*HEADER    OXIDOREDUCTASE                          10-OCT-00   1G10              
*TITLE     TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR                
*TITLE    2 STRUCTURE                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D, T4MOD;            
*COMPND   5 EC: 1.14.13.-;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MENDOCINA;                          
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: KR1;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    AROMATIC HYDROCARBON CATABOLISM, OXIDOREDUCTASE,                      
*KEYWDS   2 MONOOXYGENASE, TOLUENE OXIDATION                                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    H.HEMMI, J.M.STUDTS, Y.K.CHAE, J.SONG, J.L.MARKLEY, B.G.FOX           
*REVDAT   1   09-MAY-01 1G10    0                                                
!!intra

!S1

!T2

!L3

!A4
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 2.0 0.2 2.1

!D5
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.0 0.2 0.9
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.0 0.2 2.1

!Q6
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.0 0.2 1.5
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.0 0.2 3.6
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 2.0 0.2 3.6
assign (resid    6 and  name HE2# )(resid    6 and  name HB#  ) 2.0 0.2 4.0
assign (resid    6 and  name HE2# )(resid    6 and  name HG#  ) 2.0 0.2 4.0
assign (resid    6 and  name HA   )(resid    6 and  name HG#  ) 2.0 0.2 4.0

!A7
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.0 0.2 2.1

!L8
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 2.1
assign (resid    8 and  name  HA  )(resid    8 and  name HD#  ) 2.0 0.2 4.0

!H9
assign (resid    9 and  name HA   )(resid    9 and  name HD2  ) 2.0 0.2 3.0
assign (resid    9 and  name HB3  )(resid    9 and  name HD2  ) 2.0 0.2 3.0
assign (resid    9 and  name HB2  )(resid    9 and  name HD2  ) 2.0 0.2 3.0

!N10

!N11
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.0 0.2 1.5

!N12
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.0 0.2 1.5
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 2.0 0.2 2.1
assign (resid   12 and  name HN   )(resid   12 and  name HD2# ) 2.0 0.2 4.0
assign (resid   12 and  name HD2# )(resid   12 and  name HB#  ) 2.0 0.2 5.0

!V13
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.0 0.2 3.0
assign (resid   13 and  name HN   )(resid   13 and  name HB   ) 2.0 0.2 1.5
assign (resid   13 and  name HN   )(resid   13 and  name HG1# ) 2.0 0.2 2.5
assign (resid   13 and  name HN   )(resid   13 and  name HG2# ) 2.0 0.2 2.5
assign (resid   13 and  name HA   )(resid   13 and  name HG1# ) 2.0 0.2 1.7
assign (resid   13 and  name HA   )(resid   13 and  name HG2# ) 2.0 0.2 1.7

!G14
assign (resid   14 and  name HN   )(resid   14 and  name HA#  ) 2.0 0.2 1.5

!P15
assign (resid   15 and  name HA   )(resid   15 and  name HD#  ) 2.0 0.2 2.3

!I16
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.0 0.2 3.0
assign (resid   16 and  name HN   )(resid   16 and  name HB   ) 2.0 0.2 3.0
assign (resid   16 and  name HN   )(resid   16 and  name HG1# ) 2.0 0.2 2.8
assign (resid   16 and  name HN   )(resid   16 and  name HG2# ) 2.0 0.2 2.8
assign (resid   16 and  name HN   )(resid   16 and  name HD1# ) 2.0 0.2 3.6

!I17
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.0 0.2 3.0
assign (resid   17 and  name HN   )(resid   17 and  name HB   ) 2.0 0.2 2.0
assign (resid   17 and  name HN   )(resid   17 and  name HG1# ) 2.0 0.2 4.0
assign (resid   17 and  name HN   )(resid   17 and  name HG2# ) 2.0 0.2 4.0
assign (resid   17 and  name HN   )(resid   17 and  name HD1# ) 2.0 0.2 4.0
assign (resid   17 and  name HA   )(resid   17 and  name HG1# ) 2.0 0.2 
2.3 !c13

!R18
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.0 0.2 3.0
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 2.0 0.2 1.9
assign (resid   18 and  name HA   )(resid   18 and  name HG#  ) 2.0 0.2 2.3

!A19
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.0 0.2 3.0
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.0 0.2 1.5

!G20
assign (resid   20 and  name HN   )(resid   20 and  name HA#  ) 2.0 0.2 2.1

!D21
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.0 0.2 3.0
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 2.0 0.2 3.6

!L22
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.0 0.2 0.9
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.0 0.2 2.1
assign (resid   22 and  name HN   )(resid   22 and  name HG   ) 2.0 0.2 3.0
assign (resid   22 and  name HN   )(resid   22 and  name HD#  ) 2.0 0.2 4.0
assign (resid   22 and  name HA   )(resid   22 and  name HD#  ) 2.0 0.2 
4.5 !nonstereo
assign (resid   22 and  name HB#  )(resid   22 and  name HD#  ) 2.0 0.2 
5.5 !nonstereo

!V23
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.0 0.2 1.5
assign (resid   23 and  name HN   )(resid   23 and  name HB   ) 2.0 0.2 0.9
assign (resid   23 and  name HN   )(resid   23 and  name HG1# ) 2.0 0.2 2.5
assign (resid   23 and  name HN   )(resid   23 and  name HG2# ) 2.0 0.2 1.9
assign (resid   23 and  name HA   )(resid   23 and  name HG1# ) 2.0 0.2 
2.2 !c13
assign (resid   23 and  name HA   )(resid   23 and  name HG2# ) 2.0 0.2 
2.2 !c13

!E24
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 2.0 0.2 1.5
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 2.0 0.2 1.5
assign (resid   24 and  name HN   )(resid   24 and  name HG#  ) 2.0 0.2 2.5

!P25
assign (resid   25 and  name HB#  )(resid   25 and  name HD#  ) 2.0 0.2 3.3

!V26
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 2.0 0.2 1.5
assign (resid   26 and  name HN   )(resid   26 and  name HB   ) 2.0 0.2 0.9
assign (resid   26 and  name HN   )(resid   26 and  name HG1# ) 2.0 0.2 
2.5 !non stereo
assign (resid   26 and  name HN   )(resid   26 and  name HG2# ) 2.0 0.2 
2.5 !non stereo
assign (resid   26 and  name HA   )(resid   26 and  name HG1# ) 2.0 0.2 
2.3 !c13
assign (resid   26 and  name HA   )(resid   26 and  name HG2# ) 2.0 0.2 
2.3 !c13

!I27
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 2.0 0.2 1.5
assign (resid   27 and  name HN   )(resid   27 and  name HB#  ) 2.0 0.2 1.5
assign (resid   27 and  name HN   )(resid   27 and  name HG1# ) 2.0 0.2 3.0
assign (resid   27 and  name HN   )(resid   27 and  name HG2# ) 2.0 0.2 2.1
assign (resid   27 and  name HN   )(resid   27 and  name HD1# ) 2.0 0.2 3.0
assign (resid   27 and  name HA   )(resid   27 and  name HG2# ) 2.0 0.2 2.5

!E28
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.0 0.2 1.5
assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 2.0 0.2 1.5
assign (resid   28 and  name HN   )(resid   28 and  name HB3  ) 2.0 0.2 1.5
assign (resid   28 and  name HN   )(resid   28 and  name HG#  ) 2.0 0.2 1.9

!T29
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 1.5
assign (resid   29 and  name HN   )(resid   29 and  name HB#  ) 2.0 0.2 1.5
assign (resid   29 and  name HN   )(resid   29 and  name HG2# ) 2.0 0.2 2.5
assign (resid   29 and  name HA   )(resid   29 and  name HG2# ) 2.0 0.2 2.3

!A30
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.0 0.2 1.5
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.0 0.2 1.5

!E31
assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 2.0 0.2 1.5
assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 2.0 0.2 1.5
assign (resid   31 and  name HN   )(resid   31 and  name HB3  ) 2.0 0.2 3.0
assign (resid   31 and  name HN   )(resid   31 and  name HG#  ) 2.0 0.2 2.5
assign (resid   31 and  name HA   )(resid   31 and  name HG#  ) 2.0 0.2 
2.3 !c13

!I32
assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 2.0 0.2 1.5
assign (resid   32 and  name HN   )(resid   32 and  name HB   ) 2.0 0.2 1.5
assign (resid   32 and  name HN   )(resid   32 and  name HG1# ) 2.0 0.2 1.9
assign (resid   32 and  name HN   )(resid   32 and  name HG2# ) 2.0 0.2 2.5
assign (resid   32 and  name HN   )(resid   32 and  name HD1# ) 2.0 0.2 2.5
assign (resid   32 and  name HA   )(resid   32 and  name HD1# ) 2.0 0.2 4.0
assign (resid   32 and  name HA   )(resid   32 and  name HG1# ) 2.0 0.2 3.6

!D33
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 2.0 0.2 1.5
assign (resid   33 and  name HN   )(resid   33 and  name HB3  ) 2.0 0.2 1.5
assign (resid   33 and  name HN   )(resid   33 and  name HB2  ) 2.0 0.2 1.5

!N34
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 2.0 0.2 1.5
assign (resid   34 and  name HN   )(resid   34 and  name HB3  ) 2.0 0.2 1.5
assign (resid   34 and  name HN   )(resid   34 and  name HB2  ) 2.0 0.2 0.9
assign (resid   34 and  name HN   )(resid   34 and  name HD2# ) 2.0 0.2 4.0
assign (resid   34 and  name HA   )(resid   34 and  name HB2  ) 2.0 0.2 1.5
assign (resid   34 and  name HA   )(resid   34 and  name HB3  ) 2.0 0.2 3.0
assign (resid   34 and  name HD2# )(resid   34 and  name HB3  ) 2.0 0.2 4.0
assign (resid   34 and  name HD2# )(resid   34 and  name HB2  ) 2.0 0.2 4.0

!P35
assign (resid   35 and  name HA   )(resid   35 and  name HG#  ) 2.0 0.2 2.0

!G36
assign (resid   36 and  name HN   )(resid   36 and  name HA#  ) 2.0 0.2 2.1

!K37
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.0 0.2 1.5
assign (resid   37 and  name HN   )(resid   37 and  name HB#  ) 2.0 0.2 1.5
assign (resid   37 and  name HN   )(resid   37 and  name HG#  ) 2.0 0.2 4.0
assign (resid   37 and  name HN   )(resid   37 and  name HD#  ) 2.0 0.2 1.9
assign (resid   37 and  name HG#  )(resid   37 and  name HE#  ) 2.0 0.2 3.3

!E38
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 2.0 0.2 1.5
assign (resid   38 and  name HN   )(resid   38 and  name HB#  ) 2.0 0.2 1.9
assign (resid   38 and  name HN   )(resid   38 and  name HG#  ) 2.0 0.2 2.5

!I39
assign (resid   39 and  name HN   )(resid   39 and  name HB#  ) 2.0 0.2 2.1
assign (resid   39 and  name HN   )(resid   39 and  name HG1# ) 2.0 0.2 4.0
assign (resid   39 and  name HN   )(resid   39 and  name HG2# ) 2.0 0.2 2.5
assign (resid   39 and  name HN   )(resid   39 and  name HD1# ) 2.0 0.2 2.5

!T40
assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 2.0 0.2 3.0
assign (resid   40 and  name HN   )(resid   40 and  name HB   ) 2.0 0.2 1.5
assign (resid   40 and  name HN   )(resid   40 and  name HG2# ) 2.0 0.2 2.5
assign (resid   40 and  name HA   )(resid   40 and  name HG2# ) 2.0 0.2 
2.3 !c13

!V41
assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 2.0 0.2 3.0
assign (resid   41 and  name HN   )(resid   41 and  name HB   ) 2.0 0.2 1.5
assign (resid   41 and  name HN   )(resid   41 and  name HG1# ) 2.0 0.2 4.0
assign (resid   41 and  name HN   )(resid   41 and  name HG2# ) 2.0 0.2 4.0

!E42
assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 2.0 0.2 3.0
assign (resid   42 and  name HN   )(resid   42 and  name HG#  ) 2.0 0.2 4.0

!D43
assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 2.0 0.2 3.0
assign (resid   43 and  name HN   )(resid   43 and  name HB#  ) 2.0 0.2 2.1

!R44
assign (resid   44 and  name HN   )(resid   44 and  name HA   ) 2.0 0.2 3.0
assign (resid   44 and  name HN   )(resid   44 and  name HB#  ) 2.0 0.2 3.6
assign (resid   44 and  name HN   )(resid   44 and  name HG#  ) 2.0 0.2 2.5

!R45
assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 2.0 0.2 0.9
assign (resid   45 and  name HN   )(resid   45 and  name HB2  ) 2.0 0.2 3.0
assign (resid   45 and  name HN   )(resid   45 and  name HB3  ) 2.0 0.2 3.0
assign (resid   45 and  name HN   )(resid   45 and  name HG#  ) 2.0 0.2 4.0
assign (resid   45 and  name HA   )(resid   45 and  name HB2  ) 2.0 0.2 3.0
assign (resid   45 and  name HA   )(resid   45 and  name HB3  ) 2.0 0.2 1.3
assign (resid   45 and  name HA   )(resid   45 and  name HG#  ) 2.0 0.2 2.3

!A46
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 2.0 0.2 1.5
assign (resid   46 and  name HN   )(resid   46 and  name HB#  ) 2.0 0.2 1.5

!Y47
assign (resid   47 and  name HN   )(resid   47 and  name HA   ) 2.0 0.2 3.0
assign (resid   47 and  name HN   )(resid   47 and  name HB3  ) 2.0 0.2 3.0
assign (resid   47 and  name HN   )(resid   47 and  name HB2  ) 2.0 0.2 3.0
assign (resid   47 and  name HN   )(resid   47 and  name HD#  ) 2.0 0.2 3.9
assign (resid   47 and  name HA   )(resid   47 and  name HB2  ) 2.0 0.2 1.3
assign (resid   47 and  name HA   )(resid   47 and  name HB3  ) 2.0 0.2 1.3
assign (resid   47 and  name HA   )(resid   47 and  name HD#  ) 2.0 0.2 5.4
assign (resid   47 and  name HA   )(resid   47 and  name HE#  ) 2.0 0.2 5.4
assign (resid   47 and  name HB#  )(resid   47 and  name HD#  ) 2.0 0.2 6.4
assign (resid   47 and  name HB#  )(resid   47 and  name HE#  ) 2.0 0.2 6.4

!V48
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 2.0 0.2 3.0
assign (resid   48 and  name HN   )(resid   48 and  name HB   ) 2.0 0.2 1.5
assign (resid   48 and  name HN   )(resid   48 and  name HG1# ) 2.0 0.2 4.5
assign (resid   48 and  name HN   )(resid   48 and  name HG2# ) 2.0 0.2 3.5

!R49
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 2.0 0.2 1.5
assign (resid   49 and  name HN   )(resid   49 and  name HB#  ) 2.0 0.2 2.1
assign (resid   49 and  name HN   )(resid   49 and  name HG#  ) 2.0 0.2 4.0

!I50
assign (resid   50 and  name HN   )(resid   50 and  name HB#  ) 2.0 0.2 1.5
assign (resid   50 and  name HN   )(resid   50 and  name HG2# ) 2.0 0.2 4.0
assign (resid   50 and  name HB#  )(resid   50 and  name HD1# ) 2.0 0.2 2.7

!A51
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 2.0 0.2 3.0
assign (resid   51 and  name HN   )(resid   51 and  name HB#  ) 2.0 0.2 2.5

!A52
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 2.0 0.2 3.0
assign (resid   52 and  name HN   )(resid   52 and  name HB#  ) 2.0 0.2 2.6

!E53
assign (resid   53 and  name HN   )(resid   53 and  name HA   ) 2.0 0.2 1.5
assign (resid   53 and  name HN   )(resid   53 and  name HB#  ) 2.0 0.2 1.5
assign (resid   53 and  name HN   )(resid   53 and  name HG#  ) 2.0 0.2 2.5

!G54
assign (resid   54 and  name HN   )(resid   54 and  name HA#  ) 2.0 0.2 2.1

!E55
assign (resid   55 and  name HN   )(resid   55 and  name HA   ) 2.0 0.2 1.5
assign (resid   55 and  name HN   )(resid   55 and  name HB#  ) 2.0 0.2 2.1
assign (resid   55 and  name HA   )(resid   55 and  name HG#  ) 2.0 0.2 
2.3 !c13

!L56
assign (resid   56 and  name HN   )(resid   56 and  name HB#  ) 2.0 0.2 3.6
assign (resid   56 and  name HA   )(resid   56 and  name HG   ) 2.0 0.2 3.0
assign (resid   56 and  name HB#  )(resid   56 and  name HD1# ) 2.0 0.2 3.8
assign (resid   56 and  name HB#  )(resid   56 and  name HD2# ) 2.0 0.2 3.8

!I57
assign (resid   57 and  name HN   )(resid   57 and  name HA   ) 2.0 0.2 3.0
assign (resid   57 and  name HN   )(resid   57 and  name HB#  ) 2.0 0.2 2.1
assign (resid   57 and  name HN   )(resid   57 and  name HG1# ) 2.0 0.2 3.0
assign (resid   57 and  name HA   )(resid   57 and  name HG2# ) 2.0 0.2 3.6
assign (resid   57 and  name HN   )(resid   57 and  name HD1# ) 2.0 0.2 3.6
assign (resid   57 and  name HA   )(resid   57 and  name HD1# ) 2.0 0.2 2.8

!L58
assign (resid   58 and  name HN   )(resid   58 and  name HA   ) 2.0 0.2 3.0
assign (resid   58 and  name HN   )(resid   58 and  name HB3  ) 2.0 0.2 3.0
assign (resid   58 and  name HN   )(resid   58 and  name HB2  ) 2.0 0.2 1.5
assign (resid   58 and  name HN   )(resid   58 and  name HD1# ) 2.0 0.2 
4.0 !non stereo
assign (resid   58 and  name HN   )(resid   58 and  name HD2# ) 2.0 0.2 
4.0 !non stereo

!T59
assign (resid   59 and  name HN   )(resid   59 and  name HA   ) 2.0 0.2 3.0
assign (resid   59 and  name HN   )(resid   59 and  name HB   ) 2.0 0.2 3.0
assign (resid   59 and  name HN   )(resid   59 and  name HG2# ) 2.0 0.2 1.9

!R60
assign (resid   60 and  name HN   )(resid   60 and  name HA   ) 2.0 0.2 0.9
assign (resid   60 and  name HN   )(resid   60 and  name HB#  ) 2.0 0.2 1.5
assign (resid   60 and  name HN   )(resid   60 and  name HG#  ) 2.0 0.2 4.0

!K61
assign (resid   61 and  name HN   )(resid   61 and  name HA   ) 2.0 0.2 0.9
assign (resid   61 and  name HN   )(resid   61 and  name HB#  ) 2.0 0.2 1.5
assign (resid   61 and  name HB#  )(resid   61 and  name HD#  ) 2.0 0.2 2.7

!T62
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 2.0 0.2 1.5
assign (resid   62 and  name HN   )(resid   62 and  name HB#  ) 2.0 0.2 2.1
assign (resid   62 and  name HN   )(resid   62 and  name HG2# ) 2.0 0.2 2.5
assign (resid   62 and  name HA   )(resid   62 and  name HG2# ) 2.0 0.2 
2.3 !c13

!L63
assign (resid   63 and  name HN   )(resid   63 and  name HA   ) 2.0 0.2 1.5
assign (resid   63 and  name HN   )(resid   63 and  name HB#  ) 2.0 0.2 2.1
assign (resid   63 and  name HN   )(resid   63 and  name HG   ) 2.0 0.2 3.0
assign (resid   63 and  name HN   )(resid   63 and  name HD1# ) 2.0 0.2 
4.0 !non stereo
assign (resid   63 and  name HN   )(resid   63 and  name HD2# ) 2.0 0.2 
4.0 !non stereo
assign (resid   63 and  name HA   )(resid   63 and  name HG   ) 2.0 0.2 
1.3 !c13
assign (resid   63 and  name HA   )(resid   63 and  name HD1# ) 2.0 0.2 4.0
assign (resid   63 and  name HA   )(resid   63 and  name HD2# ) 2.0 0.2 4.0


!E64
assign (resid   64 and  name HN   )(resid   64 and  name HA   ) 2.0 0.2 1.5
assign (resid   64 and  name HN   )(resid   64 and  name HB#  ) 2.0 0.2 2.1
assign (resid   64 and  name HN   )(resid   64 and  name HG#  ) 2.0 0.2 2.5
assign (resid   64 and  name HA   )(resid   64 and  name HG#  ) 2.0 0.2 
2.3 !c13

!E65
assign (resid   65 and  name HN   )(resid   65 and  name HA   ) 2.0 0.2 0.9
assign (resid   65 and  name HN   )(resid   65 and  name HB#  ) 2.0 0.2 2.1
assign (resid   65 and  name HN   )(resid   65 and  name HG#  ) 2.0 0.2 2.5
assign (resid   65 and  name HA   )(resid   65 and  name HG#  ) 2.0 0.2 
1.7 !c13

!Q66
assign (resid   66 and  name HN   )(resid   66 and  name HA   ) 2.0 0.2 0.9
assign (resid   66 and  name HN   )(resid   66 and  name HB#  ) 2.0 0.2 2.1
assign (resid   66 and  name HN   )(resid   66 and  name HG#  ) 2.0 0.2 2.5
assign (resid   66 and  name HA   )(resid   66 and  name HG#  ) 2.0 0.2 1.7

!L67
assign (resid   67 and  name HN   )(resid   67 and  name HA   ) 2.0 0.2 1.5
assign (resid   67 and  name HN   )(resid   67 and  name HB#  ) 2.0 0.2 2.1
assign (resid   67 and  name HN   )(resid   67 and  name HG   ) 2.0 0.2 0.9
assign (resid   67 and  name HN   )(resid   67 and  name HD1# ) 2.0 0.2 4.0
assign (resid   67 and  name HN   )(resid   67 and  name HD2# ) 2.0 0.2 4.0
assign (resid   67 and  name HA   )(resid   67 and  name HD1# ) 2.0 0.2 2.8
assign (resid   67 and  name HA   )(resid   67 and  name HD2# ) 2.0 0.2 2.8
assign (resid   67 and  name HB#  )(resid   67 and  name HD#  ) 2.0 0.2 3.2

!G68
assign (resid   68 and  name HN   )(resid   68 and  name HA#  ) 2.0 0.2 
1.5 !strong

!R69
assign (resid   69 and  name HN   )(resid   69 and  name HA   ) 2.0 0.2 
1.5 !medium
assign (resid   69 and  name HN   )(resid   69 and  name HB#  ) 2.0 0.2 2.1
assign (resid   69 and  name HN   )(resid   69 and  name HG#  ) 2.0 0.2 2.5
assign (resid   69 and  name HA   )(resid   69 and  name HD#  ) 2.0 0.2 3.6

!P70
assign (resid   70 and  name HA   )(resid   70 and  name HG#  ) 2.0 0.2 
2.3 !c13
assign (resid   70 and  name HB#  )(resid   70 and  name HD#  ) 2.0 0.2 
3.3 !c13

!F71
assign (resid   71 and  name HN   )(resid   71 and  name HA   ) 2.0 0.2 1.5
assign (resid   71 and  name HN   )(resid   71 and  name HB#  ) 2.0 0.2 1.9
assign (resid   71 and  name HA   )(resid   71 and  name HD#  ) 2.0 0.2 5.4
assign (resid   71 and  name HA   )(resid   71 and  name HE#  ) 2.0 0.2 5.4
assign (resid   71 and  name HB#  )(resid   71 and  name HD#  ) 2.0 0.2 6.4
assign (resid   71 and  name HB#  )(resid   71 and  name HE#  ) 2.0 0.2 6.4

!N72
assign (resid   72 and  name HN   )(resid   72 and  name HA   ) 2.0 0.2 3.0
assign (resid   72 and  name HN   )(resid   72 and  name HB3  ) 2.0 0.2 3.0
assign (resid   72 and  name HN   )(resid   72 and  name HB2  ) 2.0 0.2 1.5
assign (resid   72 and  name HD2# )(resid   72 and  name HB3  ) 2.0 0.2 3.0
assign (resid   72 and  name HD2# )(resid   72 and  name HB2  ) 2.0 0.2 3.0

!M73
assign (resid   73 and  name HN   )(resid   73 and  name HA   ) 2.0 0.2 1.5
assign (resid   73 and  name HN   )(resid   73 and  name HB#  ) 2.0 0.2 1.5
assign (resid   73 and  name HN   )(resid   73 and  name HG#  ) 2.0 0.2 1.9

!Q74
assign (resid   74 and  name HN   )(resid   74 and  name HA   ) 2.0 0.2 0.9
assign (resid   74 and  name HN   )(resid   74 and  name HB#  ) 2.0 0.2 1.5
assign (resid   74 and  name HN   )(resid   74 and  name HG#  ) 2.0 0.2 2.5

!E75
assign (resid   75 and  name HN   )(resid   75 and  name HA   ) 2.0 0.2 1.5
assign (resid   75 and  name HN   )(resid   75 and  name HB#  ) 2.0 0.2 1.5
assign (resid   75 and  name HN   )(resid   75 and  name HG#  ) 2.0 0.2 2.5
assign (resid   75 and  name HA   )(resid   75 and  name HG#  ) 2.0 0.2 
2.3 !c13

!L76
assign (resid   76 and  name HN   )(resid   76 and  name HA   ) 2.0 0.2 1.5
assign (resid   76 and  name HN   )(resid   76 and  name HB#  ) 2.0 0.2 1.5
assign (resid   76 and  name HN   )(resid   76 and  name HG   ) 2.0 0.2 3.0
assign (resid   76 and  name HN   )(resid   76 and  name HD1# ) 2.0 0.2 3.5
assign (resid   76 and  name HN   )(resid   76 and  name HD2# ) 2.0 0.2 3.5
assign (resid   76 and  name HA   )(resid   76 and  name HG   ) 2.0 0.2 3.0
assign (resid   76 and  name HA   )(resid   76 and  name HD#  ) 2.0 0.2 4.0
assign (resid   76 and  name HB#  )(resid   76 and  name HD#  ) 2.0 0.2 3.8

!E77
assign (resid   77 and  name HN   )(resid   77 and  name HA   ) 2.0 0.2 1.5
assign (resid   77 and  name HN   )(resid   77 and  name HB#  ) 2.0 0.2 1.5
assign (resid   77 and  name HN   )(resid   77 and  name HG#  ) 2.0 0.2 
2.3 !c13

!I78
assign (resid   78 and  name HN   )(resid   78 and  name HA   ) 2.0 0.2 0.9
assign (resid   78 and  name HN   )(resid   78 and  name HB#  ) 2.0 0.2 1.5
assign (resid   78 and  name HN   )(resid   78 and  name HG1# ) 2.0 0.2 2.5
assign (resid   78 and  name HN   )(resid   78 and  name HG2# ) 2.0 0.2 1.9
assign (resid   78 and  name HA   )(resid   78 and  name HG2# ) 2.0 0.2 1.7

!N79
assign (resid   79 and  name HN   )(resid   79 and  name HA   ) 2.0 0.2 1.5
assign (resid   79 and  name HN   )(resid   79 and  name HB#  ) 2.0 0.2 2.1
assign (resid   79 and  name HD2# )(resid   79 and  name HB#  ) 2.0 0.2 5.0

!L80
assign (resid   80 and  name HN   )(resid   80 and  name HA   ) 2.0 0.2 3.0
assign (resid   80 and  name HN   )(resid   80 and  name HB#  ) 2.0 0.2 1.5
assign (resid   80 and  name HN   )(resid   80 and  name HG   ) 2.0 0.2 3.0

!A81
assign (resid   81 and  name HN   )(resid   81 and  name HA   ) 2.0 0.2 3.0
assign (resid   81 and  name HN   )(resid   81 and  name HB#  ) 2.0 0.2 2.1

