*HEADER    SIGNALING PROTEIN                       28-DEC-17   6C0A              
*TITLE     ACTININ-1 EF-HAND BOUND TO THE CAV1.2 IQ MOTIF                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-ACTININ-1;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EF-HAND 3,4 (UNP RESIDUES 822-892);                        
*COMPND   5 SYNONYM: ALPHA-ACTININ CYTOSKELETAL ISOFORM, F-ACTIN CROSS-LINKING   
*COMPND   6 PROTEIN, NON-MUSCLE ALPHA-ACTININ-1;                                 
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL SUBUNIT ALPHA-1C; 
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 FRAGMENT: IQ MOTIF (UNP RESIDUES 1587-1609);                         
*COMPND  12 SYNONYM: CALCIUM CHANNEL, L TYPE, ALPHA-1 POLYPEPTIDE, ISOFORM 1,    
*COMPND  13 CARDIAC MUSCLE, VOLTAGE-GATED CALCIUM CHANNEL SUBUNIT ALPHA CAV1.2;  
*COMPND  14 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: ACTN1;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 866768;                                     
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  12 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ACTININ-1, EF HAND, CALCIUM CALMODULIN, NEURONAL SIGNALING, VOLTAGE   
*KEYWDS   2 GATED CALCIUM CHANNEL, CAV1.2, VOLTAGE GATED CALCIUM CHANNEL 1.2,    
*KEYWDS   3 HIPPOCAMPAL NEURONS, IQ MOTIF, SIGNALING PROTEIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    4                                                                     
*AUTHOR    M.L.TURNER,J.B.AMES                                                   
*REVDAT   1   16-JAN-19 6C0A    0                                                
# Restraints file 1: Ambiq_Restraints_15Mar16
!!!Ambiq Restraints!!

assign ( segid A and resid 886 and name HD1#)
       (
        ( segid B and resid 1658 and name HZ)
     or
        ( segid B and resid 1658 and name HE#)
     or
        ( segid B and resid 1658 and name HD#)
       )  2.0 2.0 3.0
       

assign ( segid A and resid 886 and name HD2#)
       (
        ( segid B and resid 1661 and name HD#)
     or
        ( segid B and resid 1657 and name HE#)
       )  2.0 2.0 3.0
       
assign ( segid A and resid 828 and name HA)
       (
        ( segid B and resid 1653 and name HD1#)
     or
        ( segid B and resid 1653 and name HD2#)
       )  2.0 2.0 3.0
       
assign ( segid A and resid 828 and name HG#)
       (
        ( segid B and resid 1653 and name HD1#)
     or
        ( segid B and resid 1653 and name HD2#)
       )  2.0 2.0 3.0

assign ( segid A and resid 828 and name HE2#)
       (
        ( segid B and resid 1649 and name HH
       )  2.0 2.0 3.0

assign ( segid B and resid 1658 and name HD#)
       (
        ( segid A and resid 852 and name HD1#)
     or
        ( segid A and resid 852 and name HD2#)
       )  2.0 2.0 3.0
       
assign ( segid B and resid 1658 and name HE#)
       (
        ( segid A and resid 852 and name HD1#)
     or
        ( segid A and resid 852 and name HD2#)
       )  2.0 2.0 3.0
# Restraints file 2: Docking_unambiq_15Mar16.txt
!!!Xplor NIH Convention assign (selection 1) (selection 2) d d- d+ where d is distance.


!!! segid A: aEF_Clobe
!!! segid B: Cav1.2 IQ (1-25)


!!!!  perturbation residue number
!!!!  aEF_clobe: 827,828,829,834,835,836,838,839,840,841,843,844,848,849,851,852,856,857,858,860,861,863,864,865,882,883,885,886,887,888,889
!!!!  Cav1.2:
!!!!  Flexible region
!!!!   aEF_clobe:
!!!!   Cav1.2IQ:

!!!Intramolecular NOE

!!!Alpha Helix 1!!!
assign (segid A and resid   825 and   name HA   )(segid A and resid   828 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   826 and   name HA   )(segid A and resid   829 and   name HB   )  0.0 0.0 2.5
assign (segid A and resid   827 and   name HA   )(segid A and resid   830 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   828 and   name HA   )(segid A and resid   831 and   name HB   )  0.0 0.0 2.5
assign (segid A and resid   829 and   name HA   )(segid A and resid   832 and   name HB#  )  0.0 0.0 2.5
assign (segid A and resid   830 and   name HA   )(segid A and resid   833 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   831 and   name HA   )(segid A and resid   834 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   832 and   name HA   )(segid A and resid   835 and   name HB   )  0.0 0.0 2.5
assign (segid A and resid   832 and   name HA   )(segid A and resid   835 and   name HB   )  0.0 0.0 2.5
assign (segid A and resid   833 and   name HA   )(segid A and resid   836 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   833 and   name HA   )(segid A and resid   836 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   834 and   name HA   )(segid A and resid   837 and   name HB   )  0.0 0.0 2.5

!!!Alpha Helix 2!!!
assign (segid A and resid   844 and   name HA   )(segid A and resid   847 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   846 and   name HA   )(segid A and resid   849 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   846 and   name HA   )(segid A and resid   849 and   name HD3  )  2.0 2.0 0.0
assign (segid A and resid   847 and   name HA   )(segid A and resid   850 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   847 and   name HA   )(segid A and resid   850 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   848 and   name HA   )(segid A and resid   851 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   848 and   name HA   )(segid A and resid   851 and   name HB3  )  0.0 0.0 2.5

!!!Beta Sheet 1!!! 
assign (segid A and resid   842 and   name HA   )(segid A and resid   878 and   name HA  )  0.0 0.0 2.5
assign (segid A and resid   842 and   name HN   )(segid A and resid   841 and   name HA  )  0.0 0.0 3.2
assign (segid A and resid   843 and   name HN   )(segid A and resid   842 and   name HA  )  0.0 0.0 3.2
assign (segid A and resid   843 and   name HN   )(segid A and resid   877 and   name HN  )  0.0 0.0 3.3
assign (segid A and resid   844 and   name HA   )(segid A and resid   876 and   name HA  )  0.0 0.0 2.5
assign (segid A and resid   876 and   name HA   )(segid A and resid   844 and   name HA  )  0.0 0.0 2.5
assign (segid A and resid   877 and   name HN   )(segid A and resid   843 and   name HN  )  0.0 0.0 3.3
assign (segid A and resid   878 and   name HA   )(segid A and resid   842 and   name HA  )  0.0 0.0 2.5
assign (segid A and resid   878 and   name HN   )(segid A and resid   877 and   name HA  )  0.0 0.0 3.2
assign (segid A and resid   879 and   name HN   )(segid A and resid   842 and   name HA  )  0.0 0.0 4.0
assign (segid A and resid   879 and   name HN   )(segid A and resid   878 and   name HA  )  0.0 0.0 3.2

!!!Alpha Helix 3!!!
assign (segid A and resid   855 and   name HA   )(segid A and resid   858 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   856 and   name HA   )(segid A and resid   859 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   857 and   name HA   )(segid A and resid   860 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   857 and   name HA   )(segid A and resid   860 and   name HB3  )  0.0 0.0 2.5
assign (segid A and resid   858 and   name HA   )(segid A and resid   861 and   name HB   )  0.0 0.0 2.5
assign (segid A and resid   859 and   name HA   )(segid A and resid   862 and   name HB   )  0.0 0.0 2.5
assign (segid A and resid   860 and   name HA   )(segid A and resid   863 and   name HB2  )  0.0 0.0 2.5
assign (segid A and resid   860 and   name HA   )(segid A and resid   863 and   name HB3  )  0.0 0.0 2.5


!!!Alpha Helix 4!!!
assign (segid A and resid   881 and   name HA   )(segid A and resid   884 and   name HB  )  0.0 0.0 2.5
assign (segid A and resid   882 and   name HA   )(segid A and resid   885 and   name HB  )  0.0 0.0 2.5
assign (segid A and resid   883 and   name HA   )(segid A and resid   886 and   name HB# )  0.0 0.0 2.5
assign (segid A and resid   884 and   name HA   )(segid A and resid   887 and   name HB# )  0.0 0.0 2.5

!!!Tertiary Structure!!!
!!!Loop Interaction with Beta Sheet!!!
assign (segid A and resid   867 and   name HN  )(segid A and resid   878 and   name HN  )  2.0 2.0 0.0
assign (segid A and resid   867 and   name HB2 )(segid A and resid   877 and   name HG  )  2.0 2.0 0.0
assign (segid A and resid   867 and   name HB3 )(segid A and resid   877 and   name HG  )  2.0 2.0 0.0
assign (segid A and resid   868 and   name HB  )(segid A and resid   877 and   name HG  )  2.0 2.0 0.0
assign (segid A and resid   869 and   name HA2 )(segid A and resid   867 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   869 and   name HA3 )(segid A and resid   867 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   872 and   name HA  )(segid A and resid   867 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   872 and   name HB# )(segid A and resid   867 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   873 and   name HG1#)(segid A and resid   867 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   873 and   name HG2#)(segid A and resid   842 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   873 and   name HG2#)(segid A and resid   867 and   name HD# )  2.0 2.0 0.0
assign (segid A and resid   878 and   name HN  )(segid A and resid   867 and   name HN  )  2.0 2.0 0.0
assign (segid A and resid   878 and   name HN  )(segid A and resid   867 and   name HD# )  2.0 2.0 0.0

!!!Long Range NOE!!!
assign (segid A and resid   882 and   name HA  )(segid A and resid   864 and   name HG# )  2.0 2.0 3.0
assign (segid A and resid   882 and   name HB# )(segid A and resid   864 and   name HG# )  2.0 2.0 3.0
assign (segid A and resid   882 and   name HB# )(segid A and resid   864 and   name HE  )  2.0 2.0 3.0
assign (segid A and resid   885 and   name HB  )(segid A and resid   863 and   name HD# )  2.0 2.0 3.0
assign (segid A and resid   836 and   name HD2#)(segid A and resid   833 and   name HD# )  2.0 2.0 3.0
assign (segid A and resid   826 and   name HB  )(segid A and resid   887 and   name HD# )  2.0 2.0 3.0

!!!Intermolecular NOE 
assign (segid A and resid   833 and name HD# ) (segid B and resid   1654 and name HD1#  )  2.0 2.0 3.0
assign (segid A and resid   836 and name HD2#) (segid B and resid   1654 and name HD1#  )  2.0 2.0 3.0
assign (segid A and resid   833 and name HD# ) (segid B and resid   1654 and name HG2#  )  2.0 2.0 3.0
assign (segid A and resid   847 and name OE# ) (segid B and resid   1647 and name HZ#   )  2.0 2.0 0.0
assign (segid A and resid   851 and name OE# ) (segid B and resid   1647 and name HZ#   )  2.0 2.0 0.0
assign (segid A and resid   835 and name HD1#) (segid B and resid   1650 and name HB#   )  2.0 2.0 3.0

!!!Intermolecular NOE (March 15 2016)

assign (segid A and resid   886 and name HD1#) (segid B and resid   1657 and name HD#   )  2.0 2.0 3.0
assign (segid A and resid   886 and name HD1#) (segid B and resid   1657 and name HE#   )  2.0 2.0 3.0
assign (segid A and resid   886 and name HD1#) (segid B and resid   1658 and name HD#   )  2.0 2.0 3.0
assign (segid A and resid   886 and name HD2#) (segid B and resid   1658 and name HD#   )  2.0 2.0 3.0
assign (segid A and resid   886 and name HD2#) (segid B and resid   1658 and name HE#   )  2.0 2.0 3.0
assign (segid A and resid   886 and name HD1#) (segid B and resid   1661 and name HE#   )  2.0 2.0 3.0





# Restraints file 3: aEF_RDC_Final.txt
DATA SEQUENCE	DTADQVMASFKILAGDKNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL
DATA SEQUENCE	TVGKFYATFLIQEYFRKFKKRKEQG																																		
																																				
																																									
VARS			RESID_I	RESNAME_I	ATOMNAME_I	RESID_J	RESNAME_J	ATOMNAME_J	D						DD				W																						
FORMAT	%5d					%6s							%6s								%5d					%6s							%6s				%9.3f			%9.3f	%.2f
824	ASP	N	824	ASP	HN	-1.950	1	1																																	
825	THR	N	825	THR	HN	2.520	1	1																																	
826	ALA	N	826	ALA	HN	-7.470	1	1																																	
827	ASP	N	827	ASP	HN	-7.780	1	1																																	
829	VAL	N	829	VAL	HN	-12.480	1	1																																																																
833	PHE	N	833	PHE	HN	-13.280	1	1																																	
834	LYS	N	834	LYS	HN	-15.090	1	1																																	
835	ILE	N	835	ILE	HN	-0.330	1	1																																	
837	ALA	N	837	ALA	HN	-11.150	1	1																																	
839	ASP	N	839	ASP	HN	14.100	1	1																																	
844	THR	N	844	THR	HN	6.240	1	1																																	
845	MET	N	845	MET	HN	14.040	1	1																																	
846	ASP	N	846	ASP	HN	8.030	1	1																																	
849	ARG	N	849	ARG	HN	9.660	1	1																																	
851	GLU	N	851	GLU	HN	17.860	1	1																																	
856	GLN	N	856	GLN	HN	3.650	1	1																																	
857	ALA	N	857	ALA	HN	6.820	1	1																																	
858	GLU	N	858	GLU	HN	9.130	1	1																																	
859	TYR	N	859	TYR	HN	15.640	1	1																																	
860	CYS	N	860	CYS	HN	7.060	1	1																																	
862	ALA	N	862	ALA	HN	12.490	1	1																																	
863	ARG	N	863	ARG	HN	7.220	1	1																																	
865	ALA	N	865	ALA	HN	1.700	1	1																																	
867	TYR	N	867	TYR	HN	-1.020	1	1																																	
868	THR	N	868	THR	HN	7.700	1	1																																	
871	ASP	N	871	ASP	HN	-8.430	1	1																																	
872	SER	N	872	SER	HN	8.760	1	1																																	
873	VAL	N	873	VAL	HN	-10.780	1	1																																	
875	GLY	N	875	GLY	HN	8.920	1	1																																	
879	TYR	N	879	TYR	HN	-14.510	1	1																																	
880	MET	N	880	MET	HN	-4.770	1	1																																	
881	SER	N	881	SER	HN	-11.100	1	1																																	
888	GLY	N	888	GLY	HN	-1.050	1	1																																	
890	SER	N	890	SER	HN	0.730	1	1																																	
1654	ILE	N	1654	ILE	HN	-14.680	1	1																																	
1658	PHE	N	1658	PHE	HN	-19.690	1	1
# Restraints file 4: aEFclobe_IQ_Hbonds
!!!!Hydrogen Bonding Restraints

!!!aEF_Clobe
!!!Alpha Helix 1!!!
assign (segid A and resid   825 and   name O    )(segid A and resid   829 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   825 and   name O    )(segid A and resid   829 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   826 and   name O    )(segid A and resid   830 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   826 and   name O    )(segid A and resid   830 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   827 and   name O    )(segid A and resid   831 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   827 and   name O    )(segid A and resid   831 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   828 and   name O    )(segid A and resid   832 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   828 and   name O    )(segid A and resid   832 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   829 and   name O    )(segid A and resid   833 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   829 and   name O    )(segid A and resid   833 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   830 and   name O    )(segid A and resid   834 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   830 and   name O    )(segid A and resid   834 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   831 and   name O    )(segid A and resid   835 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   831 and   name O    )(segid A and resid   835 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   832 and   name O    )(segid A and resid   836 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   832 and   name O    )(segid A and resid   836 and   name HN   )  0.0 0.0 2.3


!!BetaSheet!!  What should the distance for beta sheets be????
assign (segid A and resid   843 and   name O    )(segid A and resid   877 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   877 and   name O    )(segid A and resid   843 and   name HN   )  0.0 0.0 2.3

!!Alpha Helix 2!!!
assign (segid A and resid   844 and   name O    )(segid A and resid   848 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   844 and   name O    )(segid A and resid   848 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   845 and   name O    )(segid A and resid   849 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   845 and   name O    )(segid A and resid   849 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   846 and   name O    )(segid A and resid   850 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   846 and   name O    )(segid A and resid   850 and   name HN   )  0.0 0.0 2.3

!!Alpha Helix 3!!!
assign (segid A and resid   855 and   name O    )(segid A and resid   859 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   855 and   name O    )(segid A and resid   859 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   856 and   name O    )(segid A and resid   860 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   856 and   name O    )(segid A and resid   860 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   857 and   name O    )(segid A and resid   861 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   857 and   name O    )(segid A and resid   861 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   858 and   name O    )(segid A and resid   862 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   858 and   name O    )(segid A and resid   862 and   name HN   )  0.0 0.0 2.3

!!Alpha Helix 4!!
assign (segid A and resid   881 and   name O    )(segid A and resid   885 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   881 and   name O    )(segid A and resid   885 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   882 and   name O    )(segid A and resid   886 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   882 and   name O    )(segid A and resid   886 and   name HN   )  0.0 0.0 2.3
assign (segid A and resid   883 and   name O    )(segid A and resid   887 and   name N    )  0.0 0.0 3.3
assign (segid A and resid   883 and   name O    )(segid A and resid   887 and   name HN   )  0.0 0.0 2.3


!!!IQ Helix (NMR Based Result via CSI) 
assign (segid B and resid   1647 and   name O    )(segid B and resid   1651 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1647 and   name O    )(segid B and resid   1651 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1648 and   name O    )(segid B and resid   1652 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1648 and   name O    )(segid B and resid   1652 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1649 and   name O    )(segid B and resid   1653 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1649 and   name O    )(segid B and resid   1653 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1650 and   name O    )(segid B and resid   1654 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1650 and   name O    )(segid B and resid   1654 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1651 and   name O    )(segid B and resid   1655 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1651 and   name O    )(segid B and resid   1655 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1652 and   name O    )(segid B and resid   1656 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1652 and   name O    )(segid B and resid   1656 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1653 and   name O    )(segid B and resid   1657 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1653 and   name O    )(segid B and resid   1657 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1654 and   name O    )(segid B and resid   1658 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1654 and   name O    )(segid B and resid   1658 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1655 and   name O    )(segid B and resid   1659 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1655 and   name O    )(segid B and resid   1659 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1656 and   name O    )(segid B and resid   1660 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1656 and   name O    )(segid B and resid   1660 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1657 and   name O    )(segid B and resid   1661 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1657 and   name O    )(segid B and resid   1661 and   name HN   )  0.0 0.0 2.3
assign (segid B and resid   1658 and   name O    )(segid B and resid   1662 and   name N    )  0.0 0.0 3.3
assign (segid B and resid   1658 and   name O    )(segid B and resid   1662 and   name HN   )  0.0 0.0 2.3




