.022   8.167  -2.632
  118   1HD   LYS  20          1HD       LYS  20  11.196   6.867  -4.327
  119   2HD   LYS  20          2HD       LYS  20   9.506   6.943  -4.832
  120   1HE   LYS  20          1HE       LYS  20  11.216   9.393  -4.194
  121   2HE   LYS  20          2HE       LYS  20  10.848   8.773  -5.808
  122   1HZ   LYS  20          1HZ       LYS  20   8.525   9.111  -5.349
  123   2HZ   LYS  20          2HZ       LYS  20   8.868   9.780  -3.882
  124   3HZ   LYS  20          3HZ       LYS  20   9.379  10.519  -5.259
  125    H    ALA  21           H        ALA  21  10.352  10.236  -0.560
  126    HA   ALA  21           HA       ALA  21   7.859  10.640   0.859
  127   1HB   ALA  21          1HB       ALA  21   9.340  12.419  -1.132
  128   2HB   ALA  21          2HB       ALA  21   7.987  12.916  -0.095
  129   3HB   ALA  21          3HB       ALA  21   9.532  12.436   0.637
  130    H    ALA  22           H        ALA  22   5.848  10.256   0.062
  131    HA   ALA  22           HA       ALA  22   5.532   9.391  -2.754
  132   1HB   ALA  22          2HB       ALA  22   4.672   7.966  -0.936
  133   2HB   ALA  22          3HB       ALA  22   3.640   9.293  -0.367
  134   3HB   ALA  22          1HB       ALA  22   3.364   8.558  -1.961
  135    H    MET  23           H        MET  23   2.579  10.383  -2.101
  136    HA   MET  23           HA       MET  23   2.833  12.903  -3.573
  137   1HB   MET  23          1HB       MET  23   0.382  12.912  -3.478
  138   2HB   MET  23          2HB       MET  23   1.075  11.457  -4.209
  139   1HG   MET  23          2HG       MET  23   0.649  10.186  -2.121
  140   2HG   MET  23          1HG       MET  23  -0.057  11.616  -1.386
  141   1HE   MET  23          1HE       MET  23  -1.827  12.612  -4.095
  142   2HE   MET  23          3HE       MET  23  -1.053  11.366  -5.111
  143   3HE   MET  23          2HE       MET  23  -2.788  11.292  -4.785
  144    H    GLY  24           H        GLY  24   4.319  13.486  -1.677
  145   1HA   GLY  24          2HA       GLY  24   4.511  15.363  -0.210
  146   2HA   GLY  24          1HA       GLY  24   2.837  15.130   0.335
  147    H    SER  25           H        SER  25   4.089  15.205   2.510
  148    HA   SER  25           HA       SER  25   5.835  13.270   3.404
  149   1HB   SER  25          1HB       SER  25   3.549  14.492   5.003
  150   2HB   SER  25          2HB       SER  25   5.157  14.033   5.597
  151    HG   SER  25           HG       SER  25   6.011  15.692   4.231
  152    H    ALA  26           H        ALA  26   5.657  11.106   4.056
  153    HA   ALA  26           HA       ALA  26   3.038   9.936   4.652
  154   1HB   ALA  26          1HB       ALA  26   4.756   9.099   2.264
  155   2HB   ALA  26          2HB       ALA  26   3.400   8.159   2.905
  156   3HB   ALA  26          3HB       ALA  26   3.110   9.765   2.197
  157    H    LYS  27           HN       LYS  27   3.255   8.124   6.022
  158    HA   LYS  27           HA       LYS  27   5.598   7.525   7.387
  159   1HB   LYS  27          2HB       LYS  27   2.877   6.309   6.781
  160   2HB   LYS  27          1HB       LYS  27   4.040   5.373   7.607
  161   1HG   LYS  27          2HG       LYS  27   3.408   8.136   8.645
  162   2HG   LYS  27          1HG       LYS  27   2.228   6.854   8.870
  163   1HD   LYS  27          2HD       LYS  27   5.111   6.807   9.881
  164   2HD   LYS  27          1HD       LYS  27   3.657   7.076  10.844
  165   1HE   LYS  27          2HE       LYS  27   4.552   4.474   9.533
  166   2HE   LYS  27          1HE       LYS  27   4.293   4.822  11.238
  167   1HZ   LYS  27          2HZ       LYS  27   1.945   5.070  10.747
  168   2HZ   LYS  27          3HZ       LYS  27   2.212   4.664   9.171
  169   3HZ   LYS  27          1HZ       LYS  27   2.496   3.566  10.361
  170    HA   PRO  28           HA       PRO  28   7.294   4.934   4.090
  171   1HB   PRO  28          2HB       PRO  28   9.298   3.598   5.441
  172   2HB   PRO  28          1HB       PRO  28   9.409   5.350   5.077
  173   1HG   PRO  28          1HG       PRO  28   8.485   4.066   7.656
  174   2HG   PRO  28          2HG       PRO  28   9.692   5.369   7.451
  175   1HD   PRO  28          2HD       PRO  28   7.078   5.881   8.063
  176   2HD   PRO  28          1HD       PRO  28   7.998   6.971   6.979
  177    H    VAL  29           H        VAL  29   6.844   2.828   3.393
  178    HA   VAL  29           HA       VAL  29   4.912   1.346   5.086