!S82
assign (resid   82 and  name HN   )(resid   82 and  name HA   ) 2.0 0.2 1.5

!F83
assign (resid   83 and  name HN   )(resid   83 and  name HA   ) 2.0 0.2 3.0
assign (resid   83 and  name HA   )(resid   83 and  name HD#  ) 2.0 0.2 5.4
assign (resid   83 and  name HA   )(resid   83 and  name HE#  ) 2.0 0.2 5.4
assign (resid   83 and  name HB3  )(resid   83 and  name HD#  ) 2.0 0.2 6.4
assign (resid   83 and  name HB2  )(resid   83 and  name HE#  ) 2.0 0.2 6.4
assign (resid   83 and  name HB3  )(resid   83 and  name HD#  ) 2.0 0.2 6.4
assign (resid   83 and  name HB2  )(resid   83 and  name HE#  ) 2.0 0.2 6.4

!A84
assign (resid   84 and  name HN   )(resid   84 and  name HA   ) 2.0 0.2 3.0
assign (resid   84 and  name HN   )(resid   84 and  name HB#  ) 2.0 0.2 2.1

!G85
assign (resid   85 and  name HN   )(resid   85 and  name HA#  ) 2.0 0.2 2.1

!Q86
assign (resid   86 and  name HN   )(resid   86 and  name HA   ) 2.0 0.2 1.5
assign (resid   86 and  name HN   )(resid   86 and  name HB#  ) 2.0 0.2 2.1
assign (resid   86 and  name HE2# )(resid   86 and  name HB#  ) 2.0 0.2 5.0
assign (resid   86 and  name HE2# )(resid   86 and  name HG#  ) 2.0 0.2 5.0

!I87
assign (resid   87 and  name HN   )(resid   87 and  name HA   ) 2.0 0.2 3.0
assign (resid   87 and  name HN   )(resid   87 and  name HB   ) 2.0 0.2 3.0
assign (resid   87 and  name HN   )(resid   87 and  name HG1# ) 2.0 0.2 4.0
assign (resid   87 and  name HN   )(resid   87 and  name HG2# ) 2.0 0.2 2.5
assign (resid   87 and  name HA   )(resid   87 and  name HG1# ) 2.0 0.2 3.6
assign (resid   87 and  name HA   )(resid   87 and  name HG2# ) 2.0 0.2 4.1
assign (resid   87 and  name HA   )(resid   87 and  name HD1# ) 2.0 0.2 4.1

!Q88
assign (resid   88 and  name HN   )(resid   88 and  name HA   ) 2.0 0.2 3.0
assign (resid   88 and  name HN   )(resid   88 and  name HB#  ) 2.0 0.2 2.5
assign (resid   88 and  name HN   )(resid   88 and  name HG#  ) 2.0 0.2 4.0

!A89
assign (resid   89 and  name HN   )(resid   89 and  name HA   ) 2.0 0.2 1.5
assign (resid   89 and  name HN   )(resid   89 and  name HB#  ) 2.0 0.2 2.1

!D90
assign (resid   90 and  name HN   )(resid   90 and  name HA   ) 2.0 0.2 1.5
assign (resid   90 and  name HN   )(resid   90 and  name HB#  ) 2.0 0.2 3.6

!E91
assign (resid   91 and  name HN   )(resid   91 and  name HA   ) 2.0 0.2 1.5
assign (resid   91 and  name HN   )(resid   91 and  name HB#  ) 2.0 0.2 2.1
assign (resid   91 and  name HN   )(resid   91 and  name HG#  ) 2.0 0.2 1.9
assign (resid   91 and  name HA   )(resid   91 and  name HG#  ) 2.0 0.2 
2.3 !c13

!D92
assign (resid   92 and  name HN   )(resid   92 and  name HA   ) 2.0 0.2 1.5
assign (resid   92 and  name HN   )(resid   92 and  name HB#  ) 2.0 0.2 1.5

!Q93
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 2.0 0.2 1.5
assign (resid   93 and  name HN   )(resid   93 and  name HB#  ) 2.0 0.2 4.0
assign (resid   93 and  name HN   )(resid   93 and  name HG#  ) 2.0 0.2 2.5
assign (resid   93 and  name HA   )(resid   93 and  name HG#  ) 2.0 0.2 3.6

!I94
assign (resid   94 and  name HN   )(resid   94 and  name HA   ) 2.0 0.2 3.0
assign (resid   94 and  name HN   )(resid   94 and  name HB#  ) 2.0 0.2 2.1
assign (resid   94 and  name HN   )(resid   94 and  name HG2# ) 2.0 0.2 3.0
assign (resid   94 and  name HN   )(resid   94 and  name HD1# ) 2.0 0.2 4.5
assign (resid   94 and  name HB   )(resid   94 and  name HD1# ) 2.0 0.2 2.8

!R95
assign (resid   95 and  name HN   )(resid   95 and  name HA   ) 2.0 0.2 3.0
assign (resid   95 and  name HN   )(resid   95 and  name HB#  ) 2.0 0.2 2.1
assign (resid   95 and  name HN   )(resid   95 and  name HG#  ) 2.0 0.2 3.6
assign (resid   95 and  name HA   )(resid   95 and  name HD#  ) 2.0 0.2 
2.3 !c13
assign (resid   95 and  name HA   )(resid   95 and  name HG#  ) 2.0 0.2 3.6

!F96
assign (resid   96 and  name HN   )(resid   96 and  name HA   ) 2.0 0.2 3.0
assign (resid   96 and  name HN   )(resid   96 and  name HB#  ) 2.0 0.2 3.6
assign (resid   96 and  name HA   )(resid   96 and  name HD#  ) 2.0 0.2 5.4
assign (resid   96 and  name HA   )(resid   96 and  name HE#  ) 2.0 0.2 5.4
assign (resid   96 and  name HB#  )(resid   96 and  name HD#  ) 2.0 0.2 6.4
assign (resid   96 and  name HB#  )(resid   96 and  name HE#  ) 2.0 0.2 6.4

!Y97
assign (resid   97 and  name HN   )(resid   97 and  name HA   ) 2.0 0.2 3.0
assign (resid   97 and  name HN   )(resid   97 and  name HB#  ) 2.0 0.2 4.0
assign (resid   97 and  name HA   )(resid   97 and  name HD#  ) 2.0 0.2 5.4
assign (resid   97 and  name HA   )(resid   97 and  name HE#  ) 2.0 0.2 5.4
assign (resid   97 and  name HB#  )(resid   97 and  name HD#  ) 2.0 0.2 6.4
assign (resid   97 and  name HB#  )(resid   97 and  name HE#  ) 2.0 0.2 6.4

!F98
assign (resid   98 and  name HN   )(resid   98 and  name HA   ) 2.0 0.2 3.0
assign (resid   98 and  name HN   )(resid   98 and  name HB#  ) 2.0 0.2 1.5
assign (resid   98 and  name HA   )(resid   98 and  name HD#  ) 2.0 0.2 5.4
assign (resid   98 and  name HA   )(resid   98 and  name HE#  ) 2.0 0.2 5.4
assign (resid   98 and  name HB3  )(resid   98 and  name HD#  ) 2.0 0.2 5.4
assign (resid   98 and  name HB2  )(resid   98 and  name HE#  ) 2.0 0.2 5.4
assign (resid   98 and  name HB3  )(resid   98 and  name HD#  ) 2.0 0.2 5.4
assign (resid   98 and  name HB2  )(resid   98 and  name HE#  ) 2.0 0.2 5.4

!D99
assign (resid   99 and  name HN   )(resid   99 and  name HA   ) 2.0 0.2 1.5
assign (resid   99 and  name HN   )(resid   99 and  name HB3  ) 2.0 0.2 3.5
assign (resid   99 and  name HN   )(resid   99 and  name HB2  ) 2.0 0.2 3.5

!K100
assign (resid  100 and  name HN   )(resid  100 and  name HA   ) 2.0 0.2 1.5
assign (resid  100 and  name HN   )(resid  100 and  name HB#  ) 2.0 0.2 2.1
assign (resid  100 and  name HN   )(resid  100 and  name HG#  ) 2.0 0.2 4.0
assign (resid  100 and  name HN   )(resid  100 and  name HD#  ) 2.0 0.2 2.5

!T101
assign (resid  101 and  name HN   )(resid  101 and  name HB#  ) 2.0 0.2 2.1
assign (resid  101 and  name HN   )(resid  101 and  name HG2# ) 2.0 0.2 4.0
assign (resid  101 and  name HA   )(resid  101 and  name HG2# ) 2.0 0.2 
2.3 !c13

!M102
assign (resid  102 and  name HN   )(resid  102 and  name HA   ) 2.0 0.2 1.5
assign (resid  102 and  name HN   )(resid  102 and  name HB#  ) 2.0 0.2 3.6
assign (resid  102 and  name HN   )(resid  102 and  name HG#  ) 2.0 0.2 4.0


!!sequential
!S1
!T2
!L3
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.0 0.2 1.5

!A4
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 2.0 0.2 1.5
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 2.0 0.2 4.0

!D5
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.0 0.2 1.5
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 2.0 0.2 4.5

!Q6
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 2.0 0.2 1.5
assign (resid    6 and  name HN   )(resid    5 and  name HB#  ) 2.0 0.2 2.5

!A7
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 2.0 0.2 1.5
assign (resid    7 and  name HN   )(resid    6 and  name HB#  ) 2.0 0.2 4.0
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.0 0.2 1.5

!L8
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 2.0 0.2 0.9
assign (resid    8 and  name HN   )(resid    7 and  name HB#  ) 2.0 0.2 3.0

!H9
assign (resid    9 and  name HB#  )(resid    8 and  name HB#  ) 2.0 0.2 3.3
assign (resid    9 and  name HD2  )(resid    8 and  name HA   ) 2.0 0.2 5.4
assign (resid    9 and  name HD2  )(resid    8 and  name HB#  ) 2.0 0.2 6.4

!N10

!N11
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 2.0 0.2 1.5
assign (resid   11 and  name HN   )(resid   10 and  name HB#  ) 2.0 0.2 4.0
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.0 0.2 1.5

!N12
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 2.0 0.2 1.5
assign (resid   12 and  name HA   )(resid   11 and  name HB#  ) 2.0 0.2 2.8
assign (resid   12 and  name HA   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   12 and  name HA   )(resid   13 and  name HG2# ) 2.0 0.2 4.5

!V13
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 2.0 0.2 0.9
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 2.0 0.2 4.0
assign (resid   13 and  name HN   )(resid   12 and  name HN   ) 2.0 0.2 3.0
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.0 0.2 3.0

!G14
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 2.0 0.2 3.0
assign (resid   14 and  name HN   )(resid   13 and  name HB   ) 2.0 0.2 1.5
assign (resid   14 and  name HN   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   14 and  name HN   )(resid   13 and  name HG2# ) 2.0 0.2 4.5

!P15
assign (resid   15 and  name HA   )(resid   16 and  name HB   ) 2.0 0.2 3.0

!I16
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 2.0 0.2 1.5
assign (resid   16 and  name HN   )(resid   17 and  name HG2# ) 2.0 0.2 4.5

!I17
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 2.0 0.2 1.5
assign (resid   17 and  name HN   )(resid   16 and  name HD1# ) 2.0 0.2 3.0
assign (resid   17 and  name HN   )(resid   16 and  name HG2# ) 2.0 0.2 4.5
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.0 0.2 3.0
assign (resid   17 and  name HA   )(resid   18 and  name HB#  ) 2.0 0.2 4.0
assign (resid   17 and  name HB   )(resid   18 and  name HA   ) 2.0 0.2 3.0
assign (resid   17 and  name HG1# )(resid   18 and  name HG#  ) 2.0 0.2 3.7

!R18
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 2.0 0.2 0.9
assign (resid   18 and  name HN   )(resid   17 and  name HB   ) 2.0 0.2 3.0
assign (resid   18 and  name HN   )(resid   17 and  name HG2# ) 2.0 0.2 3.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 2.0 0.2 3.0

!A19
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.0 0.2 0.9
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 2.0 0.2 2.5
assign (resid   19 and  name HN   )(resid   18 and  name HG#  ) 2.0 0.2 2.5

!G20
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.0 0.2 0.9
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 2.0 0.2 2.4

!D21
assign (resid   21 and  name HN   )(resid   20 and  name HA#  ) 2.0 0.2 2.5
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.0 0.2 3.0

!L22
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 2.0 0.2 1.5
assign (resid   22 and  name HN   )(resid   21 and  name HB#  ) 2.0 0.2 4.0
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.0 0.2 0.9
assign (resid   22 and  name HN   )(resid   23 and  name HG2# ) 2.0 0.2 4.0
assign (resid   22 and  name HB2  )(resid   23 and  name HG2# ) 2.0 0.2 4.5
assign (resid   22 and  name HB3  )(resid   23 and  name HG2# ) 2.0 0.2 4.5

!V23
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 2.0 0.2 1.5
assign (resid   23 and  name HN   )(resid   22 and  name HB2  ) 2.0 0.2 2.0
assign (resid   23 and  name HN   )(resid   22 and  name HB3  ) 2.0 0.2 3.0
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 2.0 0.2 0.9

!E24
assign (resid   24 and  name HN   )(resid   23 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HN   )(resid   23 and  name HB   ) 2.0 0.2 1.5
assign (resid   24 and  name HN   )(resid   23 and  name HG1# ) 2.0 0.2 3.0
assign (resid   24 and  name HN   )(resid   23 and  name HG2# ) 2.0 0.2 4.5
assign (resid   24 and  name HN   )(resid   25 and  name HD#  ) 2.0 0.2 2.5
assign (resid   24 and  name HB#  )(resid   25 and  name HD#  ) 2.0 0.2 5.0

!P25
assign (resid   25 and  name HA   )(resid   24 and  name HA   ) 2.0 0.2 3.0
assign (resid   25 and  name HB#  )(resid   26 and  name HG2# ) 2.0 0.2 5.5

!V26
assign (resid   26 and  name HN   )(resid   25 and  name HA   ) 2.0 0.2 3.0
assign (resid   26 and  name HN   )(resid   25 and  name HB#  ) 2.0 0.2 2.5
assign (resid   26 and  name HN   )(resid   25 and  name HG#  ) 2.0 0.2 2.5
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.0 0.2 0.9

!I27
assign (resid   27 and  name HN   )(resid   26 and  name HA   ) 2.0 0.2 3.0
assign (resid   27 and  name HN   )(resid   26 and  name HB   ) 2.0 0.2 1.5
assign (resid   27 and  name HN   )(resid   26 and  name HG1# ) 2.0 0.2 
3.0 !non stereo
assign (resid   27 and  name HN   )(resid   26 and  name HG2# ) 2.0 0.2 
3.0 !non stereo
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 2.0 0.2 0.9

!E28
assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 2.0 0.2 3.0
assign (resid   28 and  name HN   )(resid   27 and  name HB   ) 2.0 0.2 2.0
assign (resid   28 and  name HN   )(resid   27 and  name HG2# ) 2.0 0.2 3.0
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 2.0 0.2 0.9
assign (resid   28 and  name HA   )(resid   27 and  name HG2# ) 2.0 0.2 4.5
assign (resid   28 and  name HB2  )(resid   27 and  name HG1# ) 2.0 0.2 4.0
assign (resid   28 and  name HB2  )(resid   27 and  name HG2# ) 2.0 0.2 3.2

!T29
assign (resid   29 and  name HN   )(resid   28 and  name HB2  ) 2.0 0.2 3.0
assign (resid   29 and  name HN   )(resid   28 and  name HB3  ) 2.0 0.2 2.0
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.0 0.2 0.9
assign (resid   29 and  name HN   )(resid   30 and  name HB#  ) 2.0 0.2 4.5

!A30
assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 2.0
assign (resid   30 and  name HN   )(resid   29 and  name HB   ) 2.0 0.2 2.0
assign (resid   30 and  name HN   )(resid   29 and  name HG2# ) 2.0 0.2 3.0
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 2.0 0.2 0.9
assign (resid   30 and  name HN   )(resid   31 and  name HB2  ) 2.0 0.2 3.0
assign (resid   30 and  name HB#  )(resid   31 and  name HA   ) 2.0 0.2 4.0

!E31
assign (resid   31 and  name HN   )(resid   30 and  name HA   ) 2.0 0.2 3.0
assign (resid   31 and  name HN   )(resid   30 and  name HB#  ) 2.0 0.2 3.0
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 2.0 0.2 0.9
assign (resid   31 and  name HN   )(resid   32 and  name HG1# ) 2.0 0.2 4.0

!I32
assign (resid   32 and  name HN   )(resid   31 and  name HB2  ) 2.0 0.2 1.5
assign (resid   32 and  name HN   )(resid   31 and  name HB3  ) 2.0 0.2 2.0
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 2.0 0.2 0.9
assign (resid   32 and  name HA   )(resid   31 and  name HA   ) 2.0 0.2 3.0

!D33
assign (resid   33 and  name HN   )(resid   32 and  name HA   ) 2.0 0.2 3.0
assign (resid   33 and  name HN   )(resid   32 and  name HB#  ) 2.0 0.2 4.0
assign (resid   33 and  name HN   )(resid   32 and  name HD1# ) 2.0 0.2 4.5
assign (resid   33 and  name HN   )(resid   32 and  name HG1# ) 2.0 0.2 3.0
assign (resid   33 and  name HN   )(resid   32 and  name HG2# ) 2.0 0.2 3.0
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 2.0 0.2 1.5
assign (resid   33 and  name HB#  )(resid   34 and  name HB3  ) 2.0 0.2 4.0
assign (resid   33 and  name HB#  )(resid   34 and  name HB2  ) 2.0 0.2 4.0

!N34
assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 2.0 0.2 2.0
assign (resid   34 and  name HN   )(resid   33 and  name HB3  ) 2.0 0.2 2.0
assign (resid   34 and  name HN   )(resid   33 and  name HB2  ) 2.0 0.2 3.0

!P35
assign (resid   35 and  name HB#  )(resid   34 and  name HA   ) 2.0 0.2 4.0
assign (resid   35 and  name HD#  )(resid   34 and  name HA   ) 2.0 0.2 3.0

!G36
assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 2.0 0.2 1.5
assign (resid   36 and  name HN   )(resid   35 and  name HG#  ) 2.0 0.2 4.0
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 2.0 0.2 1.5

!K37
assign (resid   37 and  name HN   )(resid   36 and  name HA#  ) 2.0 0.2 4.0
assign (resid   37 and  name HN   )(resid   38 and  name HG#  ) 2.0 0.2 4.0

!E38
assign (resid   38 and  name HN   )(resid   37 and  name HA   ) 2.0 0.2 0.9
assign (resid   38 and  name HN   )(resid   37 and  name HB#  ) 2.0 0.2 2.5
assign (resid   38 and  name HN   )(resid   37 and  name HN   ) 2.0 0.2 3.0
assign (resid   38 and  name HN   )(resid   39 and  name HB   ) 2.0 0.2 3.0
assign (resid   38 and  name HA   )(resid   39 and  name HG1# ) 2.0 0.2 4.0
assign (resid   38 and  name HA   )(resid   39 and  name HB   ) 2.0 0.2 3.0
assign (resid   38 and  name HB#  )(resid   39 and  name HG1# ) 2.0 0.2 5.0
assign (resid   38 and  name HG#  )(resid   39 and  name HD1# ) 2.0 0.2 3.8

!I39
assign (resid   39 and  name HN   )(resid   38 and  name HA   ) 2.0 0.2 1.5
assign (resid   39 and  name HN   )(resid   38 and  name HB#  ) 2.0 0.2 2.5
assign (resid   39 and  name HN   )(resid   38 and  name HG#  ) 2.0 0.2 2.5
assign (resid   39 and  name HN   )(resid   38 and  name HN   ) 2.0 0.2 3.0

!T40
assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 2.0 0.2 1.5
assign (resid   40 and  name HN   )(resid   39 and  name HB   ) 2.0 0.2 3.0
assign (resid   40 and  name HN   )(resid   39 and  name HG1# ) 2.0 0.2 4.0
assign (resid   40 and  name HN   )(resid   39 and  name HG2# ) 2.0 0.2 2.4
assign (resid   40 and  name HN   )(resid   39 and  name HN   ) 2.0 0.2 3.0
assign (resid   40 and  name HN   )(resid   41 and  name HN   ) 2.0 0.2 3.0
assign (resid   40 and  name HA   )(resid   41 and  name HG2# ) 2.0 0.2 4.0

!V41
assign (resid   41 and  name HN   )(resid   40 and  name HA   ) 2.0 0.2 0.9
assign (resid   41 and  name HN   )(resid   40 and  name HB   ) 2.0 0.2 3.0
assign (resid   41 and  name HN   )(resid   40 and  name HG2# ) 2.0 0.2 2.0
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 2.0 0.2 3.0

!E42
assign (resid   42 and  name HN   )(resid   41 and  name HA   ) 2.0 0.2 0.9
assign (resid   42 and  name HN   )(resid   41 and  name HB   ) 2.0 0.2 3.0
assign (resid   42 and  name HN   )(resid   41 and  name HG1# ) 2.0 0.2 3.0
assign (resid   42 and  name HN   )(resid   41 and  name HG2# ) 2.0 0.2 4.5
assign (resid   42 and  name HA   )(resid   41 and  name HG1# ) 2.0 0.2 4.5

!D43
assign (resid   43 and  name HN   )(resid   42 and  name HA   ) 2.0 0.2 0.9
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 2.0 0.2 3.0

!R44
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 2.0 0.2 1.5
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 2.0 0.2 1.5

!R45
assign (resid   45 and  name HN   )(resid   44 and  name HA   ) 2.0 0.2 1.5
assign (resid   45 and  name HN   )(resid   44 and  name HG#  ) 2.0 0.2 2.5
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 2.0 0.2 3.0
assign (resid   45 and  name HN   )(resid   46 and  name HB#  ) 2.0 0.2 4.5
assign (resid   45 and  name HB3  )(resid   44 and  name HG#  ) 2.0 0.2 4.0
assign (resid   45 and  name HB2  )(resid   44 and  name HG#  ) 2.0 0.2 4.0

!A46
assign (resid   46 and  name HN   )(resid   45 and  name HB2  ) 2.0 0.2 1.5
assign (resid   46 and  name HN   )(resid   45 and  name HB3  ) 2.0 0.2 0.9
assign (resid   46 and  name HN   )(resid   45 and  name HG#  ) 2.0 0.2 4.0
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 2.0 0.2 0.9

!Y47
assign (resid   47 and  name HN   )(resid   46 and  name HA   ) 2.0 0.2 3.0
assign (resid   47 and  name HN   )(resid   46 and  name HB#  ) 2.0 0.2 2.4
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 2.0 0.2 3.0
assign (resid   47 and  name HN   )(resid   48 and  name HG2# ) 2.0 0.2 4.5
assign (resid   47 and  name HD#  )(resid   46 and  name HA   ) 2.0 0.2 5.4
assign (resid   47 and  name HD#  )(resid   48 and  name HA   ) 2.0 0.2 5.4

!V48
assign (resid   48 and  name HN   )(resid   47 and  name HA   ) 2.0 0.2 0.9
assign (resid   48 and  name HN   )(resid   47 and  name HB3  ) 2.0 0.2 1.5
assign (resid   48 and  name HN   )(resid   47 and  name HB2  ) 2.0 0.2 1.5
assign (resid   48 and  name HN   )(resid   49 and  name HN   ) 2.0 0.2 3.0
assign (resid   48 and  name HN   )(resid   49 and  name HB#  ) 2.0 0.2 4.0

!R49
assign (resid   49 and  name HN   )(resid   48 and  name HA   ) 2.0 0.2 0.9
assign (resid   49 and  name HN   )(resid   48 and  name HB   ) 2.0 0.2 3.0
assign (resid   49 and  name HN   )(resid   48 and  name HG1# ) 2.0 0.2 3.0
assign (resid   49 and  name HN   )(resid   48 and  name HG2# ) 2.0 0.2 3.5
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 2.0 0.2 3.0
assign (resid   49 and  name HN   )(resid   50 and  name HG1# ) 2.0 0.2 2.5

!I50
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 2.0 0.2 0.9
assign (resid   50 and  name HN   )(resid   49 and  name HB#  ) 2.0 0.2 4.0
assign (resid   50 and  name HN   )(resid   49 and  name HG#  ) 2.0 0.2 4.0
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 2.0 0.2 3.0

!A51
assign (resid   51 and  name HN   )(resid   50 and  name HA   ) 2.0 0.2 0.9
assign (resid   51 and  name HN   )(resid   50 and  name HB   ) 2.0 0.2 3.0
assign (resid   51 and  name HN   )(resid   50 and  name HG2# ) 2.0 0.2 3.5
assign (resid   51 and  name HN   )(resid   50 and  name HD1# ) 2.0 0.2 4.5
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 2.0 0.2 3.0
assign (resid   51 and  name HA   )(resid   50 and  name HG2# ) 2.0 0.2 3.0
assign (resid   51 and  name HA   )(resid   52 and  name HB#  ) 2.0 0.2 4.5

!A52
assign (resid   52 and  name HN   )(resid   51 and  name HA   ) 2.0 0.2 1.5
assign (resid   52 and  name HN   )(resid   51 and  name HB#  ) 2.0 0.2 2.4
assign (resid   52 and  name HA   )(resid   51 and  name HB#  ) 2.0 0.2 4.5

!E53
assign (resid   53 and  name HN   )(resid   52 and  name HA   ) 2.0 0.2 1.5
assign (resid   53 and  name HN   )(resid   52 and  name HB#  ) 2.0 0.2 2.4
assign (resid   53 and  name HN   )(resid   52 and  name HN   ) 2.0 0.2 3.0
assign (resid   53 and  name HB#  )(resid   54 and  name HA#  ) 2.0 0.2 3.3

!G54
assign (resid   54 and  name HN   )(resid   53 and  name HA   ) 2.0 0.2 1.5
assign (resid   54 and  name HN   )(resid   53 and  name HB#  ) 2.0 0.2 2.5
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 2.0 0.2 1.5

!E55
assign (resid   55 and  name HN   )(resid   54 and  name HA#  ) 2.0 0.2 1.9
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 2.0 0.2 3.0
assign (resid   55 and  name HA   )(resid   56 and  name HD1# ) 2.0 0.2 4.0
assign (resid   55 and  name HA   )(resid   56 and  name HD2# ) 2.0 0.2 4.0

!L56
assign (resid   56 and  name HN   )(resid   55 and  name HA   ) 2.0 0.2 0.9
assign (resid   56 and  name HN   )(resid   57 and  name HN   ) 2.0 0.2 3.0
assign (resid   56 and  name HN   )(resid   55 and  name HG#  ) 2.0 0.2 2.5
assign (resid   56 and  name HA   )(resid   57 and  name HA   ) 2.0 0.2 3.0

!I57
assign (resid   57 and  name HN   )(resid   56 and  name HA   ) 2.0 0.2 0.9
assign (resid   57 and  name HN   )(resid   56 and  name HB#  ) 2.0 0.2 4.0
assign (resid   57 and  name HN   )(resid   56 and  name HD1# ) 2.0 0.2 
4.0 !non stereo
assign (resid   57 and  name HN   )(resid   56 and  name HD2# ) 2.0 0.2 
4.0 !non stereo
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 2.0 0.2 3.0
assign (resid   57 and  name HA   )(resid   56 and  name HB#  ) 2.0 0.2 
2.3 !C13
assign (resid   57 and  name HA   )(resid   58 and  name HD#  ) 2.0 0.2 
5.4 !non stereo
assign (resid   57 and  name HG1# )(resid   56 and  name HB#  ) 2.0 0.2 5.0
assign (resid   57 and  name HG2# )(resid   58 and  name HG   ) 2.0 0.2 4.5
assign (resid   57 and  name HG2# )(resid   58 and  name HD#  ) 2.0 0.2 6.4
assign (resid   57 and  name HD1# )(resid   56 and  name HB#  ) 2.0 0.2 5.8
assign (resid   57 and  name HD1# )(resid   58 and  name HD2# ) 2.0 0.2 
5.5 !non stereo