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP 822           HT1      ASP 822 -14.302  -9.348  -4.052
    2    H2   ASP 822           HT2      ASP 822 -14.751  -7.793  -3.552
    3    H3   ASP 822           HT3      ASP 822 -14.042  -8.021  -5.069
    4    HA   ASP 822           HA       ASP 822 -15.934  -9.348  -5.774
    5    HB2  ASP 822           HB2      ASP 822 -16.571 -10.118  -3.516
    6    HB3  ASP 822           HB1      ASP 822 -17.116  -8.501  -3.128
    7    H    THR 823           HN       THR 823 -17.232  -6.718  -3.743
    8    HA   THR 823           HA       THR 823 -17.917  -5.268  -6.207
    9    HB   THR 823           HB       THR 823 -18.876  -4.055  -3.737
   10    HG1  THR 823           HG1      THR 823 -19.361  -6.824  -4.205
   11   HG21  THR 823          HG21      THR 823 -20.505  -5.331  -5.918
   12   HG22  THR 823          HG22      THR 823 -19.676  -3.796  -6.151
   13   HG23  THR 823          HG23      THR 823 -20.914  -3.950  -4.897
   14    H    ASP 824           HN       ASP 824 -15.434  -5.411  -4.213
   15    HA   ASP 824           HA       ASP 824 -14.911  -2.543  -3.975
   16    HB2  ASP 824           HB2      ASP 824 -13.045  -3.268  -2.530
   17    HB3  ASP 824           HB1      ASP 824 -14.574  -3.945  -1.980
   18    H    THR 825           HN       THR 825 -12.143  -2.620  -4.019
   19    HA   THR 825           HA       THR 825 -11.412  -3.652  -6.667
   20    HB   THR 825           HB       THR 825 -10.518  -0.901  -5.814
   21    HG1  THR 825           HG1      THR 825 -12.977  -1.621  -7.060
   22   HG21  THR 825          HG21      THR 825 -10.757  -2.364  -8.440
   23   HG22  THR 825          HG22      THR 825  -9.306  -1.726  -7.672
   24   HG23  THR 825          HG23      THR 825 -10.496  -0.622  -8.359
   25    H    ALA 826           HN       ALA 826 -10.902  -4.150  -3.669
   26    HA   ALA 826           HA       ALA 826  -8.030  -3.670  -3.436
   27    HB1  ALA 826           HB1      ALA 826  -9.787  -5.229  -1.540
   28    HB2  ALA 826           HB2      ALA 826  -9.538  -3.494  -1.430
   29    HB3  ALA 826           HB3      ALA 826  -8.177  -4.593  -1.219
   30    H    ASP 827           HN       ASP 827 -10.335  -6.274  -3.797
   31    HA   ASP 827           HA       ASP 827  -8.553  -8.448  -3.943
   32    HB2  ASP 827           HB2      ASP 827 -10.822  -9.019  -3.748
   33    HB3  ASP 827           HB1      ASP 827 -11.315  -7.891  -5.000
   34    H    GLN 828           HN       GLN 828  -9.651  -6.130  -6.326
   35    HA   GLN 828           HA       GLN 828  -8.476  -7.406  -8.567
   36    HB2  GLN 828           HB2      GLN 828  -9.517  -4.615  -8.083
   37    HB3  GLN 828           HB1      GLN 828  -8.809  -5.097  -9.620
   38    HG2  GLN 828           HG2      GLN 828 -11.238  -6.314  -8.303
   39    HG3  GLN 828           HG1      GLN 828 -11.221  -5.241  -9.699
   40   HE21  GLN 828          HE21      GLN 828 -10.644  -8.473  -8.551
   41   HE22  GLN 828          HE22      GLN 828 -10.461  -9.197 -10.117
   42    H    VAL 829           HN       VAL 829  -7.493  -4.685  -6.504
   43    HA   VAL 829           HA       VAL 829  -5.054  -4.122  -7.767
   44    HB   VAL 829           HB       VAL 829  -5.967  -3.713  -4.915
   45   HG11  VAL 829          HG11      VAL 829  -3.998  -2.061  -4.849
   46   HG12  VAL 829          HG12      VAL 829  -3.321  -3.029  -6.158
   47   HG13  VAL 829          HG13      VAL 829  -3.662  -3.767  -4.600
   48   HG21  VAL 829          HG21      VAL 829  -5.937  -1.307  -5.692
   49   HG22  VAL 829          HG22      VAL 829  -7.152  -2.346  -6.435
   50   HG23  VAL 829          HG23      VAL 829  -5.687  -1.930  -7.324
   51    H    MET 830           HN       MET 830  -5.879  -6.428  -5.211
   52    HA   MET 830           HA       MET 830  -3.292  -7.292  -4.584
   53    HB2  MET 830           HB2      MET 830  -6.009  -8.557  -4.378
   54    HB3  MET 830           HB1      MET 830  -4.574  -9.480  -3.984
   55    HG2  MET 830           HG2      MET 830  -5.170  -6.819  -2.756
   56    HG3  MET 830           HG1      MET 830  -5.751  -8.336  -2.064
   57    HE1  MET 830           HE1      MET 830  -3.790 -10.435  -1.997
   58    HE2  MET 830           HE2      MET 830  -4.351  -9.794  -0.452
   59    HE3  MET 830           HE3      MET 830  -2.630 -10.065  -0.724
   60    H    ALA 831           HN       ALA 831  -5.635  -8.633  -6.906
   61    HA   ALA 831           HA       ALA 831  -4.002 -10.667  -7.922
   62    HB1  ALA 831           HB1      ALA 831  -6.397 -10.545  -8.373
   63    HB2  ALA 831           HB2      ALA 831  -5.470 -10.655  -9.875
   64    HB3  ALA 831           HB3      ALA 831  -6.137  -9.106  -9.360
   65    H    SER 832           HN       SER 832  -4.334  -7.274  -8.823
   66    HA   SER 832           HA       SER 832  -2.601  -7.399 -11.068
   67    HB2  SER 832           HB2      SER 832  -3.449  -5.050  -9.349
   68    HB3  SER 832           HB1      SER 832  -2.629  -4.916 -10.901
   69    HG   SER 832           HG       SER 832  -5.167  -6.102 -10.434
   70    H    PHE 833           HN       PHE 833  -2.096  -6.753  -7.634
   71    HA   PHE 833           HA       PHE 833   0.598  -5.923  -7.891
   72    HB2  PHE 833           HB2      PHE 833  -1.228  -6.278  -5.762
   73    HB3  PHE 833           HB1      PHE 833   0.157  -7.310  -5.406
   74    HD1  PHE 833           HD1      PHE 833   2.420  -6.346  -5.229
   75    HD2  PHE 833           HD2      PHE 833  -1.039  -3.893  -5.632
   76    HE1  PHE 833           HE1      PHE 833   3.707  -4.400  -4.463
   77    HE2  PHE 833           HE2      PHE 833   0.253  -1.950  -4.863
   78    HZ   PHE 833           HZ       PHE 833   2.632  -2.199  -4.284
   79    H    LYS 834           HN       LYS 834  -0.831  -9.037  -6.939
   80    HA   LYS 834           HA       LYS 834   1.321 -10.645  -6.912
   81    HB2  LYS 834           HB2      LYS 834  -1.496 -11.021  -7.520
   82    HB3  LYS 834           HB1      LYS 834  -0.483 -12.184  -8.365
   83    HG2  LYS 834           HG2      LYS 834  -0.621 -11.704  -5.391
   84    HG3  LYS 834           HG1      LYS 834  -1.188 -13.127  -6.274
   85    HD2  LYS 834           HD2      LYS 834   1.336 -13.184  -7.082
   86    HD3  LYS 834           HD1      LYS 834   1.586 -12.285  -5.582
   87    HE2  LYS 834           HE2      LYS 834   1.890 -14.601  -5.087
   88    HE3  LYS 834           HE1      LYS 834   0.355 -14.093  -4.388
   89    HZ1  LYS 834           HZ1      LYS 834   0.776 -15.683  -6.860
   90    HZ2  LYS 834           HZ2      LYS 834  -0.727 -15.028  -6.426
   91    HZ3  LYS 834           HZ3      LYS 834   0.014 -16.180  -5.427
   92    H    ILE 835           HN       ILE 835  -0.416  -9.678  -9.917
   93    HA   ILE 835           HA       ILE 835   1.377 -11.013 -11.638
   94    HB   ILE 835           HB       ILE 835  -0.632  -8.794 -12.081
   95   HG12  ILE 835          HG12      ILE 835  -0.703 -11.664 -13.016
   96   HG13  ILE 835          HG11      ILE 835  -1.319 -11.180 -11.445
   97   HG21  ILE 835          HG21      ILE 835   1.007 -10.308 -14.143
   98   HG22  ILE 835          HG22      ILE 835   1.080  -8.580 -13.792
   99   HG23  ILE 835          HG23      ILE 835  -0.377  -9.268 -14.509
  100   HD11  ILE 835          HD11      ILE 835  -3.100 -11.345 -13.068
  101   HD12  ILE 835          HD12      ILE 835  -2.296 -10.173 -14.104
  102   HD13  ILE 835          HD13      ILE 835  -2.907  -9.684 -12.524
  103    H    LEU 836           HN       LEU 836   1.335  -7.817 -10.216
  104    HA   LEU 836           HA       LEU 836   3.203  -6.503 -11.827
  105    HB2  LEU 836           HB2      LEU 836   1.708  -5.640  -9.882
  106    HB3  LEU 836           HB1      LEU 836   3.047  -6.093  -8.855
  107    HG   LEU 836           HG       LEU 836   4.431  -4.586 -10.514
  108   HD11  LEU 836          HD11      LEU 836   1.649  -3.432 -10.711
  109   HD12  LEU 836          HD12      LEU 836   2.547  -4.183 -12.030
  110   HD13  LEU 836          HD13      LEU 836   3.131  -2.685 -11.307
  111   HD21  LEU 836          HD21      LEU 836   4.190  -2.763  -8.980
  112   HD22  LEU 836          HD22      LEU 836   4.078  -4.273  -8.065
  113   HD23  LEU 836          HD23      LEU 836   2.619  -3.361  -8.448
  114    H    ALA 837           HN       ALA 837   3.676  -8.402  -8.864
  115    HA   ALA 837           HA       ALA 837   6.555  -8.222  -9.037
  116    HB1  ALA 837           HB1      ALA 837   6.578  -9.577  -7.050
  117    HB2  ALA 837           HB2      ALA 837   4.870  -9.982  -7.267
  118    HB3  ALA 837           HB3      ALA 837   5.343  -8.323  -6.881
  119    H    GLY 838           HN       GLY 838   4.065 -10.529  -9.919
  120    HA2  GLY 838           HA2      GLY 838   4.444 -12.111 -11.683
  121    HA3  GLY 838           HA1      GLY 838   6.139 -12.160 -11.226
  122    H    ASP 839           HN       ASP 839   2.931 -12.800  -9.888
  123    HA   ASP 839           HA       ASP 839   2.129 -14.321  -8.415
  124    HB2  ASP 839           HB2      ASP 839   2.786 -15.744 -10.445
  125    HB3  ASP 839           HB1      ASP 839   4.159 -16.278  -9.479
  126    H    LYS 840           HN       LYS 840   4.076 -12.657  -7.336
  127    HA   LYS 840           HA       LYS 840   5.299 -14.445  -5.347
  128    HB2  LYS 840           HB2      LYS 840   6.317 -11.740  -6.276
  129    HB3  LYS 840           HB1      LYS 840   7.054 -12.745  -5.038
  130    HG2  LYS 840           HG2      LYS 840   7.642 -14.421  -6.616
  131    HG3  LYS 840           HG1      LYS 840   6.675 -13.659  -7.870
  132    HD2  LYS 840           HD2      LYS 840   8.207 -11.643  -7.610
  133    HD3  LYS 840           HD1      LYS 840   9.259 -12.710  -6.679
  134    HE2  LYS 840           HE2      LYS 840   9.338 -14.258  -8.593
  135    HE3  LYS 840           HE1      LYS 840   8.353 -13.121  -9.521
  136    HZ1  LYS 840           HZ1      LYS 840  10.092 -11.512  -9.416
  137    HZ2  LYS 840           HZ2      LYS 840  10.768 -12.971  -9.950
  138    HZ3  LYS 840           HZ3      LYS 840  10.999 -12.470  -8.351
  139    H    ASN 841           HN       ASN 841   4.888 -14.039  -3.238
  140    HA   ASN 841           HA       ASN 841   2.778 -12.163  -2.637
  141    HB2  ASN 841           HB2      ASN 841   3.354 -14.595  -1.643
  142    HB3  ASN 841           HB1      ASN 841   4.160 -13.606  -0.440
  143   HD21  ASN 841          HD21      ASN 841   2.899 -12.176   0.829
  144   HD22  ASN 841          HD22      ASN 841   1.201 -12.446   1.023
  145    H    TYR 842           HN       TYR 842   5.983 -11.901  -2.978
  146    HA   TYR 842           HA       TYR 842   6.123  -9.573  -1.191
  147    HB2  TYR 842           HB2      TYR 842   8.677 -10.999  -1.722
  148    HB3  TYR 842           HB1      TYR 842   8.126 -10.181  -0.265
  149    HD1  TYR 842           HD1      TYR 842   8.788 -13.298  -1.749
  150    HD2  TYR 842           HD2      TYR 842   6.228 -11.416   1.072
  151    HE1  TYR 842           HE1      TYR 842   8.270 -15.492  -0.762
  152    HE2  TYR 842           HE2      TYR 842   5.707 -13.600   2.073
  153    HH   TYR 842           HH       TYR 842   6.498 -15.785   2.207
  154    H    ILE 843           HN       ILE 843   7.285  -7.827  -2.057
  155    HA   ILE 843           HA       ILE 843   8.178  -8.131  -4.836
  156    HB   ILE 843           HB       ILE 843   5.868  -7.203  -4.836
  157   HG12  ILE 843          HG12      ILE 843   7.994  -5.264  -5.783
  158   HG13  ILE 843          HG11      ILE 843   7.447  -6.685  -6.663
  159   HG21  ILE 843          HG21      ILE 843   5.530  -4.868  -4.078
  160   HG22  ILE 843          HG22      ILE 843   7.129  -4.917  -3.350
  161   HG23  ILE 843          HG23      ILE 843   5.869  -5.989  -2.763
  162   HD11  ILE 843          HD11      ILE 843   5.820  -4.239  -6.012
  163   HD12  ILE 843          HD12      ILE 843   5.189  -5.683  -6.800
  164   HD13  ILE 843          HD13      ILE 843   6.430  -4.722  -7.586
  165    H    THR 844           HN       THR 844   9.675  -6.528  -5.533
  166    HA   THR 844           HA       THR 844  11.610  -5.895  -3.552
  167    HB   THR 844           HB       THR 844  12.193  -4.411  -5.862
  168    HG1  THR 844           HG1      THR 844  11.079  -6.969  -6.445
  169   HG21  THR 844          HG21      THR 844  13.906  -6.130  -6.188
  170   HG22  THR 844          HG22      THR 844  13.069  -7.187  -5.057
  171   HG23  THR 844          HG23      THR 844  13.785  -5.678  -4.488
  172    H    MET 845           HN       MET 845  12.115  -3.987  -2.620
  173    HA   MET 845           HA       MET 845  10.010  -2.135  -2.159
  174    HB2  MET 845           HB2      MET 845  11.780  -0.802  -0.965
  175    HB3  MET 845           HB1      MET 845  11.560  -2.451  -0.405
  176    HG2  MET 845           HG2      MET 845  13.514  -3.122  -1.757
  177    HG3  MET 845           HG1      MET 845  13.774  -1.434  -2.176
  178    HE1  MET 845           HE1      MET 845  12.643  -2.774   1.489
  179    HE2  MET 845           HE2      MET 845  14.250  -3.277   2.013
  180    HE3  MET 845           HE3      MET 845  13.500  -4.041   0.606
  181    H    ASP 846           HN       ASP 846  12.944  -1.977  -4.146
  182    HA   ASP 846           HA       ASP 846  12.422   0.736  -4.924
  183    HB2  ASP 846           HB2      ASP 846  14.683  -0.637  -4.925
  184    HB3  ASP 846           HB1      ASP 846  14.186  -1.047  -6.565
  185    H    GLU 847           HN       GLU 847  11.533  -2.405  -6.180
  186    HA   GLU 847           HA       GLU 847  10.817  -1.607  -8.794
  187    HB2  GLU 847           HB2      GLU 847  10.648  -3.979  -7.214
  188    HB3  GLU 847           HB1      GLU 847   9.081  -3.685  -7.940
  189    HG2  GLU 847           HG2      GLU 847  11.623  -3.709  -9.535
  190    HG3  GLU 847           HG1      GLU 847  10.671  -5.156  -9.227
  191    H    LEU 848           HN       LEU 848   8.891  -1.937  -5.809
  192    HA   LEU 848           HA       LEU 848   6.496  -1.006  -7.002
  193    HB2  LEU 848           HB2      LEU 848   5.524  -1.134  -4.877
  194    HB3  LEU 848           HB1      LEU 848   6.770  -2.361  -4.850
  195    HG   LEU 848           HG       LEU 848   8.067  -0.141  -3.845
  196   HD11  LEU 848          HD11      LEU 848   6.030   1.134  -3.669
  197   HD12  LEU 848          HD12      LEU 848   6.574   0.673  -2.056
  198   HD13  LEU 848          HD13      LEU 848   5.231  -0.188  -2.813
  199   HD21  LEU 848          HD21      LEU 848   6.615  -2.247  -2.249
  200   HD22  LEU 848          HD22      LEU 848   8.051  -1.340  -1.772
  201   HD23  LEU 848          HD23      LEU 848   8.141  -2.509  -3.095
  202    H    ARG 849           HN       ARG 849   9.254   0.560  -5.564
  203    HA   ARG 849           HA       ARG 849   8.043   3.145  -5.301
  204    HB2  ARG 849           HB2      ARG 849  10.030   2.476  -3.976
  205    HB3  ARG 849           HB1      ARG 849  10.973   2.384  -5.454
  206    HG2  ARG 849           HG2      ARG 849  11.045   4.682  -5.704
  207    HG3  ARG 849           HG1      ARG 849   9.625   4.945  -4.693
  208    HD2  ARG 849           HD2      ARG 849  11.756   5.604  -3.598
  209    HD3  ARG 849           HD1      ARG 849  10.862   4.360  -2.716
  210    HE   ARG 849           HE       ARG 849  12.988   3.512  -4.538
  211   HH11  ARG 849          HH11      ARG 849  11.908   3.991  -1.228
  212   HH12  ARG 849          HH12      ARG 849  13.153   2.984  -0.547
  213   HH21  ARG 849          HH21      ARG 849  14.560   2.125  -3.672
  214   HH22  ARG 849          HH22      ARG 849  14.660   1.919  -1.948
  215    H    ARG 850           HN       ARG 850   9.287   1.303  -7.858
  216    HA   ARG 850           HA       ARG 850   9.783   3.560  -9.596
  217    HB2  ARG 850           HB2      ARG 850  10.373   0.724  -9.604
  218    HB3  ARG 850           HB1      ARG 850   9.707   1.230 -11.147
  219    HG2  ARG 850           HG2      ARG 850  12.127   1.347 -11.159
  220    HG3  ARG 850           HG1      ARG 850  11.419   2.953 -11.344
  221    HD2  ARG 850           HD2      ARG 850  12.077   2.018  -8.601
  222    HD3  ARG 850           HD1      ARG 850  13.401   2.495  -9.662
  223    HE   ARG 850           HE       ARG 850  11.420   4.477  -9.739
  224   HH11  ARG 850          HH11      ARG 850  13.986   4.596  -6.658
  225   HH12  ARG 850          HH12      ARG 850  13.775   3.120  -7.543
  226   HH21  ARG 850          HH21      ARG 850  11.678   6.421  -8.585
  227   HH22  ARG 850          HH22      ARG 850  12.782   6.485  -7.251
  228    H    GLU 851           HN       GLU 851   7.279   1.358  -8.810
  229    HA   GLU 851           HA       GLU 851   5.685   2.042 -11.152
  230    HB2  GLU 851           HB2      GLU 851   5.205   0.198  -8.816
  231    HB3  GLU 851           HB1      GLU 851   3.969   0.535 -10.021
  232    HG2  GLU 851           HG2      GLU 851   6.621  -0.826 -10.404
  233    HG3  GLU 851           HG1      GLU 851   5.011  -1.491 -10.651
  234    H    LEU 852           HN       LEU 852   5.421   2.350  -7.621
  235    HA   LEU 852           HA       LEU 852   3.231   4.265  -7.972
  236    HB2  LEU 852           HB2      LEU 852   4.355   2.839  -5.558
  237    HB3  LEU 852           HB1      LEU 852   3.111   4.067  -5.450
  238    HG   LEU 852           HG       LEU 852   2.799   1.511  -7.023
  239   HD11  LEU 852          HD11      LEU 852   2.974   0.809  -4.796
  240   HD12  LEU 852          HD12      LEU 852   1.244   0.942  -5.089
  241   HD13  LEU 852          HD13      LEU 852   2.085   2.207  -4.190
  242   HD21  LEU 852          HD21      LEU 852   0.430   2.098  -6.987
  243   HD22  LEU 852          HD22      LEU 852   1.379   3.351  -7.778
  244   HD23  LEU 852          HD23      LEU 852   0.798   3.591  -6.128
  245    HA   PRO 853           HA       PRO 853   5.769   7.802  -7.317
  246    HB2  PRO 853           HB2      PRO 853   4.088   9.281  -5.677
  247    HB3  PRO 853           HB1      PRO 853   3.988   9.234  -7.443
  248    HG2  PRO 853           HG2      PRO 853   2.365   7.777  -5.414
  249    HG3  PRO 853           HG1      PRO 853   1.879   8.460  -6.981
  250    HD2  PRO 853           HD2      PRO 853   2.269   5.816  -6.635
  251    HD3  PRO 853           HD1      PRO 853   2.631   6.636  -8.164
  252    HA   PRO 854           HA       PRO 854   8.237   7.127  -3.713
  253    HB2  PRO 854           HB2      PRO 854   8.039  10.100  -3.461
  254    HB3  PRO 854           HB1      PRO 854   9.466   9.057  -3.357
  255    HG2  PRO 854           HG2      PRO 854   8.927  10.449  -5.572
  256    HG3  PRO 854           HG1      PRO 854   9.676   8.847  -5.625
  257    HD2  PRO 854           HD2      PRO 854   6.968   9.657  -6.424
  258    HD3  PRO 854           HD1      PRO 854   7.904   8.215  -6.886
  259    H    ASP 855           HN       ASP 855   5.664   9.565  -3.390
  260    HA   ASP 855           HA       ASP 855   5.467   9.582  -0.600
  261    HB2  ASP 855           HB2      ASP 855   3.132   9.931  -2.487
  262    HB3  ASP 855           HB1      ASP 855   3.352  10.657  -0.897
  263    H    GLN 856           HN       GLN 856   3.569   7.731  -2.949
  264    HA   GLN 856           HA       GLN 856   2.086   6.326  -0.940
  265    HB2  GLN 856           HB2      GLN 856   2.109   6.509  -3.846
  266    HB3  GLN 856           HB1      GLN 856   1.845   4.865  -3.280
  267    HG2  GLN 856           HG2      GLN 856  -0.253   6.079  -3.663
  268    HG3  GLN 856           HG1      GLN 856  -0.060   5.609  -1.971
  269   HE21  GLN 856          HE21      GLN 856  -0.293   8.203  -4.212
  270   HE22  GLN 856          HE22      GLN 856  -0.326   9.496  -3.063
  271    H    ALA 857           HN       ALA 857   4.736   5.610  -3.110
  272    HA   ALA 857           HA       ALA 857   5.177   2.940  -2.521
  273    HB1  ALA 857           HB1      ALA 857   7.463   3.318  -3.327
  274    HB2  ALA 857           HB2      ALA 857   7.181   5.062  -3.241
  275    HB3  ALA 857           HB3      ALA 857   6.251   4.070  -4.367
  276    H    GLU 858           HN       GLU 858   6.584   5.820  -0.913
  277    HA   GLU 858           HA       GLU 858   8.186   4.296   0.863
  278    HB2  GLU 858           HB2      GLU 858   7.172   7.143   0.975
  279    HB3  GLU 858           HB1      GLU 858   8.076   6.440   2.308
  280    HG2  GLU 858           HG2      GLU 858   9.075   6.642  -0.523
  281    HG3  GLU 858           HG1      GLU 858   9.487   7.745   0.789
  282    H    TYR 859           HN       TYR 859   4.896   5.612   1.136
  283    HA   TYR 859           HA       TYR 859   4.427   4.787   3.780
  284    HB2  TYR 859           HB2      TYR 859   2.902   6.325   2.659
  285    HB3  TYR 859           HB1      TYR 859   2.477   5.086   1.484
  286    HD1  TYR 859           HD1      TYR 859   2.534   5.422   5.232
  287    HD2  TYR 859           HD2      TYR 859   0.421   4.098   1.774
  288    HE1  TYR 859           HE1      TYR 859   0.662   4.704   6.653
  289    HE2  TYR 859           HE2      TYR 859  -1.443   3.372   3.198
  290    HH   TYR 859           HH       TYR 859  -1.814   4.299   6.397
  291    H    CYS 860           HN       CYS 860   3.943   3.128   0.676
  292    HA   CYS 860           HA       CYS 860   2.776   0.790   1.702
  293    HB2  CYS 860           HB2      CYS 860   4.395   1.265  -0.814
  294    HB3  CYS 860           HB1      CYS 860   3.622  -0.272  -0.433
  295    HG   CYS 860           HG       CYS 860   1.017   0.899  -0.362
  296    H    ILE 861           HN       ILE 861   6.162   1.589   0.999
  297    HA   ILE 861           HA       ILE 861   7.326  -0.850   1.666
  298    HB   ILE 861           HB       ILE 861   8.350   1.979   1.807
  299   HG12  ILE 861          HG12      ILE 861   9.178  -0.351   0.053
  300   HG13  ILE 861          HG11      ILE 861   7.959   0.836  -0.396
  301   HG21  ILE 861          HG21      ILE 861   9.972  -0.498   2.406
  302   HG22  ILE 861          HG22      ILE 861   9.491   0.725   3.573
  303   HG23  ILE 861          HG23      ILE 861  10.591   1.142   2.261
  304   HD11  ILE 861          HD11      ILE 861  10.224   1.240  -1.343
  305   HD12  ILE 861          HD12      ILE 861  10.790   1.562   0.302
  306   HD13  ILE 861          HD13      ILE 861   9.556   2.595  -0.428
  307    H    ALA 862           HN       ALA 862   6.545   1.932   3.719
  308    HA   ALA 862           HA       ALA 862   7.635   0.770   6.090
  309    HB1  ALA 862           HB1      ALA 862   7.527   3.132   6.014
  310    HB2  ALA 862           HB2      ALA 862   6.357   2.628   7.227
  311    HB3  ALA 862           HB3      ALA 862   5.810   3.120   5.627
  312    H    ARG 863           HN       ARG 863   4.476   0.744   4.564
  313    HA   ARG 863           HA       ARG 863   3.135  -0.343   6.883
  314    HB2  ARG 863           HB2      ARG 863   2.373   0.453   4.137
  315    HB3  ARG 863           HB1      ARG 863   1.395  -0.807   4.871
  316    HG2  ARG 863           HG2      ARG 863   1.924   1.829   6.202
  317    HG3  ARG 863           HG1      ARG 863   0.562   1.552   5.126
  318    HD2  ARG 863           HD2      ARG 863   0.253  -0.544   6.764
  319    HD3  ARG 863           HD1      ARG 863   1.048   0.568   7.874
  320    HE   ARG 863           HE       ARG 863  -1.092   1.835   6.489
  321   HH11  ARG 863          HH11      ARG 863  -1.800   0.072  10.031
  322   HH12  ARG 863          HH12      ARG 863  -0.358  -0.319   9.144
  323   HH21  ARG 863          HH21      ARG 863  -3.012   2.344   7.656
  324   HH22  ARG 863          HH22      ARG 863  -3.301   1.595   9.186
  325    H    MET 864           HN       MET 864   5.080  -1.667   4.453
  326    HA   MET 864           HA       MET 864   3.734  -4.196   4.267
  327    HB2  MET 864           HB2      MET 864   6.419  -3.215   3.316
  328    HB3  MET 864           HB1      MET 864   5.954  -4.908   3.179
  329    HG2  MET 864           HG2      MET 864   3.988  -4.230   1.861
  330    HG3  MET 864           HG1      MET 864   4.534  -2.552   1.947
  331    HE1  MET 864           HE1      MET 864   3.775  -4.068  -0.623
  332    HE2  MET 864           HE2      MET 864   5.091  -3.841  -1.775
  333    HE3  MET 864           HE3      MET 864   4.467  -2.460  -0.865
  334    H    ALA 865           HN       ALA 865   5.123  -6.236   4.725
  335    HA   ALA 865           HA       ALA 865   6.335  -5.960   7.391
  336    HB1  ALA 865           HB1      ALA 865   5.381  -8.268   7.816
  337    HB2  ALA 865           HB2      ALA 865   4.387  -8.019   6.379
  338    HB3  ALA 865           HB3      ALA 865   4.217  -6.943   7.767
  339    HA   PRO 866           HA       PRO 866   9.927  -7.953   5.847
  340    HB2  PRO 866           HB2      PRO 866  10.350  -9.840   7.864
  341    HB3  PRO 866           HB1      PRO 866  10.913  -8.164   7.875
  342    HG2  PRO 866           HG2      PRO 866   8.551  -9.364   9.207
  343    HG3  PRO 866           HG1      PRO 866   9.616  -8.051   9.754
  344    HD2  PRO 866           HD2      PRO 866   7.149  -7.579   8.780
  345    HD3  PRO 866           HD1      PRO 866   8.505  -6.463   8.519
  346    H    TYR 867           HN       TYR 867   9.006  -8.908   4.062
  347    HA   TYR 867           HA       TYR 867   7.859 -10.516   2.852
  348    HB2  TYR 867           HB2      TYR 867   9.747 -12.410   2.549
  349    HB3  TYR 867           HB1      TYR 867   9.751 -10.863   1.742
  350    HD1  TYR 867           HD1      TYR 867  10.818  -9.064   3.868
  351    HD2  TYR 867           HD2      TYR 867  11.945 -13.025   2.753
  352    HE1  TYR 867           HE1      TYR 867  13.091  -8.652   4.736
  353    HE2  TYR 867           HE2      TYR 867  14.205 -12.617   3.643
  354    HH   TYR 867           HH       TYR 867  15.694 -10.802   4.156
  355    H    THR 868           HN       THR 868   9.562 -12.725   5.156
  356    HA   THR 868           HA       THR 868   8.862 -14.573   6.180
  357    HB   THR 868           HB       THR 868   6.155 -13.253   6.062
  358    HG1  THR 868           HG1      THR 868   7.824 -12.070   7.163
  359   HG21  THR 868          HG21      THR 868   5.679 -14.693   8.053
  360   HG22  THR 868          HG22      THR 868   7.183 -15.554   7.732
  361   HG23  THR 868          HG23      THR 868   5.874 -15.600   6.557
  362    H    GLY 869           HN       GLY 869   9.142 -16.315   5.035
  363    HA2  GLY 869           HA2      GLY 869   6.985 -17.712   3.893
  364    HA3  GLY 869           HA1      GLY 869   7.928 -16.956   2.612
  365    HA   PRO 870           HA       PRO 870  10.088 -20.906   3.592
  366    HB2  PRO 870           HB2      PRO 870   9.872 -22.084   1.213
  367    HB3  PRO 870           HB1      PRO 870   8.497 -22.071   2.341
  368    HG2  PRO 870           HG2      PRO 870   8.964 -20.395  -0.081
  369    HG3  PRO 870           HG1      PRO 870   7.454 -21.104   0.523
  370    HD2  PRO 870           HD2      PRO 870   8.251 -18.471   0.903
  371    HD3  PRO 870           HD1      PRO 870   7.036 -19.326   1.870
  372    H    ASP 871           HN       ASP 871  10.684 -18.162   1.912
  373    HA   ASP 871           HA       ASP 871  13.436 -18.823   1.438
  374    HB2  ASP 871           HB2      ASP 871  12.375 -19.552  -0.678
  375    HB3  ASP 871           HB1      ASP 871  11.751 -17.927  -0.905
  376    H    SER 872           HN       SER 872  14.485 -17.192   2.251
  377    HA   SER 872           HA       SER 872  13.312 -14.666   2.802
  378    HB2  SER 872           HB2      SER 872  15.050 -15.655   4.225
  379    HB3  SER 872           HB1      SER 872  16.200 -15.576   2.900
  380    HG   SER 872           HG       SER 872  16.371 -13.448   3.129
  381    H    VAL 873           HN       VAL 873  12.771 -13.407   1.139
  382    HA   VAL 873           HA       VAL 873  14.555 -13.106  -1.128
  383    HB   VAL 873           HB       VAL 873  12.634 -11.617  -1.968
  384   HG11  VAL 873          HG11      VAL 873  12.967 -13.856  -2.802
  385   HG12  VAL 873          HG12      VAL 873  11.241 -13.587  -2.541
  386   HG13  VAL 873          HG13      VAL 873  12.175 -14.528  -1.379
  387   HG21  VAL 873          HG21      VAL 873  11.278 -11.039  -0.211
  388   HG22  VAL 873          HG22      VAL 873  11.527 -12.568   0.626
  389   HG23  VAL 873          HG23      VAL 873  10.437 -12.488  -0.769
  390    HA   PRO 874           HA       PRO 874  16.183  -9.479   1.098
  391    HB2  PRO 874           HB2      PRO 874  18.223  -9.423  -0.973
  392    HB3  PRO 874           HB1      PRO 874  18.412  -9.719   0.754
  393    HG2  PRO 874           HG2      PRO 874  18.783 -11.643  -1.114
  394    HG3  PRO 874           HG1      PRO 874  18.249 -11.971   0.543
  395    HD2  PRO 874           HD2      PRO 874  16.653 -11.891  -1.977
  396    HD3  PRO 874           HD1      PRO 874  16.494 -12.958  -0.568
  397    H    GLY 875           HN       GLY 875  15.844  -7.350   0.756
  398    HA2  GLY 875           HA2      GLY 875  15.423  -5.368  -0.349
  399    HA3  GLY 875           HA1      GLY 875  15.843  -6.153  -1.865
  400    H    ALA 876           HN       ALA 876  13.594  -8.020  -0.335
  401    HA   ALA 876           HA       ALA 876  11.334  -6.635  -1.613
  402    HB1  ALA 876           HB1      ALA 876  10.505  -8.734  -2.466
  403    HB2  ALA 876           HB2      ALA 876  11.835  -9.608  -1.699
  404    HB3  ALA 876           HB3      ALA 876  12.164  -8.501  -3.031
  405    H    LEU 877           HN       LEU 877   9.444  -6.670  -0.456
  406    HA   LEU 877           HA       LEU 877   9.466  -8.249   2.010
  407    HB2  LEU 877           HB2      LEU 877   9.150  -5.342   1.695
  408    HB3  LEU 877           HB1      LEU 877   7.958  -6.096   2.737
  409    HG   LEU 877           HG       LEU 877   9.931  -7.163   3.971
  410   HD11  LEU 877          HD11      LEU 877  11.508  -4.897   2.796
  411   HD12  LEU 877          HD12      LEU 877  11.514  -6.498   2.065
  412   HD13  LEU 877          HD13      LEU 877  12.074  -6.285   3.719
  413   HD21  LEU 877          HD21      LEU 877  10.225  -5.240   5.381
  414   HD22  LEU 877          HD22      LEU 877   8.546  -5.290   4.834
  415   HD23  LEU 877          HD23      LEU 877   9.685  -4.157   4.097
  416    H    ASP 878           HN       ASP 878   7.329  -8.574   2.968
  417    HA   ASP 878           HA       ASP 878   5.523  -9.635   1.081
  418    HB2  ASP 878           HB2      ASP 878   5.733 -10.514   3.375