  179    HB   VAL  29           HB       VAL  29   5.003  -0.204   2.987
  180   1HG1  VAL  29          1HG2      VAL  29   3.718   2.566   2.978
  181   2HG1  VAL  29          3HG2      VAL  29   3.212   1.217   1.932
  182   3HG1  VAL  29          2HG2      VAL  29   3.049   1.079   3.693
  183   1HG2  VAL  29          3HG1      VAL  29   6.083   2.299   1.716
  184   2HG2  VAL  29          1HG1      VAL  29   6.803   0.674   1.787
  185   3HG2  VAL  29          2HG1      VAL  29   5.317   0.947   0.865
  186    H    LYS  30           HN       LYS  30   8.113   1.102   3.714
  187    HA   LYS  30           HA       LYS  30   8.875  -1.444   3.745
  188   1HB   LYS  30          2HB       LYS  30  10.121   0.512   3.166
  189   2HB   LYS  30          1HB       LYS  30  10.483   0.850   4.885
  190   1HG   LYS  30          1HG       LYS  30  11.447  -1.571   4.922
  191   2HG   LYS  30          2HG       LYS  30  11.373  -1.491   3.155
  192   1HD   LYS  30          1HD       LYS  30  12.796   0.633   3.316
  193   2HD   LYS  30          2HD       LYS  30  12.980   0.281   5.041
  194   1HE   LYS  30          2HE       LYS  30  13.839  -1.514   2.712
  195   2HE   LYS  30          1HE       LYS  30  14.910  -0.630   3.815
  196   1HZ   LYS  30          3HZ       LYS  30  13.998  -2.030   5.588
  197   2HZ   LYS  30          1HZ       LYS  30  13.099  -2.855   4.471
  198   3HZ   LYS  30          2HZ       LYS  30  14.737  -2.912   4.402
  199    H    GLY  31           H        GLY  31   7.886  -2.819   5.221
  200   1HA   GLY  31          2HA       GLY  31   7.802  -4.105   7.019
  201   2HA   GLY  31          1HA       GLY  31   9.295  -3.377   7.587
  202    H    GLN  32           H        GLN  32   6.084  -1.604   7.246
  203    HA   GLN  32           HA       GLN  32   6.305  -0.575   9.895
  204   1HB   GLN  32          2HB       GLN  32   3.505  -1.055   8.837
  205   2HB   GLN  32          1HB       GLN  32   4.161   0.208   9.868
  206   1HG   GLN  32          2HG       GLN  32   5.470   1.000   7.908
  207   2HG   GLN  32          1HG       GLN  32   4.538  -0.128   6.918
  208   1HE2  GLN  32          1HE2      GLN  32   2.877   3.354   6.887
  209   2HE2  GLN  32          2HE2      GLN  32   4.585   2.911   6.878
  210    H    GLY  33           H        GLY  33   4.006  -2.888   8.955
  211   1HA   GLY  33          2HA       GLY  33   4.912  -5.229  10.331
  212   2HA   GLY  33          1HA       GLY  33   3.746  -4.386  11.377
  213    H    ALA  34           H        ALA  34   3.831  -6.866   9.197
  214    HA   ALA  34           HA       ALA  34   1.975  -6.620   7.287
  215   1HB   ALA  34          1HB       ALA  34   3.084  -8.764   7.814
  216   2HB   ALA  34          2HB       ALA  34   2.014  -8.969   9.217
  217   3HB   ALA  34          3HB       ALA  34   1.344  -8.955   7.572
  218    H    GLU  35           HN       GLU  35   1.058  -6.889  10.717
  219    HA   GLU  35           HA       GLU  35  -1.766  -7.009  10.370
  220   1HB   GLU  35          2HB       GLU  35   0.060  -5.892  12.556
  221   2HB   GLU  35          1HB       GLU  35  -1.691  -5.886  12.681
  222   1HG   GLU  35          2HG       GLU  35  -1.725  -8.369  12.399
  223   2HG   GLU  35          1HG       GLU  35   0.041  -8.377  12.278
  224    H    GLU  36           HN       GLU  36   0.449  -4.226  10.815
  225    HA   GLU  36           HA       GLU  36  -1.502  -2.164  10.855
  226   1HB   GLU  36          2HB       GLU  36   0.872  -2.047  11.758
  227   2HB   GLU  36          1HB       GLU  36   1.491  -2.162  10.132
  228   1HG   GLU  36          1HG       GLU  36   0.541  -0.228   9.411
  229   2HG   GLU  36          2HG       GLU  36  -0.441   0.043  10.876
  230    H    LEU  37           H        LEU  37   0.799  -3.342   8.428
  231    HA   LEU  37           HA       LEU  37   0.041  -1.763   6.241
  232   1HB   LEU  37          1HB       LEU  37   1.277  -4.520   6.496
  233   2HB   LEU  37          2HB       LEU  37   1.078  -3.728   4.937
  234    HG   LEU  37           HG       LEU  37   2.516  -2.333   7.237
  235   1HD1  LEU  37          3HD2      LEU  37   3.633  -4.259   5.200
  236   2HD1  LEU  37          2HD2      LEU  37   4.640  -3.156   6.168
  237   3HD1  LEU  37          1HD2      LEU  37   3.682  -4.420   6.958
  238   1HD2  LEU  37          1HD1      LEU  37   2.463  -1.989   4.209