!L58
assign (resid   58 and  name HN   )(resid   57 and  name HA   ) 2.0 0.2 0.9
assign (resid   58 and  name HN   )(resid   57 and  name HD1# ) 2.0 0.2 3.0
assign (resid   58 and  name HN   )(resid   57 and  name HG1# ) 2.0 0.2 4.0
assign (resid   58 and  name HG   )(resid   57 and  name HD1# ) 2.0 0.2 4.0

!T59
assign (resid   59 and  name HN   )(resid   58 and  name HA   ) 2.0 0.2 0.9
assign (resid   59 and  name HN   )(resid   58 and  name HB3  ) 2.0 0.2 1.5
assign (resid   59 and  name HN   )(resid   58 and  name HB2  ) 2.0 0.2 3.0
assign (resid   59 and  name HN   )(resid   58 and  name HD#  ) 2.0 0.2 5.4
assign (resid   59 and  name HN   )(resid   58 and  name HG   ) 2.0 0.2 3.0
assign (resid   59 and  name HN   )(resid   58 and  name HN   ) 2.0 0.2 3.0

!R60
assign (resid   60 and  name HN   )(resid   59 and  name HA   ) 2.0 0.2 1.5
assign (resid   60 and  name HN   )(resid   59 and  name HB   ) 2.0 0.2 2.5
assign (resid   60 and  name HN   )(resid   59 and  name HG2# ) 2.0 0.2 3.0
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 2.0 0.2 1.5
assign (resid   60 and  name HA   )(resid   61 and  name HB#  ) 2.0 0.2 4.0

!K61
assign (resid   61 and  name HN   )(resid   60 and  name HA   ) 2.0 0.2 2.0
assign (resid   61 and  name HN   )(resid   60 and  name HB#  ) 2.0 0.2 3.0
assign (resid   61 and  name HN   )(resid   60 and  name HG#  ) 2.0 0.2 4.0
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 2.0 0.2 0.9
assign (resid   61 and  name HD#  )(resid   62 and  name HG2# ) 2.0 0.2 5.5

!T62
assign (resid   62 and  name HN   )(resid   61 and  name HA   ) 2.0 0.2 2.0
assign (resid   62 and  name HN   )(resid   61 and  name HB#  ) 2.0 0.2 3.5
assign (resid   62 and  name HN   )(resid   61 and  name HG#  ) 2.0 0.2 4.0
assign (resid   62 and  name HN   )(resid   63 and  name HN   ) 2.0 0.2 0.9
assign (resid   62 and  name HB   )(resid   61 and  name HB#  ) 2.0 0.2 4.0

!L63
assign (resid   63 and  name HN   )(resid   62 and  name HA   ) 2.0 0.2 3.0
assign (resid   63 and  name HN   )(resid   62 and  name HB#  ) 2.0 0.2 4.0
assign (resid   63 and  name HN   )(resid   62 and  name HG2# ) 2.0 0.2 3.0
assign (resid   63 and  name HA   )(resid   62 and  name HG2# ) 2.0 0.2 4.0
assign (resid   63 and  name HB#  )(resid   62 and  name HG2# ) 2.0 0.2 3.8

!E64
assign (resid   64 and  name HN   )(resid   63 and  name HA   ) 2.0 0.2 1.5
assign (resid   64 and  name HN   )(resid   63 and  name HB#  ) 2.0 0.2 2.5
assign (resid   64 and  name HN   )(resid   63 and  name HN   ) 2.0 0.2 0.9
assign (resid   64 and  name HN   )(resid   65 and  name HN   ) 2.0 0.2 0.9
assign (resid   64 and  name HA   )(resid   65 and  name HB#  ) 2.0 0.2 4.0

!E65
assign (resid   65 and  name HN   )(resid   64 and  name HA   ) 2.0 0.2 2.0
assign (resid   65 and  name HN   )(resid   64 and  name HG#  ) 2.0 0.2 4.0
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 2.0 0.2 0.9
assign (resid   65 and  name HB#  )(resid   66 and  name HB2  ) 2.0 0.2 4.0
assign (resid   65 and  name HB#  )(resid   66 and  name HB3  ) 2.0 0.2 4.0

!Q66
assign (resid   66 and  name HN   )(resid   65 and  name HA   ) 2.0 0.2 1.5
assign (resid   66 and  name HN   )(resid   65 and  name HB#  ) 2.0 0.2 2.5
assign (resid   66 and  name HN   )(resid   67 and  name HN   ) 2.0 0.2 0.9
assign (resid   66 and  name HN   )(resid   67 and  name HG   ) 2.0 0.2 2.5
assign (resid   66 and  name HG#  )(resid   65 and  name HB#  ) 2.0 0.2 3.3

!L67
assign (resid   67 and  name HN   )(resid   66 and  name HA   ) 2.0 0.2 1.5
assign (resid   67 and  name HN   )(resid   66 and  name HB2  ) 2.0 0.2 1.5
assign (resid   67 and  name HN   )(resid   66 and  name HB3  ) 2.0 0.2 1.5
assign (resid   67 and  name HN   )(resid   66 and  name HG#  ) 2.0 0.2 3.0
assign (resid   67 and  name HN   )(resid   68 and  name HN   ) 2.0 0.2 0.9
assign (resid   67 and  name HG   )(resid   66 and  name HB2  ) 2.0 0.2 3.0
assign (resid   67 and  name HG   )(resid   66 and  name HB3  ) 2.0 0.2 3.0
assign (resid   67 and  name HD#  )(resid   66 and  name HB2  ) 2.0 0.2 5.4
assign (resid   67 and  name HD#  )(resid   66 and  name HB3  ) 2.0 0.2 5.4

!G68
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 2.0 0.2 3.0
assign (resid   68 and  name HN   )(resid   67 and  name HB2  ) 2.0 0.2 2.0
assign (resid   68 and  name HN   )(resid   67 and  name HB3  ) 2.0 0.2 3.0
assign (resid   68 and  name HN   )(resid   67 and  name HG   ) 2.0 0.2 3.0
assign (resid   68 and  name HN   )(resid   69 and  name HN   ) 2.0 0.2 0.9

!R69
assign (resid   69 and  name HN   )(resid   68 and  name HA#  ) 2.0 0.2 2.5
assign (resid   69 and  name HN   )(resid   70 and  name HD#  ) 2.0 0.2 3.0
assign (resid   69 and  name HA   )(resid   68 and  name HA#  ) 2.0 0.2 4.0
assign (resid   69 and  name HA   )(resid   70 and  name HA   ) 2.0 0.2 3.0

!P70
assign (resid   70 and  name HD#  )(resid   69 and  name HA   ) 2.0 0.2 1.7
assign (resid   70 and  name HD#  )(resid   69 and  name HB#  ) 2.0 0.2 3.3

!F71
assign (resid   71 and  name HN   )(resid   70 and  name HA   ) 2.0 0.2 1.5
assign (resid   71 and  name HN   )(resid   70 and  name HG#  ) 2.0 0.2 4.0
assign (resid   71 and  name HN   )(resid   70 and  name HB#  ) 2.0 0.2 4.0
assign (resid   71 and  name HB#  )(resid   70 and  name HD#  ) 2.0 0.2 5.0
assign (resid   71 and  name HD#  )(resid   70 and  name HD#  ) 2.0 0.2 6.4
assign (resid   71 and  name HE#  )(resid   70 and  name HD#  ) 2.0 0.2 6.4
assign (resid   71 and  name HE#  )(resid   72 and  name HB2  ) 2.0 0.2 5.4

!N72
assign (resid   72 and  name HN   )(resid   71 and  name HA   ) 2.0 0.2 1.5
assign (resid   72 and  name HN   )(resid   71 and  name HB#  ) 2.0 0.2 4.0

!M73
assign (resid   73 and  name HN   )(resid   72 and  name HA   ) 2.0 0.2 1.5
assign (resid   73 and  name HN   )(resid   72 and  name HB3  ) 2.0 0.2 3.0
assign (resid   73 and  name HN   )(resid   72 and  name HB2  ) 2.0 0.2 3.0
assign (resid   73 and  name HN   )(resid   74 and  name HN   ) 2.0 0.2 1.5
assign (resid   73 and  name HB#  )(resid   74 and  name HA   ) 2.0 0.2 4.0

!Q74
assign (resid   74 and  name HN   )(resid   73 and  name HA   ) 2.0 0.2 3.0
assign (resid   74 and  name HN   )(resid   73 and  name HB#  ) 2.0 0.2 2.5
!E75
assign (resid   75 and  name HN   )(resid   74 and  name HN   ) 2.0 0.2 1.5
assign (resid   75 and  name HN   )(resid   74 and  name HA   ) 2.0 0.2 1.5
assign (resid   75 and  name HN   )(resid   74 and  name HB#  ) 2.0 0.2 2.5
assign (resid   75 and  name HA   )(resid   74 and  name HB#  ) 2.0 0.2 4.0
assign (resid   75 and  name HN   )(resid   76 and  name HN   ) 2.0 0.2 0.9
assign (resid   75 and  name HG#  )(resid   76 and  name HA   ) 2.0 0.2 4.0
assign (resid   75 and  name HG#  )(resid   76 and  name HN   ) 2.0 0.2 4.0

!L76
assign (resid   76 and  name HN   )(resid   75 and  name HA   ) 2.0 0.2 3.0
assign (resid   76 and  name HN   )(resid   75 and  name HB#  ) 2.0 0.2 2.5
assign (resid   76 and  name HN   )(resid   75 and  name HG#  ) 2.0 0.2 2.5
assign (resid   76 and  name HN   )(resid   77 and  name HN   ) 2.0 0.2 1.5
assign (resid   76 and  name HD#  )(resid   77 and  name HA   ) 2.0 0.2 5.4

!E77
assign (resid   77 and  name HN   )(resid   76 and  name HA   ) 2.0 0.2 3.0
assign (resid   77 and  name HN   )(resid   76 and  name HB3  ) 2.0 0.2 3.0
assign (resid   77 and  name HN   )(resid   76 and  name HB2  ) 2.0 0.2 3.0
assign (resid   77 and  name HN   )(resid   76 and  name HD1# ) 2.0 0.2 3.5
assign (resid   77 and  name HN   )(resid   76 and  name HD2# ) 2.0 0.2 3.5
assign (resid   77 and  name HN   )(resid   78 and  name HN   ) 2.0 0.2 0.9
assign (resid   77 and  name HB#  )(resid   78 and  name HB   ) 2.0 0.2 4.0
assign (resid   77 and  name HG#  )(resid   78 and  name HB   ) 2.0 0.2 4.0

!I78
assign (resid   78 and  name HN   )(resid   77 and  name HA   ) 2.0 0.2 3.0
assign (resid   78 and  name HN   )(resid   77 and  name HB#  ) 2.0 0.2 1.9
assign (resid   78 and  name HN   )(resid   77 and  name HG#  ) 2.0 0.2 2.5
assign (resid   78 and  name HN   )(resid   79 and  name HN   ) 2.0 0.2 1.5

!N79
assign (resid   79 and  name HN   )(resid   78 and  name HA   ) 2.0 0.2 3.0
assign (resid   79 and  name HN   )(resid   78 and  name HB   ) 2.0 0.2 3.0
assign (resid   79 and  name HN   )(resid   78 and  name HG2# ) 2.0 0.2 4.5

!L80
assign (resid   80 and  name HN   )(resid   79 and  name HA   ) 2.0 0.2 1.5

!A81
assign (resid   81 and  name HN   )(resid   80 and  name HA   ) 2.0 0.2 0.9
assign (resid   81 and  name HN   )(resid   80 and  name HB#  ) 2.0 0.2 4.0
assign (resid   81 and  name HN   )(resid   80 and  name HD#  ) 2.0 0.2 5.0
assign (resid   81 and  name HN   )(resid   80 and  name HG   ) 2.0 0.2 3.0
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 2.0 0.2 1.5

!S82
assign (resid   82 and  name HN   )(resid   81 and  name HB#  ) 2.0 0.2 3.0
assign (resid   82 and  name HN   )(resid   83 and  name HN   ) 2.0 0.2 3.0
assign (resid   82 and  name HA   )(resid   83 and  name HB#  ) 2.0 0.2 4.0

!F83
assign (resid   83 and  name HN   )(resid   82 and  name HA   ) 2.0 0.2 1.5
assign (resid   83 and  name HN   )(resid   82 and  name HB#  ) 2.0 0.2 2.5
assign (resid   83 and  name HD#  )(resid   82 and  name HA   ) 2.0 0.2 6.4
assign (resid   83 and  name HD#  )(resid   84 and  name HN   ) 2.0 0.2 6.4

!A84
assign (resid   84 and  name HN   )(resid   83 and  name HA   ) 2.0 0.2 0.9
assign (resid   84 and  name HN   )(resid   83 and  name HB#  ) 2.0 0.2 4.5
assign (resid   84 and  name HN   )(resid   83 and  name HN   ) 2.0 0.2 3.0
assign (resid   84 and  name HA   )(resid   83 and  name HB#  ) 2.0 0.2 4.0

!G85
assign (resid   85 and  name HN   )(resid   84 and  name HA   ) 2.0 0.2 1.5
assign (resid   85 and  name HN   )(resid   84 and  name HB#  ) 2.0 0.2 3.0

!Q86
assign (resid   86 and  name HN   )(resid   85 and  name HA#  ) 2.0 0.2 1.9
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 2.0 0.2 3.0

!I87
assign (resid   87 and  name HN   )(resid   86 and  name HA   ) 2.0 0.2 0.9
assign (resid   87 and  name HN   )(resid   86 and  name HG#  ) 2.0 0.2 2.5
assign (resid   87 and  name HN   )(resid   86 and  name HE2# ) 2.0 0.2 4.0
assign (resid   87 and  name HA   )(resid   88 and  name HB#  ) 2.0 0.2 4.0
assign (resid   87 and  name HA   )(resid   88 and  name HA   ) 2.0 0.2 3.0
assign (resid   87 and  name HA   )(resid   88 and  name HG#  ) 2.0 0.2 4.0

!Q88
assign (resid   88 and  name HN   )(resid   87 and  name HA   ) 2.0 0.2 0.9
assign (resid   88 and  name HN   )(resid   87 and  name HB   ) 2.0 0.2 3.0
assign (resid   88 and  name HN   )(resid   87 and  name HG1# ) 2.0 0.2 4.0
assign (resid   88 and  name HN   )(resid   87 and  name HG2# ) 2.0 0.2 4.5
assign (resid   88 and  name HN   )(resid   87 and  name HN   ) 2.0 0.2 3.0
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 2.0 0.2 3.0

!A89
assign (resid   89 and  name HN   )(resid   88 and  name HA   ) 2.0 0.2 0.9
assign (resid   89 and  name HN   )(resid   88 and  name HB#  ) 2.0 0.2 4.0
assign (resid   89 and  name HN   )(resid   88 and  name HG#  ) 2.0 0.2 4.0
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 2.0 0.2 3.0
assign (resid   89 and  name HA   )(resid   88 and  name HB#  ) 2.0 0.2 3.3
assign (resid   89 and  name HA   )(resid   90 and  name HB#  ) 2.0 0.2 4.0

!D90
assign (resid   90 and  name HN   )(resid   89 and  name HA   ) 2.0 0.2 0.9
assign (resid   90 and  name HN   )(resid   89 and  name HB#  ) 2.0 0.2 4.0
assign (resid   90 and  name HN   )(resid   91 and  name HG#  ) 2.0 0.2 4.0

!E91
assign (resid   91 and  name HN   )(resid   90 and  name HA   ) 2.0 0.2 1.5
assign (resid   91 and  name HN   )(resid   90 and  name HB#  ) 2.0 0.2 1.9
assign (resid   91 and  name HN   )(resid   90 and  name HN   ) 2.0 0.2 3.0
assign (resid   91 and  name HN   )(resid   92 and  name HN   ) 2.0 0.2 1.5

!D92
assign (resid   92 and  name HN   )(resid   91 and  name HA   ) 2.0 0.2 2.0
assign (resid   92 and  name HN   )(resid   91 and  name HB#  ) 2.0 0.2 2.5
assign (resid   92 and  name HN   )(resid   91 and  name HG#  ) 2.0 0.2 2.5
assign (resid   92 and  name HN   )(resid   93 and  name HN   ) 2.0 0.2 0.9
assign (resid   92 and  name HA   )(resid   93 and  name HG#  ) 2.0 0.2 4.0

!Q93
assign (resid   93 and  name HN   )(resid   92 and  name HA   ) 2.0 0.2 3.0
assign (resid   93 and  name HN   )(resid   92 and  name HB#  ) 2.0 0.2 2.5
assign (resid   93 and  name HA   )(resid   94 and  name HG2# ) 2.0 0.2 4.5

!I94
assign (resid   94 and  name HN   )(resid   93 and  name HA   ) 2.0 0.2 1.5
assign (resid   94 and  name HN   )(resid   93 and  name HB#  ) 2.0 0.2 3.0
assign (resid   94 and  name HN   )(resid   93 and  name HN   ) 2.0 0.2 3.0
assign (resid   94 and  name HN   )(resid   93 and  name HG#  ) 2.0 0.2 3.0

!R95
assign (resid   95 and  name HN   )(resid   94 and  name HA   ) 2.0 0.2 0.9
assign (resid   95 and  name HN   )(resid   94 and  name HB   ) 2.0 0.2 3.0
assign (resid   95 and  name HN   )(resid   94 and  name HD1# ) 2.0 0.2 4.5
assign (resid   95 and  name HN   )(resid   94 and  name HG2# ) 2.0 0.2 4.5
assign (resid   95 and  name HN   )(resid   94 and  name HN   ) 2.0 0.2 3.0
assign (resid   95 and  name HN   )(resid   96 and  name HN   ) 2.0 0.2 3.0
assign (resid   95 and  name HA   )(resid   96 and  name HB2  ) 2.0 0.2 3.0
assign (resid   95 and  name HA   )(resid   96 and  name HA   ) 2.0 0.2 3.0

!F96
assign (resid   96 and  name HN   )(resid   95 and  name HA   ) 2.0 0.2 0.9
assign (resid   96 and  name HN   )(resid   95 and  name HB#  ) 2.0 0.2 4.0
assign (resid   96 and  name HN   )(resid   95 and  name HG#  ) 2.0 0.2 4.0
assign (resid   96 and  name HN   )(resid   97 and  name HN   ) 2.0 0.2 3.0
assign (resid   96 and  name HD#  )(resid   95 and  name HA   ) 2.0 0.2 5.4

!Y97
assign (resid   97 and  name HN   )(resid   96 and  name HA   ) 2.0 0.2 0.9
assign (resid   97 and  name HN   )(resid   96 and  name HB3  ) 2.0 0.2 2.0
assign (resid   97 and  name HN   )(resid   96 and  name HB2  ) 2.0 0.2 3.0
assign (resid   97 and  name HN   )(resid   98 and  name HN   ) 2.0 0.2 3.0
assign (resid   97 and  name HB#  )(resid   96 and  name HA   ) 2.0 0.2 4.0
assign (resid   97 and  name HD#  )(resid   96 and  name HA   ) 2.0 0.2 5.4
assign (resid   97 and  name HD#  )(resid   96 and  name HB#  ) 2.0 0.2 6.4
assign (resid   97 and  name HD#  )(resid   98 and  name HA   ) 2.0 0.2 5.4
assign (resid   97 and  name HE#  )(resid   96 and  name HA   ) 2.0 0.2 5.4

!F98
assign (resid   98 and  name HN   )(resid   97 and  name HA   ) 2.0 0.2 1.5
assign (resid   98 and  name HN   )(resid   97 and  name HD#  ) 2.0 0.2 5.4
assign (resid   98 and  name HN   )(resid   97 and  name HE#  ) 2.0 0.2 5.4
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 2.0 0.2 2.0

!D99
assign (resid   99 and  name HN   )(resid   98 and  name HA   ) 2.0 0.2 1.5
assign (resid   99 and  name HN   )(resid   98 and  name HB#  ) 2.0 0.2 4.0
assign (resid   99 and  name HN   )(resid  100 and  name HN   ) 2.0 0.2 3.0

!K100
assign (resid  100 and  name HN   )(resid   99 and  name HA   ) 2.0 0.2 1.5
assign (resid  100 and  name HA   )(resid  101 and  name HA   ) 2.0 0.2 3.0

!T101
assign (resid  101 and  name HN   )(resid  100 and  name HB#  ) 2.0 0.2 1.9
assign (resid  101 and  name HN   )(resid  102 and  name HN   ) 2.0 0.2 3.0
assign (resid  101 and  name HB   )(resid  100 and  name HB#  ) 2.0 0.2 2.3
assign (resid  101 and  name HG2# )(resid  100 and  name HB#  ) 2.0 0.2 3.2

!M102

!!medium range
!S1
!T2
!L3
!A4
!D5
!Q6
!A7
!L8
!H9
!N10
!N11
!N12
!V13
!G14
!P15
!I16
!I17
!R18
!A19
assign (resid   19 and  name HA   )(resid   23 and  name HG1# ) 2.0 0.2 4.5
assign (resid   19 and  name HA   )(resid   23 and  name HG2# ) 2.0 0.2 3.0

!G20
assign (resid   20 and  name HN   )(resid   23 and  name HG1# ) 2.0 0.2 4.5
assign (resid   20 and  name HN   )(resid   23 and  name HG2# ) 2.0 0.2 3.0

!D21

!L22
assign (resid   22 and  name HA   )(resid   25 and  name HG#  ) 2.0 0.2 4.0
assign (resid   22 and  name HD1# )(resid   25 and  name HG#  ) 2.0 0.2 3.8
assign (resid   22 and  name HD2# )(resid   25 and  name HG#  ) 2.0 0.2 3.8

!V23
assign (resid   23 and  name HA   )(resid   26 and  name HB   ) 2.0 0.2 3.0
assign (resid   23 and  name HG1# )(resid   27 and  name HG1# ) 2.0 0.2 5.5
assign (resid   23 and  name HG2# )(resid   27 and  name HG1# ) 2.0 0.2 5.5
assign (resid   23 and  name HG1# )(resid   27 and  name HD1# ) 2.0 0.2 6.0
assign (resid   23 and  name HG2# )(resid   27 and  name HD1# ) 2.0 0.2 6.0

!E24
assign (resid   24 and  name HN   )(resid   22 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   27 and  name HB   ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   27 and  name HG2# ) 2.0 0.2 2.8

!P25
assign (resid   25 and  name HB#  )(resid   22 and  name HA   ) 2.0 0.2 4.0
assign (resid   25 and  name HD#  )(resid   22 and  name HA   ) 2.0 0.2 2.5
assign (resid   25 and  name HB#  )(resid   22 and  name HD#  ) 2.0 0.2 
4.9 !non stereo
assign (resid   25 and  name HG#  )(resid   22 and  name HB2  ) 2.0 0.2 4.0
assign (resid   25 and  name HG#  )(resid   22 and  name HB3  ) 2.0 0.2 3.0
assign (resid   25 and  name HA   )(resid   28 and  name HB2  ) 2.0 0.2 3.0
assign (resid   25 and  name HA   )(resid   28 and  name HB3  ) 2.0 0.2 2.0

!V26
assign (resid   26 and  name HN   )(resid   23 and  name HA   ) 2.0 0.2 1.5
assign (resid   26 and  name HA   )(resid   29 and  name HB   ) 2.0 0.2 3.0
assign (resid   26 and  name HG2# )(resid   22 and  name HB2  ) 2.0 0.2 4.0
assign (resid   26 and  name HG2# )(resid   22 and  name HB3  ) 2.0 0.2 3.0

!I27
assign (resid   27 and  name HN   )(resid   24 and  name HA   ) 2.0 0.2 1.5
assign (resid   27 and  name HA   )(resid   30 and  name HB#  ) 2.0 0.2 4.0

!E28
assign (resid   28 and  name HN   )(resid   24 and  name HA   ) 2.0 0.2 3.0
assign (resid   28 and  name HN   )(resid   25 and  name HA   ) 2.0 0.2 1.5
assign (resid   28 and  name HA   )(resid   31 and  name HB2  ) 2.0 0.2 2.0
assign (resid   28 and  name HA   )(resid   31 and  name HB3  ) 2.0 0.2 3.0

!T29
assign (resid   29 and  name HN   )(resid   25 and  name HA   ) 2.0 0.2 3.0
assign (resid   29 and  name HN   )(resid   26 and  name HA   ) 2.0 0.2 1.5
assign (resid   29 and  name HN   )(resid   26 and  name HG1# ) 2.0 0.2 4.5
assign (resid   29 and  name HN   )(resid   26 and  name HG2# ) 2.0 0.2 4.5
assign (resid   29 and  name HN   )(resid   31 and  name HN   ) 2.0 0.2 3.0
assign (resid   29 and  name HA   )(resid   32 and  name HB   ) 2.0 0.2 3.0

!A30
assign (resid   30 and  name HN   )(resid   27 and  name HN   ) 2.0 0.2 3.0
assign (resid   30 and  name HN   )(resid   27 and  name HA   ) 2.0 0.2 1.5
assign (resid   30 and  name HN   )(resid   26 and  name HG1# ) 2.0 0.2 3.0
assign (resid   30 and  name HN   )(resid   32 and  name HG2# ) 2.0 0.2 4.0
assign (resid   30 and  name HN   )(resid   27 and  name HG2# ) 2.0 0.2 4.5
assign (resid   30 and  name HA   )(resid   26 and  name HG1# ) 2.0 0.2 4.5
assign (resid   30 and  name HB#  )(resid   26 and  name HG1# ) 2.0 0.2 5.5
assign (resid   30 and  name HB#  )(resid   26 and  name HG2# ) 2.0 0.2 5.5
assign (resid   30 and  name HB#  )(resid   27 and  name HG1# ) 2.0 0.2 3.7
assign (resid   30 and  name HB#  )(resid   27 and  name HD1# ) 2.0 0.2 3.7

!E31
assign (resid   31 and  name HN   )(resid   28 and  name HA   ) 2.0 0.2 1.5
assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 2.0 0.2 3.0
assign (resid   31 and  name HG#  )(resid   28 and  name HA   ) 2.0 0.2 2.3

!I32
assign (resid   32 and  name HN   )(resid   28 and  name HA   ) 2.0 0.2 3.0
assign (resid   32 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 1.5
assign (resid   32 and  name HN   )(resid   29 and  name HG2# ) 2.0 0.2 4.5
assign (resid   32 and  name HB   )(resid   29 and  name HG2# ) 2.0 0.2 4.5
assign (resid   32 and  name HD1# )(resid   29 and  name HG2# ) 2.0 0.2 4.5

!D33
assign (resid   33 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 3.0
assign (resid   33 and  name HN   )(resid   29 and  name HG2# ) 2.0 0.2 4.5
assign (resid   33 and  name HN   )(resid   30 and  name HA   ) 2.0 0.2 1.5
assign (resid   33 and  name HN   )(resid   31 and  name HA   ) 2.0 0.2 3.0

!N34
assign (resid   34 and  name HN   )(resid   35 and  name HD#  ) 2.0 0.2 4.0
assign (resid   34 and  name HN   )(resid   32 and  name HG2# ) 2.0 0.2 4.5

!P35
!G36
assign (resid   36 and  name HA#  )(resid   38 and  name HB#  ) 2.0 0.2 
5.0 !c13
assign (resid   36 and  name HA#  )(resid   38 and  name HN   ) 2.0 0.2 4.0

!K37
assign (resid   37 and  name HN   )(resid   35 and  name HA   ) 2.0 0.2 3.0
assign (resid   37 and  name HD#  )(resid   35 and  name HG#  ) 2.0 0.2 5.0

!E38
!I39
!T40
!V41
!E42

!D43
assign (resid   43 and  name HB3  )(resid   48 and  name HG1# ) 2.0 0.2 4.5

!R44
assign (resid   44 and  name HN   )(resid   48 and  name HG1# ) 2.0 0.2 4.5
assign (resid   44 and  name HN   )(resid   48 and  name HG2# ) 2.0 0.2 4.5