  419    HB3  ASP 878           HB1      ASP 878   5.056  -9.012   4.005
  420    H    TYR 879           HN       TYR 879   4.134  -8.586  -0.160
  421    HA   TYR 879           HA       TYR 879   3.375  -5.861   0.448
  422    HB2  TYR 879           HB2      TYR 879   2.632  -5.702  -1.736
  423    HB3  TYR 879           HB1      TYR 879   3.859  -6.954  -1.896
  424    HD1  TYR 879           HD1      TYR 879   0.351  -6.128  -2.246
  425    HD2  TYR 879           HD2      TYR 879   3.118  -9.355  -2.043
  426    HE1  TYR 879           HE1      TYR 879  -1.330  -7.623  -3.217
  427    HE2  TYR 879           HE2      TYR 879   1.431 -10.856  -3.025
  428    HH   TYR 879           HH       TYR 879  -1.094 -10.950  -3.160
  429    H    MET 880           HN       MET 880   1.951  -9.006   0.696
  430    HA   MET 880           HA       MET 880  -0.773  -8.426   0.701
  431    HB2  MET 880           HB2      MET 880   0.202 -10.693   0.654
  432    HB3  MET 880           HB1      MET 880   0.675 -10.511   2.343
  433    HG2  MET 880           HG2      MET 880  -1.659 -10.345   2.991
  434    HG3  MET 880           HG1      MET 880  -2.150 -10.493   1.303
  435    HE1  MET 880           HE1      MET 880   0.687 -12.521   3.335
  436    HE2  MET 880           HE2      MET 880  -0.364 -13.819   3.930
  437    HE3  MET 880           HE3      MET 880  -0.668 -12.153   4.411
  438    H    SER 881           HN       SER 881   1.629  -7.932   3.143
  439    HA   SER 881           HA       SER 881  -0.117  -7.603   5.337
  440    HB2  SER 881           HB2      SER 881   2.665  -6.515   4.849
  441    HB3  SER 881           HB1      SER 881   1.833  -6.504   6.408
  442    HG   SER 881           HG       SER 881   2.549  -8.791   4.861
  443    H    PHE 882           HN       PHE 882   0.983  -5.438   2.804
  444    HA   PHE 882           HA       PHE 882   0.133  -3.013   4.029
  445    HB2  PHE 882           HB2      PHE 882   1.709  -2.994   2.151
  446    HB3  PHE 882           HB1      PHE 882   0.495  -3.699   1.097
  447    HD1  PHE 882           HD1      PHE 882   1.533  -0.688   2.867
  448    HD2  PHE 882           HD2      PHE 882  -1.294  -2.355   0.171
  449    HE1  PHE 882           HE1      PHE 882   0.760   1.574   2.296
  450    HE2  PHE 882           HE2      PHE 882  -2.077  -0.097  -0.416
  451    HZ   PHE 882           HZ       PHE 882  -1.050   1.874   0.653
  452    H    SER 883           HN       SER 883  -1.374  -5.215   1.701
  453    HA   SER 883           HA       SER 883  -3.781  -3.769   1.406
  454    HB2  SER 883           HB2      SER 883  -4.119  -6.627   1.065
  455    HB3  SER 883           HB1      SER 883  -4.149  -5.345  -0.152
  456    HG   SER 883           HG       SER 883  -2.441  -6.704  -0.618
  457    H    THR 884           HN       THR 884  -2.645  -6.071   3.746
  458    HA   THR 884           HA       THR 884  -5.214  -6.662   4.867
  459    HB   THR 884           HB       THR 884  -2.453  -7.023   6.060
  460    HG1  THR 884           HG1      THR 884  -2.528  -8.316   4.290
  461   HG21  THR 884          HG21      THR 884  -3.676  -8.837   7.387
  462   HG22  THR 884          HG22      THR 884  -5.176  -8.049   6.878
  463   HG23  THR 884          HG23      THR 884  -3.993  -7.159   7.849
  464    H    ALA 885           HN       ALA 885  -2.521  -4.519   5.691
  465    HA   ALA 885           HA       ALA 885  -3.639  -3.446   8.039
  466    HB1  ALA 885           HB1      ALA 885  -1.819  -1.895   6.248
  467    HB2  ALA 885           HB2      ALA 885  -1.226  -3.285   7.130
  468    HB3  ALA 885           HB3      ALA 885  -1.891  -1.905   8.004
  469    H    LEU 886           HN       LEU 886  -3.848  -2.580   4.660
  470    HA   LEU 886           HA       LEU 886  -5.311  -0.156   5.069
  471    HB2  LEU 886           HB2      LEU 886  -3.844  -0.508   3.141
  472    HB3  LEU 886           HB1      LEU 886  -4.863  -1.823   2.598
  473    HG   LEU 886           HG       LEU 886  -6.724  -0.211   2.265
  474   HD11  LEU 886          HD11      LEU 886  -4.668   1.949   2.641
  475   HD12  LEU 886          HD12      LEU 886  -5.754   1.445   3.939
  476   HD13  LEU 886          HD13      LEU 886  -6.413   2.110   2.445
  477   HD21  LEU 886          HD21      LEU 886  -5.753   0.855   0.271
  478   HD22  LEU 886          HD22      LEU 886  -5.332  -0.848   0.396
  479   HD23  LEU 886          HD23      LEU 886  -4.148   0.380   0.815
  480    H    TYR 887           HN       TYR 887  -6.130  -3.485   4.847
  481    HA   TYR 887           HA       TYR 887  -8.802  -3.154   3.908
  482    HB2  TYR 887           HB2      TYR 887  -7.295  -5.277   3.884
  483    HB3  TYR 887           HB1      TYR 887  -7.895  -5.521   5.521
  484    HD1  TYR 887           HD1      TYR 887 -10.266  -6.060   5.898
  485    HD2  TYR 887           HD2      TYR 887  -8.708  -5.540   1.969
  486    HE1  TYR 887           HE1      TYR 887 -12.283  -7.106   4.957
  487    HE2  TYR 887           HE2      TYR 887 -10.717  -6.578   1.027
  488    HH   TYR 887           HH       TYR 887 -13.495  -6.866   2.496
  489    H    GLY 888           HN       GLY 888  -7.274  -3.352   7.066
  490    HA2  GLY 888           HA2      GLY 888  -9.765  -3.470   8.501
  491    HA3  GLY 888           HA1      GLY 888  -8.170  -3.285   9.196
  492    H    GLU 889           HN       GLU 889 -11.071  -1.761   8.495
  493    HA   GLU 889           HA       GLU 889  -9.956   0.944   8.569
  494    HB2  GLU 889           HB2      GLU 889 -12.244  -0.188   7.366
  495    HB3  GLU 889           HB1      GLU 889 -12.843   0.837   8.657
  496    HG2  GLU 889           HG2      GLU 889 -11.011   2.470   7.506
  497    HG3  GLU 889           HG1      GLU 889 -11.576   1.552   6.111
  498    H    SER 890           HN       SER 890 -10.743   2.485  10.156
  499    HA   SER 890           HA       SER 890 -11.238   1.152  12.737
  500    HB2  SER 890           HB2      SER 890 -10.309   3.985  12.211
  501    HB3  SER 890           HB1      SER 890 -10.350   3.153  13.765
  502    HG   SER 890           HG       SER 890  -8.960   1.871  11.742
  503    H    ASP 891           HN       ASP 891 -13.147   2.059  10.488
  504    HA   ASP 891           HA       ASP 891 -15.257   2.862  12.267
  505    HB2  ASP 891           HB2      ASP 891 -14.162   5.020  11.639
  506    HB3  ASP 891           HB1      ASP 891 -14.515   4.670   9.952
  507    H    LEU 892           HN       LEU 892 -14.842   0.537  10.895
  508    HA   LEU 892           HA       LEU 892 -17.171   0.459   9.165
  509    HB2  LEU 892           HB2      LEU 892 -15.374   0.912   7.580
  510    HB3  LEU 892           HB1      LEU 892 -14.435  -0.418   8.228
  511    HG   LEU 892           HG       LEU 892 -16.251  -1.967   7.425
  512   HD11  LEU 892          HD11      LEU 892 -17.261   0.581   6.216
  513   HD12  LEU 892          HD12      LEU 892 -18.144  -0.611   7.171
  514   HD13  LEU 892          HD13      LEU 892 -17.632  -0.998   5.529
  515   HD21  LEU 892          HD21      LEU 892 -14.116  -1.542   6.223
  516   HD22  LEU 892          HD22      LEU 892 -14.957  -0.309   5.279
  517   HD23  LEU 892          HD23      LEU 892 -15.458  -1.998   5.166
  518    H1   GLY1646           HT1      GLY1646  -0.947  -5.152 -18.447
  519    H2   GLY1646           HT2      GLY1646  -1.301  -3.609 -17.850
  520    H3   GLY1646           HT3      GLY1646  -1.206  -4.925 -16.792
  521    HA2  GLY1646           HA1      GLY1646   1.172  -5.179 -17.440
  522    HA3  GLY1646           HA2      GLY1646   1.005  -3.648 -18.294
  523    H    LYS1647           HN       LYS1647   2.850  -3.342 -16.661
  524    HA   LYS1647           HA       LYS1647   2.412  -3.023 -13.929
  525    HB2  LYS1647           HB2      LYS1647   4.299  -1.538 -15.772
  526    HB3  LYS1647           HB1      LYS1647   4.367  -1.453 -14.020
  527    HG2  LYS1647           HG2      LYS1647   4.627  -4.040 -15.528
  528    HG3  LYS1647           HG1      LYS1647   6.009  -3.015 -15.140
  529    HD2  LYS1647           HD2      LYS1647   4.768  -3.199 -12.720
  530    HD3  LYS1647           HD1      LYS1647   4.392  -4.783 -13.417
  531    HE2  LYS1647           HE2      LYS1647   6.426  -5.049 -12.247
  532    HE3  LYS1647           HE1      LYS1647   6.868  -4.961 -13.950
  533    HZ1  LYS1647           HZ1      LYS1647   7.993  -3.501 -11.985
  534    HZ2  LYS1647           HZ2      LYS1647   6.846  -2.412 -12.604
  535    HZ3  LYS1647           HZ3      LYS1647   8.007  -3.084 -13.624
  536    H    PHE1648           HN       PHE1648   1.897  -0.803 -16.616
  537    HA   PHE1648           HA       PHE1648   1.252   1.470 -15.037
  538    HB2  PHE1648           HB2      PHE1648   0.787   0.759 -17.924
  539    HB3  PHE1648           HB1      PHE1648   0.220   2.274 -17.243
  540    HD1  PHE1648           HD1      PHE1648   2.204   3.434 -15.722
  541    HD2  PHE1648           HD2      PHE1648   2.704   0.924 -19.121
  542    HE1  PHE1648           HE1      PHE1648   4.406   4.441 -16.141
  543    HE2  PHE1648           HE2      PHE1648   4.908   1.926 -19.544
  544    HZ   PHE1648           HZ       PHE1648   5.761   3.684 -18.059
  545    H    TYR1649           HN       TYR1649  -0.683  -1.161 -16.339
  546    HA   TYR1649           HA       TYR1649  -3.201   0.105 -15.821
  547    HB2  TYR1649           HB2      TYR1649  -2.919  -1.690 -17.511
  548    HB3  TYR1649           HB1      TYR1649  -2.584  -2.831 -16.218
  549    HD1  TYR1649           HD1      TYR1649  -4.351  -3.927 -15.117
  550    HD2  TYR1649           HD2      TYR1649  -5.193  -0.572 -17.588
  551    HE1  TYR1649           HE1      TYR1649  -6.758  -4.390 -14.911
  552    HE2  TYR1649           HE2      TYR1649  -7.604  -1.025 -17.380
  553    HH   TYR1649           HH       TYR1649  -9.125  -2.712 -16.813
  554    H    ALA1650           HN       ALA1650  -1.157  -2.210 -14.135
  555    HA   ALA1650           HA       ALA1650  -2.879  -2.816 -12.005
  556    HB1  ALA1650           HB1      ALA1650   0.132  -2.708 -11.964
  557    HB2  ALA1650           HB2      ALA1650  -0.818  -4.073 -12.540
  558    HB3  ALA1650           HB3      ALA1650  -0.899  -3.593 -10.845
  559    H    THR1651           HN       THR1651  -0.411  -0.286 -12.353
  560    HA   THR1651           HA       THR1651  -0.720   0.791  -9.755
  561    HB   THR1651           HB       THR1651   0.212   2.918 -11.054
  562    HG1  THR1651           HG1      THR1651   1.421   1.136 -12.760
  563   HG21  THR1651          HG21      THR1651   2.416   2.184 -10.584
  564   HG22  THR1651          HG22      THR1651   1.971   0.483 -10.800
  565   HG23  THR1651          HG23      THR1651   1.382   1.379  -9.394
  566    H    PHE1652           HN       PHE1652  -2.241   1.471 -12.854
  567    HA   PHE1652           HA       PHE1652  -3.671   3.771 -12.223
  568    HB2  PHE1652           HB2      PHE1652  -3.569   3.073 -14.502
  569    HB3  PHE1652           HB1      PHE1652  -4.224   1.483 -14.117
  570    HD1  PHE1652           HD1      PHE1652  -5.181   5.091 -14.017
  571    HD2  PHE1652           HD2      PHE1652  -6.439   1.063 -14.546
  572    HE1  PHE1652           HE1      PHE1652  -7.424   5.878 -14.648
  573    HE2  PHE1652           HE2      PHE1652  -8.690   1.842 -15.170
  574    HZ   PHE1652           HZ       PHE1652  -9.181   4.244 -15.223
  575    H    LEU1653           HN       LEU1653  -4.508   0.365 -11.802
  576    HA   LEU1653           HA       LEU1653  -7.109   0.749 -10.774
  577    HB2  LEU1653           HB2      LEU1653  -5.150  -1.503 -10.333
  578    HB3  LEU1653           HB1      LEU1653  -6.840  -1.545  -9.862
  579    HG   LEU1653           HG       LEU1653  -5.807  -1.313 -12.689
  580   HD11  LEU1653          HD11      LEU1653  -7.218  -3.608 -11.323
  581   HD12  LEU1653          HD12      LEU1653  -5.480  -3.528 -11.610
  582   HD13  LEU1653          HD13      LEU1653  -6.594  -3.568 -12.967
  583   HD21  LEU1653          HD21      LEU1653  -7.880  -0.152 -12.522
  584   HD22  LEU1653          HD22      LEU1653  -8.600  -1.451 -11.575
  585   HD23  LEU1653          HD23      LEU1653  -8.206  -1.712 -13.271
  586    H    ILE1654           HN       ILE1654  -3.949   0.660  -9.252
  587    HA   ILE1654           HA       ILE1654  -4.816   0.524  -6.569
  588    HB   ILE1654           HB       ILE1654  -2.329   1.859  -7.629
  589   HG12  ILE1654          HG12      ILE1654  -2.853  -1.000  -6.790
  590   HG13  ILE1654          HG11      ILE1654  -2.374  -0.428  -8.390
  591   HG21  ILE1654          HG21      ILE1654  -2.878   0.753  -4.891
  592   HG22  ILE1654          HG22      ILE1654  -2.954   2.459  -5.316
  593   HG23  ILE1654          HG23      ILE1654  -1.426   1.591  -5.424
  594   HD11  ILE1654          HD11      ILE1654  -0.193   0.103  -7.637
  595   HD12  ILE1654          HD12      ILE1654  -0.568  -1.512  -7.036
  596   HD13  ILE1654          HD13      ILE1654  -0.650  -0.126  -5.955
  597    H    GLN1655           HN       GLN1655  -3.990   3.251  -8.663
  598    HA   GLN1655           HA       GLN1655  -4.462   5.281  -6.773
  599    HB2  GLN1655           HB2      GLN1655  -4.552   5.343  -9.780
  600    HB3  GLN1655           HB1      GLN1655  -4.618   6.766  -8.762
  601    HG2  GLN1655           HG2      GLN1655  -2.415   6.222  -7.860
  602    HG3  GLN1655           HG1      GLN1655  -2.344   4.820  -8.930
  603   HE21  GLN1655          HE21      GLN1655  -2.283   8.287  -8.726
  604   HE22  GLN1655          HE22      GLN1655  -1.689   8.559 -10.332
  605    H    GLU1656           HN       GLU1656  -6.541   3.788  -9.220
  606    HA   GLU1656           HA       GLU1656  -8.742   5.481  -8.840
  607    HB2  GLU1656           HB2      GLU1656  -8.340   3.755 -10.708
  608    HB3  GLU1656           HB1      GLU1656  -9.004   2.588  -9.574
  609    HG2  GLU1656           HG2      GLU1656 -10.676   3.438 -11.158
  610    HG3  GLU1656           HG1      GLU1656 -11.088   3.783  -9.470
  611    H    TYR1657           HN       TYR1657  -7.810   2.460  -7.247
  612    HA   TYR1657           HA       TYR1657 -10.117   2.137  -5.682
  613    HB2  TYR1657           HB2      TYR1657  -8.493   0.339  -5.951
  614    HB3  TYR1657           HB1      TYR1657  -7.253   1.300  -5.147
  615    HD1  TYR1657           HD1      TYR1657  -6.718   0.504  -3.066
  616    HD2  TYR1657           HD2      TYR1657 -10.782   0.280  -4.308
  617    HE1  TYR1657           HE1      TYR1657  -7.306  -0.524  -0.924
  618    HE2  TYR1657           HE2      TYR1657 -11.384  -0.755  -2.153
  619    HH   TYR1657           HH       TYR1657  -9.388  -0.725   0.512
  620    H    PHE1658           HN       PHE1658  -7.058   3.775  -5.013
  621    HA   PHE1658           HA       PHE1658  -7.650   4.611  -2.371
  622    HB2  PHE1658           HB2      PHE1658  -5.647   5.271  -4.424
  623    HB3  PHE1658           HB1      PHE1658  -6.006   6.587  -3.321
  624    HD1  PHE1658           HD1      PHE1658  -4.928   3.051  -3.458
  625    HD2  PHE1658           HD2      PHE1658  -5.085   6.643  -1.184
  626    HE1  PHE1658           HE1      PHE1658  -3.381   2.065  -1.813
  627    HE2  PHE1658           HE2      PHE1658  -3.551   5.671   0.471
  628    HZ   PHE1658           HZ       PHE1658  -2.692   3.382   0.152
  629    H    ARG1659           HN       ARG1659  -8.073   6.087  -5.514
  630    HA   ARG1659           HA       ARG1659  -9.069   8.573  -4.751
  631    HB2  ARG1659           HB2      ARG1659  -8.318   7.683  -7.058
  632    HB3  ARG1659           HB1      ARG1659  -9.968   7.086  -7.209
  633    HG2  ARG1659           HG2      ARG1659 -10.858   9.159  -7.451
  634    HG3  ARG1659           HG1      ARG1659  -9.606   9.932  -6.477
  635    HD2  ARG1659           HD2      ARG1659  -9.554  10.453  -8.941
  636    HD3  ARG1659           HD1      ARG1659  -8.050   9.868  -8.250
  637    HE   ARG1659           HE       ARG1659  -9.737   7.858  -9.499
  638   HH11  ARG1659          HH11      ARG1659  -6.362   9.266 -11.171
  639   HH12  ARG1659          HH12      ARG1659  -7.048  10.073  -9.800
  640   HH21  ARG1659          HH21      ARG1659  -7.378   7.385 -12.045
  641   HH22  ARG1659          HH22      ARG1659  -8.852   6.787 -11.338
  642    H    LYS1660           HN       LYS1660 -10.932   5.688  -5.792
  643    HA   LYS1660           HA       LYS1660 -13.440   6.858  -5.145
  644    HB2  LYS1660           HB2      LYS1660 -14.422   4.759  -5.682
  645    HB3  LYS1660           HB1      LYS1660 -13.086   4.981  -6.790
  646    HG2  LYS1660           HG2      LYS1660 -11.774   3.371  -5.709
  647    HG3  LYS1660           HG1      LYS1660 -12.789   3.393  -4.259
  648    HD2  LYS1660           HD2      LYS1660 -13.167   1.363  -5.559
  649    HD3  LYS1660           HD1      LYS1660 -14.623   2.363  -5.532
  650    HE2  LYS1660           HE2      LYS1660 -14.159   3.164  -7.765
  651    HE3  LYS1660           HE1      LYS1660 -12.619   2.312  -7.794
  652    HZ1  LYS1660           HZ1      LYS1660 -15.299   1.034  -7.663
  653    HZ2  LYS1660           HZ2      LYS1660 -13.824   0.208  -7.675
  654    HZ3  LYS1660           HZ3      LYS1660 -14.301   1.105  -9.020
  655    H    PHE1661           HN       PHE1661 -11.105   5.130  -3.242
  656    HA   PHE1661           HA       PHE1661 -12.806   4.208  -1.195
  657    HB2  PHE1661           HB2      PHE1661 -10.340   3.616  -1.611
  658    HB3  PHE1661           HB1      PHE1661  -9.964   5.091  -0.724
  659    HD1  PHE1661           HD1      PHE1661 -11.429   1.732  -0.499
  660    HD2  PHE1661           HD2      PHE1661 -10.237   5.208   1.644
  661    HE1  PHE1661           HE1      PHE1661 -11.626   0.492   1.622
  662    HE2  PHE1661           HE2      PHE1661 -10.443   3.976   3.775
  663    HZ   PHE1661           HZ       PHE1661 -11.136   1.619   3.754
  664    H    LYS1662           HN       LYS1662 -11.086   7.252  -1.669
  665    HA   LYS1662           HA       LYS1662 -11.646   8.432   0.806
  666    HB2  LYS1662           HB2      LYS1662 -11.253   9.641  -1.925
  667    HB3  LYS1662           HB1      LYS1662 -11.448  10.615  -0.476
  668    HG2  LYS1662           HG2      LYS1662  -9.464   9.601   0.496
  669    HG3  LYS1662           HG1      LYS1662  -9.277   8.581  -0.928
  670    HD2  LYS1662           HD2      LYS1662  -9.050  10.620  -2.302
  671    HD3  LYS1662           HD1      LYS1662  -9.132  11.594  -0.837
  672    HE2  LYS1662           HE2      LYS1662  -7.130   9.409  -0.972
  673    HE3  LYS1662           HE1      LYS1662  -6.816  10.870  -1.906
  674    HZ1  LYS1662           HZ1      LYS1662  -7.344  10.783   1.015
  675    HZ2  LYS1662           HZ2      LYS1662  -6.999  12.170   0.114
  676    HZ3  LYS1662           HZ3      LYS1662  -5.832  10.971   0.299
  677    H    LYS1663           HN       LYS1663 -13.452   8.557  -2.238
  678    HA   LYS1663           HA       LYS1663 -15.552  10.185  -1.307
  679    HB2  LYS1663           HB2      LYS1663 -15.298   8.256  -3.589
  680    HB3  LYS1663           HB1      LYS1663 -16.816   9.074  -3.267
  681    HG2  LYS1663           HG2      LYS1663 -15.954  10.540  -4.752
  682    HG3  LYS1663           HG1      LYS1663 -15.229  11.194  -3.291
  683    HD2  LYS1663           HD2      LYS1663 -13.157  10.094  -3.721
  684    HD3  LYS1663           HD1      LYS1663 -13.865   9.187  -5.062
  685    HE2  LYS1663           HE2      LYS1663 -12.540  10.985  -5.950
  686    HE3  LYS1663           HE1      LYS1663 -14.245  11.315  -6.260
  687    HZ1  LYS1663           HZ1      LYS1663 -12.702  13.163  -5.333
  688    HZ2  LYS1663           HZ2      LYS1663 -12.987  12.418  -3.847
  689    HZ3  LYS1663           HZ3      LYS1663 -14.281  13.020  -4.750
  690    H    ARG1664           HN       ARG1664 -15.096   6.707  -1.379
  691    HA   ARG1664           HA       ARG1664 -17.676   5.906  -0.637
  692    HB2  ARG1664           HB2      ARG1664 -15.572   4.561  -1.420
  693    HB3  ARG1664           HB1      ARG1664 -15.237   4.442   0.303
  694    HG2  ARG1664           HG2      ARG1664 -17.912   3.667  -0.792
  695    HG3  ARG1664           HG1      ARG1664 -16.546   2.556  -0.876
  696    HD2  ARG1664           HD2      ARG1664 -17.631   3.820   1.624
  697    HD3  ARG1664           HD1      ARG1664 -17.903   2.159   1.117
  698    HE   ARG1664           HE       ARG1664 -15.291   2.149   1.201
  699   HH11  ARG1664          HH11      ARG1664 -16.486   3.448   4.804
  700   HH12  ARG1664          HH12      ARG1664 -17.549   3.609   3.434
  701   HH21  ARG1664          HH21      ARG1664 -13.874   1.969   2.958
  702   HH22  ARG1664          HH22      ARG1664 -14.374   2.508   4.539
  703    H    LYS1665           HN       LYS1665 -14.850   6.787   1.261
  704    HA   LYS1665           HA       LYS1665 -15.992   6.190   3.782
  705    HB2  LYS1665           HB2      LYS1665 -13.550   6.411   3.327
  706    HB3  LYS1665           HB1      LYS1665 -13.776   8.147   3.159
  707    HG2  LYS1665           HG2      LYS1665 -12.948   7.734   5.341
  708    HG3  LYS1665           HG1      LYS1665 -14.645   8.189   5.495
  709    HD2  LYS1665           HD2      LYS1665 -15.085   5.637   5.445
  710    HD3  LYS1665           HD1      LYS1665 -13.372   5.499   5.835
  711    HE2  LYS1665           HE2      LYS1665 -13.639   6.551   7.892
  712    HE3  LYS1665           HE1      LYS1665 -15.163   7.298   7.420
  713    HZ1  LYS1665           HZ1      LYS1665 -14.647   4.474   8.135
  714    HZ2  LYS1665           HZ2      LYS1665 -16.062   4.956   7.329
  715    HZ3  LYS1665           HZ3      LYS1665 -15.725   5.565   8.877
  716    H    GLU1666           HN       GLU1666 -15.988   9.061   1.742
  717    HA   GLU1666           HA       GLU1666 -16.986  10.865   3.715
  718    HB2  GLU1666           HB2      GLU1666 -17.230  11.016   0.699
  719    HB3  GLU1666           HB1      GLU1666 -17.502  12.339   1.826
  720    HG2  GLU1666           HG2      GLU1666 -15.181  12.232   2.532
  721    HG3  GLU1666           HG1      GLU1666 -14.903  10.893   1.425
  722    H    GLN1667           HN       GLN1667 -18.406   8.452   1.737
  723    HA   GLN1667           HA       GLN1667 -21.107   9.463   2.107
  724    HB2  GLN1667           HB2      GLN1667 -20.059   6.978   0.735
  725    HB3  GLN1667           HB1      GLN1667 -21.757   7.447   0.811
  726    HG2  GLN1667           HG2      GLN1667 -19.545   9.017  -0.487
  727    HG3  GLN1667           HG1      GLN1667 -20.765   8.054  -1.322
  728   HE21  GLN1667          HE21      GLN1667 -22.875   8.821  -1.445
  729   HE22  GLN1667          HE22      GLN1667 -23.278  10.461  -1.076
  730    H    GLY1668           HN       GLY1668 -19.369   6.417   2.819
  731    HA2  GLY1668           HA2      GLY1668 -19.695   6.002   5.383
  732    HA3  GLY1668           HA1      GLY1668 -21.361   5.848   4.875
  Start of MODEL    2
    1    H1   ASP 822           HT1      ASP 822 -13.456 -10.339  -3.966
    2    H2   ASP 822           HT2      ASP 822 -13.815  -8.715  -3.638
    3    H3   ASP 822           HT3      ASP 822 -13.249  -9.167  -5.171
    4    HA   ASP 822           HA       ASP 822 -15.218 -10.385  -5.631
    5    HB2  ASP 822           HB2      ASP 822 -15.504 -11.119  -3.257
    6    HB3  ASP 822           HB1      ASP 822 -16.195  -9.538  -2.899
    7    H    THR 823           HN       THR 823 -16.861  -8.114  -3.594
    8    HA   THR 823           HA       THR 823 -17.476  -6.467  -5.920
    9    HB   THR 823           HB       THR 823 -18.769  -5.494  -3.581
   10    HG1  THR 823           HG1      THR 823 -18.788  -8.352  -3.880
   11   HG21  THR 823          HG21      THR 823 -19.959  -7.272  -5.699
   12   HG22  THR 823          HG22      THR 823 -19.537  -5.586  -5.999
   13   HG23  THR 823          HG23      THR 823 -20.746  -5.989  -4.780
   14    H    ASP 824           HN       ASP 824 -15.009  -6.474  -3.998
   15    HA   ASP 824           HA       ASP 824 -15.012  -3.651  -3.272
   16    HB2  ASP 824           HB2      ASP 824 -12.967  -4.303  -1.996
   17    HB3  ASP 824           HB1      ASP 824 -14.413  -5.186  -1.512
   18    H    THR 825           HN       THR 825 -12.238  -3.348  -3.237
   19    HA   THR 825           HA       THR 825 -11.423  -3.654  -6.045
   20    HB   THR 825           HB       THR 825 -10.713  -1.135  -4.590
   21    HG1  THR 825           HG1      THR 825 -13.242  -1.750  -5.757
   22   HG21  THR 825          HG21      THR 825 -11.155  -1.882  -7.489
   23   HG22  THR 825          HG22      THR 825  -9.627  -1.480  -6.705
   24   HG23  THR 825          HG23      THR 825 -10.855  -0.235  -6.938
   25    H    ALA 826           HN       ALA 826 -10.883  -4.694  -3.177
   26    HA   ALA 826           HA       ALA 826  -8.032  -4.089  -2.902
   27    HB1  ALA 826           HB1      ALA 826 -10.007  -5.589  -1.208
   28    HB2  ALA 826           HB2      ALA 826  -9.112  -4.120  -0.817
   29    HB3  ALA 826           HB3      ALA 826  -8.272  -5.668  -0.911
   30    H    ASP 827           HN       ASP 827 -10.190  -6.885  -3.348
   31    HA   ASP 827           HA       ASP 827  -8.107  -8.753  -3.771
   32    HB2  ASP 827           HB2      ASP 827  -9.788 -10.249  -3.905
   33    HB3  ASP 827           HB1      ASP 827 -10.870  -8.901  -3.600
   34    H    GLN 828           HN       GLN 828  -9.649  -6.385  -5.747
   35    HA   GLN 828           HA       GLN 828  -8.744  -7.299  -8.267
   36    HB2  GLN 828           HB2      GLN 828  -9.520  -4.533  -7.295
   37    HB3  GLN 828           HB1      GLN 828  -9.174  -4.920  -8.977
   38    HG2  GLN 828           HG2      GLN 828 -11.430  -5.978  -7.282
   39    HG3  GLN 828           HG1      GLN 828 -11.542  -4.892  -8.665
   40   HE21  GLN 828          HE21      GLN 828 -11.386  -8.121  -7.593
   41   HE22  GLN 828          HE22      GLN 828 -11.426  -8.882  -9.152
   42    H    VAL 829           HN       VAL 829  -7.625  -4.687  -6.170
   43    HA   VAL 829           HA       VAL 829  -5.233  -4.090  -7.470
   44    HB   VAL 829           HB       VAL 829  -6.196  -3.764  -4.641
   45   HG11  VAL 829          HG11      VAL 829  -4.205  -2.671  -3.946
   46   HG12  VAL 829          HG12      VAL 829  -3.506  -2.760  -5.564
   47   HG13  VAL 829          HG13      VAL 829  -3.717  -4.229  -4.611
   48   HG21  VAL 829          HG21      VAL 829  -5.891  -1.347  -5.276
   49   HG22  VAL 829          HG22      VAL 829  -7.105  -2.227  -6.210
   50   HG23  VAL 829          HG23      VAL 829  -5.516  -1.906  -6.904
   51    H    MET 830           HN       MET 830  -5.955  -6.505  -5.011
   52    HA   MET 830           HA       MET 830  -3.319  -7.292  -4.448
   53    HB2  MET 830           HB2      MET 830  -6.013  -8.534  -4.102
   54    HB3  MET 830           HB1      MET 830  -4.592  -9.554  -3.914
   55    HG2  MET 830           HG2      MET 830  -5.097  -7.002  -2.418
   56    HG3  MET 830           HG1      MET 830  -5.419  -8.621  -1.802
   57    HE1  MET 830           HE1      MET 830  -2.600 -10.076  -3.160
   58    HE2  MET 830           HE2      MET 830  -3.598 -10.462  -1.759
   59    HE3  MET 830           HE3      MET 830  -1.870 -10.165  -1.555
   60    H    ALA 831           HN       ALA 831  -5.669  -8.532  -6.831
   61    HA   ALA 831           HA       ALA 831  -4.037 -10.570  -7.892
   62    HB1  ALA 831           HB1      ALA 831  -6.235 -10.794  -8.537
   63    HB2  ALA 831           HB2      ALA 831  -5.554 -10.049  -9.988
   64    HB3  ALA 831           HB3      ALA 831  -6.437  -9.064  -8.820
   65    H    SER 832           HN       SER 832  -4.549  -7.202  -8.877
   66    HA   SER 832           HA       SER 832  -2.792  -7.224 -11.069
   67    HB2  SER 832           HB2      SER 832  -3.527  -4.905  -9.257
   68    HB3  SER 832           HB1      SER 832  -2.913  -4.791 -10.910
   69    HG   SER 832           HG       SER 832  -4.978  -6.372 -11.069
   70    H    PHE 833           HN       PHE 833  -2.299  -6.494  -7.635
   71    HA   PHE 833           HA       PHE 833   0.422  -5.789  -7.783
   72    HB2  PHE 833           HB2      PHE 833  -1.482  -6.210  -5.725
   73    HB3  PHE 833           HB1      PHE 833  -0.120  -7.271  -5.378
   74    HD1  PHE 833           HD1      PHE 833   2.239  -5.985  -5.915
   75    HD2  PHE 833           HD2      PHE 833  -1.402  -4.193  -4.628
   76    HE1  PHE 833           HE1      PHE 833   3.511  -4.070  -4.994
   77    HE2  PHE 833           HE2      PHE 833  -0.150  -2.279  -3.719
   78    HZ   PHE 833           HZ       PHE 833   2.306  -2.219  -3.901
   79    H    LYS 834           HN       LYS 834  -1.088  -8.878  -6.948
   80    HA   LYS 834           HA       LYS 834   0.978 -10.592  -6.902
   81    HB2  LYS 834           HB2      LYS 834  -1.678 -10.914  -6.952
   82    HB3  LYS 834           HB1      LYS 834  -1.325 -11.416  -8.596
   83    HG2  LYS 834           HG2      LYS 834  -0.179 -13.281  -7.949
   84    HG3  LYS 834           HG1      LYS 834   0.252 -12.595  -6.380
   85    HD2  LYS 834           HD2      LYS 834  -2.125 -12.788  -5.696
   86    HD3  LYS 834           HD1      LYS 834  -2.467 -13.566  -7.243
   87    HE2  LYS 834           HE2      LYS 834  -0.311 -14.694  -5.517
   88    HE3  LYS 834           HE1      LYS 834  -1.993 -14.988  -5.090
   89    HZ1  LYS 834           HZ1      LYS 834  -0.573 -15.798  -7.566
   90    HZ2  LYS 834           HZ2      LYS 834  -2.262 -15.793  -7.458
   91    HZ3  LYS 834           HZ3      LYS 834  -1.354 -16.782  -6.434
   92    H    ILE 835           HN       ILE 835  -0.650  -9.536  -9.934
   93    HA   ILE 835           HA       ILE 835   0.972 -10.963 -11.689
   94    HB   ILE 835           HB       ILE 835  -0.783  -8.530 -11.926
   95   HG12  ILE 835          HG12      ILE 835  -0.998 -11.293 -13.126
   96   HG13  ILE 835          HG11      ILE 835  -1.746 -10.810 -11.607
   97   HG21  ILE 835          HG21      ILE 835   0.745  -9.840 -14.178
   98   HG22  ILE 835          HG22      ILE 835   0.991  -8.207 -13.559
   99   HG23  ILE 835          HG23      ILE 835  -0.522  -8.627 -14.361
  100   HD11  ILE 835          HD11      ILE 835  -2.404  -9.942 -14.388
  101   HD12  ILE 835          HD12      ILE 835  -2.877  -8.974 -12.990
  102   HD13  ILE 835          HD13      ILE 835  -3.449 -10.635 -13.147
  103    H    LEU 836           HN       LEU 836   1.313  -7.766 -10.244
  104    HA   LEU 836           HA       LEU 836   3.445  -6.913 -11.936