  239   2HD2  LEU  37          3HD1      LEU  37   1.956  -0.821   5.444
  240   3HD2  LEU  37          2HD1      LEU  37   3.662  -1.221   5.234
  241    H    TYR  38           HN       TYR  38  -1.173  -5.050   7.147
  242    HA   TYR  38           HA       TYR  38  -2.909  -5.252   4.947
  243   1HB   TYR  38          2HB       TYR  38  -2.337  -7.192   6.326
  244   2HB   TYR  38          1HB       TYR  38  -3.187  -6.480   7.698
  245    HD1  TYR  38           HD1      TYR  38  -4.001  -7.008   4.022
  246    HD2  TYR  38           HE2      TYR  38  -5.210  -7.604   8.126
  247    HE1  TYR  38           HD2      TYR  38  -6.146  -7.961   3.257
  248    HE2  TYR  38           HE1      TYR  38  -7.315  -8.636   7.349
  249    HH   TYR  38           HH       TYR  38  -8.569  -9.285   5.526
  250    H    LYS  39           HN       LYS  39  -3.591  -4.027   8.223
  251    HA   LYS  39           HA       LYS  39  -6.338  -3.449   7.645
  252   1HB   LYS  39          1HB       LYS  39  -4.378  -2.254   9.663
  253   2HB   LYS  39          2HB       LYS  39  -6.107  -1.875   9.642
  254   1HG   LYS  39          1HG       LYS  39  -6.701  -4.196  10.060
  255   2HG   LYS  39          2HG       LYS  39  -5.019  -4.714   9.871
  256   1HD   LYS  39          1HD       LYS  39  -4.367  -3.346  11.849
  257   2HD   LYS  39          2HD       LYS  39  -6.052  -2.834  12.042
  258   1HE   LYS  39          2HE       LYS  39  -5.551  -4.641  13.608
  259   2HE   LYS  39          1HE       LYS  39  -6.729  -5.207  12.412
  260   1HZ   LYS  39          3HZ       LYS  39  -3.834  -5.717  12.330
  261   2HZ   LYS  39          2HZ       LYS  39  -4.979  -6.792  12.830
  262   3HZ   LYS  39          1HZ       LYS  39  -4.945  -6.294  11.260
  263    H    LYS  40           HN       LYS  40  -3.422  -1.312   7.453
  264    HA   LYS  40           HA       LYS  40  -4.765   1.010   6.612
  265   1HB   LYS  40          1HB       LYS  40  -1.979  -0.157   6.190
  266   2HB   LYS  40          2HB       LYS  40  -2.450   1.469   5.760
  267   1HG   LYS  40          2HG       LYS  40  -2.677   0.413   8.619
  268   2HG   LYS  40          1HG       LYS  40  -1.202   1.137   7.966
  269   1HD   LYS  40          1HD       LYS  40  -2.510   3.212   7.468
  270   2HD   LYS  40          2HD       LYS  40  -3.915   2.496   8.282
  271   1HE   LYS  40          1HE       LYS  40  -2.557   2.274  10.367
  272   2HE   LYS  40          2HE       LYS  40  -1.153   2.965   9.526
  273   1HZ   LYS  40          3HZ       LYS  40  -2.404   4.973   9.209
  274   2HZ   LYS  40          1HZ       LYS  40  -3.695   4.342  10.013
  275   3HZ   LYS  40          2HZ       LYS  40  -2.276   4.600  10.810
  276    H    MET  41           H        MET  41  -3.129  -1.580   4.682
  277    HA   MET  41           HA       MET  41  -3.703  -0.347   2.195
  278   1HB   MET  41          1HB       MET  41  -2.647  -1.997   1.187
  279   2HB   MET  41          2HB       MET  41  -1.846  -2.011   2.737
  280   1HG   MET  41          1HG       MET  41  -2.085  -4.350   2.235
  281   2HG   MET  41          2HG       MET  41  -3.504  -3.998   3.255
  282   1HE   MET  41          1HE       MET  41  -1.966  -3.856  -0.140
  283   2HE   MET  41          2HE       MET  41  -3.150  -4.542  -1.258
  284   3HE   MET  41          3HE       MET  41  -3.323  -2.867  -0.732
  285    H    LYS  42           HN       LYS  42  -5.447  -2.880   4.030
  286    HA   LYS  42           HA       LYS  42  -7.511  -3.245   2.091
  287   1HB   LYS  42          2HB       LYS  42  -7.076  -4.773   3.988
  288   2HB   LYS  42          1HB       LYS  42  -7.647  -3.532   5.122
  289   1HG   LYS  42          1HG       LYS  42  -9.879  -3.575   4.041
  290   2HG   LYS  42          2HG       LYS  42  -9.294  -4.774   2.869
  291   1HD   LYS  42          1HD       LYS  42  -8.792  -6.337   4.742
  292   2HD   LYS  42          2HD       LYS  42  -9.441  -5.165   5.900
  293   1HE   LYS  42          1HE       LYS  42 -10.992  -6.493   3.618
  294   2HE   LYS  42          2HE       LYS  42 -11.082  -6.941   5.328
  295   1HZ   LYS  42          3HZ       LYS  42 -11.915  -4.745   5.796
  296   2HZ   LYS  42          2HZ       LYS  42 -11.869  -4.350   4.196
  297   3HZ   LYS  42          1HZ       LYS  42 -12.882  -5.535   4.722
  298    H    GLY  43           H        GLY  43  -7.110  -0.959   4.851
  299   1HA   GLY  43          2HA       GLY  43  -9.572   0.355   4.750