!R45
assign (resid   45 and  name HN   )(resid   47 and  name HN   ) 2.0 0.2 3.0
assign (resid   45 and  name HN   )(resid   47 and  name HB2  ) 2.0 0.2 3.0

!A46
!Y47
assign (resid   47 and  name HN   )(resid   44 and  name HB2  ) 2.0 0.2 3.0
assign (resid   47 and  name HN   )(resid   44 and  name HG#  ) 2.0 0.2 4.0
assign (resid   47 and  name HD#  )(resid   44 and  name HG#  ) 2.0 0.2 6.4
assign (resid   47 and  name HE#  )(resid   44 and  name HG#  ) 2.0 0.2 6.4

!V48

!R49
!I50
assign (resid   50 and  name HN   )(resid   48 and  name HG1# ) 2.0 0.2 4.5
assign (resid   50 and  name HB   )(resid   48 and  name HG1# ) 2.0 0.2 4.5
assign (resid   50 and  name HG1# )(resid   48 and  name HG1# ) 2.0 0.2 6.0

!A51
!A52

!E53
!G54
assign (resid   54 and  name HN   )(resid   56 and  name HD#  ) 2.0 0.2 5.4

!E55
!L56
!I57

!L58
!T59
!R60
assign (resid   60 and  name HA   )(resid   63 and  name HB#  ) 2.0 0.2 4.0
assign (resid   60 and  name HB#  )(resid   63 and  name HB#  ) 2.0 0.2 5.0
assign (resid   60 and  name HB#  )(resid   64 and  name HB2  ) 2.0 0.2 3.0
assign (resid   60 and  name HD#  )(resid   62 and  name HG2# ) 2.0 0.2 5.5

!K61
assign (resid   61 and  name HN   )(resid   59 and  name HA   ) 2.0 0.2 3.0
assign (resid   61 and  name HN   )(resid   59 and  name HB   ) 2.0 0.2 2.5
assign (resid   61 and  name HA   )(resid   64 and  name HB2  ) 2.0 0.2 2.0
assign (resid   61 and  name HA   )(resid   64 and  name HB3  ) 2.0 0.2 2.0
assign (resid   61 and  name HB#  )(resid   64 and  name HB2  ) 2.0 0.2 3.0
assign (resid   61 and  name HB#  )(resid   64 and  name HB3  ) 2.0 0.2 4.0

!T62
assign (resid   62 and  name HN   )(resid   60 and  name HA   ) 2.0 0.2 3.0
assign (resid   62 and  name HA   )(resid   65 and  name HB#  ) 2.0 0.2 4.0

!L63
assign (resid   63 and  name HN   )(resid   60 and  name HA   ) 2.0 0.2 2.0
assign (resid   63 and  name HN   )(resid   60 and  name HG#  ) 2.0 0.2 4.0
assign (resid   63 and  name HA   )(resid   66 and  name HB2  ) 2.0 0.2 2.0
assign (resid   63 and  name HA   )(resid   66 and  name HB3  ) 2.0 0.2 2.0
assign (resid   63 and  name HD#  )(resid   67 and  name HD#  ) 2.0 0.2 7.8

!E64
assign (resid   64 and  name HN   )(resid   61 and  name HA   ) 2.0 0.2 1.5
assign (resid   64 and  name HN   )(resid   60 and  name HA   ) 2.0 0.2 3.0
assign (resid   64 and  name HN   )(resid   66 and  name HN   ) 2.0 0.2 3.0
assign (resid   64 and  name HA   )(resid   67 and  name HB2  ) 2.0 0.2 2.0
assign (resid   64 and  name HA   )(resid   67 and  name HB3  ) 2.0 0.2 3.0
assign (resid   64 and  name HA   )(resid   67 and  name HD#  ) 2.0 0.2 5.4
assign (resid   64 and  name HG#  )(resid   67 and  name HD#  ) 2.0 0.2 6.4

!E65
assign (resid   65 and  name HN   )(resid   62 and  name HA   ) 2.0 0.2 1.5
assign (resid   65 and  name HN   )(resid   61 and  name HA   ) 2.0 0.2 3.0
assign (resid   65 and  name HN   )(resid   63 and  name HA   ) 2.0 0.2 3.0

!Q66
assign (resid   66 and  name HN   )(resid   62 and  name HA   ) 2.0 0.2 3.0
assign (resid   66 and  name HN   )(resid   63 and  name HA   ) 2.0 0.2 1.5
assign (resid   66 and  name HN   )(resid   64 and  name HA   ) 2.0 0.2 3.0
assign (resid   66 and  name HN   )(resid   68 and  name HN   ) 2.0 0.2 3.0
assign (resid   66 and  name HA   )(resid   69 and  name HB#  ) 2.0 0.2 
4.0 !c13
assign (resid   66 and  name HB2  )(resid   69 and  name HG#  ) 2.0 0.2 4.0
assign (resid   66 and  name HB3  )(resid   69 and  name HG#  ) 2.0 0.2 4.0
assign (resid   66 and  name HG#  )(resid   62 and  name HG2# ) 2.0 0.2 5.5

!L67
assign (resid   67 and  name HN   )(resid   63 and  name HA   ) 2.0 0.2 3.0
assign (resid   67 and  name HN   )(resid   64 and  name HA   ) 2.0 0.2 1.5
assign (resid   67 and  name HN   )(resid   65 and  name HA   ) 2.0 0.2 3.0
assign (resid   67 and  name HN   )(resid   65 and  name HN   ) 2.0 0.2 3.0
assign (resid   67 and  name HN   )(resid   69 and  name HN   ) 2.0 0.2 3.0

!G68

!R69
assign (resid   69 and  name HN   )(resid   67 and  name HA   ) 2.0 0.2 3.0
assign (resid   69 and  name HN   )(resid   67 and  name HN   ) 2.0 0.2 3.0
assign (resid   69 and  name HG#  )(resid   66 and  name HB2  ) 2.0 0.2 2.8
assign (resid   69 and  name HG#  )(resid   66 and  name HB3  ) 2.0 0.2 2.3

!P70

!F71
assign (resid   71 and  name HN   )(resid   69 and  name HB#  ) 2.0 0.2 4.0
assign (resid   71 and  name HD#  )(resid   69 and  name HG#  ) 2.0 0.2 6.4
assign (resid   71 and  name HD#  )(resid   73 and  name HA   ) 2.0 0.2 5.4
assign (resid   71 and  name HE#  )(resid   67 and  name HD#  ) 2.0 0.2 7.8
assign (resid   71 and  name HE#  )(resid   69 and  name HG#  ) 2.0 0.2 6.4
assign (resid   71 and  name HE#  )(resid   73 and  name HA   ) 2.0 0.2 5.4
assign (resid   71 and  name HE#  )(resid   75 and  name HB#  ) 2.0 0.2 6.4
assign (resid   71 and  name HE#  )(resid   75 and  name HG#  ) 2.0 0.2 6.4

!N72
assign (resid   72 and  name HN   )(resid   75 and  name HB#  ) 2.0 0.2 4.0

!M73
assign (resid   73 and  name HN   )(resid   75 and  name HN   ) 2.0 0.2 3.0
assign (resid   73 and  name HA   )(resid   75 and  name HB#  ) 2.0 0.2 4.0
assign (resid   73 and  name HA   )(resid   76 and  name HD#  ) 2.0 0.2 
5.4 !non stereo

!Q74
assign (resid   74 and  name HN   )(resid   72 and  name HB3  ) 2.0 0.2 3.0
assign (resid   74 and  name HA   )(resid   77 and  name HB#  ) 2.0 0.2 4.0

!E75
assign (resid   75 and  name HN   )(resid   73 and  name HG#  ) 2.0 0.2 4.0
assign (resid   75 and  name HN   )(resid   77 and  name HN   ) 2.0 0.2 2.5
assign (resid   75 and  name HN   )(resid   78 and  name HG1# ) 2.0 0.2 4.0
assign (resid   75 and  name HN   )(resid   78 and  name HG2# ) 2.0 0.2 4.5
assign (resid   75 and  name HA   )(resid   78 and  name HD1# ) 2.0 0.2 3.8
assign (resid   75 and  name HA   )(resid   78 and  name HG1# ) 2.0 0.2 4.0
assign (resid   75 and  name HA   )(resid   78 and  name HG2# ) 2.0 0.2 4.5
assign (resid   75 and  name HB#  )(resid   78 and  name HG2# ) 2.0 0.2 5.5
assign (resid   75 and  name HG#  )(resid   72 and  name HB3  ) 2.0 0.2 4.0
assign (resid   75 and  name HG#  )(resid   72 and  name HB2  ) 2.0 0.2 4.0
assign (resid   75 and  name HG#  )(resid   78 and  name HG2# ) 2.0 0.2 5.5

!L76
assign (resid   76 and  name HN   )(resid   73 and  name HA   ) 2.0 0.2 1.5
assign (resid   76 and  name HN   )(resid   72 and  name HD2# ) 2.0 0.2 4.0
assign (resid   76 and  name HD#  )(resid   74 and  name HB#  ) 2.0 0.2 6.4

!E77
assign (resid   77 and  name HN   )(resid   73 and  name HA   ) 2.0 0.2 3.0
assign (resid   77 and  name HN   )(resid   74 and  name HA   ) 2.0 0.2 1.5
assign (resid   77 and  name HN   )(resid   79 and  name HN   ) 2.0 0.2 3.0
assign (resid   77 and  name HA   )(resid   80 and  name HB#  ) 2.0 0.2 4.0
assign (resid   77 and  name HA   )(resid   80 and  name HG   ) 2.0 0.2 3.0
assign (resid   77 and  name HB#  )(resid   74 and  name HG#  ) 2.0 0.2 5.0
assign (resid   77 and  name HB#  )(resid   80 and  name HD1# ) 2.0 0.2 5.0
assign (resid   77 and  name HB#  )(resid   80 and  name HD2# ) 2.0 0.2 5.0

!I78
assign (resid   78 and  name HA   )(resid   80 and  name HB#  ) 2.0 0.2 4.0
assign (resid   78 and  name HB   )(resid   80 and  name HD1# ) 2.0 0.2 
5.0 !non stereo
assign (resid   78 and  name HB   )(resid   80 and  name HD2# ) 2.0 0.2 
5.0 !non stereo

!N79
assign (resid   79 and  name HD2# )(resid   78 and  name HG2# ) 2.0 0.2 4.0

!L80
assign (resid   80 and  name HN   )(resid   78 and  name HA   ) 2.0 0.2 3.0

!A81

!S82
assign (resid   82 and  name HN   )(resid   80 and  name HA   ) 2.0 0.2 3.0

!F83
assign (resid   83 and  name HD#  )(resid   85 and  name HA#  ) 2.0 0.2 6.4
assign (resid   83 and  name HD#  )(resid   86 and  name HA   ) 2.0 0.2 5.4
assign (resid   83 and  name HD#  )(resid   87 and  name HD1# ) 2.0 0.2 6.9
assign (resid   83 and  name HD#  )(resid   87 and  name HG2# ) 2.0 0.2 6.9
assign (resid   83 and  name HE#  )(resid   86 and  name HA   ) 2.0 0.2 5.4
assign (resid   83 and  name HE#  )(resid   87 and  name HD1# ) 2.0 0.2 6.9
assign (resid   83 and  name HE#  )(resid   87 and  name HG1# ) 2.0 0.2 6.4
assign (resid   83 and  name HE#  )(resid   87 and  name HG2# ) 2.0 0.2 6.9
assign (resid   83 and  name HZ   )(resid   87 and  name HD1# ) 2.0 0.2 5.5
assign (resid   83 and  name HZ   )(resid   87 and  name HG2# ) 2.0 0.2 5.5

!A84
!G85
!Q86
!I87
!Q88

!A89
assign (resid   89 and  name HA   )(resid   93 and  name HB#  ) 2.0 0.2 4.0
assign (resid   89 and  name HB#  )(resid   94 and  name HD1# ) 2.0 0.2 5.5
assign (resid   89 and  name HA   )(resid   93 and  name HE2# ) 2.0 0.2 4.5

!D90
assign (resid   90 and  name HN   )(resid   92 and  name HN   ) 2.0 0.2 3.0
assign (resid   90 and  name HN   )(resid   93 and  name HG#  ) 2.0 0.2 4.0
assign (resid   90 and  name HN   )(resid   93 and  name HN   ) 2.0 0.2 1.5
assign (resid   90 and  name HN   )(resid   94 and  name HA   ) 2.0 0.2 1.5
assign (resid   90 and  name HN   )(resid   94 and  name HB   ) 2.0 0.2 3.0
assign (resid   90 and  name HN   )(resid   94 and  name HG2# ) 2.0 0.2 4.5

!E91
assign (resid   91 and  name HN   )(resid   93 and  name HN   ) 2.0 0.2 3.0
assign (resid   91 and  name HG#  )(resid   93 and  name HB#  ) 2.0 0.2 5.0

!D92
assign (resid   92 and  name HN   )(resid   90 and  name HA   ) 2.0 0.2 3.0
assign (resid   92 and  name HN   )(resid   90 and  name HB#  ) 2.0 0.2 2.5

!Q93
assign (resid   93 and  name HN   )(resid   89 and  name HB#  ) 2.0 0.2 4.5
assign (resid   93 and  name HN   )(resid   90 and  name HB#  ) 2.0 0.2 3.0
assign (resid   93 and  name HG#  )(resid   89 and  name HA   ) 2.0 0.2 4.0

!I94

!R95

!F96

!Y97
assign (resid   97 and  name HD#  )(resid   99 and  name HB3  ) 2.0 0.2 5.4
assign (resid   97 and  name HD#  )(resid   99 and  name HB2  ) 2.0 0.2 5.4
assign (resid   97 and  name HE#  )(resid   99 and  name HB2  ) 2.0 0.2 5.4

!F98
assign (resid   98 and  name HD#  )(resid  100 and  name HB#  ) 2.0 0.2 6.4
assign (resid   98 and  name HE#  )(resid  100 and  name HG#  ) 2.0 0.2 6.4
!D99
!K100
!T101
!M102

!!long range
!S1
!T2
!L3
!A4
!D5
!Q6
!A7
!L8
assign (resid    8 and  name HN   )(resid  100 and  name HD#  ) 2.0 0.2 4.0
assign (resid    8 and  name HA   )(resid  100 and  name HG#  ) 2.0 0.2 4.0

!H9
!N10
assign (resid   10 and  name HA   )(resid   99 and  name HB2  ) 2.0 0.2 3.0

!N11
!N12
assign (resid   12 and  name HA   )(resid   98 and  name HB#  ) 2.0 0.2 4.0
assign (resid   12 and  name HA   )(resid   53 and  name HA   ) 2.0 0.2 1.3
assign (resid   12 and  name HB2  )(resid   51 and  name HB#  ) 2.0 0.2 4.5

!V13
assign (resid   13 and  name HN   )(resid   51 and  name HB#  ) 2.0 0.2 4.5
assign (resid   13 and  name HN   )(resid   52 and  name HN   ) 2.0 0.2 1.5
assign (resid   13 and  name HN   )(resid   53 and  name HA   ) 2.0 0.2 3.0
assign (resid   13 and  name HA   )(resid   84 and  name HB#  ) 2.0 0.2 2.8
assign (resid   13 and  name HG2# )(resid   51 and  name HA   ) 2.0 0.2 4.5

!G14
assign (resid   14 and  name HN   )(resid   84 and  name HB#  ) 2.0 0.2 3.0
assign (resid   14 and  name HN   )(resid   84 and  name HN   ) 2.0 0.2 1.5
assign (resid   14 and  name HA#  )(resid   50 and  name HG2# ) 2.0 0.2 5.5
assign (resid   14 and  name HA#  )(resid   51 and  name HB#  ) 2.0 0.2 5.5

!P15
assign (resid   15 and  name HB#  )(resid   50 and  name HG1# ) 2.0 0.2 5.0
assign (resid   15 and  name HB#  )(resid   50 and  name HD1# ) 2.0 0.2 5.0
assign (resid   15 and  name HD#  )(resid   50 and  name HA   ) 2.0 0.2 3.0
assign (resid   15 and  name HD#  )(resid   49 and  name HG#  ) 2.0 0.2 5.0
assign (resid   15 and  name HD#  )(resid   50 and  name HB   ) 2.0 0.2 4.0
assign (resid   15 and  name HD#  )(resid   50 and  name HG1# ) 2.0 0.2 5.0
assign (resid   15 and  name HD#  )(resid   50 and  name HD1# ) 2.0 0.2 5.5
assign (resid   15 and  name HD#  )(resid   51 and  name HA   ) 2.0 0.2 4.0
assign (resid   15 and  name HG#  )(resid   50 and  name HD1# ) 2.0 0.2 5.0

!I16
assign (resid   16 and  name HN   )(resid   82 and  name HN   ) 2.0 0.2 1.5
assign (resid   16 and  name HN   )(resid   83 and  name HA   ) 2.0 0.2 3.0
assign (resid   16 and  name HG1# )(resid   49 and  name HG#  ) 2.0 0.2 5.5
assign (resid   16 and  name HD1# )(resid   49 and  name HG#  ) 2.0 0.2 5.5

!I17
assign (resid   17 and  name HN   )(resid   48 and  name HN   ) 2.0 0.2 2.0
assign (resid   17 and  name HN   )(resid   49 and  name HA   ) 2.0 0.2 3.0
assign (resid   17 and  name HG1# )(resid   48 and  name HG1# ) 2.0 0.2 5.5
assign (resid   17 and  name HG1# )(resid   48 and  name HG2# ) 2.0 0.2 5.5
assign (resid   17 and  name HA   )(resid   80 and  name HA   ) 2.0 0.2 
3.0 !or 48HA

!R18
assign (resid   18 and  name HN   )(resid   80 and  name HB#  ) 2.0 0.2 4.0
assign (resid   18 and  name HN   )(resid   81 and  name HB#  ) 2.0 0.2 4.0
assign (resid   18 and  name HN   )(resid   81 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HA   )(resid   47 and  name HA   ) 2.0 0.2 3.0

!A19
assign (resid   19 and  name HN   )(resid   47 and  name HA   ) 2.0 0.2 3.0
assign (resid   19 and  name HN   )(resid   48 and  name HN   ) 2.0 0.2 3.0
assign (resid   19 and  name HB#  )(resid   46 and  name HA   ) 2.0 0.2 4.5
assign (resid   19 and  name HB#  )(resid   47 and  name HA   ) 2.0 0.2 4.5

!G20

!D21
!L22
assign (resid   22 and  name HD#  )(resid   67 and  name HD#  ) 2.0 0.2 
5.5 !non stereo

!V23
assign (resid   23 and  name HA   )(resid   48 and  name HG1# ) 2.0 0.2 4.5
assign (resid   23 and  name HA   )(resid   48 and  name HG2# ) 2.0 0.2 4.5
assign (resid   23 and  name HG1# )(resid   48 and  name HB   ) 2.0 0.2 4.5
assign (resid   23 and  name HG2# )(resid   48 and  name HB   ) 2.0 0.2 4.5
assign (resid   23 and  name HG1# )(resid   48 and  name HG1# ) 2.0 0.2 6.0
assign (resid   23 and  name HG2# )(resid   48 and  name HG2# ) 2.0 0.2 6.0
assign (resid   23 and  name HG1# )(resid   48 and  name HG1# ) 2.0 0.2 6.0
assign (resid   23 and  name HG2# )(resid   48 and  name HG2# ) 2.0 0.2 6.0

!E24
!P25

!V26
assign (resid   26 and  name HA   )(resid   63 and  name HD#  ) 2.0 0.2 5.4
assign (resid   26 and  name HG1# )(resid   63 and  name HB#  ) 2.0 0.2 4.0
assign (resid   26 and  name HG2# )(resid   63 and  name HB#  ) 2.0 0.2 4.0
assign (resid   26 and  name HG1# )(resid   63 and  name HD#  ) 2.0 0.2 4.6
assign (resid   26 and  name HG2# )(resid   63 and  name HD#  ) 2.0 0.2 4.6
assign (resid   26 and  name HG#  )(resid   67 and  name HD#  ) 2.0 0.2 
7.8 !non stereo

!I27
assign (resid   27 and  name HB   )(resid   63 and  name HD#  ) 2.0 0.2 5.4
assign (resid   27 and  name HG2# )(resid   63 and  name HD#  ) 2.0 0.2 6.9

!E28
!T29

!A30

!E31

!I32
!D33
!N34
assign (resid   34 and  name HB3  )(resid   58 and  name HD#  ) 2.0 0.2 5.4
assign (resid   34 and  name HB2  )(resid   58 and  name HD#  ) 2.0 0.2 5.4
assign (resid   34 and  name HD2# )(resid   58 and  name HD#  ) 2.0 0.2 
6.4 !non stereo
assign (resid   34 and  name HD2# )(resid   58 and  name HN   ) 2.0 0.2 4.0
assign (resid   34 and  name HD2# )(resid   57 and  name HB   ) 2.0 0.2 4.0
assign (resid   34 and  name HD2# )(resid   57 and  name HG1# ) 2.0 0.2 5.0

!P35
!G36
!K37
!E38
assign (resid   38 and  name HG#  )(resid   53 and  name HB#  ) 2.0 0.2 4.0

!I39
assign (resid   39 and  name HD1# )(resid   56 and  name HD#  ) 2.0 0.2 5.4

!T40
assign (resid   40 and  name HN   )(resid   51 and  name HB#  ) 2.0 0.2 3.0
assign (resid   40 and  name HB   )(resid   51 and  name HB#  ) 2.0 0.2 4.5

!V41
assign (resid   41 and  name HG1# )(resid   27 and  name HG1# ) 2.0 0.2 4.5
assign (resid   41 and  name HG1# )(resid   27 and  name HG2# ) 2.0 0.2 4.0
assign (resid   41 and  name HG2# )(resid   27 and  name HG1# ) 2.0 0.2 4.0
assign (resid   41 and  name HG2# )(resid   27 and  name HG2# ) 2.0 0.2 4.5
assign (resid   41 and  name HG1# )(resid   50 and  name HG1# ) 2.0 0.2 4.0
assign (resid   41 and  name HG1# )(resid   50 and  name HG2# ) 2.0 0.2 4.5
assign (resid   41 and  name HG1# )(resid   50 and  name HA   ) 2.0 0.2 4.5
assign (resid   41 and  name HG2# )(resid   50 and  name HA   ) 2.0 0.2 4.5
assign (resid   41 and  name HG2# )(resid   50 and  name HG2# ) 2.0 0.2 4.0
assign (resid   41 and  name HG2# )(resid   51 and  name HN   ) 2.0 0.2 4.5

!E42
assign (resid   42 and  name HN   )(resid   49 and  name HG2# ) 2.0 0.2 4.0
assign (resid   42 and  name HN   )(resid   50 and  name HA   ) 2.0 0.2 1.5
assign (resid   42 and  name HN   )(resid   50 and  name HG1# ) 2.0 0.2 4.0

!D43
assign (resid   43 and  name HA   )(resid   49 and  name HN   ) 2.0 0.2 3.0

!R44

!R45

!A46

!Y47
assign (resid   47 and  name HD#  )(resid   18 and  name HA   ) 2.0 0.2 5.4
assign (resid   47 and  name HD#  )(resid   18 and  name HB#  ) 2.0 0.2 4.9
assign (resid   47 and  name HD#  )(resid   18 and  name HG#  ) 2.0 0.2 6.4
assign (resid   47 and  name HD#  )(resid   19 and  name HB#  ) 2.0 0.2 6.9
assign (resid   47 and  name HE#  )(resid   18 and  name HA   ) 2.0 0.2 5.4
assign (resid   47 and  name HE#  )(resid   18 and  name HB#  ) 2.0 0.2 4.9
assign (resid   47 and  name HE#  )(resid   18 and  name HG#  ) 2.0 0.2 6.4
assign (resid   47 and  name HE#  )(resid   19 and  name HB#  ) 2.0 0.2 6.9

!V48
assign (resid   48 and  name HN   )(resid   17 and  name HG2# ) 2.0 0.2 4.5
assign (resid   48 and  name HN   )(resid   18 and  name HN   ) 2.0 0.2 3.0
assign (resid   48 and  name HN   )(resid   18 and  name HA   ) 2.0 0.2 3.0
assign (resid   48 and  name HN   )(resid   17 and  name HB   ) 2.0 0.2 3.0
assign (resid   48 and  name HN   )(resid   18 and  name HB#  ) 2.0 0.2 4.0
assign (resid   48 and  name HN   )(resid   19 and  name HB#  ) 2.0 0.2 3.5
assign (resid   48 and  name HB   )(resid   17 and  name HG1# ) 2.0 0.2 4.0
assign (resid   48 and  name HB   )(resid   17 and  name HG2# ) 2.0 0.2 4.5
assign (resid   48 and  name HB   )(resid   17 and  name HD1# ) 2.0 0.2 4.5
assign (resid   48 and  name HG1# )(resid   16 and  name HD1# ) 2.0 0.2 6.0
assign (resid   48 and  name HG1# )(resid   17 and  name HG1# ) 2.0 0.2 6.0
assign (resid   48 and  name HG2# )(resid   17 and  name HD1# ) 2.0 0.2 6.0

!R49
assign (resid   49 and  name HN   )(resid   42 and  name HN   ) 2.0 0.2 1.5
assign (resid   49 and  name HB#  )(resid   17 and  name HG1# ) 2.0 0.2 5.0
assign (resid   49 and  name HG#  )(resid   41 and  name HG1# ) 2.0 0.2 5.5

!I50
assign (resid   50 and  name HN   )(resid   15 and  name HG#  ) 2.0 0.2 4.0
assign (resid   50 and  name HN   )(resid   16 and  name HA   ) 2.0 0.2 3.0
assign (resid   50 and  name HB   )(resid   41 and  name HG1# ) 2.0 0.2 4.5

!A51
assign (resid   51 and  name HN   )(resid   40 and  name HG2# ) 2.0 0.2 4.5
assign (resid   51 and  name HN   )(resid   40 and  name HN   ) 2.0 0.2 1.5
assign (resid   51 and  name HN   )(resid   41 and  name HA   ) 2.0 0.2 1.5
assign (resid   51 and  name HA   )(resid   39 and  name HG2# ) 2.0 0.2 4.5

!A52
assign (resid   52 and  name HN   )(resid   12 and  name HB#  ) 2.0 0.2 4.0
assign (resid   52 and  name HN   )(resid   13 and  name HG2# ) 2.0 0.2 4.0
assign (resid   52 and  name HB#  )(resid   13 and  name HG2# ) 2.0 0.2 4.8
assign (resid   52 and  name HB#  )(resid   39 and  name HD1# ) 2.0 0.2 6.0

!E53
!G54
assign (resid   54 and  name HN   )(resid   12 and  name HA   ) 2.0 0.2 3.0

!E55
assign (resid   55 and  name HA   )(resid   97 and  name HA   ) 2.0 0.2 1.3
assign (resid   55 and  name HA   )(resid   97 and  name HB#  ) 2.0 0.2 4.0
assign (resid   55 and  name HN   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   55 and  name HN   )(resid   13 and  name HG2# ) 2.0 0.2 4.5
assign (resid   55 and  name HA   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   55 and  name HA   )(resid   13 and  name HG2# ) 2.0 0.2 4.5


!L56
assign (resid   56 and  name HN   )(resid   96 and  name HB3  ) 2.0 0.2 3.0
assign (resid   56 and  name HN   )(resid   96 and  name HB2  ) 2.0 0.2 2.0
assign (resid   56 and  name HN   )(resid   97 and  name HA   ) 2.0 0.2 1.5
assign (resid   56 and  name HD#  )(resid   96 and  name HB3  ) 2.0 0.2 4.5
assign (resid   56 and  name HD#  )(resid   96 and  name HB2  ) 2.0 0.2 4.5