  105    HB2  LEU 836           HB2      LEU 836   2.024  -5.915  -9.599
  106    HB3  LEU 836           HB1      LEU 836   3.726  -5.496  -9.592
  107    HG   LEU 836           HG       LEU 836   3.483  -4.439 -11.800
  108   HD11  LEU 836          HD11      LEU 836   1.564  -5.865 -12.546
  109   HD12  LEU 836          HD12      LEU 836   1.351  -4.140 -12.844
  110   HD13  LEU 836          HD13      LEU 836   0.525  -4.909 -11.491
  111   HD21  LEU 836          HD21      LEU 836   2.085  -2.536 -11.057
  112   HD22  LEU 836          HD22      LEU 836   3.264  -3.052  -9.850
  113   HD23  LEU 836          HD23      LEU 836   1.567  -3.504  -9.679
  114    H    ALA 837           HN       ALA 837   3.301  -8.483  -8.799
  115    HA   ALA 837           HA       ALA 837   6.158  -8.301  -8.431
  116    HB1  ALA 837           HB1      ALA 837   5.648  -9.667  -6.371
  117    HB2  ALA 837           HB2      ALA 837   3.948  -9.558  -6.825
  118    HB3  ALA 837           HB3      ALA 837   4.863  -8.094  -6.473
  119    H    GLY 838           HN       GLY 838   4.132 -10.342 -10.160
  120    HA2  GLY 838           HA2      GLY 838   4.676 -12.213 -11.428
  121    HA3  GLY 838           HA1      GLY 838   6.263 -12.226 -10.675
  122    H    ASP 839           HN       ASP 839   2.948 -12.518  -9.477
  123    HA   ASP 839           HA       ASP 839   1.859 -14.024  -8.217
  124    HB2  ASP 839           HB2      ASP 839   2.839 -15.644  -9.968
  125    HB3  ASP 839           HB1      ASP 839   3.960 -16.118  -8.696
  126    H    LYS 840           HN       LYS 840   5.119 -13.275  -7.499
  127    HA   LYS 840           HA       LYS 840   5.424 -14.619  -5.026
  128    HB2  LYS 840           HB2      LYS 840   6.745 -12.255  -6.299
  129    HB3  LYS 840           HB1      LYS 840   6.978 -12.520  -4.577
  130    HG2  LYS 840           HG2      LYS 840   7.925 -14.686  -4.985
  131    HG3  LYS 840           HG1      LYS 840   7.564 -14.553  -6.710
  132    HD2  LYS 840           HD2      LYS 840   9.312 -12.524  -5.330
  133    HD3  LYS 840           HD1      LYS 840   9.971 -14.050  -5.924
  134    HE2  LYS 840           HE2      LYS 840   9.231 -13.557  -8.159
  135    HE3  LYS 840           HE1      LYS 840   8.427 -12.088  -7.612
  136    HZ1  LYS 840           HZ1      LYS 840  10.711 -11.359  -6.862
  137    HZ2  LYS 840           HZ2      LYS 840  10.450 -11.405  -8.530
  138    HZ3  LYS 840           HZ3      LYS 840  11.326 -12.641  -7.780
  139    H    ASN 841           HN       ASN 841   4.819 -14.094  -2.992
  140    HA   ASN 841           HA       ASN 841   2.757 -12.142  -2.687
  141    HB2  ASN 841           HB2      ASN 841   3.386 -14.442  -1.383
  142    HB3  ASN 841           HB1      ASN 841   3.969 -13.240  -0.237
  143   HD21  ASN 841          HD21      ASN 841   2.533 -12.232   1.050
  144   HD22  ASN 841          HD22      ASN 841   0.811 -12.391   0.910
  145    H    TYR 842           HN       TYR 842   6.076 -12.023  -2.633
  146    HA   TYR 842           HA       TYR 842   6.085  -9.491  -1.150
  147    HB2  TYR 842           HB2      TYR 842   8.731 -10.351  -1.350
  148    HB3  TYR 842           HB1      TYR 842   7.724 -10.406   0.091
  149    HD1  TYR 842           HD1      TYR 842   9.194 -12.340  -2.626
  150    HD2  TYR 842           HD2      TYR 842   6.709 -12.483   0.804
  151    HE1  TYR 842           HE1      TYR 842   9.401 -14.782  -2.611
  152    HE2  TYR 842           HE2      TYR 842   6.904 -14.937   0.844
  153    HH   TYR 842           HH       TYR 842   9.230 -16.625  -0.845
  154    H    ILE 843           HN       ILE 843   6.861  -7.711  -2.201
  155    HA   ILE 843           HA       ILE 843   7.845  -8.112  -4.958
  156    HB   ILE 843           HB       ILE 843   5.571  -7.018  -4.760
  157   HG12  ILE 843          HG12      ILE 843   7.690  -5.230  -5.959
  158   HG13  ILE 843          HG11      ILE 843   7.174  -6.745  -6.687
  159   HG21  ILE 843          HG21      ILE 843   5.462  -4.669  -4.053
  160   HG22  ILE 843          HG22      ILE 843   7.165  -4.724  -3.599
  161   HG23  ILE 843          HG23      ILE 843   5.990  -5.705  -2.728
  162   HD11  ILE 843          HD11      ILE 843   5.277  -4.504  -6.096
  163   HD12  ILE 843          HD12      ILE 843   5.020  -5.911  -7.127
  164   HD13  ILE 843          HD13      ILE 843   6.152  -4.651  -7.617
  165    H    THR 844           HN       THR 844   9.413  -6.534  -5.715
  166    HA   THR 844           HA       THR 844  11.421  -6.083  -3.787
  167    HB   THR 844           HB       THR 844  11.855  -4.494  -6.125
  168    HG1  THR 844           HG1      THR 844  11.536  -6.067  -7.714
  169   HG21  THR 844          HG21      THR 844  13.697  -6.100  -6.422
  170   HG22  THR 844          HG22      THR 844  12.973  -7.127  -5.191
  171   HG23  THR 844          HG23      THR 844  13.583  -5.535  -4.755
  172    H    MET 845           HN       MET 845  12.055  -4.299  -2.763
  173    HA   MET 845           HA       MET 845  10.218  -2.332  -2.073
  174    HB2  MET 845           HB2      MET 845  12.067  -2.922  -0.647
  175    HB3  MET 845           HB1      MET 845  13.229  -2.411  -1.864
  176    HG2  MET 845           HG2      MET 845  12.372  -0.092  -1.627
  177    HG3  MET 845           HG1      MET 845  11.358  -0.653  -0.299
  178    HE1  MET 845           HE1      MET 845  15.970  -0.843  -0.167
  179    HE2  MET 845           HE2      MET 845  15.027  -0.554  -1.628
  180    HE3  MET 845           HE3      MET 845  15.008  -2.145  -0.864
  181    H    ASP 846           HN       ASP 846  12.993  -2.109  -4.271
  182    HA   ASP 846           HA       ASP 846  12.457   0.609  -4.944
  183    HB2  ASP 846           HB2      ASP 846  14.682  -0.879  -5.155
  184    HB3  ASP 846           HB1      ASP 846  14.085  -1.015  -6.808
  185    H    GLU 847           HN       GLU 847  11.361  -2.431  -6.141
  186    HA   GLU 847           HA       GLU 847  10.577  -1.566  -8.726
  187    HB2  GLU 847           HB2      GLU 847  10.110  -3.944  -7.054
  188    HB3  GLU 847           HB1      GLU 847   8.762  -3.548  -8.106
  189    HG2  GLU 847           HG2      GLU 847  11.572  -3.814  -9.113
  190    HG3  GLU 847           HG1      GLU 847  10.467  -5.180  -8.980
  191    H    LEU 848           HN       LEU 848   8.736  -1.939  -5.699
  192    HA   LEU 848           HA       LEU 848   6.352  -0.845  -6.783
  193    HB2  LEU 848           HB2      LEU 848   5.469  -0.854  -4.582
  194    HB3  LEU 848           HB1      LEU 848   6.503  -2.264  -4.690
  195    HG   LEU 848           HG       LEU 848   8.168  -0.254  -3.711
  196   HD11  LEU 848          HD11      LEU 848   6.531   1.256  -3.098
  197   HD12  LEU 848          HD12      LEU 848   6.804   0.337  -1.617
  198   HD13  LEU 848          HD13      LEU 848   5.395  -0.006  -2.621
  199   HD21  LEU 848          HD21      LEU 848   6.703  -2.444  -2.256
  200   HD22  LEU 848          HD22      LEU 848   8.088  -1.550  -1.628
  201   HD23  LEU 848          HD23      LEU 848   8.271  -2.572  -3.055
  202    H    ARG 849           HN       ARG 849   9.234   0.479  -5.456
  203    HA   ARG 849           HA       ARG 849   8.263   3.120  -5.025
  204    HB2  ARG 849           HB2      ARG 849  10.236   2.176  -3.881
  205    HB3  ARG 849           HB1      ARG 849  11.093   2.120  -5.418
  206    HG2  ARG 849           HG2      ARG 849  11.397   4.393  -5.478
  207    HG3  ARG 849           HG1      ARG 849   9.972   4.713  -4.490
  208    HD2  ARG 849           HD2      ARG 849  11.987   5.205  -3.239
  209    HD3  ARG 849           HD1      ARG 849  11.135   3.837  -2.529
  210    HE   ARG 849           HE       ARG 849  13.216   3.103  -4.386
  211   HH11  ARG 849          HH11      ARG 849  12.387   3.812  -1.042
  212   HH12  ARG 849          HH12      ARG 849  13.759   2.962  -0.399
  213   HH21  ARG 849          HH21      ARG 849  15.064   2.065  -3.544
  214   HH22  ARG 849          HH22      ARG 849  15.292   1.981  -1.820
  215    H    ARG 850           HN       ARG 850   9.508   1.377  -7.760
  216    HA   ARG 850           HA       ARG 850   9.960   3.744  -9.345
  217    HB2  ARG 850           HB2      ARG 850  10.548   0.932  -9.521
  218    HB3  ARG 850           HB1      ARG 850   9.766   1.474 -11.004
  219    HG2  ARG 850           HG2      ARG 850  12.146   1.689 -11.259
  220    HG3  ARG 850           HG1      ARG 850  11.445   3.303 -11.170
  221    HD2  ARG 850           HD2      ARG 850  12.217   2.199  -8.574
  222    HD3  ARG 850           HD1      ARG 850  13.568   2.407  -9.683
  223    HE   ARG 850           HE       ARG 850  11.929   4.732  -9.592
  224   HH11  ARG 850          HH11      ARG 850  14.989   4.378  -7.013
  225   HH12  ARG 850          HH12      ARG 850  14.356   2.948  -7.779
  226   HH21  ARG 850          HH21      ARG 850  12.792   6.584  -8.651
  227   HH22  ARG 850          HH22      ARG 850  14.104   6.451  -7.518
  228    H    GLU 851           HN       GLU 851   7.466   1.438  -8.746
  229    HA   GLU 851           HA       GLU 851   5.809   2.250 -10.961
  230    HB2  GLU 851           HB2      GLU 851   5.294   0.432  -8.596
  231    HB3  GLU 851           HB1      GLU 851   4.116   0.754  -9.860
  232    HG2  GLU 851           HG2      GLU 851   6.742  -0.686 -10.093
  233    HG3  GLU 851           HG1      GLU 851   5.122  -1.301 -10.408
  234    H    LEU 852           HN       LEU 852   5.140   2.155  -7.465
  235    HA   LEU 852           HA       LEU 852   3.137   4.194  -7.657
  236    HB2  LEU 852           HB2      LEU 852   4.483   2.868  -5.311
  237    HB3  LEU 852           HB1      LEU 852   3.305   4.149  -5.116
  238    HG   LEU 852           HG       LEU 852   2.495   1.821  -6.764
  239   HD11  LEU 852          HD11      LEU 852   3.655   0.822  -4.800
  240   HD12  LEU 852          HD12      LEU 852   1.922   0.497  -4.842
  241   HD13  LEU 852          HD13      LEU 852   2.561   1.725  -3.749
  242   HD21  LEU 852          HD21      LEU 852   0.356   2.269  -5.608
  243   HD22  LEU 852          HD22      LEU 852   0.971   3.698  -6.444
  244   HD23  LEU 852          HD23      LEU 852   1.143   3.555  -4.695
  245    HA   PRO 853           HA       PRO 853   5.492   7.941  -7.306
  246    HB2  PRO 853           HB2      PRO 853   3.866   9.165  -5.345
  247    HB3  PRO 853           HB1      PRO 853   3.729   9.356  -7.094
  248    HG2  PRO 853           HG2      PRO 853   2.129   7.729  -5.258
  249    HG3  PRO 853           HG1      PRO 853   1.705   8.391  -6.845
  250    HD2  PRO 853           HD2      PRO 853   2.204   5.751  -6.397
  251    HD3  PRO 853           HD1      PRO 853   2.469   6.539  -7.963
  252    HA   PRO 854           HA       PRO 854   8.466   7.225  -4.081
  253    HB2  PRO 854           HB2      PRO 854   8.348  10.199  -3.885
  254    HB3  PRO 854           HB1      PRO 854   9.760   9.133  -3.947
  255    HG2  PRO 854           HG2      PRO 854   8.934  10.477  -6.112
  256    HG3  PRO 854           HG1      PRO 854   9.642   8.855  -6.220
  257    HD2  PRO 854           HD2      PRO 854   6.861   9.697  -6.653
  258    HD3  PRO 854           HD1      PRO 854   7.690   8.225  -7.189
  259    H    ASP 855           HN       ASP 855   6.183   9.861  -3.318
  260    HA   ASP 855           HA       ASP 855   6.347   9.694  -0.541
  261    HB2  ASP 855           HB2      ASP 855   4.105  10.604  -2.344
  262    HB3  ASP 855           HB1      ASP 855   4.044  10.755  -0.593
  263    H    GLN 856           HN       GLN 856   4.173   8.086  -2.769
  264    HA   GLN 856           HA       GLN 856   2.645   6.767  -0.739
  265    HB2  GLN 856           HB2      GLN 856   2.745   6.751  -3.697
  266    HB3  GLN 856           HB1      GLN 856   2.130   5.290  -2.941
  267    HG2  GLN 856           HG2      GLN 856   0.401   6.980  -3.603
  268    HG3  GLN 856           HG1      GLN 856   0.339   6.458  -1.925
  269   HE21  GLN 856          HE21      GLN 856   1.082   9.072  -4.094
  270   HE22  GLN 856          HE22      GLN 856   1.126  10.319  -2.895
  271    H    ALA 857           HN       ALA 857   5.197   5.771  -2.973
  272    HA   ALA 857           HA       ALA 857   5.370   3.098  -2.227
  273    HB1  ALA 857           HB1      ALA 857   7.505   3.049  -3.227
  274    HB2  ALA 857           HB2      ALA 857   7.764   4.769  -2.945
  275    HB3  ALA 857           HB3      ALA 857   6.570   4.240  -4.132
  276    H    GLU 858           HN       GLU 858   7.262   5.834  -0.895
  277    HA   GLU 858           HA       GLU 858   8.717   4.363   0.985
  278    HB2  GLU 858           HB2      GLU 858   7.785   7.232   0.964
  279    HB3  GLU 858           HB1      GLU 858   8.802   6.594   2.249
  280    HG2  GLU 858           HG2      GLU 858   9.521   6.576  -0.675
  281    HG3  GLU 858           HG1      GLU 858  10.057   7.793   0.485
  282    H    TYR 859           HN       TYR 859   5.518   5.828   1.197
  283    HA   TYR 859           HA       TYR 859   5.038   5.269   3.933
  284    HB2  TYR 859           HB2      TYR 859   3.703   6.777   2.254
  285    HB3  TYR 859           HB1      TYR 859   2.798   5.300   1.942
  286    HD1  TYR 859           HD1      TYR 859   3.899   7.564   4.635
  287    HD2  TYR 859           HD2      TYR 859   1.072   4.641   3.422
  288    HE1  TYR 859           HE1      TYR 859   2.603   8.013   6.660
  289    HE2  TYR 859           HE2      TYR 859  -0.255   5.089   5.446
  290    HH   TYR 859           HH       TYR 859   0.299   7.798   7.430
  291    H    CYS 860           HN       CYS 860   4.283   3.503   0.968
  292    HA   CYS 860           HA       CYS 860   2.951   1.324   2.193
  293    HB2  CYS 860           HB2      CYS 860   4.426   1.520  -0.451
  294    HB3  CYS 860           HB1      CYS 860   3.371   0.179   0.003
  295    HG   CYS 860           HG       CYS 860   2.570   3.353  -0.841
  296    H    ILE 861           HN       ILE 861   6.327   1.961   1.424
  297    HA   ILE 861           HA       ILE 861   7.360  -0.611   1.913
  298    HB   ILE 861           HB       ILE 861   8.610   2.120   2.141
  299   HG12  ILE 861          HG12      ILE 861   8.980  -0.053   0.074
  300   HG13  ILE 861          HG11      ILE 861   7.866   1.298  -0.088
  301   HG21  ILE 861          HG21      ILE 861   9.923  -0.566   2.549
  302   HG22  ILE 861          HG22      ILE 861   9.986   0.857   3.582
  303   HG23  ILE 861          HG23      ILE 861  10.828   0.856   2.035
  304   HD11  ILE 861          HD11      ILE 861   9.812   1.798  -1.334
  305   HD12  ILE 861          HD12      ILE 861  10.867   1.400   0.023
  306   HD13  ILE 861          HD13      ILE 861   9.829   2.826   0.097
  307    H    ALA 862           HN       ALA 862   6.724   2.122   4.079
  308    HA   ALA 862           HA       ALA 862   7.849   0.843   6.382
  309    HB1  ALA 862           HB1      ALA 862   7.647   3.313   6.143
  310    HB2  ALA 862           HB2      ALA 862   6.966   2.687   7.639
  311    HB3  ALA 862           HB3      ALA 862   5.900   3.149   6.315
  312    H    ARG 863           HN       ARG 863   4.773   0.867   4.813
  313    HA   ARG 863           HA       ARG 863   3.413  -0.247   7.126
  314    HB2  ARG 863           HB2      ARG 863   2.482   0.681   4.418
  315    HB3  ARG 863           HB1      ARG 863   1.419  -0.168   5.530
  316    HG2  ARG 863           HG2      ARG 863   2.841   2.390   6.228
  317    HG3  ARG 863           HG1      ARG 863   1.228   2.335   5.516
  318    HD2  ARG 863           HD2      ARG 863   1.491   0.579   7.818
  319    HD3  ARG 863           HD1      ARG 863   1.832   2.262   8.213
  320    HE   ARG 863           HE       ARG 863  -0.449   2.460   6.811
  321   HH11  ARG 863          HH11      ARG 863  -1.120   0.277  10.109
  322   HH12  ARG 863          HH12      ARG 863   0.485   0.397   9.463
  323   HH21  ARG 863          HH21      ARG 863  -2.577   2.303   7.663
  324   HH22  ARG 863          HH22      ARG 863  -2.857   1.351   9.088
  325    H    MET 864           HN       MET 864   5.470  -1.696   5.273
  326    HA   MET 864           HA       MET 864   3.761  -3.980   4.543
  327    HB2  MET 864           HB2      MET 864   6.468  -3.083   3.594
  328    HB3  MET 864           HB1      MET 864   5.962  -4.756   3.401
  329    HG2  MET 864           HG2      MET 864   3.972  -3.974   2.150
  330    HG3  MET 864           HG1      MET 864   4.588  -2.324   2.271
  331    HE1  MET 864           HE1      MET 864   3.717  -3.394  -0.272
  332    HE2  MET 864           HE2      MET 864   5.006  -3.429  -1.477
  333    HE3  MET 864           HE3      MET 864   4.727  -1.971  -0.524
  334    H    ALA 865           HN       ALA 865   5.219  -6.129   4.692
  335    HA   ALA 865           HA       ALA 865   6.313  -6.181   7.416
  336    HB1  ALA 865           HB1      ALA 865   4.128  -7.156   7.524
  337    HB2  ALA 865           HB2      ALA 865   5.323  -8.455   7.612
  338    HB3  ALA 865           HB3      ALA 865   4.457  -8.150   6.107
  339    HA   PRO 866           HA       PRO 866   9.869  -8.084   5.719
  340    HB2  PRO 866           HB2      PRO 866  10.380 -10.037   7.591
  341    HB3  PRO 866           HB1      PRO 866  10.800  -8.332   7.786
  342    HG2  PRO 866           HG2      PRO 866   8.451  -9.815   8.863
  343    HG3  PRO 866           HG1      PRO 866   9.461  -8.578   9.639
  344    HD2  PRO 866           HD2      PRO 866   7.055  -7.972   8.661
  345    HD3  PRO 866           HD1      PRO 866   8.414  -6.835   8.550
  346    H    TYR 867           HN       TYR 867   8.908  -8.947   3.903
  347    HA   TYR 867           HA       TYR 867   7.794 -10.504   2.584
  348    HB2  TYR 867           HB2      TYR 867   9.570 -12.407   2.163
  349    HB3  TYR 867           HB1      TYR 867   9.811 -10.764   1.621
  350    HD1  TYR 867           HD1      TYR 867  10.830  -9.422   4.013
  351    HD2  TYR 867           HD2      TYR 867  11.663 -13.326   2.514
  352    HE1  TYR 867           HE1      TYR 867  13.025  -9.365   5.108
  353    HE2  TYR 867           HE2      TYR 867  13.858 -13.272   3.624
  354    HH   TYR 867           HH       TYR 867  15.447 -11.800   4.501
  355    H    THR 868           HN       THR 868   9.347 -12.825   4.911
  356    HA   THR 868           HA       THR 868   8.501 -14.666   5.897
  357    HB   THR 868           HB       THR 868   5.860 -13.246   5.525
  358    HG1  THR 868           HG1      THR 868   7.652 -12.190   6.731
  359   HG21  THR 868          HG21      THR 868   5.010 -14.618   7.284
  360   HG22  THR 868          HG22      THR 868   6.592 -15.331   7.581
  361   HG23  THR 868          HG23      THR 868   5.722 -15.706   6.095
  362    H    GLY 869           HN       GLY 869   8.971 -16.251   4.482
  363    HA2  GLY 869           HA2      GLY 869   6.791 -17.534   3.161
  364    HA3  GLY 869           HA1      GLY 869   7.868 -16.741   2.021
  365    HA   PRO 870           HA       PRO 870   9.795 -20.851   2.977
  366    HB2  PRO 870           HB2      PRO 870   9.519 -22.030   0.589
  367    HB3  PRO 870           HB1      PRO 870   8.195 -22.022   1.764
  368    HG2  PRO 870           HG2      PRO 870   8.539 -20.383  -0.685
  369    HG3  PRO 870           HG1      PRO 870   7.061 -21.047   0.031
  370    HD2  PRO 870           HD2      PRO 870   7.942 -18.422   0.296
  371    HD3  PRO 870           HD1      PRO 870   6.734 -19.214   1.323
  372    H    ASP 871           HN       ASP 871  10.410 -18.155   1.353
  373    HA   ASP 871           HA       ASP 871  13.131 -18.925   0.733
  374    HB2  ASP 871           HB2      ASP 871  11.709 -19.230  -1.363
  375    HB3  ASP 871           HB1      ASP 871  11.481 -17.486  -1.352
  376    H    SER 872           HN       SER 872  14.263 -17.465   1.874
  377    HA   SER 872           HA       SER 872  13.138 -14.929   2.616
  378    HB2  SER 872           HB2      SER 872  14.696 -16.160   4.106
  379    HB3  SER 872           HB1      SER 872  15.980 -15.956   2.919
  380    HG   SER 872           HG       SER 872  15.218 -14.293   4.847
  381    H    VAL 873           HN       VAL 873  12.742 -13.790   0.820
  382    HA   VAL 873           HA       VAL 873  14.681 -13.322  -1.243
  383    HB   VAL 873           HB       VAL 873  12.934 -11.754  -2.125
  384   HG11  VAL 873          HG11      VAL 873  13.086 -14.174  -2.682
  385   HG12  VAL 873          HG12      VAL 873  11.456 -13.516  -2.818
  386   HG13  VAL 873          HG13      VAL 873  11.898 -14.495  -1.419
  387   HG21  VAL 873          HG21      VAL 873  11.795 -10.988  -0.206
  388   HG22  VAL 873          HG22      VAL 873  11.501 -12.628   0.382
  389   HG23  VAL 873          HG23      VAL 873  10.644 -12.028  -1.053
  390    HA   PRO 874           HA       PRO 874  16.398  -9.729   0.746
  391    HB2  PRO 874           HB2      PRO 874  18.417  -9.326  -0.959
  392    HB3  PRO 874           HB1      PRO 874  18.379 -10.755   0.085
  393    HG2  PRO 874           HG2      PRO 874  17.753 -10.532  -2.813
  394    HG3  PRO 874           HG1      PRO 874  18.563 -11.837  -1.924
  395    HD2  PRO 874           HD2      PRO 874  15.877 -11.811  -2.690
  396    HD3  PRO 874           HD1      PRO 874  16.610 -12.886  -1.484
  397    H    GLY 875           HN       GLY 875  15.812  -7.659   0.645
  398    HA2  GLY 875           HA2      GLY 875  15.343  -5.567  -0.230
  399    HA3  GLY 875           HA1      GLY 875  15.836  -6.155  -1.806
  400    H    ALA 876           HN       ALA 876  13.521  -8.093  -0.315
  401    HA   ALA 876           HA       ALA 876  11.330  -6.709  -1.695
  402    HB1  ALA 876           HB1      ALA 876  10.460  -8.869  -2.464
  403    HB2  ALA 876           HB2      ALA 876  11.891  -9.665  -1.809
  404    HB3  ALA 876           HB3      ALA 876  12.052  -8.521  -3.141
  405    H    LEU 877           HN       LEU 877   9.424  -6.703  -0.581
  406    HA   LEU 877           HA       LEU 877   9.363  -8.233   1.921
  407    HB2  LEU 877           HB2      LEU 877   9.529  -5.398   1.624
  408    HB3  LEU 877           HB1      LEU 877   7.980  -5.804   2.343
  409    HG   LEU 877           HG       LEU 877   9.238  -7.182   4.040
  410   HD11  LEU 877          HD11      LEU 877  11.616  -5.671   2.963
  411   HD12  LEU 877          HD12      LEU 877  11.315  -7.388   2.713
  412   HD13  LEU 877          HD13      LEU 877  11.598  -6.775   4.340
  413   HD21  LEU 877          HD21      LEU 877   9.960  -5.163   5.307
  414   HD22  LEU 877          HD22      LEU 877   8.340  -5.040   4.623
  415   HD23  LEU 877          HD23      LEU 877   9.690  -4.209   3.851
  416    H    ASP 878           HN       ASP 878   7.220  -8.506   2.850
  417    HA   ASP 878           HA       ASP 878   5.392  -9.420   0.885
  418    HB2  ASP 878           HB2      ASP 878   5.593 -10.493   3.093
  419    HB3  ASP 878           HB1      ASP 878   4.988  -9.027   3.861
  420    H    TYR 879           HN       TYR 879   4.063  -8.169  -0.298
  421    HA   TYR 879           HA       TYR 879   3.343  -5.543   0.660
  422    HB2  TYR 879           HB2      TYR 879   2.205  -5.297  -1.552
  423    HB3  TYR 879           HB1      TYR 879   3.914  -5.691  -1.683
  424    HD1  TYR 879           HD1      TYR 879   0.509  -7.178  -1.822
  425    HD2  TYR 879           HD2      TYR 879   4.589  -7.557  -2.972
  426    HE1  TYR 879           HE1      TYR 879  -0.086  -9.057  -3.289
  427    HE2  TYR 879           HE2      TYR 879   3.999  -9.439  -4.445
  428    HH   TYR 879           HH       TYR 879   2.381 -10.964  -4.921
  429    H    MET 880           HN       MET 880   1.908  -8.680   0.610
  430    HA   MET 880           HA       MET 880  -0.809  -8.087   0.455
  431    HB2  MET 880           HB2      MET 880   0.166 -10.360   0.378
  432    HB3  MET 880           HB1      MET 880   0.537 -10.231   2.090
  433    HG2  MET 880           HG2      MET 880  -1.937  -9.912   2.483
  434    HG3  MET 880           HG1      MET 880  -2.170 -10.371   0.798
  435    HE1  MET 880           HE1      MET 880   0.662 -11.893   3.094
  436    HE2  MET 880           HE2      MET 880  -0.253 -13.140   3.946
  437    HE3  MET 880           HE3      MET 880  -0.636 -11.439   4.194
  438    H    SER 881           HN       SER 881   1.443  -7.754   3.044
  439    HA   SER 881           HA       SER 881  -0.389  -7.522   5.207
  440    HB2  SER 881           HB2      SER 881   2.417  -6.453   4.878
  441    HB3  SER 881           HB1      SER 881   1.527  -6.507   6.406
  442    HG   SER 881           HG       SER 881   2.249  -8.732   4.762
  443    H    PHE 882           HN       PHE 882   0.877  -5.246   2.883
  444    HA   PHE 882           HA       PHE 882  -0.013  -2.901   4.190
  445    HB2  PHE 882           HB2      PHE 882   1.676  -2.680   2.499
  446    HB3  PHE 882           HB1      PHE 882   0.654  -3.460   1.292
  447    HD1  PHE 882           HD1      PHE 882   0.281  -0.622   3.696
  448    HD2  PHE 882           HD2      PHE 882  -0.151  -2.032  -0.305
  449    HE1  PHE 882           HE1      PHE 882  -0.616   1.564   3.025
  450    HE2  PHE 882           HE2      PHE 882  -1.056   0.160  -0.978
  451    HZ   PHE 882           HZ       PHE 882  -1.289   1.953   0.688
  452    H    SER 883           HN       SER 883  -1.391  -4.917   1.626
  453    HA   SER 883           HA       SER 883  -3.737  -3.391   1.305
  454    HB2  SER 883           HB2      SER 883  -4.091  -6.224   0.738
  455    HB3  SER 883           HB1      SER 883  -4.107  -4.847  -0.365
  456    HG   SER 883           HG       SER 883  -2.362  -6.438  -0.693
  457    H    THR 884           HN       THR 884  -2.820  -5.953   3.512
  458    HA   THR 884           HA       THR 884  -5.443  -6.506   4.498
  459    HB   THR 884           HB       THR 884  -2.763  -6.996   5.846
  460    HG1  THR 884           HG1      THR 884  -2.900  -8.088   3.839
  461   HG21  THR 884          HG21      THR 884  -3.930  -8.714   7.130
  462   HG22  THR 884          HG22      THR 884  -5.447  -8.292   6.338
  463   HG23  THR 884          HG23      THR 884  -4.657  -7.131   7.407
  464    H    ALA 885           HN       ALA 885  -2.743  -4.498   5.680
  465    HA   ALA 885           HA       ALA 885  -4.057  -3.560   7.996
  466    HB1  ALA 885           HB1      ALA 885  -1.858  -2.279   6.376
  467    HB2  ALA 885           HB2      ALA 885  -1.647  -3.386   7.736
  468    HB3  ALA 885           HB3      ALA 885  -2.351  -1.790   7.997
  469    H    LEU 886           HN       LEU 886  -4.006  -2.507   4.669
  470    HA   LEU 886           HA       LEU 886  -5.379  -0.044   5.101
  471    HB2  LEU 886           HB2      LEU 886  -3.855  -0.567   3.175
  472    HB3  LEU 886           HB1      LEU 886  -5.118  -1.611   2.546
  473    HG   LEU 886           HG       LEU 886  -6.634   0.400   2.485
  474   HD11  LEU 886          HD11      LEU 886  -4.136   1.678   3.463
  475   HD12  LEU 886          HD12      LEU 886  -5.820   2.049   3.844
  476   HD13  LEU 886          HD13      LEU 886  -5.126   2.565   2.306
  477   HD21  LEU 886          HD21      LEU 886  -4.133   0.624   0.821
  478   HD22  LEU 886          HD22      LEU 886  -5.749   1.208   0.418
  479   HD23  LEU 886          HD23      LEU 886  -5.441  -0.523   0.533
  480    H    TYR 887           HN       TYR 887  -6.318  -3.349   4.300
  481    HA   TYR 887           HA       TYR 887  -8.958  -2.836   3.481
  482    HB2  TYR 887           HB2      TYR 887  -7.661  -4.996   3.222
  483    HB3  TYR 887           HB1      TYR 887  -8.014  -5.316   4.915
  484    HD1  TYR 887           HD1      TYR 887 -10.048  -6.311   5.540
  485    HD2  TYR 887           HD2      TYR 887  -9.641  -4.639   1.643
  486    HE1  TYR 887           HE1      TYR 887 -12.212  -7.261   4.913
  487    HE2  TYR 887           HE2      TYR 887 -11.821  -5.597   1.007
  488    HH   TYR 887           HH       TYR 887 -14.066  -6.578   3.068
  489    H    GLY 888           HN       GLY 888  -7.507  -3.398   6.647
  490    HA2  GLY 888           HA2      GLY 888 -10.035  -3.473   8.021
  491    HA3  GLY 888           HA1      GLY 888  -8.442  -3.405   8.760
  492    H    GLU 889           HN       GLU 889 -11.061  -1.495   7.391
  493    HA   GLU 889           HA       GLU 889  -9.766   1.002   7.943
  494    HB2  GLU 889           HB2      GLU 889 -12.015   0.150   6.474
  495    HB3  GLU 889           HB1      GLU 889 -12.626   1.241   7.708
  496    HG2  GLU 889           HG2      GLU 889 -10.245   2.172   6.250
  497    HG3  GLU 889           HG1      GLU 889 -11.725   2.030   5.305
  498    H    SER 890           HN       SER 890 -10.795   2.650   9.375
  499    HA   SER 890           HA       SER 890 -11.386   1.425  11.963
  500    HB2  SER 890           HB2      SER 890 -10.855   4.327  11.256
  501    HB3  SER 890           HB1      SER 890 -10.944   3.661  12.886
  502    HG   SER 890           HG       SER 890  -9.187   2.188  11.921
  503    H    ASP 891           HN       ASP 891 -12.989   2.575   9.323
  504    HA   ASP 891           HA       ASP 891 -15.541   2.656  10.686
  505    HB2  ASP 891           HB2      ASP 891 -15.353   4.948  10.878
  506    HB3  ASP 891           HB1      ASP 891 -14.246   5.076   9.517
  507    H    LEU 892           HN       LEU 892 -16.898   1.535   9.454
  508    HA   LEU 892           HA       LEU 892 -16.842   1.739   6.579
  509    HB2  LEU 892           HB2      LEU 892 -15.089  -0.017   7.231
  510    HB3  LEU 892           HB1      LEU 892 -16.426  -0.989   7.807
  511    HG   LEU 892           HG       LEU 892 -17.381  -0.977   5.504
  512   HD11  LEU 892          HD11      LEU 892 -14.739   0.248   4.721
  513   HD12  LEU 892          HD12      LEU 892 -16.295   1.076   4.689
  514   HD13  LEU 892          HD13      LEU 892 -16.005  -0.296   3.617
  515   HD21  LEU 892          HD21      LEU 892 -15.984  -2.808   6.412
  516   HD22  LEU 892          HD22      LEU 892 -14.574  -2.064   5.662
  517   HD23  LEU 892          HD23      LEU 892 -15.892  -2.668   4.656
  518    H1   GLY1646           HT1      GLY1646   0.463  -5.676 -16.648
  519    H2   GLY1646           HT2      GLY1646  -0.862  -5.139 -17.552
  520    H3   GLY1646           HT3      GLY1646  -0.853  -4.958 -15.872
  521    HA2  GLY1646           HA1      GLY1646   1.199  -3.683 -17.561
  522    HA3  GLY1646           HA2      GLY1646  -0.350  -2.912 -17.249
  523    H    LYS1647           HN       LYS1647   2.700  -2.714 -16.319