  300   2HA   GLY  43          1HA       GLY  43  -8.030   1.048   5.285
  301    H    TYR  44           H        TYR  44  -6.502   1.104   3.001
  302    HA   TYR  44           HA       TYR  44  -7.469   3.281   1.504
  303   1HB   TYR  44          2HB       TYR  44  -5.259   1.221   1.114
  304   2HB   TYR  44          1HB       TYR  44  -5.617   2.408  -0.110
  305    HD1  TYR  44           HD2      TYR  44  -5.995   4.938   1.113
  306    HD2  TYR  44           HD1      TYR  44  -3.192   1.829   2.136
  307    HE1  TYR  44           HE2      TYR  44  -4.698   6.538   2.477
  308    HE2  TYR  44           HE1      TYR  44  -1.748   3.513   3.205
  309    HH   TYR  44           HH       TYR  44  -1.403   5.758   3.588
  310    H    ALA  45           H        ALA  45  -7.242  -0.201   0.604
  311    HA   ALA  45           HA       ALA  45  -8.480  -0.049  -1.904
  312   1HB   ALA  45          2HB       ALA  45  -7.407  -2.096  -1.008
  313   2HB   ALA  45          1HB       ALA  45  -8.718  -2.278   0.170
  314   3HB   ALA  45          3HB       ALA  45  -9.062  -2.435  -1.553
  315    H    ASP  46           HN       ASP  46 -10.090  -0.399   1.280
  316    HA   ASP  46           HA       ASP  46 -12.755  -0.541   0.221
  317   1HB   ASP  46          1HB       ASP  46 -12.160  -1.333   2.465
  318   2HB   ASP  46          2HB       ASP  46 -11.695   0.304   2.951
  319    H    GLY  47           H        GLY  47 -10.644   2.115   1.300
  320   1HA   GLY  47          1HA       GLY  47 -10.718   4.266   0.293
  321   2HA   GLY  47          2HA       GLY  47 -12.462   4.126   0.040
  322    H    SER  48           H        SER  48 -12.019   2.812   3.109
  323    HA   SER  48           HA       SER  48 -13.178   5.018   4.476
  324   1HB   SER  48          2HB       SER  48 -12.495   3.396   6.383
  325   2HB   SER  48          1HB       SER  48 -13.649   2.798   5.181
  326    HG   SER  48           HG       SER  48 -12.052   1.253   5.423
  327    H    TYR  49           H        TYR  49 -10.054   3.341   4.809
  328    HA   TYR  49           HA       TYR  49  -8.805   5.702   6.085
  329   1HB   TYR  49          1HB       TYR  49  -8.217   3.307   6.718
  330   2HB   TYR  49          2HB       TYR  49  -7.451   3.146   5.142
  331    HD1  TYR  49           HD1      TYR  49  -7.406   5.346   8.185
  332    HD2  TYR  49           HD2      TYR  49  -5.172   3.704   4.881
  333    HE1  TYR  49           HE1      TYR  49  -5.369   6.499   8.984
  334    HE2  TYR  49           HE2      TYR  49  -3.136   4.843   5.698
  335    HH   TYR  49           HH       TYR  49  -2.181   6.160   7.401
  336    H    GLY  50           H        GLY  50  -9.623   6.908   4.024
  337   1HA   GLY  50          2HA       GLY  50  -7.339   7.445   2.324
  338   2HA   GLY  50          1HA       GLY  50  -8.559   6.518   1.474
  339    H    GLY  51           H        GLY  51  -9.971   7.772   0.430
  340   1HA   GLY  51          2HA       GLY  51 -11.530   9.401  -0.034
  341   2HA   GLY  51          1HA       GLY  51 -11.340  10.024   1.604
  342    H    GLU  52           HN       GLU  52  -8.779  10.914   1.714
  343    HA   GLU  52           HA       GLU  52  -8.910  13.370   0.163
  344   1HB   GLU  52          1HB       GLU  52  -6.685  12.384   1.997
  345   2HB   GLU  52          2HB       GLU  52  -7.033  14.062   1.518
  346   1HG   GLU  52          1HG       GLU  52  -9.224  13.927   2.685
  347   2HG   GLU  52          2HG       GLU  52  -8.793  12.316   3.287
  348    H    ARG  53           HN       ARG  53  -5.872  13.529   0.009
  349    HA   ARG  53           HA       ARG  53  -5.322  13.158  -2.625
  350   1HB   ARG  53          2HB       ARG  53  -2.965  13.142  -2.004
  351   2HB   ARG  53          1HB       ARG  53  -3.864  14.269  -0.989
  352   1HG   ARG  53          2HG       ARG  53  -3.915  12.421   0.811
  353   2HG   ARG  53          1HG       ARG  53  -2.786  11.522  -0.224
  354   1HD   ARG  53          1HD       ARG  53  -1.145  13.283  -0.087
  355   2HD   ARG  53          2HD       ARG  53  -2.245  14.321   0.825
  356    HE   ARG  53           HE       ARG  53  -2.293  12.422   2.541
  357   1HH1  ARG  53          1HH2      ARG  53   0.705  13.275   0.725
  358   2HH1  ARG  53          2HH2      ARG  53   1.703  12.770   2.078
  359   1HH2  ARG  53          2HH1      ARG  53  -0.840  11.821   4.219
  360   2HH2  ARG  53          1HH1      ARG  53   0.885  11.993   3.940