!I57
assign (resid   57 and  name HN   )(resid   34 and  name HB3  ) 2.0 0.2 3.0
assign (resid   57 and  name HN   )(resid   34 and  name HD2# ) 2.0 0.2 2.5
assign (resid   57 and  name HA   )(resid   95 and  name HB#  ) 2.0 0.2 2.3
assign (resid   57 and  name HB   )(resid   95 and  name HB#  ) 2.0 0.2 2.3
assign (resid   57 and  name HB   )(resid   95 and  name HG#  ) 2.0 0.2 4.5
assign (resid   57 and  name HD1# )(resid   95 and  name HB#  ) 2.0 0.2 5.5
assign (resid   57 and  name HG2# )(resid   95 and  name HA   ) 2.0 0.2 4.5
assign (resid   57 and  name HG2# )(resid   95 and  name HB#  ) 2.0 0.2 5.5

!L58
assign (resid   58 and  name HN   )(resid   95 and  name HA   ) 2.0 0.2 1.5
assign (resid   58 and  name HN   )(resid   95 and  name HG#  ) 2.0 0.2 4.0

!T59
assign (resid   59 and  name HA   )(resid   93 and  name HB#  ) 2.0 0.2 4.0

!R60
assign (resid   60 and  name HN   )(resid   93 and  name HA   ) 2.0 0.2 3.0
assign (resid   60 and  name HN   )(resid   93 and  name HB#  ) 2.0 0.2 4.0

!K61
!T62
!L63
!E64
!E65
!Q66
!L67
!G68
!R69
!P70
!F71
assign (resid   71 and  name HD#  )(resid   65 and  name HG#  ) 2.0 0.2 6.4
assign (resid   71 and  name HD#  )(resid   76 and  name HB3  ) 2.0 0.2 6.4
assign (resid   71 and  name HD#  )(resid   76 and  name HD#  ) 2.0 0.2 6.9
assign (resid   71 and  name HE#  )(resid   65 and  name HA   ) 2.0 0.2 5.4
assign (resid   71 and  name HE#  )(resid   65 and  name HG#  ) 2.0 0.2 6.4
assign (resid   71 and  name HE#  )(resid   76 and  name HB3  ) 2.0 0.2 6.4
assign (resid   71 and  name HE#  )(resid   76 and  name HD#  ) 2.0 0.2 6.9

!N72

!M73
!Q74
!E75
!L76
assign (resid   76 and  name HD#  )(resid   94 and  name HG2# ) 2.0 0.2 5.4
assign (resid   76 and  name HD#  )(resid   94 and  name HD1# ) 2.0 0.2 5.4

!E77
!I78
!N79
!L80
!A81
assign (resid   81 and  name HN   )(resid   17 and  name HA   ) 2.0 0.2 2.0
assign (resid   81 and  name HN   )(resid   17 and  name HD1# ) 2.0 0.2 4.5
assign (resid   81 and  name HN   )(resid   18 and  name HG#  ) 2.0 0.2 4.0
assign (resid   81 and  name HN   )(resid   18 and  name HN   ) 2.0 0.2 3.0
assign (resid   81 and  name HB#  )(resid   16 and  name HG2# ) 2.0 0.2 6.0
assign (resid   81 and  name HB#  )(resid   18 and  name HG#  ) 2.0 0.2 5.5

!S82
assign (resid   82 and  name HN   )(resid   16 and  name HB   ) 2.0 0.2 3.0
assign (resid   82 and  name HN   )(resid   16 and  name HD1# ) 2.0 0.2 4.5

!F83
assign (resid   83 and  name HN   )(resid   16 and  name HG1# ) 2.0 0.2 4.0
assign (resid   83 and  name HN   )(resid   16 and  name HD1# ) 2.0 0.2 4.5
assign (resid   83 and  name HA   )(resid   15 and  name HA   ) 2.0 0.2 1.3
assign (resid   83 and  name HA   )(resid   16 and  name HB   ) 2.0 0.2 3.0
assign (resid   83 and  name HA   )(resid   15 and  name HD#  ) 2.0 0.2 4.0
assign (resid   83 and  name HB#  )(resid   15 and  name HA   ) 2.0 0.2 4.0
assign (resid   83 and  name HD#  )(resid   15 and  name HA   ) 2.0 0.2 5.4
assign (resid   83 and  name HD#  )(resid   15 and  name HD#  ) 2.0 0.2 6.4
assign (resid   83 and  name HD#  )(resid   16 and  name HA   ) 2.0 0.2 5.4
assign (resid   83 and  name HD#  )(resid   16 and  name HD1# ) 2.0 0.2 6.9
assign (resid   83 and  name HE#  )(resid   16 and  name HD1# ) 2.0 0.2 6.9
assign (resid   83 and  name HE#  )(resid   96 and  name HE#  ) 2.0 0.2 7.8
assign (resid   83 and  name HD#  )(resid   96 and  name HD#  ) 2.0 0.2 7.8

!A84
assign (resid   84 and  name HN   )(resid   14 and  name HN   ) 2.0 0.2 1.5
assign (resid   84 and  name HA   )(resid   14 and  name HA#  ) 2.0 0.2 4.0
assign (resid   84 and  name HB#  )(resid   14 and  name HA#  ) 2.0 0.2 6.0

!G85
assign (resid   85 and  name HN   )(resid   13 and  name HB   ) 2.0 0.2 3.0
assign (resid   85 and  name HN   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   85 and  name HA#  )(resid   13 and  name HG1# ) 2.0 0.2 5.5

!Q86
assign (resid   86 and  name HN   )(resid   97 and  name HN   ) 2.0 0.2 1.5
assign (resid   86 and  name HN   )(resid   97 and  name HD#  ) 2.0 0.2 6.4

!I87
assign (resid   87 and  name HA   )(resid   96 and  name HB#  ) 2.0 0.2 4.0
assign (resid   87 and  name HA   )(resid   96 and  name HA   ) 2.0 0.2 1.3

!Q88
assign (resid   88 and  name HN   )(resid   96 and  name HA   ) 2.0 0.2 1.5
assign (resid   88 and  name HN   )(resid   95 and  name HB#  ) 2.0 0.2 4.0
assign (resid   88 and  name HN   )(resid   95 and  name HN   ) 2.0 0.2 1.5
assign (resid   88 and  name HN   )(resid   97 and  name HE#  ) 2.0 0.2 6.4

!A89
assign (resid   89 and  name HA   )(resid   95 and  name HD#  ) 2.0 0.2 4.0
assign (resid   89 and  name HA   )(resid   95 and  name HG#  ) 2.0 0.2 4.0
assign (resid   89 and  name HA   )(resid   94 and  name HA   ) 2.0 0.2 0.7
assign (resid   89 and  name HA   )(resid   94 and  name HD1# ) 2.0 0.2 4.5
assign (resid   89 and  name HA   )(resid   94 and  name HG2# ) 2.0 0.2 4.5
assign (resid   89 and  name HA   )(resid   94 and  name HG1# ) 2.0 0.2 4.0
assign (resid   89 and  name HB#  )(resid   94 and  name HD1# ) 2.0 0.2 5.5
assign (resid   89 and  name HB#  )(resid   94 and  name HG1# ) 2.0 0.2 5.0
assign (resid   89 and  name HB#  )(resid   94 and  name HG2# ) 2.0 0.2 5.5

!D90

!E91
!D92
assign (resid   92 and  name HA   )(resid   61 and  name HB#  ) 2.0 0.2 4.0

!Q93
assign (resid   93 and  name HA   )(resid   59 and  name HA   ) 2.0 0.2 1.3
assign (resid   93 and  name HA   )(resid   59 and  name HB   ) 2.0 0.2 3.0

!I94
assign (resid   94 and  name HN   )(resid   58 and  name HD#  ) 2.0 0.2 5.4
assign (resid   94 and  name HN   )(resid   58 and  name HN   ) 2.0 0.2 1.5
assign (resid   94 and  name HN   )(resid   58 and  name HB3  ) 2.0 0.2 3.0
assign (resid   94 and  name HN   )(resid   58 and  name HB2  ) 2.0 0.2 3.0
assign (resid   94 and  name HN   )(resid   59 and  name HA   ) 2.0 0.2 1.5
assign (resid   94 and  name HA   )(resid   89 and  name HB#  ) 2.0 0.2 4.0
assign (resid   94 and  name HB   )(resid   58 and  name HD#  ) 2.0 0.2 
5.4 !non stereo
assign (resid   94 and  name HB   )(resid   89 and  name HB#  ) 2.0 0.2 3.0
assign (resid   94 and  name HG1# )(resid   58 and  name HD#  ) 2.0 0.2 6.4
assign (resid   94 and  name HG2# )(resid   58 and  name HB3  ) 2.0 0.2 3.5
assign (resid   94 and  name HG2# )(resid   58 and  name HB2  ) 2.0 0.2 3.0
assign (resid   94 and  name HG2# )(resid   58 and  name HD#  ) 2.0 0.2 
5.2 !non stereo
assign (resid   94 and  name HD1# )(resid   58 and  name HG   ) 2.0 0.2 4.5

!R95
assign (resid   95 and  name HN   )(resid   88 and  name HG#  ) 2.0 0.2 4.0
assign (resid   95 and  name HN   )(resid   89 and  name HA   ) 2.0 0.2 1.5
assign (resid   95 and  name HA   )(resid   57 and  name HA   ) 2.0 0.2 0.7
assign (resid   95 and  name HB#  )(resid   57 and  name HD1# ) 2.0 0.2 5.5

!F96
assign (resid   96 and  name HN   )(resid   56 and  name HB2  ) 2.0 0.2 3.0
assign (resid   96 and  name HN   )(resid   56 and  name HB3  ) 2.0 0.2 3.0
assign (resid   96 and  name HN   )(resid   56 and  name HN   ) 2.0 0.2 1.5
assign (resid   96 and  name HN   )(resid   57 and  name HA   ) 2.0 0.2 1.5
assign (resid   96 and  name HB#  )(resid   13 and  name HG1# ) 2.0 0.2 5.5
assign (resid   96 and  name HB3  )(resid   13 and  name HG2# ) 2.0 0.2 4.5
assign (resid   96 and  name HB3  )(resid   56 and  name HB#  ) 2.0 0.2 3.0
assign (resid   96 and  name HB2  )(resid   56 and  name HB#  ) 2.0 0.2 3.0
assign (resid   96 and  name HD#  )(resid   13 and  name HG2# ) 2.0 0.2 6.9
assign (resid   96 and  name HD#  )(resid   56 and  name HB3  ) 2.0 0.2 5.4
assign (resid   96 and  name HD#  )(resid   56 and  name HB2  ) 2.0 0.2 5.4
assign (resid   96 and  name HD#  )(resid   56 and  name HD1# ) 2.0 0.2 6.9
assign (resid   96 and  name HD#  )(resid   56 and  name HD2# ) 2.0 0.2 6.9
assign (resid   96 and  name HD#  )(resid   83 and  name HB#  ) 2.0 0.2 6.4
assign (resid   96 and  name HD#  )(resid   87 and  name HA   ) 2.0 0.2 5.4
assign (resid   96 and  name HD#  )(resid   87 and  name HD1# ) 2.0 0.2 6.9
assign (resid   96 and  name HD#  )(resid   87 and  name HG1# ) 2.0 0.2 6.4
assign (resid   96 and  name HD#  )(resid   87 and  name HG2# ) 2.0 0.2 5.4
assign (resid   96 and  name HE#  )(resid   56 and  name HB#  ) 2.0 0.2 6.4
assign (resid   96 and  name HE#  )(resid   56 and  name HD#  ) 2.0 0.2 7.8
assign (resid   96 and  name HE#  )(resid   83 and  name HB#  ) 2.0 0.2 6.4
assign (resid   96 and  name HE#  )(resid   87 and  name HD1# ) 2.0 0.2 6.9
assign (resid   96 and  name HE#  )(resid   87 and  name HG1# ) 2.0 0.2 6.4
assign (resid   96 and  name HE#  )(resid   87 and  name HG2# ) 2.0 0.2 5.4

!Y97
assign (resid   97 and  name HN   )(resid   86 and  name HB#  ) 2.0 0.2 4.0
assign (resid   97 and  name HN   )(resid   87 and  name HA   ) 2.0 0.2 1.5
assign (resid   97 and  name HA   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   97 and  name HB#  )(resid   55 and  name HB#  ) 2.0 0.2 5.0
assign (resid   97 and  name HD#  )(resid   54 and  name HA#  ) 2.0 0.2 6.4
assign (resid   97 and  name HD#  )(resid   55 and  name HB#  ) 2.0 0.2 6.4
assign (resid   97 and  name HD#  )(resid   86 and  name HA   ) 2.0 0.2 5.4
assign (resid   97 and  name HD#  )(resid   86 and  name HB#  ) 2.0 0.2 4.9
assign (resid   97 and  name HD#  )(resid   87 and  name HA   ) 2.0 0.2 5.4
assign (resid   97 and  name HD#  )(resid   87 and  name HG1# ) 2.0 0.2 6.4
assign (resid   97 and  name HD#  )(resid   87 and  name HG2# ) 2.0 0.2 6.4
assign (resid   97 and  name HE#  )(resid   88 and  name HB#  ) 2.0 0.2 6.4
assign (resid   97 and  name HE#  )(resid   88 and  name HG#  ) 2.0 0.2 6.4
assign (resid   97 and  name HE#  )(resid   88 and  name HA   ) 2.0 0.2 5.4
assign (resid   97 and  name HE#  )(resid   86 and  name HB#  ) 2.0 0.2 6.4
assign (resid   97 and  name HE#  )(resid   87 and  name HA   ) 2.0 0.2 5.4

!F98
assign (resid   98 and  name HN   )(resid   10 and  name HA   ) 2.0 0.2 3.0
assign (resid   98 and  name HN   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   98 and  name HN   )(resid   13 and  name HG2# ) 2.0 0.2 4.5
assign (resid   98 and  name HN   )(resid   55 and  name HA   ) 2.0 0.2 3.0
assign (resid   98 and  name HA   )(resid   13 and  name HG1# ) 2.0 0.2 4.5
assign (resid   98 and  name HA   )(resid   13 and  name HG2# ) 2.0 0.2 4.5
assign (resid   98 and  name HB#  )(resid   13 and  name HG1# ) 2.0 0.2 3.0
assign (resid   98 and  name HB#  )(resid   13 and  name HG2# ) 2.0 0.2 3.0
assign (resid   98 and  name HD#  )(resid   11 and  name HA   ) 2.0 0.2 5.4
assign (resid   98 and  name HD#  )(resid   11 and  name HB3  ) 2.0 0.2 5.4
assign (resid   98 and  name HD#  )(resid   11 and  name HB2  ) 2.0 0.2 5.4
assign (resid   98 and  name HD#  )(resid   13 and  name HG1# ) 2.0 0.2 5.2
assign (resid   98 and  name HE#  )(resid   11 and  name HA   ) 2.0 0.2 5.4
assign (resid   98 and  name HE#  )(resid   11 and  name HB3  ) 2.0 0.2 5.4
assign (resid   98 and  name HE#  )(resid   11 and  name HB2  ) 2.0 0.2 5.4
assign (resid   98 and  name HE#  )(resid   13 and  name HG1# ) 2.0 0.2 5.4

!D99

!K100
assign (resid  100 and  name HN   )(resid    9 and  name HA   ) 2.0 0.2 3.0
assign (resid  100 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 4.0
assign (resid  100 and  name HD#  )(resid    9 and  name HB#  ) 2.0 0.2 5.0

!T101
assign (resid  101 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 4.0

!M102

!H-bond
!V13
assign (resid   13 and  name HN   )(resid   52 and  name O    ) 2.3 0.6 0.1
assign (resid   13 and  name N    )(resid   52 and  name O    ) 3.3 0.6 0.1

!G14

!I16
assign (resid   16 and  name HN   )(resid   82 and  name O    ) 2.3 0.6 0.1
assign (resid   16 and  name N    )(resid   82 and  name O    ) 3.3 0.6 0.1

!I17
assign (resid   17 and  name HN   )(resid   48 and  name O    ) 2.3 0.6 0.1
assign (resid   17 and  name N    )(resid   48 and  name O    ) 3.3 0.6 0.1

!V26
assign (resid   26 and  name HN   )(resid   22 and  name O    ) 2.3 0.6 0.1
assign (resid   26 and  name N    )(resid   22 and  name O    ) 3.3 0.6 0.1

!I27
assign (resid   27 and  name HN   )(resid   23 and  name O    ) 2.3 0.6 0.1
assign (resid   27 and  name N    )(resid   23 and  name O    ) 3.3 0.6 0.1

!E28
assign (resid   28 and  name HN   )(resid   24 and  name O    ) 2.3 0.6 0.1
assign (resid   28 and  name N    )(resid   24 and  name O    ) 3.3 0.6 0.1

!T29
assign (resid   29 and  name HN   )(resid   25 and  name O    ) 2.3 0.6 0.1
assign (resid   29 and  name N    )(resid   25 and  name O    ) 3.3 0.6 0.1

!A30
assign (resid   30 and  name HN   )(resid   26 and  name O    ) 2.3 0.6 0.1
assign (resid   30 and  name N    )(resid   26 and  name O    ) 3.3 0.6 0.1

!E31
assign (resid   31 and  name HN   )(resid   27 and  name O    ) 2.3 0.6 0.1
assign (resid   31 and  name N    )(resid   27 and  name O    ) 3.3 0.6 0.1

!I32
assign (resid   32 and  name HN   )(resid   28 and  name O    ) 2.3 0.6 0.1
assign (resid   32 and  name N    )(resid   28 and  name O    ) 3.3 0.6 0.1

!D33
assign (resid   33 and  name HN   )(resid   29 and  name O    ) 2.3 0.6 0.1
assign (resid   33 and  name N    )(resid   29 and  name O    ) 3.3 0.6 0.1

!N34
assign (resid   34 and  name HN   )(resid   31 and  name O    ) 2.3 0.6 0.1
assign (resid   34 and  name N    )(resid   31 and  name O    ) 3.3 0.6 0.1

!K37
assign (resid   37 and  name HN   )(resid   35 and  name O    ) 2.3 0.6 0.1
assign (resid   37 and  name N    )(resid   35 and  name O    ) 3.3 0.6 0.1

!T40
assign (resid   40 and  name HN   )(resid   51 and  name O    ) 2.3 0.6 0.1
assign (resid   40 and  name N    )(resid   51 and  name O    ) 3.3 0.6 0.1

!E42
assign (resid   42 and  name HN   )(resid   49 and  name O    ) 2.3 0.6 0.1
assign (resid   42 and  name N    )(resid   49 and  name O    ) 3.3 0.6 0.1

!V48
assign (resid   48 and  name HN   )(resid   17 and  name O    ) 2.3 0.6 0.1
assign (resid   48 and  name N    )(resid   17 and  name O    ) 3.3 0.6 0.1

!R49
assign (resid   49 and  name HN   )(resid   42 and  name O    ) 2.3 0.6 0.1
assign (resid   49 and  name N    )(resid   42 and  name O    ) 3.3 0.6 0.1

!I50
assign (resid   50 and  name HN   )(resid   15 and  name O    ) 2.3 0.6 0.1
assign (resid   50 and  name N    )(resid   15 and  name O    ) 3.3 0.6 0.1

!A51
assign (resid   51 and  name HN   )(resid   40 and  name O    ) 2.3 0.6 0.1
assign (resid   51 and  name N    )(resid   40 and  name O    ) 3.3 0.6 0.1

!A52
assign (resid   52 and  name HN   )(resid   13 and  name O    ) 2.3 0.6 0.1
assign (resid   52 and  name N    )(resid   13 and  name O    ) 3.3 0.6 0.1

!L56
assign (resid   56 and  name HN   )(resid   96 and  name O    ) 2.3 0.6 0.1
assign (resid   56 and  name N    )(resid   96 and  name O    ) 3.3 0.6 0.1

!I57
assign (resid   57 and  name HN   )(resid   34 and  name OD1  ) 2.3 0.6 0.1
assign (resid   57 and  name N    )(resid   34 and  name OD1  ) 3.3 0.6 0.1

!L58
assign (resid   58 and  name HN   )(resid   94 and  name O    ) 2.3 0.6 0.1
assign (resid   58 and  name N    )(resid   94 and  name O    ) 3.3 0.6 0.1


!K61
assign (resid   61 and  name HN   )(resid   59 and  name O    ) 2.3 0.6 0.1
assign (resid   61 and  name N    )(resid   59 and  name O    ) 3.3 0.6 0.1


!L63
assign (resid   63 and  name HN   )(resid   60 and  name O    ) 2.3 0.6 0.1
assign (resid   63 and  name N    )(resid   60 and  name O    ) 3.3 0.6 0.1

!E64
assign (resid   64 and  name HN   )(resid   60 and  name O    ) 2.3 0.6 0.1
assign (resid   64 and  name N    )(resid   60 and  name O    ) 3.3 0.6 0.1

!E65
assign (resid   65 and  name HN   )(resid   61 and  name O    ) 2.3 0.6 0.1
assign (resid   65 and  name N    )(resid   61 and  name O    ) 3.3 0.6 0.1

!Q66
assign (resid   66 and  name HN   )(resid   62 and  name O    ) 2.3 0.6 0.1
assign (resid   66 and  name N    )(resid   62 and  name O    ) 3.3 0.6 0.1

!L67
assign (resid   67 and  name HN   )(resid   63 and  name O    ) 2.3 0.6 0.1
assign (resid   67 and  name N    )(resid   63 and  name O    ) 3.3 0.6 0.1

!R69
assign (resid   69 and  name HN   )(resid   66 and  name O    ) 2.3 0.6 0.1
assign (resid   69 and  name N    )(resid   66 and  name O    ) 3.3 0.6 0.1

!L76

!E77
assign (resid   77 and  name HN   )(resid   73 and  name O    ) 2.3 0.6 0.1
assign (resid   77 and  name N    )(resid   73 and  name O    ) 3.3 0.6 0.1

!S82
assign (resid   82 and  name HN   )(resid   16 and  name O    ) 2.3 0.6 0.1
assign (resid   82 and  name N    )(resid   16 and  name O    ) 3.3 0.6 0.1

!Q88
assign (resid   88 and  name HN   )(resid   95 and  name O    ) 2.3 0.6 0.1
assign (resid   88 and  name N    )(resid   95 and  name O    ) 3.3 0.6 0.1

!D90
assign (resid   90 and  name HN   )(resid   93 and  name O    ) 2.3 0.6 0.1
assign (resid   90 and  name N    )(resid   93 and  name O    ) 3.3 0.6 0.1

!Q93
assign (resid   93 and  name HN   )(resid   90 and  name O    ) 2.3 0.6 0.1
assign (resid   93 and  name N    )(resid   90 and  name O    ) 3.3 0.6 0.1

!I94
assign (resid   94 and  name HN   )(resid   58 and  name O    ) 2.3 0.6 0.1
assign (resid   94 and  name N    )(resid   58 and  name O    ) 3.3 0.6 0.1

!R95
assign (resid   95 and  name HN   )(resid   88 and  name O    ) 2.3 0.6 0.1
assign (resid   95 and  name N    )(resid   88 and  name O    ) 3.3 0.6 0.1

!F96
assign (resid   96 and  name HN   )(resid   56 and  name O    ) 2.3 0.6 0.1
assign (resid   96 and  name N    )(resid   56 and  name O    ) 3.3 0.6 0.1

!Y97
assign (resid   97 and  name HN   )(resid   86 and  name O    ) 2.3 0.6 0.1
assign (resid   97 and  name N    )(resid   86 and  name O    ) 3.3 0.6 0.1

!F98
assign (resid   98 and  name HN   )(resid   54 and  name O    ) 2.3 0.6 0.1
assign (resid   98 and  name N    )(resid   54 and  name O    ) 3.3 0.6 0.1


set message=on echo=on end
set message=off echo=off end
restraints dihedral reset

!T2

!L3
assign (resid  2 and name c)(resid  3 and name n)
         (resid  3 and name ca)(resid  3 and name c) 1.0 -100.0 80.0 2 !Phi

!A4
assign (resid  3 and name c)(resid  4 and name n)
         (resid  4 and name ca)(resid  4 and name c) 1.0 -100.0 80.0 2 !Phi

!Q6
assign (resid  5 and name c)(resid  6 and name n)
         (resid  6 and name ca)(resid  6 and name c) 1.0 -100.0 80.0 2 !Phi

!L8
assign (resid  7 and name c)(resid  8 and name n)
         (resid  8 and name ca)(resid  8 and name c) 1.0 -100.0 80.0 2 !Phi

!N11
assign (resid 10 and name c)(resid 11 and name n)
         (resid 11 and name ca)(resid 11 and name c) 1.0 -100.0 80.0 2 !Phi

!N12
assign (resid 11 and name c)(resid 12 and name n)
         (resid 12 and name ca)(resid 12 and name c) 1.0 -100.0 80.0 2 !Phi

!V13
assign (resid 12 and name c)(resid 13 and name n)
         (resid 13 and name ca)(resid 13 and name c) 1.0 -120.0 30.0 2 !Phi
assign (resid 13 and name n)(resid 13 and name ca)
         (resid 13 and name cb)(resid 13 and name cg1) 1.0 -60.0 60.0 
 2  !Chi 1

!I16
assign (resid 15 and name c)(resid 16 and name n)
         (resid 16 and name ca)(resid 16 and name c) 1.0 -100.0 80.0 2 !Phi

!I17
assign (resid 16 and name c)(resid 17 and name n)
         (resid 17 and name ca)(resid 17 and name c) 1.0 -120.0 40.0 2 !Phi

!R18
assign (resid 17 and name c)(resid 18 and name n)
         (resid 18 and name ca)(resid 18 and name c) 1.0 -100.0 80.0 2 !Phi

!A19
assign (resid 18 and name c)(resid 19 and name n)
         (resid 19 and name ca)(resid 19 and name c) 1.0 -100.0 80.0 2 !Phi

!D21
assign (resid 20 and name c)(resid 21 and name n)
         (resid 21 and name ca)(resid 21 and name c) 1.0 -100.0 80.0 2 !Phi

!L22
assign (resid 22 and name n)(resid 22 and name ca)
         (resid 22 and name cb)(resid 22 and name cg) 1.0 -60.0 60.0 2  !Chi 1

!V23
assign (resid 22 and name c)(resid 23 and name n)
         (resid 23 and name ca)(resid 23 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 23 and name n)(resid 23 and name ca)
         (resid 23 and name c)(resid 24 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 23 and name n)(resid 23 and name ca)
         (resid 23 and name cb)(resid 23 and name cg1) 1.0 -180.0 60.0 
 2  !Chi 1

!E24
assign (resid 23 and name c)(resid 24 and name n)
         (resid 24 and name ca)(resid 24 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 24 and name n)(resid 24 and name ca)
         (resid 24 and name c)(resid 25 and name n) 1.0 -40.0 30.0 2  !Psi

!P25

!V26
assign (resid 25 and name c)(resid 26 and name n)
         (resid 26 and name ca)(resid 26 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 26 and name n)(resid 26 and name ca)
         (resid 26 and name cb)(resid 26 and name cg1) 1.0 -180.0 60.0 
 2  !Chi 1

!I27
assign (resid 26 and name c)(resid 27 and name n)
         (resid 27 and name ca)(resid 27 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 27 and name n)(resid 27 and name ca)
         (resid 27 and name c)(resid 28 and name n) 1.0 -40.0 30.0 2  !Psi

!E28
assign (resid 27 and name c)(resid 28 and name n)
         (resid 28 and name ca)(resid 28 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 28 and name n)(resid 28 and name ca)
         (resid 28 and name c)(resid 29 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 28 and name n)(resid 28 and name ca)
         (resid 28 and name cb)(resid 28 and name cg) 1.0 -180.0 60.0 2 !Chi1

!T29
assign (resid 28 and name c)(resid 29 and name n)
         (resid 29 and name ca)(resid 29 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 29 and name n)(resid 29 and name ca)
         (resid 29 and name c)(resid 30 and name n) 1.0 -40.0 30.0 2  !Psi