  524    HA   LYS1647           HA       LYS1647   2.677  -2.953 -13.527
  525    HB2  LYS1647           HB2      LYS1647   4.337  -1.236 -15.363
  526    HB3  LYS1647           HB1      LYS1647   4.604  -1.323 -13.629
  527    HG2  LYS1647           HG2      LYS1647   4.644  -3.765 -15.376
  528    HG3  LYS1647           HG1      LYS1647   6.071  -2.767 -15.097
  529    HD2  LYS1647           HD2      LYS1647   5.101  -3.146 -12.563
  530    HD3  LYS1647           HD1      LYS1647   4.764  -4.695 -13.340
  531    HE2  LYS1647           HE2      LYS1647   6.938  -4.791 -12.318
  532    HE3  LYS1647           HE1      LYS1647   7.126  -4.795 -14.070
  533    HZ1  LYS1647           HZ1      LYS1647   8.486  -3.201 -12.394
  534    HZ2  LYS1647           HZ2      LYS1647   7.218  -2.163 -12.843
  535    HZ3  LYS1647           HZ3      LYS1647   8.215  -2.849 -14.029
  536    H    PHE1648           HN       PHE1648   2.523   0.066 -15.429
  537    HA   PHE1648           HA       PHE1648   1.836   1.696 -13.243
  538    HB2  PHE1648           HB2      PHE1648   1.759   2.046 -16.214
  539    HB3  PHE1648           HB1      PHE1648   0.992   3.243 -15.180
  540    HD1  PHE1648           HD1      PHE1648   2.678   3.706 -13.014
  541    HD2  PHE1648           HD2      PHE1648   3.805   2.769 -17.012
  542    HE1  PHE1648           HE1      PHE1648   4.842   4.816 -12.665
  543    HE2  PHE1648           HE2      PHE1648   5.973   3.883 -16.654
  544    HZ   PHE1648           HZ       PHE1648   6.487   4.903 -14.478
  545    H    TYR1649           HN       TYR1649  -0.078  -0.244 -15.388
  546    HA   TYR1649           HA       TYR1649  -2.575   0.951 -15.023
  547    HB2  TYR1649           HB2      TYR1649  -2.388  -0.739 -16.706
  548    HB3  TYR1649           HB1      TYR1649  -1.814  -1.934 -15.549
  549    HD1  TYR1649           HD1      TYR1649  -3.303  -3.366 -14.497
  550    HD2  TYR1649           HD2      TYR1649  -4.810   0.108 -16.442
  551    HE1  TYR1649           HE1      TYR1649  -5.605  -4.163 -14.127
  552    HE2  TYR1649           HE2      TYR1649  -7.113  -0.678 -16.069
  553    HH   TYR1649           HH       TYR1649  -8.274  -2.869 -15.697
  554    H    ALA1650           HN       ALA1650  -0.831  -1.428 -13.094
  555    HA   ALA1650           HA       ALA1650  -2.946  -1.814 -11.189
  556    HB1  ALA1650           HB1      ALA1650   0.004  -2.417 -10.925
  557    HB2  ALA1650           HB2      ALA1650  -1.197  -3.519 -11.599
  558    HB3  ALA1650           HB3      ALA1650  -1.287  -3.047  -9.901
  559    H    THR1651           HN       THR1651  -0.066   0.154 -11.437
  560    HA   THR1651           HA       THR1651  -0.031   1.252  -8.870
  561    HB   THR1651           HB       THR1651   0.777   2.591 -11.454
  562    HG1  THR1651           HG1      THR1651   2.385   1.214 -11.457
  563   HG21  THR1651          HG21      THR1651   2.542   3.501  -9.701
  564   HG22  THR1651          HG22      THR1651   1.221   3.196  -8.575
  565   HG23  THR1651          HG23      THR1651   0.986   4.295  -9.933
  566    H    PHE1652           HN       PHE1652  -1.616   2.432 -11.836
  567    HA   PHE1652           HA       PHE1652  -2.783   4.741 -10.744
  568    HB2  PHE1652           HB2      PHE1652  -2.609   4.348 -13.153
  569    HB3  PHE1652           HB1      PHE1652  -3.728   2.996 -13.028
  570    HD1  PHE1652           HD1      PHE1652  -3.563   6.648 -12.226
  571    HD2  PHE1652           HD2      PHE1652  -5.957   3.366 -13.524
  572    HE1  PHE1652           HE1      PHE1652  -5.445   8.165 -12.633
  573    HE2  PHE1652           HE2      PHE1652  -7.841   4.905 -13.905
  574    HZ   PHE1652           HZ       PHE1652  -7.571   7.300 -13.466
  575    H    LEU1653           HN       LEU1653  -3.860   1.385 -10.865
  576    HA   LEU1653           HA       LEU1653  -6.509   1.753 -10.073
  577    HB2  LEU1653           HB2      LEU1653  -4.630  -0.558  -9.587
  578    HB3  LEU1653           HB1      LEU1653  -6.332  -0.595  -9.161
  579    HG   LEU1653           HG       LEU1653  -5.170  -0.368 -11.944
  580   HD11  LEU1653          HD11      LEU1653  -6.967  -2.468 -10.749
  581   HD12  LEU1653          HD12      LEU1653  -5.210  -2.612 -10.808
  582   HD13  LEU1653          HD13      LEU1653  -6.138  -2.512 -12.305
  583   HD21  LEU1653          HD21      LEU1653  -7.170   1.040 -11.750
  584   HD22  LEU1653          HD22      LEU1653  -8.063  -0.324 -11.082
  585   HD23  LEU1653          HD23      LEU1653  -7.479  -0.382 -12.744
  586    H    ILE1654           HN       ILE1654  -3.574   1.400  -8.163
  587    HA   ILE1654           HA       ILE1654  -4.875   1.441  -5.625
  588    HB   ILE1654           HB       ILE1654  -1.976   2.064  -6.255
  589   HG12  ILE1654          HG12      ILE1654  -3.003  -0.586  -5.259
  590   HG13  ILE1654          HG11      ILE1654  -2.990  -0.232  -6.982
  591   HG21  ILE1654          HG21      ILE1654  -1.553   1.514  -3.939
  592   HG22  ILE1654          HG22      ILE1654  -3.252   1.115  -3.692
  593   HG23  ILE1654          HG23      ILE1654  -2.776   2.781  -4.021
  594   HD11  ILE1654          HD11      ILE1654  -0.574   0.158  -6.867
  595   HD12  ILE1654          HD12      ILE1654  -1.013  -1.469  -6.334
  596   HD13  ILE1654          HD13      ILE1654  -0.609  -0.227  -5.145
  597    H    GLN1655           HN       GLN1655  -3.280   3.868  -7.655
  598    HA   GLN1655           HA       GLN1655  -3.456   6.001  -5.824
  599    HB2  GLN1655           HB2      GLN1655  -3.377   6.109  -8.846
  600    HB3  GLN1655           HB1      GLN1655  -3.114   7.476  -7.773
  601    HG2  GLN1655           HG2      GLN1655  -1.135   6.380  -6.842
  602    HG3  GLN1655           HG1      GLN1655  -1.400   4.999  -7.901
  603   HE21  GLN1655          HE21      GLN1655  -0.371   8.337  -7.740
  604   HE22  GLN1655          HE22      GLN1655   0.352   8.385  -9.311
  605    H    GLU1656           HN       GLU1656  -5.618   4.909  -8.415
  606    HA   GLU1656           HA       GLU1656  -7.543   6.945  -8.154
  607    HB2  GLU1656           HB2      GLU1656  -7.344   5.321 -10.054
  608    HB3  GLU1656           HB1      GLU1656  -8.050   4.091  -9.016
  609    HG2  GLU1656           HG2      GLU1656  -9.692   5.047 -10.523
  610    HG3  GLU1656           HG1      GLU1656 -10.098   5.394  -8.845
  611    H    TYR1657           HN       TYR1657  -7.096   3.922  -6.417
  612    HA   TYR1657           HA       TYR1657  -9.611   3.944  -5.102
  613    HB2  TYR1657           HB2      TYR1657  -8.052   1.965  -5.259
  614    HB3  TYR1657           HB1      TYR1657  -7.050   2.741  -4.036
  615    HD1  TYR1657           HD1      TYR1657  -7.869   2.974  -1.722
  616    HD2  TYR1657           HD2      TYR1657 -10.144   0.915  -4.675
  617    HE1  TYR1657           HE1      TYR1657  -9.237   1.964   0.051
  618    HE2  TYR1657           HE2      TYR1657 -11.514  -0.105  -2.896
  619    HH   TYR1657           HH       TYR1657 -11.054  -0.620  -0.264
  620    H    PHE1658           HN       PHE1658  -6.521   5.459  -4.492
  621    HA   PHE1658           HA       PHE1658  -7.039   6.322  -1.844
  622    HB2  PHE1658           HB2      PHE1658  -5.044   6.877  -3.913
  623    HB3  PHE1658           HB1      PHE1658  -5.379   8.261  -2.876
  624    HD1  PHE1658           HD1      PHE1658  -4.941   8.141  -0.464
  625    HD2  PHE1658           HD2      PHE1658  -3.965   4.938  -3.078
  626    HE1  PHE1658           HE1      PHE1658  -3.504   7.171   1.280
  627    HE2  PHE1658           HE2      PHE1658  -2.529   3.955  -1.344
  628    HZ   PHE1658           HZ       PHE1658  -2.300   5.068   0.841
  629    H    ARG1659           HN       ARG1659  -7.600   7.724  -5.007
  630    HA   ARG1659           HA       ARG1659  -8.593  10.217  -4.122
  631    HB2  ARG1659           HB2      ARG1659  -8.830   8.689  -6.706
  632    HB3  ARG1659           HB1      ARG1659  -9.673  10.211  -6.467
  633    HG2  ARG1659           HG2      ARG1659  -7.853  11.306  -7.065
  634    HG3  ARG1659           HG1      ARG1659  -6.993  10.611  -5.691
  635    HD2  ARG1659           HD2      ARG1659  -5.776  10.112  -7.712
  636    HD3  ARG1659           HD1      ARG1659  -6.459   8.629  -7.062
  637    HE   ARG1659           HE       ARG1659  -8.236   8.858  -8.797
  638   HH11  ARG1659          HH11      ARG1659  -5.204  10.362 -10.979
  639   HH12  ARG1659          HH12      ARG1659  -5.111  10.371  -9.248
  640   HH21  ARG1659          HH21      ARG1659  -7.056   9.487 -12.030
  641   HH22  ARG1659          HH22      ARG1659  -8.359   8.809 -11.094
  642    H    LYS1660           HN       LYS1660 -10.181   7.132  -4.966
  643    HA   LYS1660           HA       LYS1660 -12.797   8.228  -4.555
  644    HB2  LYS1660           HB2      LYS1660 -13.662   6.056  -4.976
  645    HB3  LYS1660           HB1      LYS1660 -12.332   6.309  -6.091
  646    HG2  LYS1660           HG2      LYS1660 -11.702   4.280  -5.462
  647    HG3  LYS1660           HG1      LYS1660 -11.065   5.089  -4.030
  648    HD2  LYS1660           HD2      LYS1660 -12.352   3.210  -3.315
  649    HD3  LYS1660           HD1      LYS1660 -13.271   4.670  -2.922
  650    HE2  LYS1660           HE2      LYS1660 -14.510   4.328  -5.090
  651    HE3  LYS1660           HE1      LYS1660 -13.708   2.762  -5.216
  652    HZ1  LYS1660           HZ1      LYS1660 -15.672   3.666  -3.209
  653    HZ2  LYS1660           HZ2      LYS1660 -14.653   2.349  -2.910
  654    HZ3  LYS1660           HZ3      LYS1660 -15.733   2.305  -4.210
  655    H    PHE1661           HN       PHE1661 -10.427   6.722  -2.552
  656    HA   PHE1661           HA       PHE1661 -12.057   5.868  -0.428
  657    HB2  PHE1661           HB2      PHE1661  -9.568   5.386  -0.888
  658    HB3  PHE1661           HB1      PHE1661  -9.255   6.918  -0.087
  659    HD1  PHE1661           HD1      PHE1661 -11.086   3.720   0.444
  660    HD2  PHE1661           HD2      PHE1661  -8.887   6.939   2.152
  661    HE1  PHE1661           HE1      PHE1661 -11.131   2.585   2.633
  662    HE2  PHE1661           HE2      PHE1661  -8.929   5.827   4.338
  663    HZ   PHE1661           HZ       PHE1661 -10.040   3.643   4.587
  664    H    LYS1662           HN       LYS1662 -10.487   8.964  -1.114
  665    HA   LYS1662           HA       LYS1662 -11.231  10.243   1.286
  666    HB2  LYS1662           HB2      LYS1662 -10.842  11.543  -1.426
  667    HB3  LYS1662           HB1      LYS1662 -10.776  12.352   0.131
  668    HG2  LYS1662           HG2      LYS1662  -8.843  10.663   0.607
  669    HG3  LYS1662           HG1      LYS1662  -8.777  10.539  -1.149
  670    HD2  LYS1662           HD2      LYS1662  -8.350  12.890  -1.362
  671    HD3  LYS1662           HD1      LYS1662  -8.657  13.157   0.351
  672    HE2  LYS1662           HE2      LYS1662  -6.395  11.485  -0.749
  673    HE3  LYS1662           HE1      LYS1662  -6.240  13.162  -0.233
  674    HZ1  LYS1662           HZ1      LYS1662  -6.616  10.740   1.404
  675    HZ2  LYS1662           HZ2      LYS1662  -7.227  12.206   1.978
  676    HZ3  LYS1662           HZ3      LYS1662  -5.575  12.053   1.650
  677    H    LYS1663           HN       LYS1663 -12.762  10.094  -1.878
  678    HA   LYS1663           HA       LYS1663 -14.986  11.687  -1.362
  679    HB2  LYS1663           HB2      LYS1663 -14.747   9.303  -3.210
  680    HB3  LYS1663           HB1      LYS1663 -16.044  10.486  -3.258
  681    HG2  LYS1663           HG2      LYS1663 -14.428  12.233  -3.807
  682    HG3  LYS1663           HG1      LYS1663 -13.132  11.037  -3.767
  683    HD2  LYS1663           HD2      LYS1663 -14.235   9.809  -5.601
  684    HD3  LYS1663           HD1      LYS1663 -15.497  11.041  -5.652
  685    HE2  LYS1663           HE2      LYS1663 -13.998  11.597  -7.389
  686    HE3  LYS1663           HE1      LYS1663 -13.621  12.715  -6.077
  687    HZ1  LYS1663           HZ1      LYS1663 -12.131  10.257  -6.799
  688    HZ2  LYS1663           HZ2      LYS1663 -11.819  11.184  -5.421
  689    HZ3  LYS1663           HZ3      LYS1663 -11.597  11.854  -6.956
  690    H    ARG1664           HN       ARG1664 -14.470   8.216  -0.952
  691    HA   ARG1664           HA       ARG1664 -17.000   7.419  -0.129
  692    HB2  ARG1664           HB2      ARG1664 -14.736   6.060  -0.498
  693    HB3  ARG1664           HB1      ARG1664 -14.581   6.266   1.239
  694    HG2  ARG1664           HG2      ARG1664 -16.985   5.023  -0.089
  695    HG3  ARG1664           HG1      ARG1664 -15.610   4.103   0.519
  696    HD2  ARG1664           HD2      ARG1664 -17.325   5.934   2.192
  697    HD3  ARG1664           HD1      ARG1664 -17.542   4.192   2.079
  698    HE   ARG1664           HE       ARG1664 -14.952   4.494   2.865
  699   HH11  ARG1664          HH11      ARG1664 -17.527   5.636   5.751
  700   HH12  ARG1664          HH12      ARG1664 -18.045   5.609   4.089
  701   HH21  ARG1664          HH21      ARG1664 -14.297   4.440   5.079
  702   HH22  ARG1664          HH22      ARG1664 -15.409   4.964   6.314
  703    H    LYS1665           HN       LYS1665 -14.329   8.733   1.771
  704    HA   LYS1665           HA       LYS1665 -15.504   8.466   4.314
  705    HB2  LYS1665           HB2      LYS1665 -13.043   9.051   3.432
  706    HB3  LYS1665           HB1      LYS1665 -13.584  10.677   3.830
  707    HG2  LYS1665           HG2      LYS1665 -12.366   9.635   5.682
  708    HG3  LYS1665           HG1      LYS1665 -14.037   9.993   6.124
  709    HD2  LYS1665           HD2      LYS1665 -14.662   7.688   5.875
  710    HD3  LYS1665           HD1      LYS1665 -13.095   7.282   5.179
  711    HE2  LYS1665           HE2      LYS1665 -12.011   7.789   7.308
  712    HE3  LYS1665           HE1      LYS1665 -13.562   8.257   7.997
  713    HZ1  LYS1665           HZ1      LYS1665 -12.988   5.527   6.957
  714    HZ2  LYS1665           HZ2      LYS1665 -14.336   6.027   7.858
  715    HZ3  LYS1665           HZ3      LYS1665 -12.805   5.982   8.576
  716    H    GLU1666           HN       GLU1666 -15.829  10.867   1.836
  717    HA   GLU1666           HA       GLU1666 -16.985  12.858   3.578
  718    HB2  GLU1666           HB2      GLU1666 -17.052  12.801   0.563
  719    HB3  GLU1666           HB1      GLU1666 -17.258  14.197   1.609
  720    HG2  GLU1666           HG2      GLU1666 -14.807  13.397   2.369
  721    HG3  GLU1666           HG1      GLU1666 -14.807  12.879   0.681
  722    H    GLN1667           HN       GLN1667 -18.077  10.029   2.217
  723    HA   GLN1667           HA       GLN1667 -20.797  11.066   1.973
  724    HB2  GLN1667           HB2      GLN1667 -19.495   8.557   0.922
  725    HB3  GLN1667           HB1      GLN1667 -21.228   8.855   0.846
  726    HG2  GLN1667           HG2      GLN1667 -19.164  10.673  -0.352
  727    HG3  GLN1667           HG1      GLN1667 -19.993   9.388  -1.235
  728   HE21  GLN1667          HE21      GLN1667 -22.226   9.558  -1.574
  729   HE22  GLN1667          HE22      GLN1667 -23.032  11.087  -1.477
  730    H    GLY1668           HN       GLY1668 -19.522   7.872   2.823
  731    HA2  GLY1668           HA2      GLY1668 -19.855   7.548   5.422
  732    HA3  GLY1668           HA1      GLY1668 -21.537   7.658   4.908
  Start of MODEL    3
    1    H1   ASP 822           HT1      ASP 822 -15.042  -9.458  -5.433
    2    H2   ASP 822           HT2      ASP 822 -15.560  -8.020  -4.708
    3    H3   ASP 822           HT3      ASP 822 -14.573  -7.967  -6.081
    4    HA   ASP 822           HA       ASP 822 -16.281  -8.936  -7.423
    5    HB2  ASP 822           HB2      ASP 822 -17.278 -10.264  -5.551
    6    HB3  ASP 822           HB1      ASP 822 -18.020  -8.782  -4.954
    7    H    THR 823           HN       THR 823 -17.627  -6.815  -4.853
    8    HA   THR 823           HA       THR 823 -18.272  -4.839  -6.916
    9    HB   THR 823           HB       THR 823 -18.992  -4.353  -4.061
   10    HG1  THR 823           HG1      THR 823 -19.981  -6.469  -5.639
   11   HG21  THR 823          HG21      THR 823 -20.483  -4.022  -6.666
   12   HG22  THR 823          HG22      THR 823 -19.581  -2.756  -5.832
   13   HG23  THR 823          HG23      THR 823 -21.020  -3.452  -5.085
   14    H    ASP 824           HN       ASP 824 -15.963  -5.509  -4.581
   15    HA   ASP 824           HA       ASP 824 -15.174  -2.751  -4.119
   16    HB2  ASP 824           HB2      ASP 824 -13.440  -3.791  -2.650
   17    HB3  ASP 824           HB1      ASP 824 -15.081  -4.252  -2.213
   18    H    THR 825           HN       THR 825 -12.397  -3.151  -3.947
   19    HA   THR 825           HA       THR 825 -11.529  -4.056  -6.577
   20    HB   THR 825           HB       THR 825 -10.368  -1.448  -5.808
   21    HG1  THR 825           HG1      THR 825 -12.497  -0.776  -7.176
   22   HG21  THR 825          HG21      THR 825 -11.425  -2.566  -8.410
   23   HG22  THR 825          HG22      THR 825  -9.749  -2.634  -7.867
   24   HG23  THR 825          HG23      THR 825 -10.496  -1.078  -8.228
   25    H    ALA 826           HN       ALA 826 -11.251  -4.373  -3.466
   26    HA   ALA 826           HA       ALA 826  -8.458  -4.029  -2.941
   27    HB1  ALA 826           HB1      ALA 826 -10.486  -5.731  -1.484
   28    HB2  ALA 826           HB2      ALA 826 -10.128  -4.040  -1.134
   29    HB3  ALA 826           HB3      ALA 826  -8.892  -5.274  -0.885
   30    H    ASP 827           HN       ASP 827 -10.513  -6.886  -3.468
   31    HA   ASP 827           HA       ASP 827  -8.508  -8.820  -3.599
   32    HB2  ASP 827           HB2      ASP 827 -10.915  -9.351  -3.446
   33    HB3  ASP 827           HB1      ASP 827 -11.158  -8.734  -5.075
   34    H    GLN 828           HN       GLN 828  -9.800  -6.644  -6.019
   35    HA   GLN 828           HA       GLN 828  -8.438  -7.745  -8.252
   36    HB2  GLN 828           HB2      GLN 828  -9.504  -4.943  -7.858
   37    HB3  GLN 828           HB1      GLN 828  -9.072  -5.680  -9.398
   38    HG2  GLN 828           HG2      GLN 828 -11.263  -6.628  -7.560
   39    HG3  GLN 828           HG1      GLN 828 -11.497  -5.667  -9.018
   40   HE21  GLN 828          HE21      GLN 828 -10.834  -8.792  -7.715
   41   HE22  GLN 828          HE22      GLN 828 -10.944  -9.673  -9.198
   42    H    VAL 829           HN       VAL 829  -7.717  -5.081  -6.013
   43    HA   VAL 829           HA       VAL 829  -5.328  -4.245  -7.237
   44    HB   VAL 829           HB       VAL 829  -6.446  -3.953  -4.472
   45   HG11  VAL 829          HG11      VAL 829  -4.494  -2.700  -3.739
   46   HG12  VAL 829          HG12      VAL 829  -3.677  -3.041  -5.264
   47   HG13  VAL 829          HG13      VAL 829  -4.029  -4.355  -4.142
   48   HG21  VAL 829          HG21      VAL 829  -5.966  -1.506  -5.153
   49   HG22  VAL 829          HG22      VAL 829  -7.303  -2.359  -5.928
   50   HG23  VAL 829          HG23      VAL 829  -5.769  -2.169  -6.776
   51    H    MET 830           HN       MET 830  -5.954  -6.655  -4.714
   52    HA   MET 830           HA       MET 830  -3.315  -7.357  -4.129
   53    HB2  MET 830           HB2      MET 830  -5.957  -8.744  -3.899
   54    HB3  MET 830           HB1      MET 830  -4.496  -9.699  -3.695
   55    HG2  MET 830           HG2      MET 830  -5.012  -7.191  -2.134
   56    HG3  MET 830           HG1      MET 830  -5.569  -8.777  -1.605
   57    HE1  MET 830           HE1      MET 830  -3.040 -10.734  -2.454
   58    HE2  MET 830           HE2      MET 830  -4.106 -10.747  -1.050
   59    HE3  MET 830           HE3      MET 830  -2.358 -10.717  -0.830
   60    H    ALA 831           HN       ALA 831  -5.555  -8.764  -6.514
   61    HA   ALA 831           HA       ALA 831  -3.750 -10.701  -7.512
   62    HB1  ALA 831           HB1      ALA 831  -6.197 -10.808  -7.850
   63    HB2  ALA 831           HB2      ALA 831  -5.302 -10.948  -9.364
   64    HB3  ALA 831           HB3      ALA 831  -6.087  -9.427  -8.942
   65    H    SER 832           HN       SER 832  -4.576  -7.426  -8.599
   66    HA   SER 832           HA       SER 832  -2.934  -7.385 -10.887
   67    HB2  SER 832           HB2      SER 832  -3.859  -5.132  -9.071
   68    HB3  SER 832           HB1      SER 832  -3.060  -4.891 -10.622
   69    HG   SER 832           HG       SER 832  -5.506  -4.942 -10.460
   70    H    PHE 833           HN       PHE 833  -2.325  -6.521  -7.513
   71    HA   PHE 833           HA       PHE 833   0.318  -5.607  -7.772
   72    HB2  PHE 833           HB2      PHE 833  -1.498  -6.202  -5.647
   73    HB3  PHE 833           HB1      PHE 833   0.006  -7.052  -5.316
   74    HD1  PHE 833           HD1      PHE 833   2.186  -5.570  -5.632
   75    HD2  PHE 833           HD2      PHE 833  -1.723  -4.067  -4.889
   76    HE1  PHE 833           HE1      PHE 833   3.159  -3.492  -4.739
   77    HE2  PHE 833           HE2      PHE 833  -0.761  -1.987  -3.999
   78    HZ   PHE 833           HZ       PHE 833   1.683  -1.696  -3.922
   79    H    LYS 834           HN       LYS 834  -0.883  -8.783  -6.686
   80    HA   LYS 834           HA       LYS 834   1.357 -10.259  -6.600
   81    HB2  LYS 834           HB2      LYS 834  -1.287 -10.884  -6.559
   82    HB3  LYS 834           HB1      LYS 834  -0.819 -11.588  -8.102
   83    HG2  LYS 834           HG2      LYS 834   1.126 -12.642  -6.751
   84    HG3  LYS 834           HG1      LYS 834   0.107 -12.294  -5.354
   85    HD2  LYS 834           HD2      LYS 834  -1.724 -13.570  -6.414
   86    HD3  LYS 834           HD1      LYS 834  -0.642 -13.965  -7.753
   87    HE2  LYS 834           HE2      LYS 834   0.925 -14.943  -6.024
   88    HE3  LYS 834           HE1      LYS 834  -0.395 -14.782  -4.867
   89    HZ1  LYS 834           HZ1      LYS 834  -0.373 -16.426  -7.334
   90    HZ2  LYS 834           HZ2      LYS 834  -1.748 -16.178  -6.379
   91    HZ3  LYS 834           HZ3      LYS 834  -0.405 -16.982  -5.737
   92    H    ILE 835           HN       ILE 835  -0.457  -9.517  -9.597
   93    HA   ILE 835           HA       ILE 835   1.217 -10.909 -11.361
   94    HB   ILE 835           HB       ILE 835  -0.709  -8.606 -11.678
   95   HG12  ILE 835          HG12      ILE 835  -0.685 -11.353 -12.945
   96   HG13  ILE 835          HG11      ILE 835  -1.435 -11.021 -11.387
   97   HG21  ILE 835          HG21      ILE 835   0.944  -9.823 -13.903
   98   HG22  ILE 835          HG22      ILE 835   1.120  -8.187 -13.271
   99   HG23  ILE 835          HG23      ILE 835  -0.365  -8.657 -14.101
  100   HD11  ILE 835          HD11      ILE 835  -2.203  -9.835 -14.049
  101   HD12  ILE 835          HD12      ILE 835  -2.914  -9.380 -12.501
  102   HD13  ILE 835          HD13      ILE 835  -3.110 -11.022 -13.112
  103    H    LEU 836           HN       LEU 836   1.240  -7.541 -10.250
  104    HA   LEU 836           HA       LEU 836   3.385  -6.571 -11.756
  105    HB2  LEU 836           HB2      LEU 836   1.765  -5.674  -9.604
  106    HB3  LEU 836           HB1      LEU 836   3.436  -5.418  -9.136
  107    HG   LEU 836           HG       LEU 836   3.726  -4.226 -11.371
  108   HD11  LEU 836          HD11      LEU 836   1.751  -5.084 -12.476
  109   HD12  LEU 836          HD12      LEU 836   1.652  -3.328 -12.346
  110   HD13  LEU 836          HD13      LEU 836   0.717  -4.348 -11.252
  111   HD21  LEU 836          HD21      LEU 836   2.778  -2.141 -10.510
  112   HD22  LEU 836          HD22      LEU 836   3.599  -3.043  -9.236
  113   HD23  LEU 836          HD23      LEU 836   1.838  -3.053  -9.330
  114    H    ALA 837           HN       ALA 837   3.289  -8.210  -8.653
  115    HA   ALA 837           HA       ALA 837   6.085  -8.014  -8.132
  116    HB1  ALA 837           HB1      ALA 837   5.662  -9.346  -6.218
  117    HB2  ALA 837           HB2      ALA 837   4.187 -10.011  -6.919
  118    HB3  ALA 837           HB3      ALA 837   4.238  -8.322  -6.416
  119    H    GLY 838           HN       GLY 838   4.061 -10.171  -9.929
  120    HA2  GLY 838           HA2      GLY 838   4.830 -11.700 -11.531
  121    HA3  GLY 838           HA1      GLY 838   6.416 -11.664 -10.772
  122    H    ASP 839           HN       ASP 839   3.103 -12.484  -9.780
  123    HA   ASP 839           HA       ASP 839   2.222 -14.238  -8.629
  124    HB2  ASP 839           HB2      ASP 839   3.223 -15.387 -10.705
  125    HB3  ASP 839           HB1      ASP 839   4.518 -15.920  -9.637
  126    H    LYS 840           HN       LYS 840   4.207 -12.559  -7.281
  127    HA   LYS 840           HA       LYS 840   5.207 -14.494  -5.289
  128    HB2  LYS 840           HB2      LYS 840   6.344 -11.779  -5.983
  129    HB3  LYS 840           HB1      LYS 840   6.962 -12.861  -4.744
  130    HG2  LYS 840           HG2      LYS 840   7.818 -14.355  -6.288
  131    HG3  LYS 840           HG1      LYS 840   6.767 -13.774  -7.584
  132    HD2  LYS 840           HD2      LYS 840   8.040 -11.555  -7.336
  133    HD3  LYS 840           HD1      LYS 840   9.230 -12.498  -6.438
  134    HE2  LYS 840           HE2      LYS 840   9.489 -13.987  -8.369
  135    HE3  LYS 840           HE1      LYS 840   8.315 -13.020  -9.264
  136    HZ1  LYS 840           HZ1      LYS 840   9.790 -11.120  -9.072
  137    HZ2  LYS 840           HZ2      LYS 840  10.578 -12.408  -9.831
  138    HZ3  LYS 840           HZ3      LYS 840  10.916 -12.046  -8.214
  139    H    ASN 841           HN       ASN 841   4.903 -14.058  -3.123
  140    HA   ASN 841           HA       ASN 841   2.728 -12.270  -2.494
  141    HB2  ASN 841           HB2      ASN 841   3.578 -14.645  -1.428
  142    HB3  ASN 841           HB1      ASN 841   4.173 -13.484  -0.245
  143   HD21  ASN 841          HD21      ASN 841   2.739 -12.459   1.082
  144   HD22  ASN 841          HD22      ASN 841   1.043 -12.791   1.097
  145    H    TYR 842           HN       TYR 842   6.018 -12.009  -2.758
  146    HA   TYR 842           HA       TYR 842   6.052  -9.582  -1.099
  147    HB2  TYR 842           HB2      TYR 842   8.719 -10.488  -1.367
  148    HB3  TYR 842           HB1      TYR 842   7.755 -10.415   0.101
  149    HD1  TYR 842           HD1      TYR 842   9.280 -12.551  -2.369
  150    HD2  TYR 842           HD2      TYR 842   6.465 -12.452   0.815
  151    HE1  TYR 842           HE1      TYR 842   9.401 -15.002  -2.194
  152    HE2  TYR 842           HE2      TYR 842   6.579 -14.902   1.000
  153    HH   TYR 842           HH       TYR 842   8.988 -16.745  -0.517
  154    H    ILE 843           HN       ILE 843   6.815  -7.771  -2.057
  155    HA   ILE 843           HA       ILE 843   7.843  -8.055  -4.802
  156    HB   ILE 843           HB       ILE 843   5.584  -6.990  -4.633
  157   HG12  ILE 843          HG12      ILE 843   7.748  -5.120  -5.625
  158   HG13  ILE 843          HG11      ILE 843   7.195  -6.546  -6.497
  159   HG21  ILE 843          HG21      ILE 843   5.400  -4.719  -3.757
  160   HG22  ILE 843          HG22      ILE 843   7.090  -4.765  -3.259
  161   HG23  ILE 843          HG23      ILE 843   5.917  -5.837  -2.495
  162   HD11  ILE 843          HD11      ILE 843   5.432  -4.229  -5.739
  163   HD12  ILE 843          HD12      ILE 843   5.009  -5.604  -6.759
  164   HD13  ILE 843          HD13      ILE 843   6.207  -4.434  -7.310
  165    H    THR 844           HN       THR 844   9.419  -6.497  -5.499
  166    HA   THR 844           HA       THR 844  11.417  -5.994  -3.540
  167    HB   THR 844           HB       THR 844  11.831  -4.490  -5.971
  168    HG1  THR 844           HG1      THR 844  11.905  -6.877  -7.000
  169   HG21  THR 844          HG21      THR 844  13.795  -5.912  -6.141
  170   HG22  THR 844          HG22      THR 844  13.133  -7.004  -4.924
  171   HG23  THR 844          HG23      THR 844  13.591  -5.358  -4.478
  172    H    MET 845           HN       MET 845  12.029  -4.119  -2.588
  173    HA   MET 845           HA       MET 845  10.018  -2.195  -2.060
  174    HB2  MET 845           HB2      MET 845  11.571  -1.100  -0.649
  175    HB3  MET 845           HB1      MET 845  11.921  -2.816  -0.530
  176    HG2  MET 845           HG2      MET 845  13.829  -2.558  -2.003
  177    HG3  MET 845           HG1      MET 845  13.458  -0.845  -2.208
  178    HE1  MET 845           HE1      MET 845  14.097  -3.616   0.366
  179    HE2  MET 845           HE2      MET 845  15.272  -2.897   1.465
  180    HE3  MET 845           HE3      MET 845  15.730  -3.263  -0.199
  181    H    ASP 846           HN       ASP 846  12.820  -2.122  -4.208
  182    HA   ASP 846           HA       ASP 846  12.452   0.607  -4.989
  183    HB2  ASP 846           HB2      ASP 846  14.635  -0.669  -5.098
  184    HB3  ASP 846           HB1      ASP 846  13.976  -1.535  -6.481
  185    H    GLU 847           HN       GLU 847  11.433  -2.522  -6.244
  186    HA   GLU 847           HA       GLU 847  10.548  -1.710  -8.773
  187    HB2  GLU 847           HB2      GLU 847  10.528  -4.080  -7.324
  188    HB3  GLU 847           HB1      GLU 847   8.827  -3.720  -7.565
  189    HG2  GLU 847           HG2      GLU 847  10.825  -3.751  -9.808
  190    HG3  GLU 847           HG1      GLU 847   9.899  -5.168  -9.314
  191    H    LEU 848           HN       LEU 848   8.666  -2.022  -5.740
  192    HA   LEU 848           HA       LEU 848   6.285  -0.989  -6.859
  193    HB2  LEU 848           HB2      LEU 848   5.378  -1.055  -4.731
  194    HB3  LEU 848           HB1      LEU 848   6.577  -2.330  -4.697
  195    HG   LEU 848           HG       LEU 848   7.971  -0.130  -3.755
  196   HD11  LEU 848          HD11      LEU 848   5.711   1.007  -3.642
  197   HD12  LEU 848          HD12      LEU 848   6.652   0.975  -2.152
  198   HD13  LEU 848          HD13      LEU 848   5.306  -0.144  -2.370
  199   HD21  LEU 848          HD21      LEU 848   6.510  -2.293  -2.257
  200   HD22  LEU 848          HD22      LEU 848   7.764  -1.259  -1.574
  201   HD23  LEU 848          HD23      LEU 848   8.155  -2.369  -2.888
  202    H    ARG 849           HN       ARG 849   9.106   0.462  -5.483
  203    HA   ARG 849           HA       ARG 849   8.025   3.077  -5.113
  204    HB2  ARG 849           HB2      ARG 849  10.071   2.174  -3.970
  205    HB3  ARG 849           HB1      ARG 849  10.917   2.294  -5.506
  206    HG2  ARG 849           HG2      ARG 849  10.860   4.632  -5.484
  207    HG3  ARG 849           HG1      ARG 849   9.600   4.677  -4.247
  208    HD2  ARG 849           HD2      ARG 849  11.879   5.258  -3.416
  209    HD3  ARG 849           HD1      ARG 849  11.120   3.907  -2.575