  361    H    LYS  54           HN       LYS  54  -5.150  10.792  -0.126
  362    HA   LYS  54           HA       LYS  54  -3.990   8.530  -1.047
  363   1HB   LYS  54          2HB       LYS  54  -6.682   8.629   0.353
  364   2HB   LYS  54          1HB       LYS  54  -5.464   7.360   0.462
  365   1HG   LYS  54          1HG       LYS  54  -5.361  10.181   1.662
  366   2HG   LYS  54          2HG       LYS  54  -5.472   8.663   2.498
  367   1HD   LYS  54          1HD       LYS  54  -3.169   8.040   1.624
  368   2HD   LYS  54          2HD       LYS  54  -3.064   9.635   0.899
  369   1HE   LYS  54          1HE       LYS  54  -1.924   9.784   2.970
  370   2HE   LYS  54          2HE       LYS  54  -3.460  10.621   3.226
  371   1HZ   LYS  54          3HZ       LYS  54  -2.891   7.837   3.995
  372   2HZ   LYS  54          1HZ       LYS  54  -2.876   9.125   5.021
  373   3HZ   LYS  54          2HZ       LYS  54  -4.284   8.659   4.305
  374    H    ALA  55           H        ALA  55  -7.147   9.771  -2.111
  375    HA   ALA  55           HA       ALA  55  -8.533   7.747  -3.139
  376   1HB   ALA  55          2HB       ALA  55  -9.164  10.093  -3.376
  377   2HB   ALA  55          1HB       ALA  55  -7.900  10.339  -4.602
  378   3HB   ALA  55          3HB       ALA  55  -9.281   9.271  -4.944
  379    H    MET  56           H        MET  56  -5.646   9.017  -4.845
  380    HA   MET  56           HA       MET  56  -5.902   7.396  -7.197
  381   1HB   MET  56          1HB       MET  56  -3.388   8.485  -5.846
  382   2HB   MET  56          2HB       MET  56  -3.505   7.888  -7.507
  383   1HG   MET  56          2HG       MET  56  -4.920  10.348  -6.379
  384   2HG   MET  56          1HG       MET  56  -3.508  10.314  -7.422
  385   1HE   MET  56          1HE       MET  56  -7.085  11.032  -7.307
  386   2HE   MET  56          3HE       MET  56  -7.822  10.298  -8.747
  387   3HE   MET  56          2HE       MET  56  -7.396   9.277  -7.361
  388    H    MET  57           H        MET  57  -4.085   6.907  -4.182
  389    HA   MET  57           HA       MET  57  -2.947   4.347  -4.807
  390   1HB   MET  57          1HB       MET  57  -2.020   5.771  -3.095
  391   2HB   MET  57          2HB       MET  57  -3.550   5.816  -2.225
  392   1HG   MET  57          2HG       MET  57  -3.403   3.467  -1.644
  393   2HG   MET  57          1HG       MET  57  -1.925   3.285  -2.598
  394   1HE   MET  57          2HE       MET  57  -3.227   6.031  -0.017
  395   2HE   MET  57          3HE       MET  57  -1.726   6.318   0.890
  396   3HE   MET  57          1HE       MET  57  -1.823   6.763  -0.820
  397    H    THR  58           H        THR  58  -5.811   5.434  -2.940
  398    HA   THR  58           HA       THR  58  -6.908   2.992  -2.169
  399    HB   THR  58           HB       THR  58  -8.040   5.669  -2.889
  400    HG1  THR  58           HG1      THR  58  -8.301   4.100  -0.582
  401   1HG2  THR  58          1HG2      THR  58  -9.808   3.255  -2.375
  402   2HG2  THR  58          2HG2      THR  58 -10.304   4.938  -2.106
  403   3HG2  THR  58          3HG2      THR  58  -9.873   4.397  -3.727
  404    H    ASN  59           H        ASN  59  -7.641   4.706  -5.296
  405    HA   ASN  59           HA       ASN  59  -9.172   2.538  -6.279
  406   1HB   ASN  59          2HB       ASN  59  -9.043   4.914  -7.185
  407   2HB   ASN  59          1HB       ASN  59  -7.586   4.420  -8.052
  408   1HD2  ASN  59          1HD2      ASN  59 -10.142   1.930  -9.718
  409   2HD2  ASN  59          2HD2      ASN  59  -9.021   1.498  -8.440
  410    H    ALA  60           H        ALA  60  -5.627   3.187  -6.497
  411    HA   ALA  60           HA       ALA  60  -5.085   1.147  -8.424
  412   1HB   ALA  60          2HB       ALA  60  -3.486   2.932  -7.855
  413   2HB   ALA  60          1HB       ALA  60  -3.253   2.232  -6.241
  414   3HB   ALA  60          3HB       ALA  60  -2.766   1.320  -7.679
  415    H    VAL  61           H        VAL  61  -4.746   1.052  -4.827
  416    HA   VAL  61           HA       VAL  61  -4.161  -1.759  -4.835
  417    HB   VAL  61           HB       VAL  61  -4.305  -1.688  -2.467
  418   1HG1  VAL  61          3HG2      VAL  61  -2.314  -0.694  -3.593
  419   2HG1  VAL  61          2HG2      VAL  61  -3.041   0.916  -3.438
  420   3HG1  VAL  61          1HG2      VAL  61  -2.629  -0.007  -1.985
  421   1HG2  VAL  61          3HG1      VAL  61  -6.305  -0.357  -2.113