!A30
assign (resid 29 and name c)(resid 30 and name n)
         (resid 30 and name ca)(resid 30 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 30 and name n)(resid 30 and name ca)
         (resid 30 and name c)(resid 31 and name n) 1.0 -40.0 30.0 2  !Psi

!E31
assign (resid 30 and name c)(resid 31 and name n)
         (resid 31 and name ca)(resid 31 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 31 and name n)(resid 31 and name ca)
         (resid 31 and name c)(resid 32 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 31 and name n)(resid 31 and name ca)
         (resid 31 and name cb)(resid 31 and name cg) 1.0 -60.0 60.0 2 !Chi1

!I32
assign (resid 31 and name c)(resid 32 and name n)
         (resid 32 and name ca)(resid 32 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 32 and name n)(resid 32 and name ca)
         (resid 32 and name c)(resid 33 and name n) 1.0 -40.0 30.0 2  !Psi
!D33
assign (resid 32 and name c)(resid 33 and name n)
         (resid 33 and name ca)(resid 33 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 33 and name n)(resid 33 and name ca)
         (resid 33 and name cb)(resid 33 and name cg) 1.0 -180.0 60.0 2 !Chi1

!N34
assign (resid 33 and name c)(resid 34 and name n)
         (resid 34 and name ca)(resid 34 and name c) 1.0 -120.0 30.0 2 !Phi
assign (resid 34 and name n)(resid 34 and name ca)
         (resid 34 and name cb)(resid 34 and name cg) 1.0 -180.0 60.0 2 !Chi1

!P35
!G36

!K37
assign (resid 36 and name c)(resid 37 and name n)
         (resid 37 and name ca)(resid 37 and name c) 1.0 -120.0 50.0 2 !Phi

!E38
assign (resid 37 and name c)(resid 38 and name n)
         (resid 38 and name ca)(resid 38 and name c) 1.0 -100.0 80.0 2 !Phi

!I39
assign (resid 38 and name c)(resid 39 and name n)
         (resid 39 and name ca)(resid 39 and name c) 1.0 -100.0 80.0 2 !Phi

!T40
assign (resid 39 and name c)(resid 40 and name n)
         (resid 40 and name ca)(resid 40 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 40 and name n)(resid 40 and name ca)
         (resid 40 and name c)(resid 41 and name n) 1.0 120.0 60.0 2  !Psi

!V41
assign (resid 40 and name c)(resid 41 and name n)
         (resid 41 and name ca)(resid 41 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 41 and name n)(resid 41 and name ca)
         (resid 41 and name c)(resid 42 and name n) 1.0 120.0 60.0 2  !Psi
assign (resid 41 and name n)(resid 41 and name ca)
         (resid 41 and name cb)(resid 41 and name cg1) 1.0 -180.0 60.0 
 2  !Chi 1

!E42
assign (resid 41 and name c)(resid 42 and name n)
         (resid 42 and name ca)(resid 42 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 42 and name n)(resid 42 and name ca)
         (resid 42 and name cb)(resid 42 and name cg) 1.0 -60.0 60.0 2 !Chi1

!D43
assign (resid 42 and name c)(resid 43 and name n)
         (resid 43 and name ca)(resid 43 and name c) 1.0 -100.0 80.0 2 !Phi
assign (resid 43 and name n)(resid 43 and name ca)
         (resid 43 and name cb)(resid 43 and name cg) 1.0 -60.0 60.0 2 !Chi1

!R44
assign (resid 43 and name c)(resid 44 and name n)
         (resid 44 and name ca)(resid 44 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 44 and name n)(resid 44 and name ca)
         (resid 44 and name cb)(resid 44 and name cg) 1.0 -180.0 60.0 2 !Chi1

!R45
assign (resid 45 and name n)(resid 45 and name ca)
         (resid 45 and name cb)(resid 45 and name cg) 1.0 -60.0 60.0 2 !Chi1

!A46
assign (resid 45 and name c)(resid 46 and name n)
         (resid 46 and name ca)(resid 46 and name c) 1.0 -60.0 30.0 2 !Phi

!Y47
assign (resid 46 and name c)(resid 47 and name n)
         (resid 47 and name ca)(resid 47 and name c) 1.0 -100.0 80.0 2 !Phi
assign (resid 47 and name n)(resid 47 and name ca)
         (resid 47 and name cb)(resid 47 and name cg) 1.0 -60.0 60.0 2 !Chi1

!V48
assign (resid 47 and name c)(resid 48 and name n)
         (resid 48 and name ca)(resid 48 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 48 and name n)(resid 48 and name ca)
         (resid 48 and name cb)(resid 48 and name cg1) 1.0 -180.0 60.0 
 2  !Chi 1

!R49
assign (resid 48 and name c)(resid 49 and name n)
         (resid 49 and name ca)(resid 49 and name c) 1.0 -100.0 80.0 2 !Phi

!I50
assign (resid 49 and name c)(resid 50 and name n)
         (resid 50 and name ca)(resid 50 and name c) 1.0 -120.0 30.0 2 !Phi

!A51
assign (resid 50 and name c)(resid 51 and name n)
         (resid 51 and name ca)(resid 51 and name c) 1.0 -100.0 80.0 2 !Phi

!A52
assign (resid 51 and name c)(resid 52 and name n)
         (resid 52 and name ca)(resid 52 and name c) 1.0 -100.0 80.0 2 !Phi

!E53
assign (resid 52 and name c)(resid 53 and name n)
         (resid 53 and name ca)(resid 53 and name c) 1.0 -60.0 30.0 2 !Phi

!G54

!E55
assign (resid 54 and name c)(resid 55 and name n)
         (resid 55 and name ca)(resid 55 and name c) 1.0 -100.0 80.0 2 !Phi

!L56
assign (resid 55 and name c)(resid 56 and name n)
         (resid 56 and name ca)(resid 56 and name c) 1.0 -100.0 80.0 2 !Phi

!I57
assign (resid 56 and name c)(resid 57 and name n)
         (resid 57 and name ca)(resid 57 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 57 and name n)(resid 57 and name ca)
         (resid 57 and name c)(resid 58 and name n) 1.0 120.0 60.0 2  !Psi

!L58
assign (resid 57 and name c)(resid 58 and name n)
         (resid 58 and name ca)(resid 58 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 58 and name n)(resid 58 and name ca)
         (resid 58 and name c)(resid 59 and name n) 1.0 120.0 60.0 2  !Psi
assign (resid 58 and name n)(resid 58 and name ca)
         (resid 58 and name cb)(resid 58 and name cg) 1.0 -60.0 60.0 2 !Chi1

!T59

!R60
assign (resid 59 and name c)(resid 60 and name n)
         (resid 60 and name ca)(resid 60 and name c) 1.0 -60.0 30.0 2 !Phi

!K61
assign (resid 60 and name c)(resid 61 and name n)
         (resid 61 and name ca)(resid 61 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 61 and name n)(resid 61 and name ca)
         (resid 61 and name c)(resid 62 and name n) 1.0 -40.0 30.0 2  !Psi

!T62
assign (resid 61 and name c)(resid 62 and name n)
         (resid 62 and name ca)(resid 62 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 62 and name n)(resid 62 and name ca)
         (resid 62 and name c)(resid 63 and name n) 1.0 -40.0 30.0 2  !Psi

!L63
assign (resid 62 and name c)(resid 63 and name n)
         (resid 63 and name ca)(resid 63 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 63 and name n)(resid 63 and name ca)
         (resid 63 and name c)(resid 64 and name n) 1.0 -40.0 30.0 2  !Psi

!E64
assign (resid 63 and name c)(resid 64 and name n)
         (resid 64 and name ca)(resid 64 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 64 and name n)(resid 64 and name ca)
         (resid 64 and name c)(resid 65 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 64 and name n)(resid 64 and name ca)
         (resid 64 and name cb)(resid 64 and name cg) 1.0 -60.0 60.0 2 !Chi1

!E65
assign (resid 64 and name c)(resid 65 and name n)
         (resid 65 and name ca)(resid 65 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 65 and name n)(resid 65 and name ca)
         (resid 65 and name c)(resid 66 and name n) 1.0 -40.0 30.0 2  !Psi

!Q66
assign (resid 65 and name c)(resid 66 and name n)
         (resid 66 and name ca)(resid 66 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 66 and name n)(resid 66 and name ca)
         (resid 66 and name c)(resid 67 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 66 and name n)(resid 66 and name ca)
         (resid 66 and name cb)(resid 66 and name cg) 1.0 -60.0 60.0 2 !Chi1

!L67
assign (resid 66 and name c)(resid 67 and name n)
         (resid 67 and name ca)(resid 67 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 67 and name n)(resid 67 and name ca)
         (resid 67 and name cb)(resid 67 and name cg) 1.0 -60.0 60.0 2 !Chi1

!G68

!R69
assign (resid 68 and name c)(resid 69 and name n)
         (resid 69 and name ca)(resid 69 and name c) 1.0 -60.0 30.0 2 !Phi

!P70

!F71
assign (resid 70 and name c)(resid 71 and name n)
         (resid 71 and name ca)(resid 71 and name c) 1.0 -120.0 40.0 2 !Phi

!N72
assign (resid 71 and name c)(resid 72 and name n)
         (resid 72 and name ca)(resid 72 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 72 and name n)(resid 72 and name ca)
         (resid 72 and name cb)(resid 72 and name cg) 1.0 -60.0 60.0 2 !Chi1

!M73
assign (resid 72 and name c)(resid 73 and name n)
         (resid 73 and name ca)(resid 73 and name c) 1.0 -60.0 30.0 2 !Phi

!Q74
assign (resid 73 and name c)(resid 74 and name n)
         (resid 74 and name ca)(resid 74 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 74 and name n)(resid 74 and name ca)
         (resid 74 and name c)(resid 75 and name n) 1.0 -40.0 30.0 2  !Psi

!E75
assign (resid 74 and name c)(resid 75 and name n)
         (resid 75 and name ca)(resid 75 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 75 and name n)(resid 75 and name ca)
         (resid 75 and name c)(resid 76 and name n) 1.0 -40.0 30.0 2  !Psi

!L76
assign (resid 75 and name c)(resid 76 and name n)
         (resid 76 and name ca)(resid 76 and name c) 1.0 -100.0 80.0 2 !Phi
assign (resid 76 and name n)(resid 76 and name ca)
         (resid 76 and name cb)(resid 76 and name cg) 1.0 -60.0 60.0 2  !Chi 1

!E77
assign (resid 76 and name c)(resid 77 and name n)
         (resid 77 and name ca)(resid 77 and name c) 1.0 -60.0 30.0 2 !Phi

!I78
assign (resid 77 and name c)(resid 78 and name n)
         (resid 78 and name ca)(resid 78 and name c) 1.0 -60.0 30.0 2 !Phi

!N79
assign (resid 78 and name c)(resid 79 and name n)
         (resid 79 and name ca)(resid 79 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 79 and name n)(resid 79 and name ca)
         (resid 79 and name cb)(resid 79 and name cg) 1.0 -60.0 60.0 2  !Chi 1

!L80
assign (resid 79 and name c)(resid 80 and name n)
         (resid 80 and name ca)(resid 80 and name c) 1.0 -100.0 80.0 2 !Phi

!A81

!S82(dan > dnn)
assign (resid 81 and name c)(resid 82 and name n)
         (resid 82 and name ca)(resid 82 and name c) 1.0 -100.0 80.0 2 !Phi

!F83(dan > dnn)
assign (resid 82 and name c)(resid 83 and name n)
         (resid 83 and name ca)(resid 83 and name c) 1.0 -100.0 80.0 2 !Phi

!A84
!G85
!Q86
assign (resid 85 and name c)(resid 86 and name n)
         (resid 86 and name ca)(resid 86 and name c) 1.0 -120.0 30.0 2 !Phi

!I87
assign (resid 86 and name c)(resid 87 and name n)
         (resid 87 and name ca)(resid 87 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 87 and name n)(resid 87 and name ca)
         (resid 87 and name c)(resid 88 and name n) 1.0 120.0 60.0 2  !Psi

!Q88
assign (resid 87 and name c)(resid 88 and name n)
         (resid 88 and name ca)(resid 88 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 88 and name n)(resid 88 and name ca)
         (resid 88 and name c)(resid 89 and name n) 1.0 120.0 60.0 2  !Psi

!A89
assign (resid 88 and name c)(resid 89 and name n)
         (resid 89 and name ca)(resid 89 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 89 and name n)(resid 89 and name ca)
         (resid 89 and name c)(resid 90 and name n) 1.0 120.0 60.0 2  !Psi

!D90
assign (resid 89 and name c)(resid 90 and name n)
         (resid 90 and name ca)(resid 90 and name c) 1.0 -100.0 80.0 2 !Phi

!E91
assign (resid 90 and name c)(resid 91 and name n)
         (resid 91 and name ca)(resid 91 and name c) 1.0 -60.0 30.0 2 !Phi
!D92
assign (resid 91 and name c)(resid 92 and name n)
         (resid 92 and name ca)(resid 92 and name c) 1.0 -120.0 40.0 2 !Phi

!Q93
assign (resid 92 and name c)(resid 93 and name n)
         (resid 93 and name ca)(resid 93 and name c) 1.0 -100.0 80.0 2 !Phi

!I94
assign (resid 93 and name c)(resid 94 and name n)
         (resid 94 and name ca)(resid 94 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 94 and name n)(resid 94 and name ca)
         (resid 94 and name c)(resid 95 and name n) 1.0 120.0 60.0 2  !Psi

!R95
assign (resid 94 and name c)(resid 95 and name n)
         (resid 95 and name ca)(resid 95 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 95 and name n)(resid 95 and name ca)
         (resid 95 and name c)(resid 96 and name n) 1.0 120.0 60.0 2  !Psi

!F96
assign (resid 95 and name c)(resid 96 and name n)
         (resid 96 and name ca)(resid 96 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 96 and name n)(resid 96 and name ca)
         (resid 96 and name c)(resid 97 and name n) 1.0 120.0 60.0 2  !Psi
assign (resid 96 and name n)(resid 96 and name ca)
         (resid 96 and name cb)(resid 96 and name cg) 1.0 -60.0 60.0 2 !Chi1

!Y97

!F98
!D99
assign (resid 98 and name c)(resid 99 and name n)
         (resid 99 and name ca)(resid 99 and name c) 1.0 -100.0 80.0 2 !Phi
assign (resid 99 and name n)(resid 99 and name ca)
         (resid 99 and name cb)(resid 99 and name cg) 1.0 -60.0 60.0 2 !Chi1

!K100
assign (resid 99 and name c)(resid 100 and name n)
         (resid 100 and name ca)(resid 100 and name c) 1.0 -100.0 80.0 2 !Phi

!T101
assign (resid 100 and name c)(resid 101 and name n)
         (resid 101 and name ca)(resid 101 and name c) 1.0 -60.0 30.0 2 !Phi