  210    HE   ARG 849           HE       ARG 849  12.819   3.107  -4.755
  211   HH11  ARG 849          HH11      ARG 849  12.710   3.937  -1.374
  212   HH12  ARG 849          HH12      ARG 849  14.148   3.056  -0.979
  213   HH21  ARG 849          HH21      ARG 849  14.722   1.962  -4.248
  214   HH22  ARG 849          HH22      ARG 849  15.291   1.935  -2.612
  215    H    ARG 850           HN       ARG 850   9.300   1.296  -7.772
  216    HA   ARG 850           HA       ARG 850   9.679   3.622  -9.452
  217    HB2  ARG 850           HB2      ARG 850  10.421   0.829  -9.521
  218    HB3  ARG 850           HB1      ARG 850   9.646   1.283 -11.034
  219    HG2  ARG 850           HG2      ARG 850  12.037   1.545 -11.223
  220    HG3  ARG 850           HG1      ARG 850  11.261   3.127 -11.293
  221    HD2  ARG 850           HD2      ARG 850  12.274   2.053  -8.688
  222    HD3  ARG 850           HD1      ARG 850  13.390   2.795  -9.832
  223    HE   ARG 850           HE       ARG 850  11.257   4.548  -9.499
  224   HH11  ARG 850          HH11      ARG 850  13.923   4.562  -6.510
  225   HH12  ARG 850          HH12      ARG 850  13.828   3.191  -7.566
  226   HH21  ARG 850          HH21      ARG 850  11.379   6.343  -8.099
  227   HH22  ARG 850          HH22      ARG 850  12.536   6.345  -6.810
  228    H    GLU 851           HN       GLU 851   7.212   1.399  -8.619
  229    HA   GLU 851           HA       GLU 851   5.554   1.921 -10.941
  230    HB2  GLU 851           HB2      GLU 851   5.086   0.355  -8.397
  231    HB3  GLU 851           HB1      GLU 851   3.879   0.533  -9.664
  232    HG2  GLU 851           HG2      GLU 851   6.582  -0.757  -9.958
  233    HG3  GLU 851           HG1      GLU 851   5.027  -1.588  -9.870
  234    H    LEU 852           HN       LEU 852   4.916   2.149  -7.462
  235    HA   LEU 852           HA       LEU 852   2.935   4.200  -7.825
  236    HB2  LEU 852           HB2      LEU 852   4.176   3.177  -5.266
  237    HB3  LEU 852           HB1      LEU 852   2.691   4.096  -5.408
  238    HG   LEU 852           HG       LEU 852   3.040   1.348  -6.595
  239   HD11  LEU 852          HD11      LEU 852   3.335   1.259  -4.156
  240   HD12  LEU 852          HD12      LEU 852   1.823   0.502  -4.660
  241   HD13  LEU 852          HD13      LEU 852   1.808   2.115  -3.948
  242   HD21  LEU 852          HD21      LEU 852   0.607   1.380  -6.672
  243   HD22  LEU 852          HD22      LEU 852   1.270   2.746  -7.568
  244   HD23  LEU 852          HD23      LEU 852   0.592   2.992  -5.959
  245    HA   PRO 853           HA       PRO 853   5.411   7.841  -7.461
  246    HB2  PRO 853           HB2      PRO 853   3.764   9.236  -5.662
  247    HB3  PRO 853           HB1      PRO 853   3.651   9.288  -7.425
  248    HG2  PRO 853           HG2      PRO 853   2.037   7.741  -5.484
  249    HG3  PRO 853           HG1      PRO 853   1.572   8.419  -7.055
  250    HD2  PRO 853           HD2      PRO 853   2.004   5.787  -6.711
  251    HD3  PRO 853           HD1      PRO 853   2.392   6.619  -8.230
  252    HA   PRO 854           HA       PRO 854   8.242   7.285  -4.106
  253    HB2  PRO 854           HB2      PRO 854   7.942  10.271  -3.994
  254    HB3  PRO 854           HB1      PRO 854   9.415   9.291  -3.917
  255    HG2  PRO 854           HG2      PRO 854   8.720  10.477  -6.182
  256    HG3  PRO 854           HG1      PRO 854   9.418   8.845  -6.179
  257    HD2  PRO 854           HD2      PRO 854   6.645   9.692  -6.733
  258    HD3  PRO 854           HD1      PRO 854   7.512   8.237  -7.259
  259    H    ASP 855           HN       ASP 855   5.742   9.771  -3.510
  260    HA   ASP 855           HA       ASP 855   5.800   9.740  -0.720
  261    HB2  ASP 855           HB2      ASP 855   3.418  10.265  -2.511
  262    HB3  ASP 855           HB1      ASP 855   3.571  10.756  -0.826
  263    H    GLN 856           HN       GLN 856   3.759   7.875  -2.938
  264    HA   GLN 856           HA       GLN 856   2.359   6.523  -0.831
  265    HB2  GLN 856           HB2      GLN 856   2.264   6.602  -3.744
  266    HB3  GLN 856           HB1      GLN 856   1.998   4.990  -3.098
  267    HG2  GLN 856           HG2      GLN 856  -0.117   6.087  -3.369
  268    HG3  GLN 856           HG1      GLN 856   0.217   5.898  -1.649
  269   HE21  GLN 856          HE21      GLN 856  -0.039   8.135  -4.292
  270   HE22  GLN 856          HE22      GLN 856  -0.107   9.572  -3.335
  271    H    ALA 857           HN       ALA 857   5.008   5.734  -3.000
  272    HA   ALA 857           HA       ALA 857   5.357   3.043  -2.371
  273    HB1  ALA 857           HB1      ALA 857   7.621   3.262  -3.179
  274    HB2  ALA 857           HB2      ALA 857   7.538   5.016  -3.020
  275    HB3  ALA 857           HB3      ALA 857   6.528   4.189  -4.207
  276    H    GLU 858           HN       GLU 858   6.971   5.862  -0.863
  277    HA   GLU 858           HA       GLU 858   8.431   4.445   1.048
  278    HB2  GLU 858           HB2      GLU 858   7.284   7.236   1.135
  279    HB3  GLU 858           HB1      GLU 858   8.358   6.596   2.371
  280    HG2  GLU 858           HG2      GLU 858   8.998   7.012  -0.540
  281    HG3  GLU 858           HG1      GLU 858   9.627   7.927   0.829
  282    H    TYR 859           HN       TYR 859   5.125   5.703   1.161
  283    HA   TYR 859           HA       TYR 859   4.603   5.020   3.852
  284    HB2  TYR 859           HB2      TYR 859   3.176   6.581   2.636
  285    HB3  TYR 859           HB1      TYR 859   2.702   5.308   1.515
  286    HD1  TYR 859           HD1      TYR 859   2.676   6.085   5.162
  287    HD2  TYR 859           HD2      TYR 859   0.736   4.144   1.910
  288    HE1  TYR 859           HE1      TYR 859   0.808   5.485   6.643
  289    HE2  TYR 859           HE2      TYR 859  -1.140   3.544   3.381
  290    HH   TYR 859           HH       TYR 859  -1.560   4.898   6.469
  291    H    CYS 860           HN       CYS 860   4.059   3.291   0.805
  292    HA   CYS 860           HA       CYS 860   2.828   0.997   1.874
  293    HB2  CYS 860           HB2      CYS 860   4.453   1.417  -0.644
  294    HB3  CYS 860           HB1      CYS 860   3.674  -0.112  -0.255
  295    HG   CYS 860           HG       CYS 860   2.046   2.858  -0.743
  296    H    ILE 861           HN       ILE 861   6.227   1.742   1.186
  297    HA   ILE 861           HA       ILE 861   7.348  -0.728   1.826
  298    HB   ILE 861           HB       ILE 861   8.445   2.074   1.966
  299   HG12  ILE 861          HG12      ILE 861   9.142  -0.208   0.103
  300   HG13  ILE 861          HG11      ILE 861   7.910   0.995  -0.257
  301   HG21  ILE 861          HG21      ILE 861  10.113  -0.415   2.273
  302   HG22  ILE 861          HG22      ILE 861   9.561   0.556   3.636
  303   HG23  ILE 861          HG23      ILE 861  10.629   1.266   2.426
  304   HD11  ILE 861          HD11      ILE 861   9.867   1.663  -1.384
  305   HD12  ILE 861          HD12      ILE 861  10.866   1.409   0.046
  306   HD13  ILE 861          HD13      ILE 861   9.707   2.739   0.003
  307    H    ALA 862           HN       ALA 862   6.708   2.086   3.891
  308    HA   ALA 862           HA       ALA 862   7.782   0.906   6.245
  309    HB1  ALA 862           HB1      ALA 862   7.613   3.325   5.962
  310    HB2  ALA 862           HB2      ALA 862   6.772   2.787   7.417
  311    HB3  ALA 862           HB3      ALA 862   5.853   3.203   5.970
  312    H    ARG 863           HN       ARG 863   4.699   0.672   4.675
  313    HA   ARG 863           HA       ARG 863   3.405  -0.341   7.081
  314    HB2  ARG 863           HB2      ARG 863   2.444   0.498   4.379
  315    HB3  ARG 863           HB1      ARG 863   1.448  -0.577   5.355
  316    HG2  ARG 863           HG2      ARG 863   2.496   2.039   6.385
  317    HG3  ARG 863           HG1      ARG 863   0.957   1.888   5.534
  318    HD2  ARG 863           HD2      ARG 863   1.380  -0.018   7.738
  319    HD3  ARG 863           HD1      ARG 863   1.251   1.673   8.219
  320    HE   ARG 863           HE       ARG 863  -0.849   1.206   6.487
  321   HH11  ARG 863          HH11      ARG 863  -1.376  -0.437  10.105
  322   HH12  ARG 863          HH12      ARG 863   0.223  -0.058   9.560
  323   HH21  ARG 863          HH21      ARG 863  -2.958   0.713   7.214
  324   HH22  ARG 863          HH22      ARG 863  -3.178  -0.001   8.776
  325    H    MET 864           HN       MET 864   5.272  -1.612   4.635
  326    HA   MET 864           HA       MET 864   3.822  -4.114   4.386
  327    HB2  MET 864           HB2      MET 864   6.437  -3.116   3.271
  328    HB3  MET 864           HB1      MET 864   5.976  -4.806   3.141
  329    HG2  MET 864           HG2      MET 864   3.957  -4.158   1.921
  330    HG3  MET 864           HG1      MET 864   4.427  -2.466   2.048
  331    HE1  MET 864           HE1      MET 864   3.519  -3.434  -0.338
  332    HE2  MET 864           HE2      MET 864   4.635  -3.867  -1.632
  333    HE3  MET 864           HE3      MET 864   4.574  -2.207  -1.040
  334    H    ALA 865           HN       ALA 865   5.068  -6.196   4.830
  335    HA   ALA 865           HA       ALA 865   6.583  -5.889   7.345
  336    HB1  ALA 865           HB1      ALA 865   5.613  -8.282   7.751
  337    HB2  ALA 865           HB2      ALA 865   4.390  -7.769   6.590
  338    HB3  ALA 865           HB3      ALA 865   4.621  -6.862   8.084
  339    HA   PRO 866           HA       PRO 866   9.973  -7.989   5.492
  340    HB2  PRO 866           HB2      PRO 866  10.587  -9.819   7.488
  341    HB3  PRO 866           HB1      PRO 866  11.144  -8.141   7.427
  342    HG2  PRO 866           HG2      PRO 866   8.865  -9.312   8.949
  343    HG3  PRO 866           HG1      PRO 866  10.017  -8.050   9.435
  344    HD2  PRO 866           HD2      PRO 866   7.536  -7.422   8.682
  345    HD3  PRO 866           HD1      PRO 866   8.920  -6.399   8.237
  346    H    TYR 867           HN       TYR 867   9.218  -9.039   3.814
  347    HA   TYR 867           HA       TYR 867   7.904 -10.610   2.672
  348    HB2  TYR 867           HB2      TYR 867   9.641 -12.531   2.282
  349    HB3  TYR 867           HB1      TYR 867   9.907 -10.911   1.678
  350    HD1  TYR 867           HD1      TYR 867  10.956  -9.508   4.020
  351    HD2  TYR 867           HD2      TYR 867  11.747 -13.470   2.650
  352    HE1  TYR 867           HE1      TYR 867  13.150  -9.435   5.120
  353    HE2  TYR 867           HE2      TYR 867  13.937 -13.400   3.775
  354    HH   TYR 867           HH       TYR 867  15.573 -11.739   4.544
  355    H    THR 868           HN       THR 868   9.501 -12.766   5.130
  356    HA   THR 868           HA       THR 868   8.646 -14.501   6.312
  357    HB   THR 868           HB       THR 868   5.923 -13.349   5.658
  358    HG1  THR 868           HG1      THR 868   6.273 -11.907   7.188
  359   HG21  THR 868          HG21      THR 868   5.168 -14.489   7.659
  360   HG22  THR 868          HG22      THR 868   6.807 -15.038   8.008
  361   HG23  THR 868          HG23      THR 868   5.947 -15.666   6.603
  362    H    GLY 869           HN       GLY 869   9.299 -16.163   4.957
  363    HA2  GLY 869           HA2      GLY 869   7.266 -17.749   3.828
  364    HA3  GLY 869           HA1      GLY 869   8.080 -16.884   2.542
  365    HA   PRO 870           HA       PRO 870  10.388 -20.869   3.559
  366    HB2  PRO 870           HB2      PRO 870   9.947 -22.165   1.240
  367    HB3  PRO 870           HB1      PRO 870   8.800 -22.231   2.587
  368    HG2  PRO 870           HG2      PRO 870   8.703 -20.544   0.123
  369    HG3  PRO 870           HG1      PRO 870   7.401 -21.464   0.905
  370    HD2  PRO 870           HD2      PRO 870   7.702 -18.792   1.239
  371    HD3  PRO 870           HD1      PRO 870   7.033 -19.852   2.497
  372    H    ASP 871           HN       ASP 871  10.642 -18.258   1.700
  373    HA   ASP 871           HA       ASP 871  13.329 -18.900   0.823
  374    HB2  ASP 871           HB2      ASP 871  12.120 -19.458  -1.174
  375    HB3  ASP 871           HB1      ASP 871  11.183 -17.969  -1.085
  376    H    SER 872           HN       SER 872  14.400 -17.441   1.876
  377    HA   SER 872           HA       SER 872  13.362 -14.890   2.586
  378    HB2  SER 872           HB2      SER 872  15.002 -16.082   3.977
  379    HB3  SER 872           HB1      SER 872  16.206 -15.954   2.696
  380    HG   SER 872           HG       SER 872  16.483 -13.876   3.150
  381    H    VAL 873           HN       VAL 873  12.890 -13.598   0.966
  382    HA   VAL 873           HA       VAL 873  14.618 -13.261  -1.325
  383    HB   VAL 873           HB       VAL 873  12.800 -11.655  -2.049
  384   HG11  VAL 873          HG11      VAL 873  12.844 -13.996  -2.770
  385   HG12  VAL 873          HG12      VAL 873  11.189 -13.437  -2.530
  386   HG13  VAL 873          HG13      VAL 873  11.960 -14.458  -1.313
  387   HG21  VAL 873          HG21      VAL 873  12.025 -11.180   0.297
  388   HG22  VAL 873          HG22      VAL 873  11.304 -12.790   0.320
  389   HG23  VAL 873          HG23      VAL 873  10.733 -11.581  -0.844
  390    HA   PRO 874           HA       PRO 874  16.534  -9.708   0.604
  391    HB2  PRO 874           HB2      PRO 874  18.488  -9.353  -1.196
  392    HB3  PRO 874           HB1      PRO 874  18.501 -10.716  -0.068
  393    HG2  PRO 874           HG2      PRO 874  17.857 -10.677  -2.956
  394    HG3  PRO 874           HG1      PRO 874  18.596 -11.956  -1.979
  395    HD2  PRO 874           HD2      PRO 874  15.906 -11.821  -2.776
  396    HD3  PRO 874           HD1      PRO 874  16.596 -12.914  -1.562
  397    H    GLY 875           HN       GLY 875  15.974  -7.646   0.489
  398    HA2  GLY 875           HA2      GLY 875  15.548  -5.556  -0.399
  399    HA3  GLY 875           HA1      GLY 875  15.866  -6.206  -1.998
  400    H    ALA 876           HN       ALA 876  13.677  -8.183  -0.510
  401    HA   ALA 876           HA       ALA 876  11.396  -6.716  -1.656
  402    HB1  ALA 876           HB1      ALA 876  10.435  -8.884  -2.295
  403    HB2  ALA 876           HB2      ALA 876  11.878  -9.693  -1.687
  404    HB3  ALA 876           HB3      ALA 876  11.994  -8.609  -3.072
  405    H    LEU 877           HN       LEU 877   9.460  -6.812  -0.538
  406    HA   LEU 877           HA       LEU 877   9.507  -8.137   2.082
  407    HB2  LEU 877           HB2      LEU 877   9.635  -5.361   1.646
  408    HB3  LEU 877           HB1      LEU 877   7.996  -5.688   2.177
  409    HG   LEU 877           HG       LEU 877   8.960  -6.918   4.143
  410   HD11  LEU 877          HD11      LEU 877  11.523  -5.630   3.219
  411   HD12  LEU 877          HD12      LEU 877  11.179  -7.357   3.198
  412   HD13  LEU 877          HD13      LEU 877  11.283  -6.496   4.735
  413   HD21  LEU 877          HD21      LEU 877   9.652  -4.810   5.314
  414   HD22  LEU 877          HD22      LEU 877   8.116  -4.700   4.453
  415   HD23  LEU 877          HD23      LEU 877   9.572  -3.988   3.756
  416    H    ASP 878           HN       ASP 878   7.427  -8.618   2.967
  417    HA   ASP 878           HA       ASP 878   5.606  -9.656   1.087
  418    HB2  ASP 878           HB2      ASP 878   5.896 -10.543   3.375
  419    HB3  ASP 878           HB1      ASP 878   5.118  -9.098   4.017
  420    H    TYR 879           HN       TYR 879   4.337  -8.500  -0.210
  421    HA   TYR 879           HA       TYR 879   3.488  -5.850   0.479
  422    HB2  TYR 879           HB2      TYR 879   2.762  -5.649  -1.709
  423    HB3  TYR 879           HB1      TYR 879   4.061  -6.821  -1.855
  424    HD1  TYR 879           HD1      TYR 879   0.428  -6.318  -2.009
  425    HD2  TYR 879           HD2      TYR 879   3.587  -9.127  -2.458
  426    HE1  TYR 879           HE1      TYR 879  -1.111  -7.862  -3.141
  427    HE2  TYR 879           HE2      TYR 879   2.058 -10.679  -3.591
  428    HH   TYR 879           HH       TYR 879  -0.359 -11.131  -3.697
  429    H    MET 880           HN       MET 880   2.086  -9.016   0.634
  430    HA   MET 880           HA       MET 880  -0.637  -8.428   0.667
  431    HB2  MET 880           HB2      MET 880   0.087 -10.704   0.549
  432    HB3  MET 880           HB1      MET 880   0.961 -10.575   2.068
  433    HG2  MET 880           HG2      MET 880  -1.252 -10.223   3.198
  434    HG3  MET 880           HG1      MET 880  -2.020 -10.616   1.663
  435    HE1  MET 880           HE1      MET 880   1.241 -12.681   3.377
  436    HE2  MET 880           HE2      MET 880   0.129 -13.298   4.599
  437    HE3  MET 880           HE3      MET 880   0.317 -11.558   4.376
  438    H    SER 881           HN       SER 881   1.807  -8.057   3.114
  439    HA   SER 881           HA       SER 881   0.121  -7.697   5.358
  440    HB2  SER 881           HB2      SER 881   2.930  -6.763   4.778
  441    HB3  SER 881           HB1      SER 881   2.123  -6.462   6.317
  442    HG   SER 881           HG       SER 881   2.614  -9.002   5.147
  443    H    PHE 882           HN       PHE 882   1.186  -5.514   2.822
  444    HA   PHE 882           HA       PHE 882   0.410  -3.104   4.118
  445    HB2  PHE 882           HB2      PHE 882   1.940  -2.947   2.258
  446    HB3  PHE 882           HB1      PHE 882   0.792  -3.748   1.186
  447    HD1  PHE 882           HD1      PHE 882   1.164  -0.739   3.310
  448    HD2  PHE 882           HD2      PHE 882  -0.652  -2.465  -0.117
  449    HE1  PHE 882           HE1      PHE 882   0.212   1.452   2.727
  450    HE2  PHE 882           HE2      PHE 882  -1.606  -0.276  -0.719
  451    HZ   PHE 882           HZ       PHE 882  -1.176   1.689   0.706
  452    H    SER 883           HN       SER 883  -1.138  -5.106   1.631
  453    HA   SER 883           HA       SER 883  -3.516  -3.611   1.456
  454    HB2  SER 883           HB2      SER 883  -3.416  -6.565   0.919
  455    HB3  SER 883           HB1      SER 883  -4.276  -5.301   0.036
  456    HG   SER 883           HG       SER 883  -2.520  -4.863  -1.075
  457    H    THR 884           HN       THR 884  -2.571  -6.333   3.497
  458    HA   THR 884           HA       THR 884  -5.127  -6.855   4.596
  459    HB   THR 884           HB       THR 884  -2.372  -7.368   5.758
  460    HG1  THR 884           HG1      THR 884  -4.160  -9.060   4.312
  461   HG21  THR 884          HG21      THR 884  -3.455  -8.994   7.207
  462   HG22  THR 884          HG22      THR 884  -5.028  -8.574   6.531
  463   HG23  THR 884          HG23      THR 884  -4.132  -7.388   7.478
  464    H    ALA 885           HN       ALA 885  -2.435  -4.785   5.572
  465    HA   ALA 885           HA       ALA 885  -3.590  -3.904   8.013
  466    HB1  ALA 885           HB1      ALA 885  -1.467  -2.586   6.322
  467    HB2  ALA 885           HB2      ALA 885  -1.179  -3.809   7.560
  468    HB3  ALA 885           HB3      ALA 885  -1.822  -2.229   8.013
  469    H    LEU 886           HN       LEU 886  -3.869  -2.889   4.697
  470    HA   LEU 886           HA       LEU 886  -5.100  -0.347   5.288
  471    HB2  LEU 886           HB2      LEU 886  -3.747  -0.750   3.237
  472    HB3  LEU 886           HB1      LEU 886  -4.968  -1.881   2.685
  473    HG   LEU 886           HG       LEU 886  -6.436   0.401   3.154
  474   HD11  LEU 886          HD11      LEU 886  -3.815   1.205   1.901
  475   HD12  LEU 886          HD12      LEU 886  -4.384   1.696   3.495
  476   HD13  LEU 886          HD13      LEU 886  -5.251   2.216   2.051
  477   HD21  LEU 886          HD21      LEU 886  -6.420   0.601   0.663
  478   HD22  LEU 886          HD22      LEU 886  -6.773  -1.019   1.263
  479   HD23  LEU 886          HD23      LEU 886  -5.171  -0.643   0.626
  480    H    TYR 887           HN       TYR 887  -6.094  -3.608   4.741
  481    HA   TYR 887           HA       TYR 887  -8.771  -3.202   3.972
  482    HB2  TYR 887           HB2      TYR 887  -7.999  -5.365   3.595
  483    HB3  TYR 887           HB1      TYR 887  -7.236  -5.476   5.176
  484    HD1  TYR 887           HD1      TYR 887  -8.306  -6.619   6.898
  485    HD2  TYR 887           HD2      TYR 887 -10.585  -5.293   3.560
  486    HE1  TYR 887           HE1      TYR 887 -10.263  -7.831   7.760
  487    HE2  TYR 887           HE2      TYR 887 -12.547  -6.502   4.412
  488    HH   TYR 887           HH       TYR 887 -12.720  -7.740   7.555
  489    H    GLY 888           HN       GLY 888  -7.209  -3.363   7.119
  490    HA2  GLY 888           HA2      GLY 888  -9.714  -3.366   8.563
  491    HA3  GLY 888           HA1      GLY 888  -8.105  -3.268   9.260
  492    H    GLU 889           HN       GLU 889 -10.834  -1.517   8.087
  493    HA   GLU 889           HA       GLU 889  -9.565   1.071   8.365
  494    HB2  GLU 889           HB2      GLU 889 -11.494   0.291   6.726
  495    HB3  GLU 889           HB1      GLU 889 -12.520   0.748   8.081
  496    HG2  GLU 889           HG2      GLU 889 -11.451   2.990   8.062
  497    HG3  GLU 889           HG1      GLU 889 -10.574   2.515   6.609
  498    H    SER 890           HN       SER 890 -10.559   2.747   9.767
  499    HA   SER 890           HA       SER 890 -10.793   1.743  12.448
  500    HB2  SER 890           HB2      SER 890 -11.090   4.570  11.396
  501    HB3  SER 890           HB1      SER 890 -10.923   4.115  13.091
  502    HG   SER 890           HG       SER 890  -8.896   3.002  12.113
  503    H    ASP 891           HN       ASP 891 -12.936   3.310  10.123
  504    HA   ASP 891           HA       ASP 891 -15.230   2.446  11.744
  505    HB2  ASP 891           HB2      ASP 891 -14.931   4.881  11.975
  506    HB3  ASP 891           HB1      ASP 891 -14.985   5.059  10.227
  507    H    LEU 892           HN       LEU 892 -15.538   0.625  10.543
  508    HA   LEU 892           HA       LEU 892 -17.037   0.936   8.122
  509    HB2  LEU 892           HB2      LEU 892 -14.739   0.947   7.221
  510    HB3  LEU 892           HB1      LEU 892 -14.428  -0.591   8.008
  511    HG   LEU 892           HG       LEU 892 -16.243  -1.599   6.608
  512   HD11  LEU 892          HD11      LEU 892 -16.093   1.033   5.143
  513   HD12  LEU 892          HD12      LEU 892 -17.457   0.471   6.109
  514   HD13  LEU 892          HD13      LEU 892 -17.003  -0.390   4.638
  515   HD21  LEU 892          HD21      LEU 892 -13.864  -1.809   6.028
  516   HD22  LEU 892          HD22      LEU 892 -13.974  -0.324   5.083
  517   HD23  LEU 892          HD23      LEU 892 -14.892  -1.749   4.595
  518    H1   GLY1646           HT1      GLY1646  -2.557  -7.273 -18.321
  519    H2   GLY1646           HT2      GLY1646  -2.784  -5.717 -17.697
  520    H3   GLY1646           HT3      GLY1646  -2.491  -7.014 -16.650
  521    HA2  GLY1646           HA1      GLY1646  -0.284  -7.305 -17.603
  522    HA3  GLY1646           HA2      GLY1646  -0.588  -5.922 -18.641
  523    H    LYS1647           HN       LYS1647   1.212  -4.824 -17.777
  524    HA   LYS1647           HA       LYS1647   1.497  -4.296 -14.991
  525    HB2  LYS1647           HB2      LYS1647   2.899  -3.567 -17.472
  526    HB3  LYS1647           HB1      LYS1647   3.000  -2.364 -16.195
  527    HG2  LYS1647           HG2      LYS1647   3.627  -5.236 -15.631
  528    HG3  LYS1647           HG1      LYS1647   4.829  -4.175 -16.367
  529    HD2  LYS1647           HD2      LYS1647   4.548  -2.610 -14.463
  530    HD3  LYS1647           HD1      LYS1647   3.445  -3.765 -13.716
  531    HE2  LYS1647           HE2      LYS1647   5.151  -5.359 -13.409
  532    HE3  LYS1647           HE1      LYS1647   6.241  -4.517 -14.509
  533    HZ1  LYS1647           HZ1      LYS1647   6.903  -4.156 -12.232
  534    HZ2  LYS1647           HZ2      LYS1647   5.372  -3.556 -11.834
  535    HZ3  LYS1647           HZ3      LYS1647   6.365  -2.693 -12.898
  536    H    PHE1648           HN       PHE1648   0.918  -2.004 -17.646
  537    HA   PHE1648           HA       PHE1648   0.291   0.208 -16.112
  538    HB2  PHE1648           HB2      PHE1648  -0.515  -0.549 -18.909
  539    HB3  PHE1648           HB1      PHE1648  -0.899   1.017 -18.203
  540    HD1  PHE1648           HD1      PHE1648   1.081   2.362 -17.253
  541    HD2  PHE1648           HD2      PHE1648   1.501  -0.862 -19.997
  542    HE1  PHE1648           HE1      PHE1648   3.296   3.211 -17.903
  543    HE2  PHE1648           HE2      PHE1648   3.719  -0.023 -20.651
  544    HZ   PHE1648           HZ       PHE1648   4.620   2.017 -19.603
  545    H    TYR1649           HN       TYR1649  -1.879  -2.360 -17.178
  546    HA   TYR1649           HA       TYR1649  -4.277  -0.979 -16.471
  547    HB2  TYR1649           HB2      TYR1649  -4.202  -2.810 -18.144
  548    HB3  TYR1649           HB1      TYR1649  -3.841  -3.948 -16.851
  549    HD1  TYR1649           HD1      TYR1649  -5.597  -5.105 -15.877
  550    HD2  TYR1649           HD2      TYR1649  -6.392  -1.390 -17.788
  551    HE1  TYR1649           HE1      TYR1649  -8.005  -5.426 -15.483
  552    HE2  TYR1649           HE2      TYR1649  -8.801  -1.700 -17.401
  553    HH   TYR1649           HH       TYR1649 -10.378  -3.558 -17.003
  554    H    ALA1650           HN       ALA1650  -2.137  -3.201 -14.803
  555    HA   ALA1650           HA       ALA1650  -3.840  -3.767 -12.603
  556    HB1  ALA1650           HB1      ALA1650  -0.953  -4.101 -13.196
  557    HB2  ALA1650           HB2      ALA1650  -2.168  -5.317 -12.799
  558    HB3  ALA1650           HB3      ALA1650  -1.502  -4.278 -11.536
  559    H    THR1651           HN       THR1651  -1.256  -1.386 -13.115
  560    HA   THR1651           HA       THR1651  -1.350  -0.360 -10.455
  561    HB   THR1651           HB       THR1651  -0.181   1.674 -11.629
  562    HG1  THR1651           HG1      THR1651   0.542  -0.233 -13.551
  563   HG21  THR1651          HG21      THR1651   1.962   0.483 -11.536
  564   HG22  THR1651          HG22      THR1651   1.100  -1.056 -11.478
  565   HG23  THR1651          HG23      THR1651   0.945   0.095 -10.150
  566    H    PHE1652           HN       PHE1652  -3.003   0.342 -13.428
  567    HA   PHE1652           HA       PHE1652  -4.102   2.857 -12.759
  568    HB2  PHE1652           HB2      PHE1652  -4.161   2.200 -15.044
  569    HB3  PHE1652           HB1      PHE1652  -4.927   0.665 -14.659
  570    HD1  PHE1652           HD1      PHE1652  -5.512   4.327 -14.679
  571    HD2  PHE1652           HD2      PHE1652  -7.242   0.438 -14.746
  572    HE1  PHE1652           HE1      PHE1652  -7.712   5.318 -15.165
  573    HE2  PHE1652           HE2      PHE1652  -9.445   1.421 -15.230
  574    HZ   PHE1652           HZ       PHE1652  -9.681   3.865 -15.443
  575    H    LEU1653           HN       LEU1653  -5.123  -0.463 -12.217
  576    HA   LEU1653           HA       LEU1653  -7.683   0.149 -11.127
  577    HB2  LEU1653           HB2      LEU1653  -5.927  -2.271 -11.215
  578    HB3  LEU1653           HB1      LEU1653  -7.311  -2.262 -10.141
  579    HG   LEU1653           HG       LEU1653  -7.436  -1.838 -13.126
  580   HD11  LEU1653          HD11      LEU1653  -8.437  -4.074 -13.186
  581   HD12  LEU1653          HD12      LEU1653  -8.147  -4.251 -11.457
  582   HD13  LEU1653          HD13      LEU1653  -6.785  -4.123 -12.571
  583   HD21  LEU1653          HD21      LEU1653  -9.252  -0.695 -12.106
  584   HD22  LEU1653          HD22      LEU1653  -9.552  -2.028 -10.993
  585   HD23  LEU1653          HD23      LEU1653  -9.893  -2.223 -12.713
  586    H    ILE1654           HN       ILE1654  -4.453  -0.214  -9.789
  587    HA   ILE1654           HA       ILE1654  -5.177  -0.318  -7.050
  588    HB   ILE1654           HB       ILE1654  -2.631   0.792  -8.254
  589   HG12  ILE1654          HG12      ILE1654  -3.271  -2.012  -7.305
  590   HG13  ILE1654          HG11      ILE1654  -3.052  -1.517  -8.981
  591   HG21  ILE1654          HG21      ILE1654  -3.124  -0.307  -5.487
  592   HG22  ILE1654          HG22      ILE1654  -3.056   1.408  -5.888
  593   HG23  ILE1654          HG23      ILE1654  -1.625   0.398  -6.097
  594   HD11  ILE1654          HD11      ILE1654  -0.727  -0.952  -8.519
  595   HD12  ILE1654          HD12      ILE1654  -1.070  -2.633  -8.112
  596   HD13  ILE1654          HD13      ILE1654  -0.941  -1.425  -6.834
  597    H    GLN1655           HN       GLN1655  -4.289   2.326  -9.221
  598    HA   GLN1655           HA       GLN1655  -4.511   4.425  -7.334
  599    HB2  GLN1655           HB2      GLN1655  -4.708   4.431 -10.351
  600    HB3  GLN1655           HB1      GLN1655  -4.624   5.884  -9.366
  601    HG2  GLN1655           HG2      GLN1655  -2.420   5.335  -8.625
  602    HG3  GLN1655           HG1      GLN1655  -2.510   3.745  -9.383
  603   HE21  GLN1655          HE21      GLN1655  -2.189   7.167  -9.929
  604   HE22  GLN1655          HE22      GLN1655  -1.612   7.056 -11.554
  605    H    GLU1656           HN       GLU1656  -6.778   2.843  -9.483
  606    HA   GLU1656           HA       GLU1656  -8.905   4.701  -9.220
  607    HB2  GLU1656           HB2      GLU1656  -8.653   2.943 -11.023
  608    HB3  GLU1656           HB1      GLU1656  -9.144   1.752  -9.827
  609    HG2  GLU1656           HG2      GLU1656 -11.022   2.372 -11.221
  610    HG3  GLU1656           HG1      GLU1656 -11.293   2.900  -9.561
  611    H    TYR1657           HN       TYR1657  -7.876   1.892  -7.391
  612    HA   TYR1657           HA       TYR1657 -10.180   1.594  -5.779
  613    HB2  TYR1657           HB2      TYR1657  -8.555  -0.198  -5.956
  614    HB3  TYR1657           HB1      TYR1657  -7.292   0.830  -5.292
  615    HD1  TYR1657           HD1      TYR1657  -6.647   0.126  -3.199
  616    HD2  TYR1657           HD2      TYR1657 -10.776  -0.036  -4.219
  617    HE1  TYR1657           HE1      TYR1657  -7.166  -0.707  -0.948
  618    HE2  TYR1657           HE2      TYR1657 -11.305  -0.869  -1.965
  619    HH   TYR1657           HH       TYR1657 -10.151  -2.060  -0.128
  620    H    PHE1658           HN       PHE1658  -7.200   3.442  -5.415
  621    HA   PHE1658           HA       PHE1658  -7.663   4.389  -2.792
  622    HB2  PHE1658           HB2      PHE1658  -5.908   5.217  -5.068
  623    HB3  PHE1658           HB1      PHE1658  -6.092   6.310  -3.701
  624    HD1  PHE1658           HD1      PHE1658  -5.727   5.214  -1.354
  625    HD2  PHE1658           HD2      PHE1658  -4.231   3.638  -5.011
  626    HE1  PHE1658           HE1      PHE1658  -4.010   3.972  -0.108
  627    HE2  PHE1658           HE2      PHE1658  -2.510   2.388  -3.773