  422   2HG2  VAL  61          1HG1      VAL  61  -4.949   0.312  -1.198
  423   3HG2  VAL  61          2HG1      VAL  61  -5.496   1.102  -2.685
  424    H    LYS  62           HN       LYS  62  -7.242   0.036  -4.725
  425    HA   LYS  62           HA       LYS  62  -8.913  -2.005  -3.792
  426   1HB   LYS  62          1HB       LYS  62  -9.634   0.284  -4.099
  427   2HB   LYS  62          2HB       LYS  62  -9.451   0.162  -5.860
  428   1HG   LYS  62          2HG       LYS  62 -11.274  -1.411  -6.004
  429   2HG   LYS  62          1HG       LYS  62 -11.341  -1.566  -4.233
  430   1HD   LYS  62          2HD       LYS  62 -11.896   0.882  -4.080
  431   2HD   LYS  62          1HD       LYS  62 -11.967   0.955  -5.849
  432   1HE   LYS  62          1HE       LYS  62 -13.711  -0.769  -4.016
  433   2HE   LYS  62          2HE       LYS  62 -14.214   0.721  -4.827
  434   1HZ   LYS  62          3HZ       LYS  62 -13.838  -0.368  -6.927
  435   2HZ   LYS  62          1HZ       LYS  62 -13.406  -1.765  -6.163
  436   3HZ   LYS  62          2HZ       LYS  62 -14.941  -1.189  -6.019
  437    H    LYS  63           HN       LYS  63  -7.204  -1.836  -6.892
  438    HA   LYS  63           HA       LYS  63  -9.018  -3.610  -8.229
  439   1HB   LYS  63          2HB       LYS  63  -6.097  -3.146  -8.876
  440   2HB   LYS  63          1HB       LYS  63  -7.348  -3.785  -9.943
  441   1HG   LYS  63          1HG       LYS  63  -7.003  -0.963  -8.900
  442   2HG   LYS  63          2HG       LYS  63  -7.006  -1.508 -10.565
  443   1HD   LYS  63          1HD       LYS  63  -9.439  -1.422  -8.699
  444   2HD   LYS  63          2HD       LYS  63  -9.042  -0.267  -9.959
  445   1HE   LYS  63          1HE       LYS  63  -9.216  -2.027 -11.700
  446   2HE   LYS  63          2HE       LYS  63  -9.629  -3.225 -10.463
  447   1HZ   LYS  63          2HZ       LYS  63 -11.190  -0.826 -11.101
  448   2HZ   LYS  63          3HZ       LYS  63 -11.559  -2.374 -11.528
  449   3HZ   LYS  63          1HZ       LYS  63 -11.564  -1.937  -9.940
  450    H    ALA  64           H        ALA  64  -6.649  -4.162  -5.747
  451    HA   ALA  64           HA       ALA  64  -5.811  -6.825  -6.548
  452   1HB   ALA  64          1HB       ALA  64  -4.392  -5.211  -5.301
  453   2HB   ALA  64          3HB       ALA  64  -5.524  -5.295  -3.942
  454   3HB   ALA  64          2HB       ALA  64  -4.609  -6.726  -4.405
  455    H    SER  65           H        SER  65  -6.584  -8.735  -5.826
  456    HA   SER  65           HA       SER  65  -9.228  -8.878  -4.611
  457   1HB   SER  65          2HB       SER  65  -7.351 -11.208  -5.145
  458   2HB   SER  65          1HB       SER  65  -9.122 -11.178  -5.205
  459    HG   SER  65           HG       SER  65  -8.791  -9.635  -7.014
  460    H    ASP  66           HN       ASP  66  -9.545 -10.501  -2.665
  461    HA   ASP  66           HA       ASP  66  -8.250  -9.529  -0.415
  462   1HB   ASP  66          2HB       ASP  66  -9.224 -11.292   0.834
  463   2HB   ASP  66          1HB       ASP  66 -10.378 -10.865  -0.433
  464    H    GLU  67           HN       GLU  67  -7.397 -12.521  -2.144
  465    HA   GLU  67           HA       GLU  67  -5.236 -13.335  -0.571
  466   1HB   GLU  67          2HB       GLU  67  -6.172 -14.723  -2.283
  467   2HB   GLU  67          1HB       GLU  67  -5.746 -13.593  -3.566
  468   1HG   GLU  67          1HG       GLU  67  -3.616 -14.897  -1.805
  469   2HG   GLU  67          2HG       GLU  67  -4.312 -15.743  -3.190
  470    H    GLU  68           HN       GLU  68  -5.238 -11.024  -3.294
  471    HA   GLU  68           HA       GLU  68  -2.463 -10.577  -3.369
  472   1HB   GLU  68          2HB       GLU  68  -4.879  -8.915  -4.222
  473   2HB   GLU  68          1HB       GLU  68  -3.218  -8.681  -4.628
  474   1HG   GLU  68          2HG       GLU  68  -4.850 -11.116  -5.454
  475   2HG   GLU  68          1HG       GLU  68  -4.620  -9.674  -6.454
  476    H    LEU  69           H        LEU  69  -5.237  -8.702  -1.867
  477    HA   LEU  69           HA       LEU  69  -3.805  -6.594  -0.874
  478   1HB   LEU  69          2HB       LEU  69  -6.226  -8.172   0.118
  479   2HB   LEU  69          1HB       LEU  69  -5.700  -6.698   0.846
  480    HG   LEU  69           HG       LEU  69  -6.704  -6.939  -2.005
  481   1HD1  LEU  69          2HD2      LEU  69  -8.467  -7.340  -0.280
  482   2HD1  LEU  69          1HD2      LEU  69  -8.031  -5.815   0.505