!M102


end

set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
    1    H    SER   1           HN       SER   1 -17.884  10.840 -21.500
    2    HA   SER   1           HA       SER   1 -18.016   9.944 -24.100
    3   1HB   SER   1          2HB       SER   1 -17.200  12.772 -24.376
    4   2HB   SER   1          1HB       SER   1 -18.148  11.772 -25.460
    5    HG   SER   1           HG       SER   1 -19.024  13.276 -23.164
    6    H    THR   2           HN       THR   2 -16.412  12.096 -21.712
    7    HA   THR   2           HA       THR   2 -13.828  10.960 -22.560
    8    HB   THR   2           HB       THR   2 -14.748  13.724 -21.792
    9    HG1  THR   2           HG1      THR   2 -13.976  12.660 -23.940
   10   1HG2  THR   2          1HG2      THR   2 -13.104  13.792 -20.136
   11   2HG2  THR   2          2HG2      THR   2 -12.224  12.404 -20.816
   12   3HG2  THR   2          3HG2      THR   2 -12.056  14.012 -21.556
   13    H    LEU   3           HN       LEU   3 -13.048   9.468 -21.232
   14    HA   LEU   3           HA       LEU   3 -14.148   9.212 -18.604
   15   1HB   LEU   3          2HB       LEU   3 -13.740   7.196 -19.672
   16   2HB   LEU   3          1HB       LEU   3 -12.180   7.708 -20.288
   17    HG   LEU   3           HG       LEU   3 -12.048   5.976 -18.516
   18   1HD1  LEU   3          1HD1      LEU   3 -10.036   6.744 -17.916
   19   2HD1  LEU   3          2HD1      LEU   3 -10.432   8.168 -18.904
   20   3HD1  LEU   3          3HD1      LEU   3 -10.712   8.200 -17.148
   21   1HD2  LEU   3          1HD2      LEU   3 -13.020   6.128 -16.508
   22   2HD2  LEU   3          2HD2      LEU   3 -12.544   7.832 -16.296
   23   3HD2  LEU   3          3HD2      LEU   3 -14.000   7.420 -17.236
   24    H    ALA   4           HN       ALA   4 -13.368  10.004 -16.708
   25    HA   ALA   4           HA       ALA   4 -10.584  10.808 -16.584
   26   1HB   ALA   4          1HB       ALA   4 -12.764  12.660 -17.008
   27   2HB   ALA   4          2HB       ALA   4 -12.036  12.940 -15.408
   28   3HB   ALA   4          3HB       ALA   4 -11.020  12.988 -16.868
   29    H    ASP   5           HN       ASP   5  -9.756  10.732 -14.460
   30    HA   ASP   5           HA       ASP   5 -11.684  10.180 -12.380
   31   1HB   ASP   5          2HB       ASP   5 -10.048   8.176 -13.624
   32   2HB   ASP   5          1HB       ASP   5  -9.364   8.464 -12.036
   33    H    GLN   6           HN       GLN   6 -10.660  10.460 -10.172
   34    HA   GLN   6           HA       GLN   6  -7.988  11.416 -10.092
   35   1HB   GLN   6          2HB       GLN   6 -10.084  13.324 -10.508
   36   2HB   GLN   6          1HB       GLN   6  -9.544  13.524  -8.856
   37   1HG   GLN   6          2HG       GLN   6  -7.116  13.288 -10.096
   38   2HG   GLN   6          1HG       GLN   6  -8.048  13.976 -11.412
   39   1HE2  GLN   6          1HE2      GLN   6  -8.008  14.368  -7.868
   40   2HE2  GLN   6          2HE2      GLN   6  -7.856  16.092  -7.840
   41    H    ALA   7           HN       ALA   7  -7.192  11.600  -7.876
   42    HA   ALA   7           HA       ALA   7  -8.800  11.412  -5.628
   43   1HB   ALA   7          1HB       ALA   7  -8.260   8.944  -5.096
   44   2HB   ALA   7          2HB       ALA   7  -9.576   9.268  -6.252
   45   3HB   ALA   7          3HB       ALA   7  -7.972   8.768  -6.844
   46    H    LEU   8           HN       LEU   8  -6.860  13.072  -5.824
   47    HA   LEU   8           HA       LEU   8  -4.500  11.760  -4.668
   48   1HB   LEU   8          2HB       LEU   8  -4.392  14.432  -6.004
   49   2HB   LEU   8          1HB       LEU   8  -3.108  13.272  -5.720
   50    HG   LEU   8           HG       LEU   8  -5.112  12.108  -7.448
   51   1HD1  LEU   8          1HD1      LEU   8  -4.216  14.896  -8.108
   52   2HD1  LEU   8          2HD1      LEU   8  -4.452  13.708  -9.412
   53   3HD1  LEU   8          3HD1      LEU   8  -5.804  14.124  -8.332
   54   1HD2  LEU   8          1HD2      LEU   8  -2.984  12.172  -8.996
   55   2HD2  LEU   8          2HD2      LEU   8  -2.168  12.648  -7.488
   56   3HD2  LEU   8          3HD2      LEU   8  -3.052  11.108  -7.572
   57    H    HIS   9           HN       HIS   9  -3.292  13.164  -3.072
   58    HA   HIS   9           HA       HIS   9  -3.204  14.648  -1.412
   59   1HB   HIS   9          2HB       HIS   9  -4.880  16.016  -2.872
   60   2HB   HIS   9          1HB       HIS   9  -6.088  15.440  -1.744
   61    HD1  HIS   9           HD1      HIS   9  -6.576  17.608  -0.516
   62    HD2  HIS   9           HD2      HIS   9  -2.492  16.672  -0.612
   63    HE1  HIS   9           HE1      HIS   9  -5.424  19.276   1.032
   64    H    ASN  10           HN       ASN  10  -4.124  14.824   0.896
   65    HA   ASN  10           HA       ASN  10  -4.324  12.464   2.036
   66   1HB   ASN  10          2HB       ASN  10  -4.212  14.460   3.408
   67   2HB   ASN  10          1HB       ASN  10  -5.728  15.072   2.784
   68   1HD2  ASN  10          1HD2      ASN  10  -6.920  15.208   4.568
   69   2HD2  ASN  10          2HD2      ASN  10  -7.348  13.892   5.612
   70    H    ASN  11           HN       ASN  11  -5.880  10.812   2.260
   71    HA   ASN  11           HA       ASN  11  -8.628  11.464   1.704
   72   1HB   ASN  11          2HB       ASN  11  -6.868   9.868  -0.096
   73   2HB   ASN  11          1HB       ASN  11  -8.364   9.056   0.316
   74   1HD2  ASN  11          1HD2      ASN  11  -8.048   9.636  -2.220
   75   2HD2  ASN  11          2HD2      ASN  11  -9.020  10.968  -2.744
   76    H    ASN  12           HN       ASN  12  -6.528   8.480   1.840
   77    HA   ASN  12           HA       ASN  12  -7.144   7.884   4.472
   78   1HB   ASN  12          2HB       ASN  12  -8.648   5.900   4.112
   79   2HB   ASN  12          1HB       ASN  12  -9.428   7.400   3.656
   80   1HD2  ASN  12          1HD2      ASN  12 -10.476   5.184   2.680
   81   2HD2  ASN  12          2HD2      ASN  12 -10.148   4.968   0.996
   82    H    VAL  13           HN       VAL  13  -5.908   5.980   5.124
   83    HA   VAL  13           HA       VAL  13  -4.280   4.864   2.948
   84    HB   VAL  13           HB       VAL  13  -2.768   4.332   5.012
   85   1HG1  VAL  13          1HG1      VAL  13  -2.004   5.732   3.232
   86   2HG1  VAL  13          2HG1      VAL  13  -3.076   7.064   3.736
   87   3HG1  VAL  13          3HG1      VAL  13  -1.692   6.600   4.756
   88   1HG2  VAL  13          1HG2      VAL  13  -4.372   6.696   6.048
   89   2HG2  VAL  13          2HG2      VAL  13  -4.380   5.048   6.720
   90   3HG2  VAL  13          3HG2      VAL  13  -2.896   6.028   6.784
   91    H    GLY  14           HN       GLY  14  -3.788   2.576   3.016
   92   1HA   GLY  14          2HA       GLY  14  -5.352   0.972   4.896
   93   2HA   GLY  14          1HA       GLY  14  -5.720   0.812   3.192
   94    HA   PRO  15           HA       PRO  15  -1.272  -0.732   3.828
   95   1HB   PRO  15          2HB       PRO  15  -0.272  -0.936   6.364
   96   2HB   PRO  15          1HB       PRO  15   0.040   0.436   5.316
   97   1HG   PRO  15          2HG       PRO  15  -1.776   0.252   7.644
   98   2HG   PRO  15          1HG       PRO  15  -1.132   1.684   6.860
   99   1HD   PRO  15          2HD       PRO  15  -3.784   0.628   6.596
  100   2HD   PRO  15          1HD       PRO  15  -3.108   1.992   5.724
  101    H    ILE  16           HN       ILE  16  -1.164  -2.808   3.280
  102    HA   ILE  16           HA       ILE  16  -2.584  -4.596   5.132
  103    HB   ILE  16           HB       ILE  16  -2.136  -4.984   2.172
  104   1HG1  ILE  16          2HG1      ILE  16  -3.564  -3.120   2.268
  105   2HG1  ILE  16          1HG1      ILE  16  -4.628  -4.496   2.040
  106   1HG2  ILE  16          1HG2      ILE  16  -2.804  -7.064   2.528
  107   2HG2  ILE  16          2HG2      ILE  16  -2.968  -6.736   4.272
  108   3HG2  ILE  16          3HG2      ILE  16  -4.344  -6.452   3.176
  109   1HD1  ILE  16          1HD1      ILE  16  -4.548  -4.432   4.772
  110   2HD1  ILE  16          2HD1      ILE  16  -4.320  -2.704   4.404
  111   3HD1  ILE  16          3HD1      ILE  16  -5.760  -3.564   3.804
  112    H    ILE  17           HN       ILE  17  -1.348  -6.016   6.232
  113    HA   ILE  17           HA       ILE  17   1.096  -6.960   4.964
  114    HB   ILE  17           HB       ILE  17   2.364  -6.560   7.060
  115   1HG1  ILE  17          2HG1      ILE  17   0.016  -4.788   7.800
  116   2HG1  ILE  17          1HG1      ILE  17   0.424  -6.308   8.572
  117   1HG2  ILE  17          1HG2      ILE  17   1.348  -4.284   5.372
  118   2HG2  ILE  17          2HG2      ILE  17   2.540  -4.016   6.668
  119   3HG2  ILE  17          3HG2      ILE  17   2.920  -5.120   5.324
  120   1HD1  ILE  17          1HD1      ILE  17   1.524  -3.680   9.068
  121   2HD1  ILE  17          2HD1      ILE  17   1.836  -5.196   9.948
  122   3HD1  ILE  17          3HD1      ILE  17   2.828  -4.768   8.536
  123    H    ARG  18           HN       ARG  18   2.100  -8.716   6.600
  124    HA   ARG  18           HA       ARG  18  -0.096 -10.500   7.008
  125   1HB   ARG  18          2HB       ARG  18   1.756 -12.164   7.512
  126   2HB   ARG  18          1HB       ARG  18   1.896 -11.408   5.940
  127   1HG   ARG  18          2HG       ARG  18   3.684  -9.996   6.632
  128   2HG   ARG  18          1HG       ARG  18   3.304 -10.184   8.332
  129   1HD   ARG  18          2HD       ARG  18   3.808 -12.804   7.668
  130   2HD   ARG  18          1HD       ARG  18   4.856 -11.996   6.520
  131    HE   ARG  18           HE       ARG  18   5.300 -10.716   8.996
  132   1HH1  ARG  18          2HH2      ARG  18   5.664 -13.952   7.656
  133   2HH1  ARG  18          1HH2      ARG  18   6.984 -14.372   8.700
  134   1HH2  ARG  18          2HH1      ARG  18   7.036 -11.272  10.372
  135   2HH2  ARG  18          1HH1      ARG  18   7.768 -12.840  10.256
  136    H    ALA  19           HN       ALA  19   0.088 -11.980   9.112
  137    HA   ALA  19           HA       ALA  19   0.308 -10.132  11.364
  138   1HB   ALA  19          1HB       ALA  19  -0.832 -12.740  11.960
  139   2HB   ALA  19          2HB       ALA  19  -1.572 -11.124  12.092
  140   3HB   ALA  19          3HB       ALA  19  -1.632 -12.008  10.548
  141    H    GLY  20           HN       GLY  20   1.556 -10.648  13.220
  142   1HA   GLY  20          2HA       GLY  20   3.516 -12.816  12.772
  143   2HA   GLY  20          1HA       GLY  20   3.884 -11.284  13.536
  144    H    ASP  21           HN       ASP  21   2.868 -10.764  15.652
  145    HA   ASP  21           HA       ASP  21   1.304 -12.576  17.012
  146   1HB   ASP  21          2HB       ASP  21   3.868 -13.584  16.804
  147   2HB   ASP  21          1HB       ASP  21   3.984 -12.700  18.312
  148    H    LEU  22           HN       LEU  22   0.540 -11.460  18.868
  149    HA   LEU  22           HA       LEU  22   0.320  -9.872  20.388
  150   1HB   LEU  22          2HB       LEU  22   3.268 -10.136  20.204
  151   2HB   LEU  22          1HB       LEU  22   2.664  -8.684  20.972
  152    HG   LEU  22           HG       LEU  22   1.196 -10.828  22.096
  153   1HD1  LEU  22          1HD1      LEU  22   3.892 -11.600  22.832
  154   2HD1  LEU  22          2HD1      LEU  22   2.512 -12.604  22.324
  155   3HD1  LEU  22          3HD1      LEU  22   3.580 -11.872  21.100
  156   1HD2  LEU  22          1HD2      LEU  22   3.320  -8.928  23.052
  157   2HD2  LEU  22          2HD2      LEU  22   1.580  -8.968  23.428
  158   3HD2  LEU  22          3HD2      LEU  22   2.668 -10.188  24.128
  159    H    VAL  23           HN       VAL  23   0.428  -9.424  17.328
  160    HA   VAL  23           HA       VAL  23   1.236  -6.684  17.104
  161    HB   VAL  23           HB       VAL  23   0.268  -8.860  15.368
  162   1HG1  VAL  23          1HG1      VAL  23  -1.520  -7.408  14.812
  163   2HG1  VAL  23          2HG1      VAL  23  -0.468  -5.976  14.828
  164   3HG1  VAL  23          3HG1      VAL  23  -0.304  -7.184  13.532
  165   1HG2  VAL  23          1HG2      VAL  23   2.104  -8.312  14.080
  166   2HG2  VAL  23          2HG2      VAL  23   2.024  -6.584  14.500
  167   3HG2  VAL  23          3HG2      VAL  23   2.644  -7.760  15.684
  168    H    GLU  24           HN       GLU  24  -1.488  -8.364  18.356
  169    HA   GLU  24           HA       GLU  24  -3.448  -6.500  17.552
  170   1HB   GLU  24          2HB       GLU  24  -3.344  -9.012  18.940
  171   2HB   GLU  24          1HB       GLU  24  -4.196  -7.880  19.976
  172   1HG   GLU  24          2HG       GLU  24  -5.500  -7.224  17.776
  173   2HG   GLU  24          1HG       GLU  24  -4.900  -8.748  17.156
  174    HA   PRO  25           HA       PRO  25  -2.748  -4.800  21.916
  175   1HB   PRO  25          2HB       PRO  25  -0.784  -5.820  23.516
  176   2HB   PRO  25          1HB       PRO  25  -2.452  -6.344  23.596
  177   1HG   PRO  25          2HG       PRO  25  -0.128  -7.740  22.420
  178   2HG   PRO  25          1HG       PRO  25  -1.684  -8.400  22.888
  179   1HD   PRO  25          2HD       PRO  25  -0.796  -7.824  20.224
  180   2HD   PRO  25          1HD       PRO  25  -2.392  -8.372  20.700
  181    H    VAL  26           HN       VAL  26  -0.296  -5.456  19.736
  182    HA   VAL  26           HA       VAL  26   1.404  -3.344  20.756
  183    HB   VAL  26           HB       VAL  26   1.552  -5.408  18.588
  184   1HG1  VAL  26          1HG1      VAL  26   2.756  -2.740  18.488
  185   2HG1  VAL  26          2HG1      VAL  26   3.960  -4.044  18.396
  186   3HG1  VAL  26          3HG1      VAL  26   2.620  -3.984  17.224
  187   1HG2  VAL  26          1HG2      VAL  26   3.336  -6.268  19.788
  188   2HG2  VAL  26          2HG2      VAL  26   3.724  -4.704  20.548
  189   3HG2  VAL  26          3HG2      VAL  26   2.304  -5.632  21.092
  190    H    ILE  27           HN       ILE  27  -0.760  -4.064  17.952
  191    HA   ILE  27           HA       ILE  27  -0.268  -1.612  16.656
  192    HB   ILE  27           HB       ILE  27  -1.188  -3.760  15.696
  193   1HG1  ILE  27          2HG1      ILE  27  -2.768  -2.472  14.140
  194   2HG1  ILE  27          1HG1      ILE  27  -2.416  -1.060  15.116
  195   1HG2  ILE  27          1HG2      ILE  27  -3.688  -2.744  17.060
  196   2HG2  ILE  27          2HG2      ILE  27  -3.712  -3.880  15.692
  197   3HG2  ILE  27          3HG2      ILE  27  -2.912  -4.340  17.212
  198   1HD1  ILE  27          1HD1      ILE  27  -0.936  -1.532  13.004
  199   2HD1  ILE  27          2HD1      ILE  27  -0.128  -1.040  14.512
  200   3HD1  ILE  27          3HD1      ILE  27  -0.144  -2.752  14.028
  201    H    GLU  28           HN       GLU  28  -2.644  -2.712  19.120
  202    HA   GLU  28           HA       GLU  28  -4.196  -0.404  19.000
  203   1HB   GLU  28          2HB       GLU  28  -4.312  -2.856  20.312
  204   2HB   GLU  28          1HB       GLU  28  -4.072  -1.736  21.636
  205   1HG   GLU  28          2HG       GLU  28  -6.008  -0.596  19.800
  206   2HG   GLU  28          1HG       GLU  28  -6.488  -2.240  20.176
  207    H    THR  29           HN       THR  29  -1.352  -1.368  21.000
  208    HA   THR  29           HA       THR  29  -1.408   1.008  22.576
  209    HB   THR  29           HB       THR  29   0.776  -1.080  22.068
  210    HG1  THR  29           HG1      THR  29  -0.792  -2.212  23.164
  211   1HG2  THR  29          1HG2      THR  29   0.440   0.260  24.712
  212   2HG2  THR  29          2HG2      THR  29   1.932  -0.188  23.856
  213   3HG2  THR  29          3HG2      THR  29   1.076   1.312  23.424
  214    H    ALA  30           HN       ALA  30  -0.076   0.104  19.428
  215    HA   ALA  30           HA       ALA  30   1.736   2.324  19.372
  216   1HB   ALA  30          1HB       ALA  30   0.912   0.068  17.596
  217   2HB   ALA  30          2HB       ALA  30   1.564   1.516  16.800
  218   3HB   ALA  30          3HB       ALA  30   2.536   0.656  18.016
  219    H    GLU  31           HN       GLU  31  -1.660   1.856  18.980
  220    HA   GLU  31           HA       GLU  31  -1.928   4.012  17.104
  221   1HB   GLU  31          2HB       GLU  31  -3.896   2.192  18.536
  222   2HB   GLU  31          1HB       GLU  31  -4.444   3.572  17.604
  223   1HG   GLU  31          2HG       GLU  31  -2.464   1.720  16.288
  224   2HG   GLU  31          1HG       GLU  31  -4.100   1.120  16.504
  225    H    ILE  32           HN       ILE  32  -2.300   3.360  20.604
  226    HA   ILE  32           HA       ILE  32  -3.596   5.804  21.192
  227    HB   ILE  32           HB       ILE  32  -3.260   5.224  23.468
  228   1HG1  ILE  32          2HG1      ILE  32  -1.376   2.984  22.732
  229   2HG1  ILE  32          1HG1      ILE  32  -0.776   4.604  23.044
  230   1HG2  ILE  32          1HG2      ILE  32  -4.972   3.888  22.760
  231   2HG2  ILE  32          2HG2      ILE  32  -3.968   3.024  21.572
  232   3HG2  ILE  32          3HG2      ILE  32  -3.824   2.640  23.304
  233   1HD1  ILE  32          1HD1      ILE  32  -2.716   3.716  25.084
  234   2HD1  ILE  32          2HD1      ILE  32  -1.284   2.664  24.980
  235   3HD1  ILE  32          3HD1      ILE  32  -1.088   4.408  25.288
  236    H    ASP  33           HN       ASP  33  -0.208   4.764  20.812
  237    HA   ASP  33           HA       ASP  33   0.972   6.888  22.096
  238   1HB   ASP  33          2HB       ASP  33   1.960   4.692  21.016
  239   2HB   ASP  33          1HB       ASP  33   2.096   5.656  19.560
  240    H    ASN  34           HN       ASN  34  -0.680   6.576  18.988
  241    HA   ASN  34           HA       ASN  34   0.320   9.196  18.208
  242   1HB   ASN  34          2HB       ASN  34  -0.104   6.756  16.744
  243   2HB   ASN  34          1HB       ASN  34  -1.300   7.900  16.160
  244   1HD2  ASN  34          1HD2      ASN  34   1.960   8.448  17.452
  245   2HD2  ASN  34          2HD2      ASN  34   2.640   9.196  16.044
  246    HA   PRO  35           HA       PRO  35  -3.764  10.664  18.848
  247   1HB   PRO  35          2HB       PRO  35  -3.776  12.912  17.300
  248   2HB   PRO  35          1HB       PRO  35  -3.060  12.852  18.896
  249   1HG   PRO  35          2HG       PRO  35  -1.720  12.876  16.260
  250   2HG   PRO  35          1HG       PRO  35  -1.048  13.240  17.836
  251   1HD   PRO  35          2HD       PRO  35  -0.684  10.828  16.336
  252   2HD   PRO  35          1HD       PRO  35  -0.112  11.144  17.960
  253    H    GLY  36           HN       GLY  36  -3.944   8.464  17.392
  254   1HA   GLY  36          2HA       GLY  36  -5.384   9.192  14.948
  255   2HA   GLY  36          1HA       GLY  36  -4.836   7.600  15.424
  256    H    LYS  37           HN       LYS  37  -6.988  10.216  16.768
  257    HA   LYS  37           HA       LYS  37  -8.684   8.196  17.936
  258   1HB   LYS  37          2HB       LYS  37  -9.964  10.252  18.704
  259   2HB   LYS  37          1HB       LYS  37  -8.332  10.060  19.316
  260   1HG   LYS  37          2HG       LYS  37  -8.600  11.588  16.752
  261   2HG   LYS  37          1HG       LYS  37  -9.256  12.368  18.180
  262   1HD   LYS  37          2HD       LYS  37  -6.640  11.188  18.768
  263   2HD   LYS  37          1HD       LYS  37  -6.532  12.256  17.384
  264   1HE   LYS  37          2HE       LYS  37  -7.496  14.116  18.652
  265   2HE   LYS  37          1HE       LYS  37  -7.888  13.068  19.996
  266   1HZ   LYS  37          1HZ       LYS  37  -5.184  13.728  19.056
  267   2HZ   LYS  37          2HZ       LYS  37  -5.884  14.228  20.448
  268   3HZ   LYS  37          3HZ       LYS  37  -5.504  12.652  20.240
  269    H    GLU  38           HN       GLU  38  -8.580   7.700  15.240
  270    HA   GLU  38           HA       GLU  38 -11.232   7.708  14.564
  271   1HB   GLU  38          2HB       GLU  38 -11.196   9.304  12.592
  272   2HB   GLU  38          1HB       GLU  38 -11.180  10.076  14.164
  273   1HG   GLU  38          2HG       GLU  38  -8.548  10.000  13.900
  274   2HG   GLU  38          1HG       GLU  38  -8.896   9.768  12.196
  275    H    ILE  39           HN       ILE  39  -9.300   5.768  14.636
  276    HA   ILE  39           HA       ILE  39  -8.864   5.240  11.780
  277    HB   ILE  39           HB       ILE  39  -6.956   5.116  14.064
  278   1HG1  ILE  39          2HG1      ILE  39  -5.760   5.460  11.492
  279   2HG1  ILE  39          1HG1      ILE  39  -7.192   6.472  11.552
  280   1HG2  ILE  39          1HG2      ILE  39  -6.784   3.236  11.692
  281   2HG2  ILE  39          2HG2      ILE  39  -5.580   3.440  12.988
  282   3HG2  ILE  39          3HG2      ILE  39  -7.184   2.760  13.360
  283   1HD1  ILE  39          1HD1      ILE  39  -4.972   7.476  12.456
  284   2HD1  ILE  39          2HD1      ILE  39  -6.424   7.660  13.472
  285   3HD1  ILE  39          3HD1      ILE  39  -5.216   6.412  13.864
  286    H    THR  40           HN       THR  40  -9.068   3.008  11.144
  287    HA   THR  40           HA       THR  40 -10.384   1.344  13.192
  288    HB   THR  40           HB       THR  40 -11.132   1.924  10.284
  289    HG1  THR  40           HG1      THR  40 -12.644   3.048  11.444
  290   1HG2  THR  40          1HG2      THR  40 -13.104   0.288  11.084
  291   2HG2  THR  40          2HG2      THR  40 -11.648  -0.372  10.304
  292   3HG2  THR  40          3HG2      THR  40 -11.808  -0.420  12.076
  293    H    VAL  41           HN       VAL  41  -9.304  -0.460  13.644
  294    HA   VAL  41           HA       VAL  41  -7.360  -1.368  11.656
  295    HB   VAL  41           HB       VAL  41  -7.672  -2.052  14.588
  296   1HG1  VAL  41          1HG1      VAL  41  -5.072  -2.456  13.248
  297   2HG1  VAL  41          2HG1      VAL  41  -5.944  -3.488  14.404
  298   3HG1  VAL  41          3HG1      VAL  41  -6.376  -3.524  12.680
  299   1HG2  VAL  41          1HG2      VAL  41  -5.924  -0.516  15.068
  300   2HG2  VAL  41          2HG2      VAL  41  -5.560  -0.268  13.344
  301   3HG2  VAL  41          3HG2      VAL  41  -7.076   0.360  14.032
  302    H    GLU  42           HN       GLU  42  -7.344  -3.528  10.900
  303    HA   GLU  42           HA       GLU  42  -9.672  -5.084  11.688
  304   1HB   GLU  42          2HB       GLU  42  -9.036  -3.996   9.012
  305   2HB   GLU  42          1HB       GLU  42  -9.352  -5.720   8.996
  306   1HG   GLU  42          2HG       GLU  42 -11.312  -4.488  10.720
  307   2HG   GLU  42          1HG       GLU  42 -11.248  -3.556   9.240
  308    H    ASP  43           HN       ASP  43  -7.928  -6.104  13.052
  309    HA   ASP  43           HA       ASP  43  -6.016  -7.616  11.508
  310   1HB   ASP  43          2HB       ASP  43  -6.436  -7.276  14.512
  311   2HB   ASP  43          1HB       ASP  43  -5.176  -8.276  13.824
  312    H    ARG  44           HN       ARG  44  -6.888  -9.544  10.708
  313    HA   ARG  44           HA       ARG  44  -9.016 -10.796  12.112
  314   1HB   ARG  44          2HB       ARG  44  -8.900 -10.760   9.612
  315   2HB   ARG  44          1HB       ARG  44  -7.420 -11.700   9.660
  316   1HG   ARG  44          2HG       ARG  44  -9.124 -13.312   9.256
  317   2HG   ARG  44          1HG       ARG  44  -8.768 -13.488  10.964
  318   1HD   ARG  44          2HD       ARG  44 -10.712 -11.644  11.208
  319   2HD   ARG  44          1HD       ARG  44 -11.200 -12.276   9.648
  320    HE   ARG  44           HE       ARG  44 -10.660 -14.444  11.488
  321   1HH1  ARG  44          2HH2      ARG  44 -13.060 -11.992  10.708
  322   2HH1  ARG  44          1HH2      ARG  44 -14.384 -12.896  11.364
  323   1HH2  ARG  44          2HH1      ARG  44 -12.404 -15.636  12.352
  324   2HH2  ARG  44          1HH1      ARG  44 -14.008 -14.984  12.304
  325    H    ARG  45           HN       ARG  45  -5.664 -11.784  11.064
  326    HA   ARG  45           HA       ARG  45  -4.736 -12.696  13.356
  327   1HB   ARG  45          2HB       ARG  45  -6.892 -14.468  12.484
  328   2HB   ARG  45          1HB       ARG  45  -5.380 -15.356  12.528
  329   1HG   ARG  45          2HG       ARG  45  -5.244 -13.900  14.892
  330   2HG   ARG  45          1HG       ARG  45  -6.964 -14.216  14.768
  331   1HD   ARG  45          2HD       ARG  45  -6.404 -16.680  14.376
  332   2HD   ARG  45          1HD       ARG  45  -4.728 -16.296  14.712
  333    HE   ARG  45           HE       ARG  45  -6.124 -15.240  16.888
  334   1HH1  ARG  45          2HH2      ARG  45  -5.824 -18.420  15.412
  335   2HH1  ARG  45          1HH2      ARG  45  -6.092 -19.272  16.892
  336   1HH2  ARG  45          2HH1      ARG  45  -6.476 -16.368  18.844
  337   2HH2  ARG  45          1HH1      ARG  45  -6.464 -18.100  18.860
  338    H    ALA  46           HN       ALA  46  -5.388 -13.908  10.000
  339    HA   ALA  46           HA       ALA  46  -2.736 -14.948   9.724
  340   1HB   ALA  46          1HB       ALA  46  -4.112 -14.572   7.216
  341   2HB   ALA  46          2HB       ALA  46  -3.760 -16.084   8.084
  342   3HB   ALA  46          3HB       ALA  46  -5.260 -15.188   8.428
  343    H    TYR  47           HN       TYR  47  -4.512 -11.948   8.932
  344    HA   TYR  47           HA       TYR  47  -1.944 -10.796   8.104
  345   1HB   TYR  47          2HB       TYR  47  -4.748 -10.292   6.936
  346   2HB   TYR  47          1HB       TYR  47  -3.256  -9.608   6.324
  347    HD1  TYR  47           HD1      TYR  47  -1.456 -11.312   5.468
  348    HD2  TYR  47           HD2      TYR  47  -5.592 -12.264   6.000
  349    HE1  TYR  47           HE1      TYR  47  -1.216 -13.276   3.876
  350    HE2  TYR  47           HE2      TYR  47  -5.340 -14.224   4.404
  351    HH   TYR  47           HH       TYR  47  -2.348 -15.428   3.492
  352    H    VAL  48           HN       VAL  48  -2.120  -8.288   8.088
  353    HA   VAL  48           HA       VAL  48  -3.940  -7.424  10.220
  354    HB   VAL  48           HB       VAL  48  -0.988  -6.796   9.984
  355   1HG1  VAL  48          1HG1      VAL  48  -2.716  -5.012  10.872
  356   2HG1  VAL  48          2HG1      VAL  48  -2.684  -6.020  12.340
  357   3HG1  VAL  48          3HG1      VAL  48  -1.180  -5.292  11.728
  358   1HG2  VAL  48          1HG2      VAL  48  -0.592  -8.180  11.820
  359   2HG2  VAL  48          2HG2      VAL  48  -2.304  -8.200  12.304
  360   3HG2  VAL  48          3HG2      VAL  48  -1.772  -9.112  10.868
  361    H    ARG  49           HN       ARG  49  -5.256  -5.892   9.396
  362    HA   ARG  49           HA       ARG  49  -4.096  -4.216   7.316
  363   1HB   ARG  49          2HB       ARG  49  -5.892  -5.416   6.296
  364   2HB   ARG  49          1HB       ARG  49  -6.904  -5.304   7.724
  365   1HG   ARG  49          2HG       ARG  49  -7.212  -2.880   7.368
  366   2HG   ARG  49          1HG       ARG  49  -6.084  -2.900   6.024
  367   1HD   ARG  49          2HD       ARG  49  -7.776  -4.796   5.108
  368   2HD   ARG  49          1HD       ARG  49  -8.904  -3.964   6.160
  369    HE   ARG  49           HE       ARG  49  -7.380  -2.132   4.460
  370   1HH1  ARG  49          2HH2      ARG  49 -10.216  -4.212   4.616
  371   2HH1  ARG  49          1HH2      ARG  49 -11.068  -3.352   3.376
  372   1HH2  ARG  49          2HH1      ARG  49  -8.504  -1.004   2.824
  373   2HH2  ARG  49          1HH1      ARG  49 -10.088  -1.516   2.352
  374    H    ILE  50           HN       ILE  50  -4.648  -1.908   7.368
  375    HA   ILE  50           HA       ILE  50  -5.964  -1.024   9.820
  376    HB   ILE  50           HB       ILE  50  -3.464   0.348   8.908
  377   1HG1  ILE  50          2HG1      ILE  50  -3.508  -2.032  10.788
  378   2HG1  ILE  50          1HG1      ILE  50  -2.892  -2.060   9.148
  379   1HG2  ILE  50          1HG2      ILE  50  -3.900   1.632  10.660
  380   2HG2  ILE  50          2HG2      ILE  50  -5.368   0.684  10.992
  381   3HG2  ILE  50          3HG2      ILE  50  -3.820   0.220  11.736
  382   1HD1  ILE  50          1HD1      ILE  50  -1.356  -0.092   9.852
  383   2HD1  ILE  50          2HD1      ILE  50  -1.812  -0.500  11.524
  384   3HD1  ILE  50          3HD1      ILE  50  -0.968  -1.700  10.512
  385    H    ALA  51           HN       ALA  51  -6.640   1.308   9.668
  386    HA   ALA  51           HA       ALA  51  -6.716   2.388   6.988
  387   1HB   ALA  51          1HB       ALA  51  -8.728   1.516   6.488
  388   2HB   ALA  51          2HB       ALA  51  -8.912   0.844   8.124
  389   3HB   ALA  51          3HB       ALA  51  -9.408   2.520   7.788
  390    H    ALA  52           HN       ALA  52  -6.228   4.504   7.248
  391    HA   ALA  52           HA       ALA  52  -7.252   5.808   9.672
  392   1HB   ALA  52          1HB       ALA  52  -5.180   6.936   9.964
  393   2HB   ALA  52          2HB       ALA  52  -4.744   5.240   9.652
  394   3HB   ALA  52          3HB       ALA  52  -4.596   6.448   8.356
  395    H    GLU  53           HN       GLU  53  -6.756   8.408   9.192
  396    HA   GLU  53           HA       GLU  53  -8.616   9.000   7.208
  397   1HB   GLU  53          2HB       GLU  53  -7.640  10.312   9.388