  628    HZ   PHE1658           HZ       PHE1658  -2.397   2.553  -1.317
  629    H    ARG1659           HN       ARG1659  -8.524   5.633  -5.973
  630    HA   ARG1659           HA       ARG1659  -9.531   8.136  -5.106
  631    HB2  ARG1659           HB2      ARG1659  -9.507   6.575  -7.600
  632    HB3  ARG1659           HB1      ARG1659 -10.884   7.654  -7.425
  633    HG2  ARG1659           HG2      ARG1659  -9.632   9.373  -8.036
  634    HG3  ARG1659           HG1      ARG1659  -8.535   9.077  -6.687
  635    HD2  ARG1659           HD2      ARG1659  -7.405   9.075  -8.895
  636    HD3  ARG1659           HD1      ARG1659  -7.225   7.557  -8.016
  637    HE   ARG1659           HE       ARG1659  -9.441   7.291  -9.668
  638   HH11  ARG1659          HH11      ARG1659  -5.917   6.968 -11.549
  639   HH12  ARG1659          HH12      ARG1659  -5.999   7.777 -10.019
  640   HH21  ARG1659          HH21      ARG1659  -7.806   6.092 -12.490
  641   HH22  ARG1659          HH22      ARG1659  -9.331   6.233 -11.679
  642    H    LYS1660           HN       LYS1660 -11.099   5.025  -5.784
  643    HA   LYS1660           HA       LYS1660 -13.716   6.035  -5.172
  644    HB2  LYS1660           HB2      LYS1660 -14.530   3.853  -5.631
  645    HB3  LYS1660           HB1      LYS1660 -13.263   4.177  -6.806
  646    HG2  LYS1660           HG2      LYS1660 -12.354   2.234  -6.235
  647    HG3  LYS1660           HG1      LYS1660 -11.963   2.945  -4.669
  648    HD2  LYS1660           HD2      LYS1660 -13.140   0.945  -4.204
  649    HD3  LYS1660           HD1      LYS1660 -14.285   2.257  -3.924
  650    HE2  LYS1660           HE2      LYS1660 -15.176   1.884  -6.218
  651    HE3  LYS1660           HE1      LYS1660 -14.111   0.488  -6.357
  652    HZ1  LYS1660           HZ1      LYS1660 -16.332   0.847  -4.428
  653    HZ2  LYS1660           HZ2      LYS1660 -15.235  -0.438  -4.382
  654    HZ3  LYS1660           HZ3      LYS1660 -16.263  -0.253  -5.713
  655    H    PHE1661           HN       PHE1661 -11.129   4.957  -3.272
  656    HA   PHE1661           HA       PHE1661 -12.704   3.869  -1.112
  657    HB2  PHE1661           HB2      PHE1661 -10.410   3.091  -1.430
  658    HB3  PHE1661           HB1      PHE1661  -9.803   4.730  -1.228
  659    HD1  PHE1661           HD1      PHE1661 -11.390   1.890   0.503
  660    HD2  PHE1661           HD2      PHE1661  -9.448   5.655   0.930
  661    HE1  PHE1661           HE1      PHE1661 -11.152   1.490   2.918
  662    HE2  PHE1661           HE2      PHE1661  -9.207   5.262   3.348
  663    HZ   PHE1661           HZ       PHE1661 -10.059   3.175   4.345
  664    H    LYS1662           HN       LYS1662 -10.963   6.875  -1.792
  665    HA   LYS1662           HA       LYS1662 -11.587   8.146   0.646
  666    HB2  LYS1662           HB2      LYS1662 -10.782   9.245  -2.050
  667    HB3  LYS1662           HB1      LYS1662 -10.977  10.247  -0.618
  668    HG2  LYS1662           HG2      LYS1662  -9.249   8.939   0.526
  669    HG3  LYS1662           HG1      LYS1662  -9.040   7.961  -0.925
  670    HD2  LYS1662           HD2      LYS1662  -8.243   9.857  -2.163
  671    HD3  LYS1662           HD1      LYS1662  -8.633  10.948  -0.829
  672    HE2  LYS1662           HE2      LYS1662  -6.626   8.698  -0.693
  673    HE3  LYS1662           HE1      LYS1662  -6.220  10.391  -0.963
  674    HZ1  LYS1662           HZ1      LYS1662  -7.498   9.246   1.462
  675    HZ2  LYS1662           HZ2      LYS1662  -7.247  10.897   1.203
  676    HZ3  LYS1662           HZ3      LYS1662  -5.924   9.854   1.342
  677    H    LYS1663           HN       LYS1663 -13.139   8.220  -2.555
  678    HA   LYS1663           HA       LYS1663 -15.159  10.082  -1.860
  679    HB2  LYS1663           HB2      LYS1663 -15.041   8.000  -4.041
  680    HB3  LYS1663           HB1      LYS1663 -16.322   9.193  -3.896
  681    HG2  LYS1663           HG2      LYS1663 -14.759  10.989  -4.218
  682    HG3  LYS1663           HG1      LYS1663 -13.405   9.855  -4.223
  683    HD2  LYS1663           HD2      LYS1663 -14.364   8.774  -6.225
  684    HD3  LYS1663           HD1      LYS1663 -15.656   9.976  -6.228
  685    HE2  LYS1663           HE2      LYS1663 -13.919  10.580  -7.821
  686    HE3  LYS1663           HE1      LYS1663 -14.001  11.754  -6.509
  687    HZ1  LYS1663           HZ1      LYS1663 -11.718  11.147  -7.091
  688    HZ2  LYS1663           HZ2      LYS1663 -12.034   9.537  -6.682
  689    HZ3  LYS1663           HZ3      LYS1663 -12.086  10.736  -5.491
  690    H    ARG1664           HN       ARG1664 -14.879   6.623  -1.487
  691    HA   ARG1664           HA       ARG1664 -17.639   6.109  -0.971
  692    HB2  ARG1664           HB2      ARG1664 -15.812   4.429  -1.657
  693    HB3  ARG1664           HB1      ARG1664 -15.336   4.440   0.034
  694    HG2  ARG1664           HG2      ARG1664 -18.196   3.955  -0.490
  695    HG3  ARG1664           HG1      ARG1664 -17.085   2.691  -1.015
  696    HD2  ARG1664           HD2      ARG1664 -17.134   3.872   1.763
  697    HD3  ARG1664           HD1      ARG1664 -17.959   2.383   1.304
  698    HE   ARG1664           HE       ARG1664 -15.549   1.709   0.594
  699   HH11  ARG1664          HH11      ARG1664 -15.065   3.054   4.342
  700   HH12  ARG1664          HH12      ARG1664 -16.429   3.582   3.412
  701   HH21  ARG1664          HH21      ARG1664 -13.743   1.036   1.826
  702   HH22  ARG1664          HH22      ARG1664 -13.551   1.617   3.448
  703    H    LYS1665           HN       LYS1665 -14.951   7.225   0.898
  704    HA   LYS1665           HA       LYS1665 -16.069   6.690   3.475
  705    HB2  LYS1665           HB2      LYS1665 -13.621   6.962   3.036
  706    HB3  LYS1665           HB1      LYS1665 -13.906   8.668   2.722
  707    HG2  LYS1665           HG2      LYS1665 -13.052   8.320   4.970
  708    HG3  LYS1665           HG1      LYS1665 -14.694   8.966   5.011
  709    HD2  LYS1665           HD2      LYS1665 -15.568   6.713   5.399
  710    HD3  LYS1665           HD1      LYS1665 -13.925   6.069   5.361
  711    HE2  LYS1665           HE2      LYS1665 -13.334   7.347   7.315
  712    HE3  LYS1665           HE1      LYS1665 -14.906   8.145   7.311
  713    HZ1  LYS1665           HZ1      LYS1665 -14.464   5.239   7.714
  714    HZ2  LYS1665           HZ2      LYS1665 -15.957   6.035   7.765
  715    HZ3  LYS1665           HZ3      LYS1665 -14.786   6.361   8.939
  716    H    GLU1666           HN       GLU1666 -16.280   9.269   1.148
  717    HA   GLU1666           HA       GLU1666 -17.325  11.231   2.947
  718    HB2  GLU1666           HB2      GLU1666 -17.588  11.137  -0.063
  719    HB3  GLU1666           HB1      GLU1666 -17.756  12.550   0.969
  720    HG2  GLU1666           HG2      GLU1666 -15.375  12.318   1.601
  721    HG3  GLU1666           HG1      GLU1666 -15.238  10.985   0.458
  722    H    GLN1667           HN       GLN1667 -18.598   8.566   1.200
  723    HA   GLN1667           HA       GLN1667 -21.339   9.501   1.373
  724    HB2  GLN1667           HB2      GLN1667 -20.068   7.016   0.238
  725    HB3  GLN1667           HB1      GLN1667 -21.813   7.196   0.375
  726    HG2  GLN1667           HG2      GLN1667 -19.945   8.939  -1.215
  727    HG3  GLN1667           HG1      GLN1667 -21.097   7.762  -1.850
  728   HE21  GLN1667          HE21      GLN1667 -23.354   8.182  -1.554
  729   HE22  GLN1667          HE22      GLN1667 -23.920   9.807  -1.399
  730    H    GLY1668           HN       GLY1668 -19.383   6.825   2.668
  731    HA2  GLY1668           HA2      GLY1668 -19.678   6.505   5.130
  732    HA3  GLY1668           HA1      GLY1668 -21.407   6.539   4.801
  Start of MODEL    4
    1    H1   ASP 822           HT1      ASP 822 -14.640  -9.273  -5.353
    2    H2   ASP 822           HT2      ASP 822 -14.852  -7.604  -5.092
    3    H3   ASP 822           HT3      ASP 822 -14.085  -8.159  -6.505
    4    HA   ASP 822           HA       ASP 822 -16.047  -9.124  -7.340
    5    HB2  ASP 822           HB2      ASP 822 -16.899  -9.876  -5.129
    6    HB3  ASP 822           HB1      ASP 822 -17.397  -8.225  -4.782
    7    H    THR 823           HN       THR 823 -17.513  -6.566  -5.426
    8    HA   THR 823           HA       THR 823 -17.730  -4.929  -7.839
    9    HB   THR 823           HB       THR 823 -18.880  -3.824  -5.382
   10    HG1  THR 823           HG1      THR 823 -19.455  -6.493  -6.143
   11   HG21  THR 823          HG21      THR 823 -20.198  -4.656  -7.969
   12   HG22  THR 823          HG22      THR 823 -19.362  -3.116  -7.738
   13   HG23  THR 823          HG23      THR 823 -20.795  -3.491  -6.785
   14    H    ASP 824           HN       ASP 824 -15.681  -5.298  -5.289
   15    HA   ASP 824           HA       ASP 824 -15.003  -2.520  -4.894
   16    HB2  ASP 824           HB2      ASP 824 -13.350  -3.361  -3.348
   17    HB3  ASP 824           HB1      ASP 824 -14.873  -4.201  -3.075
   18    H    THR 825           HN       THR 825 -12.262  -2.579  -4.728
   19    HA   THR 825           HA       THR 825 -11.344  -3.376  -7.394
   20    HB   THR 825           HB       THR 825 -10.479  -0.725  -6.298
   21    HG1  THR 825           HG1      THR 825 -12.243   0.301  -7.162
   22   HG21  THR 825          HG21      THR 825 -10.658  -2.007  -9.016
   23   HG22  THR 825          HG22      THR 825  -9.248  -1.322  -8.202
   24   HG23  THR 825          HG23      THR 825 -10.498  -0.258  -8.845
   25    H    ALA 826           HN       ALA 826 -11.037  -3.887  -4.295
   26    HA   ALA 826           HA       ALA 826  -8.180  -3.508  -3.895
   27    HB1  ALA 826           HB1      ALA 826 -10.386  -4.589  -2.200
   28    HB2  ALA 826           HB2      ALA 826  -9.316  -3.221  -1.907
   29    HB3  ALA 826           HB3      ALA 826  -8.699  -4.867  -1.774
   30    H    ASP 827           HN       ASP 827 -10.476  -6.199  -4.216
   31    HA   ASP 827           HA       ASP 827  -8.645  -8.303  -4.190
   32    HB2  ASP 827           HB2      ASP 827 -10.876  -9.006  -4.214
   33    HB3  ASP 827           HB1      ASP 827 -11.320  -7.916  -5.516
   34    H    GLN 828           HN       GLN 828  -9.713  -6.229  -6.813
   35    HA   GLN 828           HA       GLN 828  -8.283  -7.452  -8.886
   36    HB2  GLN 828           HB2      GLN 828  -9.412  -4.687  -8.522
   37    HB3  GLN 828           HB1      GLN 828  -8.523  -5.135  -9.978
   38    HG2  GLN 828           HG2      GLN 828 -11.054  -6.377  -8.936
   39    HG3  GLN 828           HG1      GLN 828 -10.872  -5.392 -10.379
   40   HE21  GLN 828          HE21      GLN 828 -10.465  -8.499  -8.942
   41   HE22  GLN 828          HE22      GLN 828 -10.091  -9.355 -10.402
   42    H    VAL 829           HN       VAL 829  -7.431  -4.755  -6.735
   43    HA   VAL 829           HA       VAL 829  -4.914  -4.166  -7.868
   44    HB   VAL 829           HB       VAL 829  -6.042  -3.762  -5.098
   45   HG11  VAL 829          HG11      VAL 829  -4.053  -2.408  -4.569
   46   HG12  VAL 829          HG12      VAL 829  -3.295  -2.968  -6.060
   47   HG13  VAL 829          HG13      VAL 829  -3.672  -4.115  -4.780
   48   HG21  VAL 829          HG21      VAL 829  -5.751  -1.352  -5.785
   49   HG22  VAL 829          HG22      VAL 829  -6.970  -2.268  -6.676
   50   HG23  VAL 829          HG23      VAL 829  -5.401  -1.947  -7.410
   51    H    MET 830           HN       MET 830  -5.947  -6.435  -5.376
   52    HA   MET 830           HA       MET 830  -3.392  -7.296  -4.579
   53    HB2  MET 830           HB2      MET 830  -6.152  -8.419  -4.413
   54    HB3  MET 830           HB1      MET 830  -4.795  -9.467  -4.035
   55    HG2  MET 830           HG2      MET 830  -5.075  -6.777  -2.759
   56    HG3  MET 830           HG1      MET 830  -5.930  -8.178  -2.130
   57    HE1  MET 830           HE1      MET 830  -4.217 -10.601  -2.138
   58    HE2  MET 830           HE2      MET 830  -4.954  -9.942  -0.675
   59    HE3  MET 830           HE3      MET 830  -3.253 -10.413  -0.672
   60    H    ALA 831           HN       ALA 831  -5.594  -8.611  -7.025
   61    HA   ALA 831           HA       ALA 831  -3.909 -10.743  -7.819
   62    HB1  ALA 831           HB1      ALA 831  -6.334 -10.609  -8.344
   63    HB2  ALA 831           HB2      ALA 831  -5.341 -10.942  -9.760
   64    HB3  ALA 831           HB3      ALA 831  -5.983  -9.321  -9.495
   65    H    SER 832           HN       SER 832  -4.297  -7.438  -8.956
   66    HA   SER 832           HA       SER 832  -2.486  -7.613 -11.107
   67    HB2  SER 832           HB2      SER 832  -3.215  -5.163  -9.476
   68    HB3  SER 832           HB1      SER 832  -2.520  -5.177 -11.101
   69    HG   SER 832           HG       SER 832  -5.111  -5.892 -10.260
   70    H    PHE 833           HN       PHE 833  -2.046  -6.685  -7.711
   71    HA   PHE 833           HA       PHE 833   0.662  -5.993  -7.896
   72    HB2  PHE 833           HB2      PHE 833  -1.279  -6.436  -5.818
   73    HB3  PHE 833           HB1      PHE 833   0.203  -7.282  -5.396
   74    HD1  PHE 833           HD1      PHE 833   2.279  -5.486  -6.433
   75    HD2  PHE 833           HD2      PHE 833  -1.360  -4.589  -4.429
   76    HE1  PHE 833           HE1      PHE 833   3.247  -3.371  -5.618
   77    HE2  PHE 833           HE2      PHE 833  -0.388  -2.480  -3.601
   78    HZ   PHE 833           HZ       PHE 833   1.917  -1.866  -4.198
   79    H    LYS 834           HN       LYS 834  -0.849  -9.036  -6.851
   80    HA   LYS 834           HA       LYS 834   1.258 -10.690  -6.695
   81    HB2  LYS 834           HB2      LYS 834  -1.510 -11.028  -6.942
   82    HB3  LYS 834           HB1      LYS 834  -0.814 -12.035  -8.199
   83    HG2  LYS 834           HG2      LYS 834   0.772 -12.846  -6.298
   84    HG3  LYS 834           HG1      LYS 834  -0.500 -12.225  -5.244
   85    HD2  LYS 834           HD2      LYS 834  -2.134 -13.651  -6.456
   86    HD3  LYS 834           HD1      LYS 834  -0.790 -14.342  -7.378
   87    HE2  LYS 834           HE2      LYS 834   0.138 -14.676  -4.879
   88    HE3  LYS 834           HE1      LYS 834  -1.604 -14.766  -4.576
   89    HZ1  LYS 834           HZ1      LYS 834  -0.238 -16.364  -6.673
   90    HZ2  LYS 834           HZ2      LYS 834  -1.813 -16.556  -6.067
   91    HZ3  LYS 834           HZ3      LYS 834  -0.479 -16.923  -5.086
   92    H    ILE 835           HN       ILE 835  -0.484  -9.944  -9.748
   93    HA   ILE 835           HA       ILE 835   1.204 -11.428 -11.413
   94    HB   ILE 835           HB       ILE 835  -0.527  -8.995 -11.967
   95   HG12  ILE 835          HG12      ILE 835  -1.057 -11.808 -12.858
   96   HG13  ILE 835          HG11      ILE 835  -1.497 -11.286 -11.237
   97   HG21  ILE 835          HG21      ILE 835   0.636 -10.857 -14.043
   98   HG22  ILE 835          HG22      ILE 835   1.344  -9.291 -13.637
   99   HG23  ILE 835          HG23      ILE 835  -0.283  -9.377 -14.314
  100   HD11  ILE 835          HD11      ILE 835  -2.449 -10.036 -13.805
  101   HD12  ILE 835          HD12      ILE 835  -2.907  -9.538 -12.170
  102   HD13  ILE 835          HD13      ILE 835  -3.378 -11.127 -12.773
  103    H    LEU 836           HN       LEU 836   1.220  -8.017 -10.464
  104    HA   LEU 836           HA       LEU 836   3.212  -6.965 -12.041
  105    HB2  LEU 836           HB2      LEU 836   1.717  -5.859 -10.249
  106    HB3  LEU 836           HB1      LEU 836   2.990  -6.268  -9.134
  107    HG   LEU 836           HG       LEU 836   4.530  -5.007 -10.823
  108   HD11  LEU 836          HD11      LEU 836   3.424  -3.203 -11.984
  109   HD12  LEU 836          HD12      LEU 836   1.850  -3.802 -11.458
  110   HD13  LEU 836          HD13      LEU 836   2.841  -4.767 -12.551
  111   HD21  LEU 836          HD21      LEU 836   3.473  -2.795  -9.666
  112   HD22  LEU 836          HD22      LEU 836   4.554  -3.922  -8.853
  113   HD23  LEU 836          HD23      LEU 836   2.815  -4.059  -8.630
  114    H    ALA 837           HN       ALA 837   3.634  -8.555  -8.898
  115    HA   ALA 837           HA       ALA 837   6.503  -8.323  -9.072
  116    HB1  ALA 837           HB1      ALA 837   6.506  -9.631  -6.983
  117    HB2  ALA 837           HB2      ALA 837   4.769  -9.826  -7.120
  118    HB3  ALA 837           HB3      ALA 837   5.461  -8.222  -6.890
  119    H    GLY 838           HN       GLY 838   4.061 -10.791  -9.626
  120    HA2  GLY 838           HA2      GLY 838   4.499 -12.440 -11.351
  121    HA3  GLY 838           HA1      GLY 838   6.175 -12.487 -10.804
  122    H    ASP 839           HN       ASP 839   2.915 -12.918  -9.468
  123    HA   ASP 839           HA       ASP 839   2.041 -14.320  -7.934
  124    HB2  ASP 839           HB2      ASP 839   2.759 -15.886  -9.903
  125    HB3  ASP 839           HB1      ASP 839   3.967 -16.449  -8.757
  126    H    LYS 840           HN       LYS 840   4.010 -12.650  -6.960
  127    HA   LYS 840           HA       LYS 840   5.407 -14.332  -4.987
  128    HB2  LYS 840           HB2      LYS 840   6.148 -11.580  -5.999
  129    HB3  LYS 840           HB1      LYS 840   7.015 -12.466  -4.755
  130    HG2  LYS 840           HG2      LYS 840   7.737 -14.107  -6.305
  131    HG3  LYS 840           HG1      LYS 840   6.634 -13.502  -7.545
  132    HD2  LYS 840           HD2      LYS 840   7.879 -11.372  -7.567
  133    HD3  LYS 840           HD1      LYS 840   9.021 -12.057  -6.408
  134    HE2  LYS 840           HE2      LYS 840   9.923 -13.518  -7.955
  135    HE3  LYS 840           HE1      LYS 840   8.464 -13.538  -8.938
  136    HZ1  LYS 840           HZ1      LYS 840   8.980 -11.412  -9.815
  137    HZ2  LYS 840           HZ2      LYS 840  10.382 -12.347  -9.942
  138    HZ3  LYS 840           HZ3      LYS 840  10.251 -11.182  -8.723
  139    H    ASN 841           HN       ASN 841   5.008 -13.992  -2.915
  140    HA   ASN 841           HA       ASN 841   2.864 -12.237  -2.150
  141    HB2  ASN 841           HB2      ASN 841   2.987 -14.407  -1.107
  142    HB3  ASN 841           HB1      ASN 841   4.645 -14.123  -0.592
  143   HD21  ASN 841          HD21      ASN 841   5.016 -13.093   1.298
  144   HD22  ASN 841          HD22      ASN 841   3.780 -12.450   2.339
  145    H    TYR 842           HN       TYR 842   6.227 -12.181  -2.272
  146    HA   TYR 842           HA       TYR 842   6.313  -9.686  -0.722
  147    HB2  TYR 842           HB2      TYR 842   8.956 -10.573  -0.998
  148    HB3  TYR 842           HB1      TYR 842   7.977 -10.596   0.466
  149    HD1  TYR 842           HD1      TYR 842   9.349 -12.575  -2.266
  150    HD2  TYR 842           HD2      TYR 842   6.947 -12.677   1.229
  151    HE1  TYR 842           HE1      TYR 842   9.528 -15.028  -2.225
  152    HE2  TYR 842           HE2      TYR 842   7.117 -15.129   1.277
  153    HH   TYR 842           HH       TYR 842   9.325 -16.871  -0.693
  154    H    ILE 843           HN       ILE 843   6.663  -7.912  -1.876
  155    HA   ILE 843           HA       ILE 843   7.718  -8.185  -4.603
  156    HB   ILE 843           HB       ILE 843   5.474  -7.160  -4.416
  157   HG12  ILE 843          HG12      ILE 843   7.497  -5.062  -5.240
  158   HG13  ILE 843          HG11      ILE 843   7.156  -6.512  -6.197
  159   HG21  ILE 843          HG21      ILE 843   5.498  -4.741  -3.489
  160   HG22  ILE 843          HG22      ILE 843   6.932  -5.265  -2.617
  161   HG23  ILE 843          HG23      ILE 843   5.396  -6.088  -2.362
  162   HD11  ILE 843          HD11      ILE 843   5.068  -4.476  -5.441
  163   HD12  ILE 843          HD12      ILE 843   4.901  -5.819  -6.550
  164   HD13  ILE 843          HD13      ILE 843   5.952  -4.474  -6.960
  165    H    THR 844           HN       THR 844   9.296  -6.738  -5.371
  166    HA   THR 844           HA       THR 844  11.342  -6.089  -3.509
  167    HB   THR 844           HB       THR 844  11.780  -4.715  -5.952
  168    HG1  THR 844           HG1      THR 844  10.748  -7.364  -6.287
  169   HG21  THR 844          HG21      THR 844  13.569  -6.256  -6.216
  170   HG22  THR 844          HG22      THR 844  12.794  -7.436  -5.154
  171   HG23  THR 844          HG23      THR 844  13.415  -5.924  -4.491
  172    H    MET 845           HN       MET 845  11.927  -4.127  -2.660
  173    HA   MET 845           HA       MET 845   9.880  -2.245  -2.226
  174    HB2  MET 845           HB2      MET 845  11.479  -0.951  -0.981
  175    HB3  MET 845           HB1      MET 845  11.703  -2.646  -0.607
  176    HG2  MET 845           HG2      MET 845  13.758  -2.737  -1.616
  177    HG3  MET 845           HG1      MET 845  13.372  -1.428  -2.731
  178    HE1  MET 845           HE1      MET 845  14.643  -2.445   0.759
  179    HE2  MET 845           HE2      MET 845  13.152  -1.644   1.262
  180    HE3  MET 845           HE3      MET 845  14.713  -0.917   1.643
  181    H    ASP 846           HN       ASP 846  12.776  -2.087  -4.305
  182    HA   ASP 846           HA       ASP 846  12.295   0.578  -5.160
  183    HB2  ASP 846           HB2      ASP 846  14.445  -0.960  -5.326
  184    HB3  ASP 846           HB1      ASP 846  13.787  -1.289  -6.932
  185    H    GLU 847           HN       GLU 847  11.225  -2.542  -6.398
  186    HA   GLU 847           HA       GLU 847  10.356  -1.656  -8.932
  187    HB2  GLU 847           HB2      GLU 847   9.972  -4.041  -7.256
  188    HB3  GLU 847           HB1      GLU 847   8.616  -3.690  -8.319
  189    HG2  GLU 847           HG2      GLU 847  11.480  -3.977  -9.203
  190    HG3  GLU 847           HG1      GLU 847  10.247  -5.227  -9.329
  191    H    LEU 848           HN       LEU 848   8.589  -2.050  -5.868
  192    HA   LEU 848           HA       LEU 848   6.146  -1.050  -6.900
  193    HB2  LEU 848           HB2      LEU 848   5.297  -1.200  -4.734
  194    HB3  LEU 848           HB1      LEU 848   6.547  -2.425  -4.752
  195    HG   LEU 848           HG       LEU 848   7.894  -0.205  -3.815
  196   HD11  LEU 848          HD11      LEU 848   5.444   0.723  -3.658
  197   HD12  LEU 848          HD12      LEU 848   6.595   1.001  -2.353
  198   HD13  LEU 848          HD13      LEU 848   5.389  -0.270  -2.205
  199   HD21  LEU 848          HD21      LEU 848   6.500  -2.389  -2.264
  200   HD22  LEU 848          HD22      LEU 848   7.808  -1.371  -1.653
  201   HD23  LEU 848          HD23      LEU 848   8.107  -2.486  -2.989
  202    H    ARG 849           HN       ARG 849   8.998   0.470  -5.619
  203    HA   ARG 849           HA       ARG 849   7.818   3.040  -5.214
  204    HB2  ARG 849           HB2      ARG 849   9.856   2.302  -4.028
  205    HB3  ARG 849           HB1      ARG 849  10.717   2.274  -5.562
  206    HG2  ARG 849           HG2      ARG 849  10.680   4.603  -5.775
  207    HG3  ARG 849           HG1      ARG 849   9.426   4.786  -4.544
  208    HD2  ARG 849           HD2      ARG 849  11.775   5.430  -3.853
  209    HD3  ARG 849           HD1      ARG 849  10.952   4.281  -2.796
  210    HE   ARG 849           HE       ARG 849  12.764   3.284  -4.878
  211   HH11  ARG 849          HH11      ARG 849  12.001   3.773  -1.496
  212   HH12  ARG 849          HH12      ARG 849  13.208   2.658  -0.930
  213   HH21  ARG 849          HH21      ARG 849  14.402   1.833  -4.135
  214   HH22  ARG 849          HH22      ARG 849  14.571   1.562  -2.424
  215    H    ARG 850           HN       ARG 850   9.170   1.328  -7.893
  216    HA   ARG 850           HA       ARG 850   9.559   3.632  -9.558
  217    HB2  ARG 850           HB2      ARG 850  10.055   0.787  -9.717
  218    HB3  ARG 850           HB1      ARG 850   9.242   1.344 -11.182
  219    HG2  ARG 850           HG2      ARG 850  11.607   1.433 -11.533
  220    HG3  ARG 850           HG1      ARG 850  10.989   3.083 -11.427
  221    HD2  ARG 850           HD2      ARG 850  11.994   1.773  -8.951
  222    HD3  ARG 850           HD1      ARG 850  13.161   2.348 -10.133
  223    HE   ARG 850           HE       ARG 850  11.340   4.411  -9.662
  224   HH11  ARG 850          HH11      ARG 850  14.207   3.965  -6.890
  225   HH12  ARG 850          HH12      ARG 850  13.807   2.621  -7.927
  226   HH21  ARG 850          HH21      ARG 850  11.857   6.149  -8.245
  227   HH22  ARG 850          HH22      ARG 850  13.088   5.924  -7.042
  228    H    GLU 851           HN       GLU 851   7.023   1.426  -8.795
  229    HA   GLU 851           HA       GLU 851   5.327   2.105 -11.006
  230    HB2  GLU 851           HB2      GLU 851   4.838   0.452  -8.520
  231    HB3  GLU 851           HB1      GLU 851   3.685   0.636  -9.842
  232    HG2  GLU 851           HG2      GLU 851   6.409  -0.626  -9.975
  233    HG3  GLU 851           HG1      GLU 851   4.853  -1.440 -10.086
  234    H    LEU 852           HN       LEU 852   4.747   2.252  -7.496
  235    HA   LEU 852           HA       LEU 852   2.759   4.313  -7.821
  236    HB2  LEU 852           HB2      LEU 852   4.022   3.133  -5.337
  237    HB3  LEU 852           HB1      LEU 852   2.645   4.225  -5.349
  238    HG   LEU 852           HG       LEU 852   2.492   1.639  -6.865
  239   HD11  LEU 852          HD11      LEU 852   3.297   1.123  -4.579
  240   HD12  LEU 852          HD12      LEU 852   1.683   0.486  -4.924
  241   HD13  LEU 852          HD13      LEU 852   1.869   1.944  -3.934
  242   HD21  LEU 852          HD21      LEU 852   0.096   1.873  -6.296
  243   HD22  LEU 852          HD22      LEU 852   0.712   3.262  -7.198
  244   HD23  LEU 852          HD23      LEU 852   0.463   3.384  -5.459
  245    HA   PRO 853           HA       PRO 853   5.250   7.933  -7.409
  246    HB2  PRO 853           HB2      PRO 853   3.799   9.382  -5.532
  247    HB3  PRO 853           HB1      PRO 853   3.445   9.344  -7.277
  248    HG2  PRO 853           HG2      PRO 853   2.188   7.786  -5.065
  249    HG3  PRO 853           HG1      PRO 853   1.429   8.533  -6.478
  250    HD2  PRO 853           HD2      PRO 853   1.863   5.914  -6.384
  251    HD3  PRO 853           HD1      PRO 853   2.083   6.819  -7.899
  252    HA   PRO 854           HA       PRO 854   8.165   7.319  -4.162
  253    HB2  PRO 854           HB2      PRO 854   7.949  10.258  -3.696
  254    HB3  PRO 854           HB1      PRO 854   9.387   9.259  -3.930
  255    HG2  PRO 854           HG2      PRO 854   8.476  10.800  -5.883
  256    HG3  PRO 854           HG1      PRO 854   9.159   9.196  -6.222
  257    HD2  PRO 854           HD2      PRO 854   6.347  10.106  -6.269
  258    HD3  PRO 854           HD1      PRO 854   7.137   8.830  -7.209
  259    H    ASP 855           HN       ASP 855   5.949   9.942  -3.148
  260    HA   ASP 855           HA       ASP 855   6.096   9.447  -0.422
  261    HB2  ASP 855           HB2      ASP 855   4.052  10.770  -2.160
  262    HB3  ASP 855           HB1      ASP 855   3.733  10.551  -0.452
  263    H    GLN 856           HN       GLN 856   3.891   8.060  -2.799
  264    HA   GLN 856           HA       GLN 856   2.269   6.723  -0.891
  265    HB2  GLN 856           HB2      GLN 856   1.553   7.314  -3.228
  266    HB3  GLN 856           HB1      GLN 856   2.610   6.033  -3.809
  267    HG2  GLN 856           HG2      GLN 856   0.502   5.047  -3.749
  268    HG3  GLN 856           HG1      GLN 856   1.293   4.478  -2.278
  269   HE21  GLN 856          HE21      GLN 856  -1.222   6.416  -3.624
  270   HE22  GLN 856          HE22      GLN 856  -2.026   6.794  -2.141
  271    H    ALA 857           HN       ALA 857   4.752   5.582  -3.177
  272    HA   ALA 857           HA       ALA 857   4.835   2.927  -2.364
  273    HB1  ALA 857           HB1      ALA 857   7.139   2.910  -3.328
  274    HB2  ALA 857           HB2      ALA 857   7.025   4.658  -3.495
  275    HB3  ALA 857           HB3      ALA 857   5.915   3.617  -4.384
  276    H    GLU 858           HN       GLU 858   6.726   5.676  -1.126
  277    HA   GLU 858           HA       GLU 858   8.288   4.190   0.671
  278    HB2  GLU 858           HB2      GLU 858   7.388   7.053   0.690
  279    HB3  GLU 858           HB1      GLU 858   8.482   6.396   1.891
  280    HG2  GLU 858           HG2      GLU 858   9.022   6.303  -1.075
  281    HG3  GLU 858           HG1      GLU 858   9.569   7.605  -0.022
  282    H    TYR 859           HN       TYR 859   5.113   5.652   0.985
  283    HA   TYR 859           HA       TYR 859   4.759   5.097   3.754
  284    HB2  TYR 859           HB2      TYR 859   3.364   6.752   2.690
  285    HB3  TYR 859           HB1      TYR 859   2.787   5.579   1.511
  286    HD1  TYR 859           HD1      TYR 859   2.746   6.349   5.149
  287    HD2  TYR 859           HD2      TYR 859   0.823   4.376   1.907
  288    HE1  TYR 859           HE1      TYR 859   0.836   5.841   6.603
  289    HE2  TYR 859           HE2      TYR 859  -1.099   3.857   3.359
  290    HH   TYR 859           HH       TYR 859  -1.471   5.286   6.477
  291    H    CYS 860           HN       CYS 860   3.857   3.385   0.776
  292    HA   CYS 860           HA       CYS 860   2.527   1.227   1.998
  293    HB2  CYS 860           HB2      CYS 860   4.084   1.279  -0.604
  294    HB3  CYS 860           HB1      CYS 860   2.909   0.059  -0.129
  295    HG   CYS 860           HG       CYS 860   1.948   3.317  -0.346
  296    H    ILE 861           HN       ILE 861   5.919   1.753   1.177
  297    HA   ILE 861           HA       ILE 861   6.932  -0.795   1.743
  298    HB   ILE 861           HB       ILE 861   8.105   1.979   1.739
  299   HG12  ILE 861          HG12      ILE 861   8.748  -0.496   0.131
  300   HG13  ILE 861          HG11      ILE 861   7.636   0.764  -0.372
  301   HG21  ILE 861          HG21      ILE 861   9.208   0.696   3.565
  302   HG22  ILE 861          HG22      ILE 861  10.290   1.189   2.274
  303   HG23  ILE 861          HG23      ILE 861   9.727  -0.479   2.363
  304   HD11  ILE 861          HD11      ILE 861   9.637   1.189  -1.482
  305   HD12  ILE 861          HD12      ILE 861  10.608   0.915  -0.034
  306   HD13  ILE 861          HD13      ILE 861   9.593   2.353  -0.163
  307    H    ALA 862           HN       ALA 862   6.267   1.989   3.846
  308    HA   ALA 862           HA       ALA 862   7.410   0.767   6.176
  309    HB1  ALA 862           HB1      ALA 862   6.595   2.734   7.363
  310    HB2  ALA 862           HB2      ALA 862   5.643   3.196   5.952
  311    HB3  ALA 862           HB3      ALA 862   7.406   3.197   5.863
  312    H    ARG 863           HN       ARG 863   4.390   0.566   4.610
  313    HA   ARG 863           HA       ARG 863   3.084  -0.352   7.062
  314    HB2  ARG 863           HB2      ARG 863   1.971   0.477   4.392