  483   3HD1  LEU  69          3HD2      LEU  69  -8.725  -5.811  -1.129
  484   1HD2  LEU  69          2HD1      LEU  69  -5.220  -4.945  -1.705
  485   2HD2  LEU  69          1HD1      LEU  69  -6.894  -4.545  -2.073
  486   3HD2  LEU  69          3HD1      LEU  69  -6.319  -4.378  -0.418
  487    H    LYS  70           HN       LYS  70  -4.584  -9.726   0.743
  488    HA   LYS  70           HA       LYS  70  -3.155  -9.239   3.169
  489   1HB   LYS  70          2HB       LYS  70  -3.852 -11.776   1.650
  490   2HB   LYS  70          1HB       LYS  70  -3.091 -11.787   3.257
  491   1HG   LYS  70          2HG       LYS  70  -4.972 -10.450   4.150
  492   2HG   LYS  70          1HG       LYS  70  -5.799 -10.542   2.592
  493   1HD   LYS  70          2HD       LYS  70  -5.103 -12.884   4.441
  494   2HD   LYS  70          1HD       LYS  70  -6.680 -12.123   4.231
  495   1HE   LYS  70          1HE       LYS  70  -6.918 -13.996   2.906
  496   2HE   LYS  70          2HE       LYS  70  -6.462 -12.779   1.709
  497   1HZ   LYS  70          3HZ       LYS  70  -4.679 -14.749   2.984
  498   2HZ   LYS  70          1HZ       LYS  70  -5.273 -14.835   1.452
  499   3HZ   LYS  70          2HZ       LYS  70  -4.208 -13.650   1.855
  500    H    ALA  71           H        ALA  71  -2.147 -10.878   0.126
  501    HA   ALA  71           HA       ALA  71   0.494 -11.397   0.997
  502   1HB   ALA  71          3HB       ALA  71  -0.611 -12.531  -0.907
  503   2HB   ALA  71          2HB       ALA  71  -0.598 -11.007  -1.823
  504   3HB   ALA  71          1HB       ALA  71   0.931 -11.800  -1.392
  505    H    LEU  72           H        LEU  72  -0.901  -8.342  -0.345
  506    HA   LEU  72           HA       LEU  72   1.680  -7.313  -1.046
  507   1HB   LEU  72          2HB       LEU  72  -0.497  -6.833  -2.073
  508   2HB   LEU  72          1HB       LEU  72  -1.026  -5.990  -0.622
  509    HG   LEU  72           HG       LEU  72   0.355  -4.145  -1.073
  510   1HD1  LEU  72          3HD1      LEU  72   1.938  -5.814  -3.079
  511   2HD1  LEU  72          2HD1      LEU  72   2.156  -4.088  -2.782
  512   3HD1  LEU  72          1HD1      LEU  72   2.546  -5.241  -1.506
  513   1HD2  LEU  72          2HD2      LEU  72  -1.512  -4.483  -2.710
  514   2HD2  LEU  72          3HD2      LEU  72  -0.152  -3.676  -3.493
  515   3HD2  LEU  72          1HD2      LEU  72  -0.395  -5.392  -3.737
  516    H    ALA  73           H        ALA  73  -0.568  -7.171   1.733
  517    HA   ALA  73           HA       ALA  73   0.968  -5.411   3.356
  518   1HB   ALA  73          2HB       ALA  73  -1.346  -6.169   3.813
  519   2HB   ALA  73          1HB       ALA  73  -0.741  -7.769   4.270
  520   3HB   ALA  73          3HB       ALA  73  -0.255  -6.355   5.215
  521    H    ASP  74           HN       ASP  74   0.981  -9.032   3.161
  522    HA   ASP  74           HA       ASP  74   3.095  -9.506   4.930
  523   1HB   ASP  74          1HB       ASP  74   1.739 -11.301   3.954
  524   2HB   ASP  74          2HB       ASP  74   2.432 -10.990   2.353
  525    H    TYR  75           H        TYR  75   3.317  -8.969   1.372
  526    HA   TYR  75           HA       TYR  75   6.088  -9.026   1.085
  527   1HB   TYR  75          2HB       TYR  75   4.607  -8.974  -0.799
  528   2HB   TYR  75          1HB       TYR  75   3.963  -7.402  -0.346
  529    HD1  TYR  75           HD1      TYR  75   6.862  -9.146  -1.852
  530    HD2  TYR  75           HD2      TYR  75   5.166  -5.329  -0.786
  531    HE1  TYR  75           HE1      TYR  75   8.596  -7.984  -3.201
  532    HE2  TYR  75           HE2      TYR  75   6.955  -4.182  -2.035
  533    HH   TYR  75           HH       TYR  75   8.832  -4.424  -3.340
  534    H    MET  76           H        MET  76   4.078  -6.061   1.670
  535    HA   MET  76           HA       MET  76   6.311  -4.307   2.000
  536   1HB   MET  76          1HB       MET  76   3.437  -4.175   2.970
  537   2HB   MET  76          2HB       MET  76   4.613  -2.864   3.212
  538   1HG   MET  76          1HG       MET  76   4.956  -2.710   0.774
  539   2HG   MET  76          2HG       MET  76   3.747  -3.970   0.515
  540   1HE   MET  76          3HE       MET  76   1.264  -3.742   0.932
  541   2HE   MET  76          2HE       MET  76   1.381  -3.147   2.596
  542   3HE   MET  76          1HE       MET  76   0.413  -2.262   1.409
  543    H    SER  77           H        SER  77   4.809  -6.547   4.293