  398   2HB   GLU  53          1HB       GLU  53  -6.756  11.148   8.132
  399   1HG   GLU  53          2HG       GLU  53  -9.080  11.348   6.920
  400   2HG   GLU  53          1HG       GLU  53  -9.764  10.936   8.480
  401    H    GLY  54           HN       GLY  54  -5.104   8.648   7.220
  402   1HA   GLY  54          2HA       GLY  54  -4.464   8.196   4.764
  403   2HA   GLY  54          1HA       GLY  54  -4.908   9.880   4.552
  404    H    GLU  55           HN       GLU  55  -3.924  10.076   7.620
  405    HA   GLU  55           HA       GLU  55  -1.100  10.212   6.908
  406   1HB   GLU  55          2HB       GLU  55  -1.700  12.484   6.924
  407   2HB   GLU  55          1HB       GLU  55  -2.864  12.280   8.220
  408   1HG   GLU  55          2HG       GLU  55  -1.008  11.864   9.836
  409   2HG   GLU  55          1HG       GLU  55   0.164  12.036   8.544
  410    H    LEU  56           HN       LEU  56   0.216   9.064   8.268
  411    HA   LEU  56           HA       LEU  56  -0.644   8.724  11.028
  412   1HB   LEU  56          2HB       LEU  56  -0.052   6.432   9.152
  413   2HB   LEU  56          1HB       LEU  56  -0.144   6.288  10.896
  414    HG   LEU  56           HG       LEU  56  -2.444   7.296   9.212
  415   1HD1  LEU  56          1HD1      LEU  56  -2.744   4.588  10.240
  416   2HD1  LEU  56          2HD1      LEU  56  -3.040   5.240   8.612
  417   3HD1  LEU  56          3HD1      LEU  56  -1.400   4.728   9.080
  418   1HD2  LEU  56          1HD2      LEU  56  -2.156   6.416  12.084
  419   2HD2  LEU  56          2HD2      LEU  56  -2.772   7.956  11.444
  420   3HD2  LEU  56          3HD2      LEU  56  -3.732   6.472  11.260
  421    H    ILE  57           HN       ILE  57   1.148   8.076  12.448
  422    HA   ILE  57           HA       ILE  57   3.780   8.068  11.280
  423    HB   ILE  57           HB       ILE  57   4.560  10.060  11.988
  424   1HG1  ILE  57          2HG1      ILE  57   3.384  11.376  13.880
  425   2HG1  ILE  57          1HG1      ILE  57   2.548   9.880  14.228
  426   1HG2  ILE  57          1HG2      ILE  57   2.888  10.644  10.384
  427   2HG2  ILE  57          2HG2      ILE  57   1.600  10.588  11.616
  428   3HG2  ILE  57          3HG2      ILE  57   2.844  11.856  11.684
  429   1HD1  ILE  57          1HD1      ILE  57   5.112  10.608  15.124
  430   2HD1  ILE  57          2HD1      ILE  57   4.384   8.984  15.216
  431   3HD1  ILE  57          3HD1      ILE  57   5.420   9.420  13.836
  432    H    LEU  58           HN       LEU  58   4.964   6.588  12.368
  433    HA   LEU  58           HA       LEU  58   4.164   6.068  15.148
  434   1HB   LEU  58          2HB       LEU  58   5.300   3.908  13.428
  435   2HB   LEU  58          1HB       LEU  58   4.280   3.796  14.848
  436    HG   LEU  58           HG       LEU  58   3.156   4.992  12.336
  437   1HD1  LEU  58          1HD1      LEU  58   2.492   2.804  11.512
  438   2HD1  LEU  58          2HD1      LEU  58   4.268   2.916  11.620
  439   3HD1  LEU  58          3HD1      LEU  58   3.356   2.012  12.852
  440   1HD2  LEU  58          1HD2      LEU  58   1.100   4.536  13.244
  441   2HD2  LEU  58          2HD2      LEU  58   1.696   3.156  14.196
  442   3HD2  LEU  58          3HD2      LEU  58   2.052   4.816  14.720
  443    H    THR  59           HN       THR  59   5.876   5.536  16.616
  444    HA   THR  59           HA       THR  59   8.584   5.896  15.564
  445    HB   THR  59           HB       THR  59   9.052   7.600  17.280
  446    HG1  THR  59           HG1      THR  59   7.432   7.996  18.836
  447   1HG2  THR  59          1HG2      THR  59   7.300   9.376  16.704
  448   2HG2  THR  59          2HG2      THR  59   8.088   8.640  15.288
  449   3HG2  THR  59          3HG2      THR  59   6.448   8.132  15.760
  450    H    ARG  60           HN       ARG  60   6.560   3.808  16.876
  451    HA   ARG  60           HA       ARG  60   8.104   3.128  19.184
  452   1HB   ARG  60          2HB       ARG  60   5.516   2.304  17.960
  453   2HB   ARG  60          1HB       ARG  60   6.384   0.984  18.720
  454   1HG   ARG  60          2HG       ARG  60   4.992   1.952  20.432
  455   2HG   ARG  60          1HG       ARG  60   6.632   2.444  20.800
  456   1HD   ARG  60          2HD       ARG  60   4.924   4.244  19.064
  457   2HD   ARG  60          1HD       ARG  60   4.648   4.232  20.792
  458    HE   ARG  60           HE       ARG  60   7.040   5.248  19.404
  459   1HH1  ARG  60          2HH2      ARG  60   5.648   4.244  22.476
  460   2HH1  ARG  60          1HH2      ARG  60   6.800   5.112  23.428
  461   1HH2  ARG  60          2HH1      ARG  60   8.564   6.396  20.664
  462   2HH2  ARG  60          1HH1      ARG  60   8.472   6.344  22.392
  463    H    LYS  61           HN       LYS  61   9.764   3.124  16.932
  464    HA   LYS  61           HA       LYS  61   9.876   0.680  15.576
  465   1HB   LYS  61          2HB       LYS  61  11.948   1.448  14.724
  466   2HB   LYS  61          1HB       LYS  61  10.936   2.868  14.908
  467   1HG   LYS  61          2HG       LYS  61  12.712   3.748  16.044
  468   2HG   LYS  61          1HG       LYS  61  12.148   2.776  17.388
  469   1HD   LYS  61          2HD       LYS  61  13.632   0.932  15.916
  470   2HD   LYS  61          1HD       LYS  61  14.540   2.412  15.672
  471   1HE   LYS  61          2HE       LYS  61  14.620   2.780  18.148
  472   2HE   LYS  61          1HE       LYS  61  13.704   1.308  18.396
  473   1HZ   LYS  61          1HZ       LYS  61  16.172   1.212  16.852
  474   2HZ   LYS  61          2HZ       LYS  61  16.240   1.232  18.484
  475   3HZ   LYS  61          3HZ       LYS  61  15.452   0.024  17.712
  476    H    THR  62           HN       THR  62  10.612   1.564  18.848
  477    HA   THR  62           HA       THR  62  12.580  -0.488  19.260
  478    HB   THR  62           HB       THR  62  12.456   1.704  20.524
  479    HG1  THR  62           HG1      THR  62  13.516   0.024  21.628
  480   1HG2  THR  62          1HG2      THR  62  10.564   2.320  21.644
  481   2HG2  THR  62          2HG2      THR  62   9.724   0.936  20.900
  482   3HG2  THR  62          3HG2      THR  62  10.516   0.752  22.484
  483    H    LEU  63           HN       LEU  63   9.044  -0.192  19.472
  484    HA   LEU  63           HA       LEU  63   8.756  -2.604  20.964
  485   1HB   LEU  63          2HB       LEU  63   6.928  -1.400  21.360
  486   2HB   LEU  63          1HB       LEU  63   7.060  -0.496  19.868
  487    HG   LEU  63           HG       LEU  63   6.144  -3.340  19.708
  488   1HD1  LEU  63          1HD1      LEU  63   3.848  -2.748  20.200
  489   2HD1  LEU  63          2HD1      LEU  63   4.880  -2.392  21.604
  490   3HD1  LEU  63          3HD1      LEU  63   4.320  -1.068  20.552
  491   1HD2  LEU  63          1HD2      LEU  63   6.360  -2.364  17.604
  492   2HD2  LEU  63          2HD2      LEU  63   4.624  -2.188  17.964
  493   3HD2  LEU  63          3HD2      LEU  63   5.720  -0.796  18.152
  494    H    GLU  64           HN       GLU  64   8.708  -1.636  17.504
  495    HA   GLU  64           HA       GLU  64   7.872  -4.192  16.652
  496   1HB   GLU  64          2HB       GLU  64   8.452  -1.596  15.468
  497   2HB   GLU  64          1HB       GLU  64   9.192  -2.864  14.512
  498   1HG   GLU  64          2HG       GLU  64   6.688  -3.952  15.072
  499   2HG   GLU  64          1HG       GLU  64   6.316  -2.244  14.924
  500    H    GLU  65           HN       GLU  65  10.992  -2.568  17.252
  501    HA   GLU  65           HA       GLU  65  12.500  -4.536  15.900
  502   1HB   GLU  65          2HB       GLU  65  13.088  -2.176  17.672
  503   2HB   GLU  65          1HB       GLU  65  14.356  -3.368  17.460
  504   1HG   GLU  65          2HG       GLU  65  13.584  -3.080  14.856
  505   2HG   GLU  65          1HG       GLU  65  13.152  -1.488  15.452
  506    H    GLN  66           HN       GLN  66  11.356  -3.992  19.244
  507    HA   GLN  66           HA       GLN  66  13.020  -5.912  20.408
  508   1HB   GLN  66          2HB       GLN  66  10.564  -4.384  21.208
  509   2HB   GLN  66          1HB       GLN  66  10.936  -5.820  22.140
  510   1HG   GLN  66          2HG       GLN  66  13.380  -4.296  21.700
  511   2HG   GLN  66          1HG       GLN  66  12.144  -3.236  22.348
  512   1HE2  GLN  66          1HE2      GLN  66  13.432  -3.096  24.240
  513   2HE2  GLN  66          2HE2      GLN  66  13.392  -4.328  25.460
  514    H    LEU  67           HN       LEU  67   9.600  -5.996  19.204
  515    HA   LEU  67           HA       LEU  67   8.876  -8.492  19.960
  516   1HB   LEU  67          2HB       LEU  67   8.304  -6.944  17.440
  517   2HB   LEU  67          1HB       LEU  67   7.548  -8.488  17.780
  518    HG   LEU  67           HG       LEU  67   7.372  -6.172  19.708
  519   1HD1  LEU  67          1HD1      LEU  67   5.336  -6.812  17.564
  520   2HD1  LEU  67          2HD1      LEU  67   5.316  -5.464  18.724
  521   3HD1  LEU  67          3HD1      LEU  67   6.544  -5.508  17.436
  522   1HD2  LEU  67          1HD2      LEU  67   6.568  -7.880  20.936
  523   2HD2  LEU  67          2HD2      LEU  67   5.088  -7.588  19.992
  524   3HD2  LEU  67          3HD2      LEU  67   6.208  -8.884  19.512
  525    H    GLY  68           HN       GLY  68  11.360  -7.564  17.644
  526   1HA   GLY  68          2HA       GLY  68  12.156 -10.348  17.416
  527   2HA   GLY  68          1HA       GLY  68  11.652  -9.584  15.924
  528    H    ARG  69           HN       ARG  69  13.720  -8.832  18.824
  529    HA   ARG  69           HA       ARG  69  15.236  -6.920  17.632
  530   1HB   ARG  69          2HB       ARG  69  16.116  -8.988  19.708
  531   2HB   ARG  69          1HB       ARG  69  16.960  -7.488  19.380
  532   1HG   ARG  69          2HG       ARG  69  15.008  -6.172  20.100
  533   2HG   ARG  69          1HG       ARG  69  14.040  -7.620  20.272
  534   1HD   ARG  69          2HD       ARG  69  14.940  -8.128  22.320
  535   2HD   ARG  69          1HD       ARG  69  16.572  -7.752  21.804
  536    HE   ARG  69           HE       ARG  69  14.984  -5.336  22.052
  537   1HH1  ARG  69          2HH2      ARG  69  16.748  -7.736  23.932
  538   2HH1  ARG  69          1HH2      ARG  69  17.056  -6.660  25.252
  539   1HH2  ARG  69          2HH1      ARG  69  15.392  -3.916  23.796
  540   2HH2  ARG  69          1HH1      ARG  69  16.280  -4.476  25.176
  541    HA   PRO  70           HA       PRO  70  18.048 -10.508  16.212
  542   1HB   PRO  70          2HB       PRO  70  17.000 -13.032  16.116
  543   2HB   PRO  70          1HB       PRO  70  17.972 -12.448  17.456
  544   1HG   PRO  70          2HG       PRO  70  15.048 -12.864  17.328
  545   2HG   PRO  70          1HG       PRO  70  16.072 -12.696  18.740
  546   1HD   PRO  70          2HD       PRO  70  14.336 -10.700  17.632
  547   2HD   PRO  70          1HD       PRO  70  15.448 -10.496  18.972
  548    H    PHE  71           HN       PHE  71  17.016  -8.856  14.620
  549    HA   PHE  71           HA       PHE  71  16.572 -10.428  12.264
  550   1HB   PHE  71          2HB       PHE  71  14.308  -9.796  11.920
  551   2HB   PHE  71          1HB       PHE  71  14.324  -9.928  13.668
  552    HD1  PHE  71           HD1      PHE  71  15.756  -7.416  14.388
  553    HD2  PHE  71           HD2      PHE  71  12.708  -8.144  11.528
  554    HE1  PHE  71           HE1      PHE  71  15.004  -5.028  14.580
  555    HE2  PHE  71           HE2      PHE  71  11.956  -5.756  11.720
  556    HZ   PHE  71           HZ       PHE  71  13.112  -4.228  13.244
  557    H    ASN  72           HN       ASN  72  15.376  -8.196  10.764
  558    HA   ASN  72           HA       ASN  72  17.204  -6.028  11.180
  559   1HB   ASN  72          2HB       ASN  72  17.228  -6.860   8.340
  560   2HB   ASN  72          1HB       ASN  72  18.572  -6.380   9.360
  561   1HD2  ASN  72          1HD2      ASN  72  16.296  -9.032   8.752
  562   2HD2  ASN  72          2HD2      ASN  72  17.368 -10.340   9.132
  563    H    MET  73           HN       MET  73  16.800  -4.640   8.772
  564    HA   MET  73           HA       MET  73  14.016  -4.048   8.984
  565   1HB   MET  73          2HB       MET  73  14.608  -2.132   7.528
  566   2HB   MET  73          1HB       MET  73  15.808  -2.280   8.796
  567   1HG   MET  73          2HG       MET  73  17.268  -3.596   7.188
  568   2HG   MET  73          1HG       MET  73  16.088  -3.300   5.928
  569   1HE   MET  73          1HE       MET  73  17.900  -0.748   4.316
  570   2HE   MET  73          2HE       MET  73  19.076  -1.824   5.108
  571   3HE   MET  73          3HE       MET  73  17.540  -2.484   4.488
  572    H    GLN  74           HN       GLN  74  15.984  -6.124   7.064
  573    HA   GLN  74           HA       GLN  74  14.668  -5.876   4.624
  574   1HB   GLN  74          2HB       GLN  74  16.876  -7.236   5.540
  575   2HB   GLN  74          1HB       GLN  74  15.744  -8.560   5.348
  576   1HG   GLN  74          2HG       GLN  74  15.280  -7.796   2.992
  577   2HG   GLN  74          1HG       GLN  74  16.456  -6.512   3.192
  578   1HE2  GLN  74          1HE2      GLN  74  17.252  -7.728   1.244
  579   2HE2  GLN  74          2HE2      GLN  74  18.420  -8.980   1.492
  580    H    GLU  75           HN       GLU  75  14.140  -7.976   7.512
  581    HA   GLU  75           HA       GLU  75  12.196  -9.576   6.388
  582   1HB   GLU  75          2HB       GLU  75  12.116  -8.756   9.300
  583   2HB   GLU  75          1HB       GLU  75  11.772 -10.324   8.596
  584   1HG   GLU  75          2HG       GLU  75  14.416  -9.876   7.812
  585   2HG   GLU  75          1HG       GLU  75  14.368  -9.156   9.408
  586    H    LEU  76           HN       LEU  76  12.100  -6.244   7.544
  587    HA   LEU  76           HA       LEU  76   9.316  -6.100   7.976
  588   1HB   LEU  76          2HB       LEU  76  11.352  -3.960   7.352
  589   2HB   LEU  76          1HB       LEU  76   9.704  -3.660   7.864
  590    HG   LEU  76           HG       LEU  76  11.772  -5.152   9.504
  591   1HD1  LEU  76          1HD1      LEU  76  11.932  -3.140  10.872
  592   2HD1  LEU  76          2HD1      LEU  76  12.408  -2.808   9.188
  593   3HD1  LEU  76          3HD1      LEU  76  10.812  -2.292   9.780
  594   1HD2  LEU  76          1HD2      LEU  76  10.148  -5.716  10.904
  595   2HD2  LEU  76          2HD2      LEU  76   9.572  -4.032  10.996
  596   3HD2  LEU  76          3HD2      LEU  76   8.968  -5.112   9.712
  597    H    GLU  77           HN       GLU  77  11.428  -5.140   5.180
  598    HA   GLU  77           HA       GLU  77   9.260  -4.412   3.592
  599   1HB   GLU  77          2HB       GLU  77  11.336  -3.496   2.956
  600   2HB   GLU  77          1HB       GLU  77  12.176  -5.028   3.084
  601   1HG   GLU  77          2HG       GLU  77  11.236  -5.852   1.040
  602   2HG   GLU  77          1HG       GLU  77   9.976  -4.636   1.024
  603    H    ILE  78           HN       ILE  78  10.492  -7.488   4.576
  604    HA   ILE  78           HA       ILE  78   9.436  -8.844   2.232
  605    HB   ILE  78           HB       ILE  78  11.388  -9.400   4.312
  606   1HG1  ILE  78          2HG1      ILE  78  11.764  -9.260   1.832
  607   2HG1  ILE  78          1HG1      ILE  78  12.416 -10.692   2.604
  608   1HG2  ILE  78          1HG2      ILE  78   9.960 -10.924   5.332
  609   2HG2  ILE  78          2HG2      ILE  78   9.216 -11.420   3.792
  610   3HG2  ILE  78          3HG2      ILE  78  10.876 -11.932   4.184
  611   1HD1  ILE  78          1HD1      ILE  78  10.816 -12.116   1.656
  612   2HD1  ILE  78          2HD1      ILE  78   9.616 -10.812   1.476
  613   3HD1  ILE  78          3HD1      ILE  78  11.004 -10.904   0.368
  614    H    ASN  79           HN       ASN  79   8.792  -8.336   5.728
  615    HA   ASN  79           HA       ASN  79   6.596 -10.136   5.676
  616   1HB   ASN  79          2HB       ASN  79   7.684  -8.124   7.696
  617   2HB   ASN  79          1HB       ASN  79   6.164  -8.948   7.988
  618   1HD2  ASN  79          1HD2      ASN  79   8.412  -9.184   9.612
  619   2HD2  ASN  79          2HD2      ASN  79   9.004 -10.812   9.568
  620    H    LEU  80           HN       LEU  80   5.472  -9.028   3.784
  621    HA   LEU  80           HA       LEU  80   3.600  -7.088   4.780
  622   1HB   LEU  80          2HB       LEU  80   4.140  -5.668   2.636
  623   2HB   LEU  80          1HB       LEU  80   4.932  -5.380   4.172
  624    HG   LEU  80           HG       LEU  80   6.920  -6.560   3.448
  625   1HD1  LEU  80          1HD1      LEU  80   5.600  -8.220   2.020
  626   2HD1  LEU  80          2HD1      LEU  80   5.680  -6.996   0.728
  627   3HD1  LEU  80          3HD1      LEU  80   7.180  -7.680   1.400
  628   1HD2  LEU  80          1HD2      LEU  80   7.720  -4.768   2.384
  629   2HD2  LEU  80          2HD2      LEU  80   6.600  -4.960   1.016
  630   3HD2  LEU  80          3HD2      LEU  80   6.064  -4.120   2.492
  631    H    ALA  81           HN       ALA  81   1.892  -6.636   3.024
  632    HA   ALA  81           HA       ALA  81   1.708  -8.976   1.252
  633   1HB   ALA  81          1HB       ALA  81  -0.248  -9.584   2.188
  634   2HB   ALA  81          2HB       ALA  81   0.156  -8.476   3.524
  635   3HB   ALA  81          3HB       ALA  81  -0.860  -7.912   2.172
  636    H    SER  82           HN       SER  82   0.184  -5.748   1.968
  637    HA   SER  82           HA       SER  82   0.816  -4.916  -0.684
  638   1HB   SER  82          2HB       SER  82  -1.772  -6.064  -0.136
  639   2HB   SER  82          1HB       SER  82  -1.996  -4.348  -0.404
  640    HG   SER  82           HG       SER  82  -2.084  -5.284  -2.436
  641    H    PHE  83           HN       PHE  83  -0.968  -2.676  -0.804
  642    HA   PHE  83           HA       PHE  83  -1.080  -1.328   1.676
  643   1HB   PHE  83          2HB       PHE  83   1.188  -0.848  -0.328
  644   2HB   PHE  83          1HB       PHE  83   0.648   0.460   0.708
  645    HD1  PHE  83           HD1      PHE  83   0.556  -0.140   3.284
  646    HD2  PHE  83           HD2      PHE  83   2.900  -2.208   0.412
  647    HE1  PHE  83           HE1      PHE  83   2.064  -0.968   5.112
  648    HE2  PHE  83           HE2      PHE  83   4.408  -3.036   2.240
  649    HZ   PHE  83           HZ       PHE  83   3.972  -2.408   4.568
  650    H    ALA  84           HN       ALA  84  -1.992   0.864   1.444
  651    HA   ALA  84           HA       ALA  84  -3.344   1.128  -1.148
  652   1HB   ALA  84          1HB       ALA  84  -4.540   2.800   0.804
  653   2HB   ALA  84          2HB       ALA  84  -5.184   1.280   0.136
  654   3HB   ALA  84          3HB       ALA  84  -4.200   1.252   1.620
  655    H    GLY  85           HN       GLY  85  -1.016   2.520   1.072
  656   1HA   GLY  85          2HA       GLY  85  -0.840   4.888  -0.684
  657   2HA   GLY  85          1HA       GLY  85  -0.792   5.036   1.060
  658    H    GLN  86           HN       GLN  86   1.360   5.916   1.036
  659    HA   GLN  86           HA       GLN  86   3.372   3.968   0.220
  660   1HB   GLN  86          2HB       GLN  86   3.104   6.812  -0.276
  661   2HB   GLN  86          1HB       GLN  86   4.572   6.532   0.644
  662   1HG   GLN  86          2HG       GLN  86   5.592   5.828  -1.252
  663   2HG   GLN  86          1HG       GLN  86   4.504   4.456  -1.304
  664   1HE2  GLN  86          1HE2      GLN  86   5.416   5.376  -3.620
  665   2HE2  GLN  86          2HE2      GLN  86   4.208   6.220  -4.524
  666    H    ILE  87           HN       ILE  87   5.452   4.064   1.588
  667    HA   ILE  87           HA       ILE  87   4.820   4.776   4.360
  668    HB   ILE  87           HB       ILE  87   5.696   2.728   5.172
  669   1HG1  ILE  87          2HG1      ILE  87   6.040   1.380   2.572
  670   2HG1  ILE  87          1HG1      ILE  87   7.220   2.632   2.900
  671   1HG2  ILE  87          1HG2      ILE  87   3.296   2.924   4.100
  672   2HG2  ILE  87          2HG2      ILE  87   3.948   1.720   2.964
  673   3HG2  ILE  87          3HG2      ILE  87   3.912   1.368   4.708
  674   1HD1  ILE  87          1HD1      ILE  87   8.316   1.064   4.128
  675   2HD1  ILE  87          2HD1      ILE  87   7.048   1.308   5.352
  676   3HD1  ILE  87          3HD1      ILE  87   6.896  -0.008   4.164
  677    H    GLN  88           HN       GLN  88   6.632   5.428   5.632
  678    HA   GLN  88           HA       GLN  88   9.140   5.588   4.208
  679   1HB   GLN  88          2HB       GLN  88   7.472   7.944   5.080
  680   2HB   GLN  88          1HB       GLN  88   9.216   8.076   5.184
  681   1HG   GLN  88          2HG       GLN  88   8.856   6.956   2.652
  682   2HG   GLN  88          1HG       GLN  88   7.472   8.024   2.788
  683   1HE2  GLN  88          1HE2      GLN  88   9.460   8.440   0.948
  684   2HE2  GLN  88          2HE2      GLN  88  10.352   9.880   1.320
  685    H    ALA  89           HN       ALA  89  10.996   5.964   5.656
  686    HA   ALA  89           HA       ALA  89  10.316   5.596   8.488
  687   1HB   ALA  89          1HB       ALA  89  12.196   3.996   8.648
  688   2HB   ALA  89          2HB       ALA  89  10.952   3.428   7.504
  689   3HB   ALA  89          3HB       ALA  89  12.464   4.140   6.892
  690    H    ASP  90           HN       ASP  90  11.672   6.680   9.960
  691    HA   ASP  90           HA       ASP  90  13.492   8.536   8.644
  692   1HB   ASP  90          2HB       ASP  90  11.356   9.172  10.196
  693   2HB   ASP  90          1HB       ASP  90  12.548   8.972  11.468
  694    H    GLU  91           HN       GLU  91  15.036   9.400  10.788
  695    HA   GLU  91           HA       GLU  91  17.028   7.788  11.076
  696   1HB   GLU  91          2HB       GLU  91  17.336   8.712  13.464
  697   2HB   GLU  91          1HB       GLU  91  17.160   9.884  12.176
  698   1HG   GLU  91          2HG       GLU  91  14.544   9.628  12.800
  699   2HG   GLU  91          1HG       GLU  91  15.208   9.132  14.344
  700    H    ASP  92           HN       ASP  92  14.256   7.660  13.436
  701    HA   ASP  92           HA       ASP  92  14.644   4.808  13.560
  702   1HB   ASP  92          2HB       ASP  92  14.664   6.616  16.020
  703   2HB   ASP  92          1HB       ASP  92  14.552   4.868  16.084
  704    H    GLN  93           HN       GLN  93  12.540   5.656  12.248
  705    HA   GLN  93           HA       GLN  93  10.352   5.068  13.896
  706   1HB   GLN  93          2HB       GLN  93   9.240   7.100  14.116
  707   2HB   GLN  93          1HB       GLN  93  10.904   7.624  14.296
  708   1HG   GLN  93          2HG       GLN  93  10.848   7.944  11.680
  709   2HG   GLN  93          1HG       GLN  93   9.104   7.880  11.860
  710   1HE2  GLN  93          1HE2      GLN  93   8.408   9.876  11.628
  711   2HE2  GLN  93          2HE2      GLN  93   8.964  11.272  12.484
  712    H    ILE  94           HN       ILE  94   8.216   5.256  12.544
  713    HA   ILE  94           HA       ILE  94   8.780   5.196   9.684
  714    HB   ILE  94           HB       ILE  94   9.056   2.920  10.260
  715   1HG1  ILE  94          2HG1      ILE  94   6.268   3.380   9.160
  716   2HG1  ILE  94          1HG1      ILE  94   7.756   3.332   8.236
  717   1HG2  ILE  94          1HG2      ILE  94   6.540   2.168  11.388
  718   2HG2  ILE  94          2HG2      ILE  94   8.176   2.008  12.076
  719   3HG2  ILE  94          3HG2      ILE  94   7.228   3.488  12.360
  720   1HD1  ILE  94          1HD1      ILE  94   7.808   1.056   8.216
  721   2HD1  ILE  94          2HD1      ILE  94   7.412   0.952   9.948
  722   3HD1  ILE  94          3HD1      ILE  94   6.112   1.148   8.748
  723    H    ARG  95           HN       ARG  95   7.220   6.236   8.524
  724    HA   ARG  95           HA       ARG  95   4.748   6.748   9.976
  725   1HB   ARG  95          2HB       ARG  95   4.808   8.872   8.300
  726   2HB   ARG  95          1HB       ARG  95   5.560   8.920   9.880
  727   1HG   ARG  95          2HG       ARG  95   7.144   7.916   7.496
  728   2HG   ARG  95          1HG       ARG  95   6.944   9.640   7.736
  729   1HD   ARG  95          2HD       ARG  95   7.652   8.604  10.292
  730   2HD   ARG  95          1HD       ARG  95   8.700   7.780   9.152
  731    HE   ARG  95           HE       ARG  95   8.884  10.544   9.916
  732   1HH1  ARG  95          2HH2      ARG  95   9.196   8.468   7.092
  733   2HH1  ARG  95          1HH2      ARG  95  10.304   9.520   6.280
  734   1HH2  ARG  95          2HH1      ARG  95  10.344  11.932   8.844
  735   2HH2  ARG  95          1HH1      ARG  95  10.960  11.504   7.284
  736    H    PHE  96           HN       PHE  96   2.784   6.876   8.632
  737    HA   PHE  96           HA       PHE  96   3.172   5.740   5.952
  738   1HB   PHE  96          2HB       PHE  96   1.160   5.168   8.200
  739   2HB   PHE  96          1HB       PHE  96   0.840   4.668   6.552
  740    HD1  PHE  96           HD1      PHE  96   1.616   2.608   5.800
  741    HD2  PHE  96           HD2      PHE  96   3.372   4.324   9.260
  742    HE1  PHE  96           HE1      PHE  96   2.908   0.492   6.196
  743    HE2  PHE  96           HE2      PHE  96   4.664   2.208   9.652
  744    HZ   PHE  96           HZ       PHE  96   4.416   0.316   8.116
  745    H    TYR  97           HN       TYR  97   1.764   6.488   4.304
  746    HA   TYR  97           HA       TYR  97  -0.408   8.224   4.920
  747   1HB   TYR  97          2HB       TYR  97   0.712  10.220   3.824
  748   2HB   TYR  97          1HB       TYR  97   1.560   9.740   5.284
  749    HD1  TYR  97           HD1      TYR  97   3.828   8.984   5.216
  750    HD2  TYR  97           HD2      TYR  97   1.664   9.604   1.576
  751    HE1  TYR  97           HE1      TYR  97   5.988   8.780   3.888
  752    HE2  TYR  97           HE2      TYR  97   3.832   9.396   0.260
  753    HH   TYR  97           HH       TYR  97   6.600   9.856   1.272
  754    H    PHE  98           HN       PHE  98  -1.692   8.696   3.052
  755    HA   PHE  98           HA       PHE  98  -0.964   7.004   0.780
  756   1HB   PHE  98          2HB       PHE  98  -3.144   6.548   1.816
  757   2HB   PHE  98          1HB       PHE  98  -3.520   8.256   1.920
  758    HD1  PHE  98           HD1      PHE  98  -5.088   9.036   0.432
  759    HD2  PHE  98           HD2      PHE  98  -2.624   5.788  -0.744
  760    HE1  PHE  98           HE1      PHE  98  -6.312   8.904  -1.752
  761    HE2  PHE  98           HE2      PHE  98  -3.848   5.656  -2.932
  762    HZ   PHE  98           HZ       PHE  98  -5.676   7.216  -3.412
  763    H    ASP  99           HN       ASP  99  -0.240  10.024   1.600
  764    HA   ASP  99           HA       ASP  99  -1.396  11.456  -0.552
  765   1HB   ASP  99          2HB       ASP  99   0.184  12.004   1.812
  766   2HB   ASP  99          1HB       ASP  99   0.980  12.748   0.440
  767    H    LYS 100           HN       LYS 100  -0.480  11.772  -2.620
  768    HA   LYS 100           HA       LYS 100   1.844  10.200  -3.248
  769   1HB   LYS 100          2HB       LYS 100   0.004  11.900  -4.952
  770   2HB   LYS 100          1HB       LYS 100   1.332  10.948  -5.580
  771   1HG   LYS 100          2HG       LYS 100   0.192   8.980  -5.360
  772   2HG   LYS 100          1HG       LYS 100  -0.424   9.400  -3.772
  773   1HD   LYS 100          2HD       LYS 100  -2.200  10.776  -4.748
  774   2HD   LYS 100          1HD       LYS 100  -1.520  10.604  -6.352
  775   1HE   LYS 100          2HE       LYS 100  -1.888   8.096  -6.180
  776   2HE   LYS 100          1HE       LYS 100  -2.700   8.360  -4.652
  777   1HZ   LYS 100          1HZ       LYS 100  -4.112   9.980  -5.988
  778   2HZ   LYS 100          2HZ       LYS 100  -3.540   9.212  -7.312
  779   3HZ   LYS 100          3HZ       LYS 100  -4.384   8.380  -6.188
  780    H    THR 101           HN       THR 101   1.364  13.292  -4.880
  781    HA   THR 101           HA       THR 101   4.060  14.020  -4.468
  782    HB   THR 101           HB       THR 101   2.572  14.612  -6.444
  783    HG1  THR 101           HG1      THR 101   4.340  15.988  -6.296
  784   1HG2  THR 101          1HG2      THR 101   1.256  16.796  -6.072
  785   2HG2  THR 101          2HG2      THR 101   0.496  15.332  -5.404
  786   3HG2  THR 101          3HG2      THR 101   1.360  16.456  -4.328
  787    H    MET 102           HN       MET 102   5.084  15.308  -3.020
  788    HA   MET 102           HA       MET 102   3.376  16.252  -0.856
  789   1HB   MET 102          2HB       MET 102   5.668  14.640  -0.840
  790   2HB   MET 102          1HB       MET 102   6.336  16.216  -0.468
  791   1HG   MET 102          2HG       MET 102   4.328  16.364   1.268
  792   2HG   MET 102          1HG       MET 102   4.284  14.620   1.092
  793   1HE   MET 102          1HE       MET 102   6.416  16.788   4.000
  794   2HE   MET 102          2HE       MET 102   6.960  17.604   2.516
  795   3HE   MET 102          3HE       MET 102   5.224  17.344   2.804