  315    HB3  ARG 863           HB1      ARG 863   0.994  -0.254   5.665
  316    HG2  ARG 863           HG2      ARG 863   2.507   2.346   5.908
  317    HG3  ARG 863           HG1      ARG 863   0.779   2.180   5.611
  318    HD2  ARG 863           HD2      ARG 863   1.990   0.869   8.008
  319    HD3  ARG 863           HD1      ARG 863   1.631   2.589   8.043
  320    HE   ARG 863           HE       ARG 863  -0.714   1.795   7.344
  321   HH11  ARG 863          HH11      ARG 863   0.162  -0.803  10.284
  322   HH12  ARG 863          HH12      ARG 863   1.445  -0.039   9.401
  323   HH21  ARG 863          HH21      ARG 863  -2.428   0.750   8.521
  324   HH22  ARG 863          HH22      ARG 863  -2.020  -0.375   9.775
  325    H    MET 864           HN       MET 864   5.054  -1.849   5.361
  326    HA   MET 864           HA       MET 864   3.372  -4.170   4.693
  327    HB2  MET 864           HB2      MET 864   6.044  -3.265   3.632
  328    HB3  MET 864           HB1      MET 864   5.543  -4.945   3.481
  329    HG2  MET 864           HG2      MET 864   3.588  -4.269   2.228
  330    HG3  MET 864           HG1      MET 864   4.027  -2.572   2.436
  331    HE1  MET 864           HE1      MET 864   3.353  -3.894  -0.330
  332    HE2  MET 864           HE2      MET 864   4.655  -3.326  -1.386
  333    HE3  MET 864           HE3      MET 864   3.877  -2.206  -0.266
  334    H    ALA 865           HN       ALA 865   5.052  -6.237   4.809
  335    HA   ALA 865           HA       ALA 865   6.153  -6.180   7.533
  336    HB1  ALA 865           HB1      ALA 865   5.193  -8.207   8.094
  337    HB2  ALA 865           HB2      ALA 865   4.915  -8.653   6.414
  338    HB3  ALA 865           HB3      ALA 865   3.903  -7.424   7.181
  339    HA   PRO 866           HA       PRO 866   9.922  -7.662   5.805
  340    HB2  PRO 866           HB2      PRO 866  10.630  -9.548   7.712
  341    HB3  PRO 866           HB1      PRO 866  10.920  -7.816   7.860
  342    HG2  PRO 866           HG2      PRO 866   8.727  -9.440   9.016
  343    HG3  PRO 866           HG1      PRO 866   9.641  -8.097   9.742
  344    HD2  PRO 866           HD2      PRO 866   7.172  -7.708   8.787
  345    HD3  PRO 866           HD1      PRO 866   8.440  -6.486   8.580
  346    H    TYR 867           HN       TYR 867   9.230  -8.695   3.967
  347    HA   TYR 867           HA       TYR 867   8.239 -10.318   2.685
  348    HB2  TYR 867           HB2      TYR 867  10.038 -12.072   2.228
  349    HB3  TYR 867           HB1      TYR 867  10.393 -10.393   1.935
  350    HD1  TYR 867           HD1      TYR 867  11.290  -9.353   4.466
  351    HD2  TYR 867           HD2      TYR 867  12.008 -13.186   2.726
  352    HE1  TYR 867           HE1      TYR 867  13.390  -9.532   5.745
  353    HE2  TYR 867           HE2      TYR 867  14.081 -13.379   4.033
  354    HH   TYR 867           HH       TYR 867  15.649 -12.135   5.199
  355    H    THR 868           HN       THR 868   9.777 -12.592   5.033
  356    HA   THR 868           HA       THR 868   8.933 -14.382   6.094
  357    HB   THR 868           HB       THR 868   6.236 -13.128   5.609
  358    HG1  THR 868           HG1      THR 868   7.847 -11.825   6.789
  359   HG21  THR 868          HG21      THR 868   5.349 -14.522   7.231
  360   HG22  THR 868          HG22      THR 868   6.925 -14.893   7.924
  361   HG23  THR 868          HG23      THR 868   6.450 -15.605   6.380
  362    H    GLY 869           HN       GLY 869   9.412 -16.080   4.849
  363    HA2  GLY 869           HA2      GLY 869   7.389 -17.539   3.559
  364    HA3  GLY 869           HA1      GLY 869   8.295 -16.668   2.329
  365    HA   PRO 870           HA       PRO 870  10.526 -20.684   3.522
  366    HB2  PRO 870           HB2      PRO 870   9.985 -21.551   0.775
  367    HB3  PRO 870           HB1      PRO 870   9.653 -22.391   2.294
  368    HG2  PRO 870           HG2      PRO 870   7.682 -21.389   0.751
  369    HG3  PRO 870           HG1      PRO 870   7.565 -21.462   2.531
  370    HD2  PRO 870           HD2      PRO 870   8.230 -19.141   0.760
  371    HD3  PRO 870           HD1      PRO 870   7.194 -19.201   2.206
  372    H    ASP 871           HN       ASP 871  10.859 -18.063   1.656
  373    HA   ASP 871           HA       ASP 871  13.571 -18.742   0.876
  374    HB2  ASP 871           HB2      ASP 871  12.127 -19.235  -1.108
  375    HB3  ASP 871           HB1      ASP 871  11.623 -17.545  -1.122
  376    H    SER 872           HN       SER 872  14.647 -17.258   2.000
  377    HA   SER 872           HA       SER 872  13.564 -14.730   2.733
  378    HB2  SER 872           HB2      SER 872  15.161 -15.671   4.204
  379    HB3  SER 872           HB1      SER 872  16.321 -15.966   2.906
  380    HG   SER 872           HG       SER 872  16.535 -13.672   2.718
  381    H    VAL 873           HN       VAL 873  12.987 -13.663   0.911
  382    HA   VAL 873           HA       VAL 873  14.826 -13.133  -1.223
  383    HB   VAL 873           HB       VAL 873  13.003 -11.542  -1.996
  384   HG11  VAL 873          HG11      VAL 873  13.127 -13.790  -2.874
  385   HG12  VAL 873          HG12      VAL 873  11.443 -13.359  -2.595
  386   HG13  VAL 873          HG13      VAL 873  12.281 -14.418  -1.461
  387   HG21  VAL 873          HG21      VAL 873  11.887 -10.928  -0.032
  388   HG22  VAL 873          HG22      VAL 873  11.753 -12.591   0.537
  389   HG23  VAL 873          HG23      VAL 873  10.763 -12.034  -0.819
  390    HA   PRO 874           HA       PRO 874  16.523  -9.524   0.768
  391    HB2  PRO 874           HB2      PRO 874  18.508  -9.086  -0.963
  392    HB3  PRO 874           HB1      PRO 874  18.552 -10.469   0.140
  393    HG2  PRO 874           HG2      PRO 874  17.808 -10.384  -2.750
  394    HG3  PRO 874           HG1      PRO 874  18.787 -11.585  -1.891
  395    HD2  PRO 874           HD2      PRO 874  16.138 -11.907  -2.526
  396    HD3  PRO 874           HD1      PRO 874  16.948 -12.752  -1.188
  397    H    GLY 875           HN       GLY 875  15.842  -7.480   0.610
  398    HA2  GLY 875           HA2      GLY 875  15.363  -5.424  -0.373
  399    HA3  GLY 875           HA1      GLY 875  15.731  -6.124  -1.933
  400    H    ALA 876           HN       ALA 876  13.518  -8.032  -0.247
  401    HA   ALA 876           HA       ALA 876  11.247  -6.683  -1.555
  402    HB1  ALA 876           HB1      ALA 876  10.336  -8.987  -2.010
  403    HB2  ALA 876           HB2      ALA 876  11.940  -9.610  -1.606
  404    HB3  ALA 876           HB3      ALA 876  11.737  -8.513  -2.972
  405    H    LEU 877           HN       LEU 877   9.304  -6.758  -0.461
  406    HA   LEU 877           HA       LEU 877   9.381  -7.994   2.204
  407    HB2  LEU 877           HB2      LEU 877   9.368  -5.221   1.636
  408    HB3  LEU 877           HB1      LEU 877   7.774  -5.628   2.250
  409    HG   LEU 877           HG       LEU 877   8.930  -6.759   4.198
  410   HD11  LEU 877          HD11      LEU 877  11.217  -6.100   4.688
  411   HD12  LEU 877          HD12      LEU 877  11.309  -5.228   3.156
  412   HD13  LEU 877          HD13      LEU 877  11.137  -6.987   3.161
  413   HD21  LEU 877          HD21      LEU 877   9.320  -4.655   5.380
  414   HD22  LEU 877          HD22      LEU 877   7.861  -4.580   4.395
  415   HD23  LEU 877          HD23      LEU 877   9.337  -3.790   3.842
  416    H    ASP 878           HN       ASP 878   7.315  -8.476   3.123
  417    HA   ASP 878           HA       ASP 878   5.493  -9.677   1.348
  418    HB2  ASP 878           HB2      ASP 878   5.822 -10.383   3.679
  419    HB3  ASP 878           HB1      ASP 878   5.111  -8.877   4.242
  420    H    TYR 879           HN       TYR 879   4.060  -8.774   0.047
  421    HA   TYR 879           HA       TYR 879   3.195  -6.053   0.500
  422    HB2  TYR 879           HB2      TYR 879   2.704  -5.964  -1.726
  423    HB3  TYR 879           HB1      TYR 879   3.823  -7.320  -1.771
  424    HD1  TYR 879           HD1      TYR 879   0.483  -6.184  -2.432
  425    HD2  TYR 879           HD2      TYR 879   2.859  -9.670  -1.849
  426    HE1  TYR 879           HE1      TYR 879  -1.259  -7.550  -3.517
  427    HE2  TYR 879           HE2      TYR 879   1.127 -11.032  -2.915
  428    HH   TYR 879           HH       TYR 879  -1.541  -9.663  -4.604
  429    H    MET 880           HN       MET 880   1.903  -9.248   0.856
  430    HA   MET 880           HA       MET 880  -0.850  -8.757   0.754
  431    HB2  MET 880           HB2      MET 880  -0.055 -11.019   0.741
  432    HB3  MET 880           HB1      MET 880   0.750 -10.800   2.287
  433    HG2  MET 880           HG2      MET 880  -1.438 -10.518   3.358
  434    HG3  MET 880           HG1      MET 880  -2.209 -10.832   1.804
  435    HE1  MET 880           HE1      MET 880   1.089 -12.695   3.028
  436    HE2  MET 880           HE2      MET 880   0.377 -13.950   4.050
  437    HE3  MET 880           HE3      MET 880   0.222 -12.247   4.496
  438    H    SER 881           HN       SER 881   1.492  -8.339   3.279
  439    HA   SER 881           HA       SER 881  -0.278  -7.975   5.473
  440    HB2  SER 881           HB2      SER 881   2.471  -6.773   5.116
  441    HB3  SER 881           HB1      SER 881   1.638  -7.078   6.641
  442    HG   SER 881           HG       SER 881   2.480  -9.040   4.754
  443    H    PHE 882           HN       PHE 882   1.080  -5.773   3.065
  444    HA   PHE 882           HA       PHE 882   0.197  -3.376   4.243
  445    HB2  PHE 882           HB2      PHE 882   1.835  -3.357   2.457
  446    HB3  PHE 882           HB1      PHE 882   0.682  -4.077   1.344
  447    HD1  PHE 882           HD1      PHE 882   1.026  -1.075   3.544
  448    HD2  PHE 882           HD2      PHE 882  -0.438  -2.690  -0.121
  449    HE1  PHE 882           HE1      PHE 882   0.287   1.158   2.863
  450    HE2  PHE 882           HE2      PHE 882  -1.177  -0.439  -0.801
  451    HZ   PHE 882           HZ       PHE 882  -0.808   1.484   0.697
  452    H    SER 883           HN       SER 883  -1.297  -5.553   1.883
  453    HA   SER 883           HA       SER 883  -3.667  -4.082   1.487
  454    HB2  SER 883           HB2      SER 883  -3.356  -7.093   1.356
  455    HB3  SER 883           HB1      SER 883  -4.514  -6.099   0.478
  456    HG   SER 883           HG       SER 883  -2.751  -6.728  -0.837
  457    H    THR 884           HN       THR 884  -2.662  -6.390   3.920
  458    HA   THR 884           HA       THR 884  -5.224  -6.832   5.081
  459    HB   THR 884           HB       THR 884  -2.490  -7.132   6.371
  460    HG1  THR 884           HG1      THR 884  -2.904  -8.312   4.290
  461   HG21  THR 884          HG21      THR 884  -3.641  -8.847   7.741
  462   HG22  THR 884          HG22      THR 884  -5.161  -8.405   6.979
  463   HG23  THR 884          HG23      THR 884  -4.304  -7.232   7.977
  464    H    ALA 885           HN       ALA 885  -2.460  -4.774   6.020
  465    HA   ALA 885           HA       ALA 885  -3.705  -3.614   8.254
  466    HB1  ALA 885           HB1      ALA 885  -1.531  -2.499   6.475
  467    HB2  ALA 885           HB2      ALA 885  -1.296  -3.500   7.910
  468    HB3  ALA 885           HB3      ALA 885  -1.967  -1.877   8.067
  469    H    LEU 886           HN       LEU 886  -3.769  -2.866   4.857
  470    HA   LEU 886           HA       LEU 886  -5.046  -0.331   5.132
  471    HB2  LEU 886           HB2      LEU 886  -3.661  -0.962   3.180
  472    HB3  LEU 886           HB1      LEU 886  -4.883  -2.124   2.709
  473    HG   LEU 886           HG       LEU 886  -6.493  -0.167   2.551
  474   HD11  LEU 886          HD11      LEU 886  -3.972   1.468   2.506
  475   HD12  LEU 886          HD12      LEU 886  -5.031   1.358   3.910
  476   HD13  LEU 886          HD13      LEU 886  -5.637   2.039   2.398
  477   HD21  LEU 886          HD21      LEU 886  -5.604   0.531   0.338
  478   HD22  LEU 886          HD22      LEU 886  -5.619  -1.218   0.570
  479   HD23  LEU 886          HD23      LEU 886  -4.106  -0.318   0.719
  480    H    TYR 887           HN       TYR 887  -6.122  -3.606   5.005
  481    HA   TYR 887           HA       TYR 887  -8.822  -3.024   4.253
  482    HB2  TYR 887           HB2      TYR 887  -7.974  -5.221   3.744
  483    HB3  TYR 887           HB1      TYR 887  -7.549  -5.518   5.432
  484    HD1  TYR 887           HD1      TYR 887  -8.926  -7.055   6.447
  485    HD2  TYR 887           HD2      TYR 887 -10.627  -4.412   3.587
  486    HE1  TYR 887           HE1      TYR 887 -11.124  -8.084   6.816
  487    HE2  TYR 887           HE2      TYR 887 -12.844  -5.441   3.941
  488    HH   TYR 887           HH       TYR 887 -13.462  -7.580   6.571
  489    H    GLY 888           HN       GLY 888  -7.099  -3.475   7.314
  490    HA2  GLY 888           HA2      GLY 888  -9.444  -3.470   8.912
  491    HA3  GLY 888           HA1      GLY 888  -7.789  -3.220   9.465
  492    H    GLU 889           HN       GLU 889 -10.722  -1.825   9.264
  493    HA   GLU 889           HA       GLU 889  -9.687   0.908   8.973
  494    HB2  GLU 889           HB2      GLU 889 -12.046  -0.363   8.068
  495    HB3  GLU 889           HB1      GLU 889 -12.543   0.764   9.322
  496    HG2  GLU 889           HG2      GLU 889 -10.664   1.787   7.294
  497    HG3  GLU 889           HG1      GLU 889 -12.295   1.428   6.754
  498    H    SER 890           HN       SER 890 -10.222   2.473  10.554
  499    HA   SER 890           HA       SER 890 -10.265   1.386  13.250
  500    HB2  SER 890           HB2      SER 890 -10.163   4.299  12.437
  501    HB3  SER 890           HB1      SER 890  -9.665   3.595  13.975
  502    HG   SER 890           HG       SER 890  -8.411   2.489  11.792
  503    H    ASP 891           HN       ASP 891 -12.367   2.942  11.017
  504    HA   ASP 891           HA       ASP 891 -14.570   2.676  12.911
  505    HB2  ASP 891           HB2      ASP 891 -14.172   4.969  13.189
  506    HB3  ASP 891           HB1      ASP 891 -13.739   5.197  11.500
  507    H    LEU 892           HN       LEU 892 -15.183   0.858  11.738
  508    HA   LEU 892           HA       LEU 892 -16.684   1.446   9.324
  509    HB2  LEU 892           HB2      LEU 892 -14.460   0.867   8.456
  510    HB3  LEU 892           HB1      LEU 892 -14.480  -0.626   9.389
  511    HG   LEU 892           HG       LEU 892 -16.384  -1.421   8.033
  512   HD11  LEU 892          HD11      LEU 892 -15.906   1.102   6.461
  513   HD12  LEU 892          HD12      LEU 892 -17.340   0.712   7.415
  514   HD13  LEU 892          HD13      LEU 892 -16.957  -0.229   5.973
  515   HD21  LEU 892          HD21      LEU 892 -14.057  -1.984   7.446
  516   HD22  LEU 892          HD22      LEU 892 -14.006  -0.579   6.379
  517   HD23  LEU 892          HD23      LEU 892 -15.110  -1.905   6.035
  518    H1   GLY1646           HT1      GLY1646  -0.122  -6.550 -16.319
  519    H2   GLY1646           HT2      GLY1646  -1.276  -6.318 -17.533
  520    H3   GLY1646           HT3      GLY1646  -1.610  -5.842 -15.950
  521    HA2  GLY1646           HA1      GLY1646   0.488  -4.649 -17.672
  522    HA3  GLY1646           HA2      GLY1646  -1.083  -3.939 -17.353
  523    H    LYS1647           HN       LYS1647   1.690  -3.022 -16.757
  524    HA   LYS1647           HA       LYS1647   1.876  -3.135 -13.888
  525    HB2  LYS1647           HB2      LYS1647   3.493  -1.708 -15.997
  526    HB3  LYS1647           HB1      LYS1647   3.812  -1.548 -14.267
  527    HG2  LYS1647           HG2      LYS1647   3.951  -4.132 -14.298
  528    HG3  LYS1647           HG1      LYS1647   4.151  -3.930 -16.039
  529    HD2  LYS1647           HD2      LYS1647   6.330  -3.813 -15.478
  530    HD3  LYS1647           HD1      LYS1647   5.931  -2.121 -15.170
  531    HE2  LYS1647           HE2      LYS1647   5.381  -2.889 -12.791
  532    HE3  LYS1647           HE1      LYS1647   6.233  -4.372 -13.223
  533    HZ1  LYS1647           HZ1      LYS1647   7.874  -3.075 -12.256
  534    HZ2  LYS1647           HZ2      LYS1647   7.307  -1.630 -12.951
  535    HZ3  LYS1647           HZ3      LYS1647   8.111  -2.783 -13.912
  536    H    PHE1648           HN       PHE1648   1.442  -0.528 -16.296
  537    HA   PHE1648           HA       PHE1648   0.921   1.493 -14.406
  538    HB2  PHE1648           HB2      PHE1648   0.099   1.312 -17.318
  539    HB3  PHE1648           HB1      PHE1648   0.043   2.778 -16.344
  540    HD1  PHE1648           HD1      PHE1648   2.220   3.659 -15.380
  541    HD2  PHE1648           HD2      PHE1648   2.054   0.689 -18.437
  542    HE1  PHE1648           HE1      PHE1648   4.553   4.157 -15.998
  543    HE2  PHE1648           HE2      PHE1648   4.380   1.187 -19.050
  544    HZ   PHE1648           HZ       PHE1648   5.627   2.917 -17.836
  545    H    TYR1649           HN       TYR1649  -1.102  -0.840 -16.065
  546    HA   TYR1649           HA       TYR1649  -3.624   0.230 -15.491
  547    HB2  TYR1649           HB2      TYR1649  -2.935  -1.796 -16.975
  548    HB3  TYR1649           HB1      TYR1649  -3.093  -2.729 -15.491
  549    HD1  TYR1649           HD1      TYR1649  -5.142  -3.662 -14.986
  550    HD2  TYR1649           HD2      TYR1649  -5.005  -0.283 -17.562
  551    HE1  TYR1649           HE1      TYR1649  -7.570  -3.860 -15.372
  552    HE2  TYR1649           HE2      TYR1649  -7.420  -0.478 -17.965
  553    HH   TYR1649           HH       TYR1649  -9.195  -2.015 -17.814
  554    H    ALA1650           HN       ALA1650  -1.518  -1.916 -13.673
  555    HA   ALA1650           HA       ALA1650  -3.268  -2.414 -11.520
  556    HB1  ALA1650           HB1      ALA1650  -0.261  -2.444 -11.522
  557    HB2  ALA1650           HB2      ALA1650  -1.297  -3.772 -12.047
  558    HB3  ALA1650           HB3      ALA1650  -1.326  -3.243 -10.366
  559    H    THR1651           HN       THR1651  -0.709  -0.013 -12.002
  560    HA   THR1651           HA       THR1651  -0.776   1.181  -9.477
  561    HB   THR1651           HB       THR1651  -0.323   3.037 -11.723
  562    HG1  THR1651           HG1      THR1651   1.611   1.020 -11.427
  563   HG21  THR1651          HG21      THR1651   1.812   3.371 -10.508
  564   HG22  THR1651          HG22      THR1651   1.363   2.068  -9.408
  565   HG23  THR1651          HG23      THR1651   0.409   3.548  -9.455
  566    H    PHE1652           HN       PHE1652  -2.638   1.863 -12.410
  567    HA   PHE1652           HA       PHE1652  -4.005   4.134 -11.434
  568    HB2  PHE1652           HB2      PHE1652  -4.398   2.224 -13.680
  569    HB3  PHE1652           HB1      PHE1652  -5.742   3.274 -13.231
  570    HD1  PHE1652           HD1      PHE1652  -2.769   3.027 -15.129
  571    HD2  PHE1652           HD2      PHE1652  -5.210   5.790 -13.020
  572    HE1  PHE1652           HE1      PHE1652  -1.750   4.871 -16.387
  573    HE2  PHE1652           HE2      PHE1652  -4.190   7.650 -14.278
  574    HZ   PHE1652           HZ       PHE1652  -2.448   7.187 -15.962
  575    H    LEU1653           HN       LEU1653  -4.682   0.689 -11.183
  576    HA   LEU1653           HA       LEU1653  -7.336   0.892 -10.223
  577    HB2  LEU1653           HB2      LEU1653  -5.244  -1.240  -9.816
  578    HB3  LEU1653           HB1      LEU1653  -6.909  -1.402  -9.300
  579    HG   LEU1653           HG       LEU1653  -6.015  -1.034 -12.153
  580   HD11  LEU1653          HD11      LEU1653  -7.047  -3.495 -10.754
  581   HD12  LEU1653          HD12      LEU1653  -5.351  -3.196 -11.139
  582   HD13  LEU1653          HD13      LEU1653  -6.537  -3.363 -12.438
  583   HD21  LEU1653          HD21      LEU1653  -8.189  -0.187 -12.041
  584   HD22  LEU1653          HD22      LEU1653  -8.680  -1.374 -10.824
  585   HD23  LEU1653          HD23      LEU1653  -8.421  -1.880 -12.494
  586    H    ILE1654           HN       ILE1654  -4.178   0.789  -8.623
  587    HA   ILE1654           HA       ILE1654  -5.151   0.745  -5.967
  588    HB   ILE1654           HB       ILE1654  -2.522   1.944  -6.869
  589   HG12  ILE1654          HG12      ILE1654  -3.148  -0.949  -6.221
  590   HG13  ILE1654          HG11      ILE1654  -2.820  -0.317  -7.834
  591   HG21  ILE1654          HG21      ILE1654  -3.432   0.702  -4.279
  592   HG22  ILE1654          HG22      ILE1654  -3.046   2.396  -4.571
  593   HG23  ILE1654          HG23      ILE1654  -1.769   1.174  -4.639
  594   HD11  ILE1654          HD11      ILE1654  -0.567   0.023  -7.370
  595   HD12  ILE1654          HD12      ILE1654  -0.930  -1.499  -6.568
  596   HD13  ILE1654          HD13      ILE1654  -0.823  -0.019  -5.630
  597    H    GLN1655           HN       GLN1655  -4.209   3.356  -8.128
  598    HA   GLN1655           HA       GLN1655  -4.457   5.491  -6.359
  599    HB2  GLN1655           HB2      GLN1655  -4.755   5.278  -9.347
  600    HB3  GLN1655           HB1      GLN1655  -4.967   6.817  -8.516
  601    HG2  GLN1655           HG2      GLN1655  -2.702   6.705  -7.668
  602    HG3  GLN1655           HG1      GLN1655  -2.489   5.110  -8.393
  603   HE21  GLN1655          HE21      GLN1655  -2.853   8.524  -9.030
  604   HE22  GLN1655          HE22      GLN1655  -2.246   8.481 -10.656
  605    H    GLU1656           HN       GLU1656  -6.890   4.091  -8.544
  606    HA   GLU1656           HA       GLU1656  -8.949   5.911  -7.860
  607    HB2  GLU1656           HB2      GLU1656  -8.663   4.033  -9.807
  608    HB3  GLU1656           HB1      GLU1656  -9.782   3.222  -8.732
  609    HG2  GLU1656           HG2      GLU1656 -10.878   4.496 -10.516
  610    HG3  GLU1656           HG1      GLU1656 -11.353   5.019  -8.901
  611    H    TYR1657           HN       TYR1657  -7.952   2.786  -6.525
  612    HA   TYR1657           HA       TYR1657 -10.246   2.370  -4.926
  613    HB2  TYR1657           HB2      TYR1657  -8.536   0.613  -5.413
  614    HB3  TYR1657           HB1      TYR1657  -7.434   1.441  -4.316
  615    HD1  TYR1657           HD1      TYR1657  -7.424   0.853  -2.057
  616    HD2  TYR1657           HD2      TYR1657 -10.852  -0.041  -4.418
  617    HE1  TYR1657           HE1      TYR1657  -8.400  -0.373  -0.161
  618    HE2  TYR1657           HE2      TYR1657 -11.845  -1.258  -2.520
  619    HH   TYR1657           HH       TYR1657 -11.298  -2.263  -0.471
  620    H    PHE1658           HN       PHE1658  -7.122   3.890  -4.213
  621    HA   PHE1658           HA       PHE1658  -7.695   4.574  -1.535
  622    HB2  PHE1658           HB2      PHE1658  -5.734   5.524  -3.582
  623    HB3  PHE1658           HB1      PHE1658  -5.957   6.500  -2.126
  624    HD1  PHE1658           HD1      PHE1658  -4.630   6.058  -0.323
  625    HD2  PHE1658           HD2      PHE1658  -5.397   2.940  -3.112
  626    HE1  PHE1658           HE1      PHE1658  -3.117   4.570   0.923
  627    HE2  PHE1658           HE2      PHE1658  -3.883   1.454  -1.872
  628    HZ   PHE1658           HZ       PHE1658  -2.749   2.268   0.149
  629    H    ARG1659           HN       ARG1659  -8.224   6.236  -4.587
  630    HA   ARG1659           HA       ARG1659  -9.143   8.660  -3.534
  631    HB2  ARG1659           HB2      ARG1659  -8.445   8.325  -5.881
  632    HB3  ARG1659           HB1      ARG1659  -9.886   7.357  -6.161
  633    HG2  ARG1659           HG2      ARG1659 -11.228   9.167  -6.300
  634    HG3  ARG1659           HG1      ARG1659 -10.327  10.065  -5.079
  635    HD2  ARG1659           HD2      ARG1659 -10.178  11.013  -7.378
  636    HD3  ARG1659           HD1      ARG1659  -8.625  10.641  -6.630
  637    HE   ARG1659           HE       ARG1659  -9.811   8.657  -8.444
  638   HH11  ARG1659          HH11      ARG1659  -6.363  10.595  -9.158
  639   HH12  ARG1659          HH12      ARG1659  -7.368  11.092  -7.836
  640   HH21  ARG1659          HH21      ARG1659  -6.981   8.856 -10.488
  641   HH22  ARG1659          HH22      ARG1659  -8.469   7.999 -10.195
  642    H    LYS1660           HN       LYS1660 -11.045   5.882  -4.788
  643    HA   LYS1660           HA       LYS1660 -13.541   6.986  -4.050
  644    HB2  LYS1660           HB2      LYS1660 -14.535   4.974  -4.708
  645    HB3  LYS1660           HB1      LYS1660 -13.092   5.059  -5.701
  646    HG2  LYS1660           HG2      LYS1660 -12.635   3.010  -5.034
  647    HG3  LYS1660           HG1      LYS1660 -12.297   3.669  -3.433
  648    HD2  LYS1660           HD2      LYS1660 -13.857   1.896  -3.149
  649    HD3  LYS1660           HD1      LYS1660 -14.756   3.399  -2.937
  650    HE2  LYS1660           HE2      LYS1660 -15.203   3.110  -5.517
  651    HE3  LYS1660           HE1      LYS1660 -14.858   1.419  -5.165
  652    HZ1  LYS1660           HZ1      LYS1660 -16.845   3.001  -3.654
  653    HZ2  LYS1660           HZ2      LYS1660 -16.648   1.323  -3.661
  654    HZ3  LYS1660           HZ3      LYS1660 -17.245   2.110  -5.034
  655    H    PHE1661           HN       PHE1661 -11.174   5.172  -2.243
  656    HA   PHE1661           HA       PHE1661 -12.844   4.316  -0.139
  657    HB2  PHE1661           HB2      PHE1661 -10.409   3.612  -0.617
  658    HB3  PHE1661           HB1      PHE1661  -9.943   5.073   0.246
  659    HD1  PHE1661           HD1      PHE1661 -11.720   1.859   0.563
  660    HD2  PHE1661           HD2      PHE1661 -10.003   5.172   2.603
  661    HE1  PHE1661           HE1      PHE1661 -11.957   0.653   2.703
  662    HE2  PHE1661           HE2      PHE1661 -10.246   3.991   4.743
  663    HZ   PHE1661           HZ       PHE1661 -11.215   1.726   4.800
  664    H    LYS1662           HN       LYS1662 -10.989   7.266  -0.646
  665    HA   LYS1662           HA       LYS1662 -11.528   8.471   1.842
  666    HB2  LYS1662           HB2      LYS1662 -10.934   9.721  -0.857
  667    HB3  LYS1662           HB1      LYS1662 -10.935  10.608   0.668
  668    HG2  LYS1662           HG2      LYS1662  -9.029   9.528   1.433
  669    HG3  LYS1662           HG1      LYS1662  -9.215   8.183   0.308
  670    HD2  LYS1662           HD2      LYS1662  -8.805   9.886  -1.539
  671    HD3  LYS1662           HD1      LYS1662  -8.295  10.976  -0.255
  672    HE2  LYS1662           HE2      LYS1662  -7.073   8.310  -0.952
  673    HE3  LYS1662           HE1      LYS1662  -6.360   9.909  -1.187
  674    HZ1  LYS1662           HZ1      LYS1662  -5.487   8.775   0.790
  675    HZ2  LYS1662           HZ2      LYS1662  -7.029   8.735   1.462
  676    HZ3  LYS1662           HZ3      LYS1662  -6.268  10.211   1.186
  677    H    LYS1663           HN       LYS1663 -13.215   8.532  -1.238
  678    HA   LYS1663           HA       LYS1663 -15.229  10.360  -0.523
  679    HB2  LYS1663           HB2      LYS1663 -15.620   8.103  -2.489
  680    HB3  LYS1663           HB1      LYS1663 -16.339   9.701  -2.511
  681    HG2  LYS1663           HG2      LYS1663 -14.149  10.674  -2.996
  682    HG3  LYS1663           HG1      LYS1663 -13.448   9.058  -3.020
  683    HD2  LYS1663           HD2      LYS1663 -13.864   9.629  -5.302
  684    HD3  LYS1663           HD1      LYS1663 -15.139   8.504  -4.839
  685    HE2  LYS1663           HE2      LYS1663 -16.023  10.395  -6.115
  686    HE3  LYS1663           HE1      LYS1663 -16.675  10.335  -4.483
  687    HZ1  LYS1663           HZ1      LYS1663 -14.410  12.055  -5.305
  688    HZ2  LYS1663           HZ2      LYS1663 -15.226  12.074  -3.817
  689    HZ3  LYS1663           HZ3      LYS1663 -16.018  12.570  -5.219
  690    H    ARG1664           HN       ARG1664 -14.964   6.867  -0.273
  691    HA   ARG1664           HA       ARG1664 -17.581   6.252   0.489
  692    HB2  ARG1664           HB2      ARG1664 -15.636   4.661  -0.091
  693    HB3  ARG1664           HB1      ARG1664 -15.149   4.847   1.589
  694    HG2  ARG1664           HG2      ARG1664 -17.923   3.954   0.875
  695    HG3  ARG1664           HG1      ARG1664 -16.576   2.819   0.925
  696    HD2  ARG1664           HD2      ARG1664 -17.481   4.565   3.223
  697    HD3  ARG1664           HD1      ARG1664 -17.844   2.852   3.030
  698    HE   ARG1664           HE       ARG1664 -15.166   2.857   2.942
  699   HH11  ARG1664          HH11      ARG1664 -16.390   4.206   6.520
  700   HH12  ARG1664          HH12      ARG1664 -17.445   4.323   5.148
  701   HH21  ARG1664          HH21      ARG1664 -13.732   2.768   4.754
  702   HH22  ARG1664          HH22      ARG1664 -14.267   3.334   6.304
  703    H    LYS1665           HN       LYS1665 -14.754   7.208   2.373
  704    HA   LYS1665           HA       LYS1665 -15.929   6.953   4.939
  705    HB2  LYS1665           HB2      LYS1665 -13.466   7.145   4.390
  706    HB3  LYS1665           HB1      LYS1665 -13.724   8.868   4.161
  707    HG2  LYS1665           HG2      LYS1665 -12.862   8.561   6.350
  708    HG3  LYS1665           HG1      LYS1665 -14.572   8.965   6.516
  709    HD2  LYS1665           HD2      LYS1665 -15.160   6.749   7.063
  710    HD3  LYS1665           HD1      LYS1665 -13.632   6.104   6.457
  711    HE2  LYS1665           HE2      LYS1665 -12.476   7.300   8.292
  712    HE3  LYS1665           HE1      LYS1665 -14.045   7.829   8.890
  713    HZ1  LYS1665           HZ1      LYS1665 -13.413   4.951   8.545
  714    HZ2  LYS1665           HZ2      LYS1665 -14.630   5.670   9.484
  715    HZ3  LYS1665           HZ3      LYS1665 -13.021   5.793   9.958
  716    H    GLU1666           HN       GLU1666 -16.028   9.441   2.504
  717    HA   GLU1666           HA       GLU1666 -17.012  11.532   4.173
  718    HB2  GLU1666           HB2      GLU1666 -17.195  11.165   1.173
  719    HB3  GLU1666           HB1      GLU1666 -17.594  12.649   2.030
  720    HG2  GLU1666           HG2      GLU1666 -15.251  12.722   2.852
  721    HG3  GLU1666           HG1      GLU1666 -14.902  11.334   1.830
  722    H    GLN1667           HN       GLN1667 -18.397   8.843   2.531
  723    HA   GLN1667           HA       GLN1667 -21.116   9.817   2.783
  724    HB2  GLN1667           HB2      GLN1667 -20.075   7.121   1.885
  725    HB3  GLN1667           HB1      GLN1667 -21.750   7.662   1.780
  726    HG2  GLN1667           HG2      GLN1667 -19.392   8.853   0.338
  727    HG3  GLN1667           HG1      GLN1667 -20.645   7.818  -0.363
  728   HE21  GLN1667          HE21      GLN1667 -22.709   8.666  -0.724
  729   HE22  GLN1667          HE22      GLN1667 -23.013  10.369  -0.711
  730    H    GLY1668           HN       GLY1668 -19.361   6.911   3.921
  731    HA2  GLY1668           HA2      GLY1668 -19.597   6.903   6.541
  732    HA3  GLY1668           HA1      GLY1668 -21.290   6.655   6.106