  544    HA   SER  77           HA       SER  77   6.135  -5.421   6.595
  545   1HB   SER  77          2HB       SER  77   4.060  -6.841   6.584
  546   2HB   SER  77          1HB       SER  77   5.106  -8.247   6.313
  547    HG   SER  77           HG       SER  77   6.311  -7.481   8.196
  548    H    LYS  78           HN       LYS  78   7.479  -7.027   3.927
  549    HA   LYS  78           HA       LYS  78   9.879  -7.897   5.429
  550   1HB   LYS  78          1HB       LYS  78   8.276  -9.848   5.087
  551   2HB   LYS  78          2HB       LYS  78   8.326  -9.493   3.361
  552   1HG   LYS  78          1HG       LYS  78  10.934  -9.855   3.601
  553   2HG   LYS  78          2HG       LYS  78  10.549 -10.489   5.194
  554   1HD   LYS  78          1HD       LYS  78  10.758 -12.287   3.536
  555   2HD   LYS  78          2HD       LYS  78   9.122 -12.231   4.210
  556   1HE   LYS  78          1HE       LYS  78   9.299 -12.624   1.692
  557   2HE   LYS  78          2HE       LYS  78   8.200 -11.341   2.187
  558   1HZ   LYS  78          2HZ       LYS  78  10.951 -10.945   1.228
  559   2HZ   LYS  78          3HZ       LYS  78   9.574 -10.673   0.363
  560   3HZ   LYS  78          1HZ       LYS  78   9.916  -9.746   1.681
  561    H    LEU  79           H        LEU  79   9.852  -5.483   4.362
  562    HA   LEU  79           HA       LEU  79  10.857  -5.568   1.606
  563   1HB   LEU  79          1HB       LEU  79   8.426  -4.947   2.036
  564   2HB   LEU  79          2HB       LEU  79   9.002  -3.666   3.082
  565    HG   LEU  79           HG       LEU  79  10.092  -2.587   1.379
  566   1HD1  LEU  79          3HD1      LEU  79   9.323  -4.892  -0.447
  567   2HD1  LEU  79          2HD1      LEU  79   9.757  -3.301  -1.110
  568   3HD1  LEU  79          1HD1      LEU  79  10.943  -4.209  -0.170
  569   1HD2  LEU  79          3HD2      LEU  79   7.599  -2.269   1.698
  570   2HD2  LEU  79          2HD2      LEU  79   8.136  -1.804   0.074
  571   3HD2  LEU  79          1HD2      LEU  79   7.343  -3.364   0.315
  572    HHA  HEC   1           HHA      HEM   1   1.743   5.184   3.697
  573    HHB  HEC   1           HHB      HEM   1  -0.357  -0.101   0.905
  574    HHC  HEC   1           HHC      HEM   1   1.149   2.628  -4.689
  575    HHD  HEC   1           HHD      HEM   1   0.883   8.361  -1.749
  576   1HMA  HEC   1          1HMA      HEM   1   0.456  -0.573   3.263
  577   2HMA  HEC   1          2HMA      HEM   1  -1.198   0.091   3.350
  578   3HMA  HEC   1          3HMA      HEM   1  -0.077   0.333   4.693
  579   1HAA  HEC   1          1HAA      HEM   1   1.283   1.963   5.524
  580   2HAA  HEC   1          2HAA      HEM   1   2.018   3.482   5.045
  581   1HBA  HEC   1          1HBA      HEM   1  -0.529   4.329   5.002
  582   2HBA  HEC   1          2HBA      HEM   1  -0.827   2.869   5.926
  583   1HMB  HEC   1          1HMB      HEM   1  -0.672  -1.556  -0.637
  584   2HMB  HEC   1          2HMB      HEM   1   0.879  -1.936  -1.421
  585   3HMB  HEC   1          3HMB      HEM   1  -0.641  -1.835  -2.354
  586    HAB  HEC   1           HAB      HEM   1   1.022   0.570  -5.107
  587   1HBB  HEC   1          1HBB      HEM   1  -0.188  -1.610  -4.543
  588   2HBB  HEC   1          2HBB      HEM   1   1.301  -1.759  -5.469
  589   3HBB  HEC   1          3HBB      HEM   1   1.348  -2.094  -3.736
  590   1HMC  HEC   1          1HMC      HEM   1   0.327   4.398  -6.277
  591   2HMC  HEC   1          2HMC      HEM   1   2.099   4.479  -6.162
  592   3HMC  HEC   1          3HMC      HEM   1   1.172   5.918  -6.596
  593    HAC  HEC   1           HAC      HEM   1   1.707   8.617  -3.771
  594   1HBC  HEC   1          1HBC      HEM   1  -0.563   8.527  -4.762
  595   2HBC  HEC   1          2HBC      HEM   1   0.138   7.854  -6.242
  596   3HBC  HEC   1          3HBC      HEM   1   0.607   9.476  -5.712
  597   1HMD  HEC   1          1HMD      HEM   1   0.353  10.000   1.698
  598   2HMD  HEC   1          2HMD      HEM   1  -0.378   9.615   0.138
  599   3HMD  HEC   1          3HMD      HEM   1   1.371   9.953   0.254
  600   1HAD  HEC   1          1HAD      HEM   1  -0.494   8.081   3.639
  601   2HAD  HEC   1          2HAD      HEM   1   1.030   8.939   3.580
  602   1HBD  HEC   1          1HBD      HEM   1   2.110   7.018   4.814
  603   2HBD  HEC   1          2HBD      HEM   1   0.541   6.268   5.009
   
  No H/Q in entry =         603