*HEADER    TRANSCRIPTION REGULATOR                 25-DEC-14   2MXE              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF MVAT                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MVAT;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN (UNP RESIDUES 77-124);                   
*COMPND   5 SYNONYM: TRANSCRIPTIONAL REGULATOR MVAT, P16 SUBUNIT;                
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1;                    
*SOURCE   3 ORGANISM_TAXID: 208964;                                              
*SOURCE   4 STRAIN: PAO1;                                                        
*SOURCE   5 GENE: MVAT, PA4315;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET21B                                     
*KEYWDS    TRANSCRIPTION REGULATOR                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.DING, B.XIA                                                         
*REVDAT   1   01-JUL-15 2MXE    0                                                


# 764 atoms read from pdb file prm1.pdb.
# 4 VAL PHI:  (3 LYS C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -127.8 -67.8
 &rst     iat =    57,    59,    61,    73,
   r1 = -128.8, r2 = -127.8, r3 = -67.8, r4 = -66.8,
   rk2 =   50.0, rk3 =   50.0,    &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 LYS N) 105.3 165.3
 &rst     iat =    59,    61,    73,    75,
   r1 = 104.3, r2 = 105.3, r3 = 165.3, r4 = 166.3,
 &end

# 5 LYS PHI:  (4 VAL C)-(5 LYS N)-(5 LYS CA)-(5 LYS C) -153.9 -93.9
 &rst     iat =    73,    75,    77,    95,
   r1 = -154.9, r2 = -153.9, r3 = -93.9, r4 = -92.9,
 &end

# 5 LYS PSI:  (5 LYS N)-(5 LYS CA)-(5 LYS C)-(6 GLN N) 106.8 166.8
 &rst     iat =    75,    77,    95,    97,
   r1 = 105.8, r2 = 106.8, r3 = 166.8, r4 = 167.8,
 &end

# 6 GLN PHI:  (5 LYS C)-(6 GLN N)-(6 GLN CA)-(6 GLN C) -147.5 -87.5
 &rst     iat =    95,    97,    99,   112,
   r1 = -148.5, r2 = -147.5, r3 = -87.5, r4 = -86.5,
 &end

# 6 GLN PSI:  (6 GLN N)-(6 GLN CA)-(6 GLN C)-(7 TYR N) 105.0 165.0
 &rst     iat =    97,    99,   112,   114,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 7 TYR PHI:  (6 GLN C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -156.5 -96.5
 &rst     iat =   112,   114,   116,   133,
   r1 = -157.5, r2 = -156.5, r3 = -96.5, r4 = -95.5,
 &end

# 7 TYR PSI:  (7 TYR N)-(7 TYR CA)-(7 TYR C)-(8 LYS N) 105.6 165.6
 &rst     iat =   114,   116,   133,   135,
   r1 = 104.6, r2 = 105.6, r3 = 165.6, r4 = 166.6,
 &end

# 8 LYS PHI:  (7 TYR C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -155.8 -95.8
 &rst     iat =   133,   135,   137,   155,
   r1 = -156.8, r2 = -155.8, r3 = -95.8, r4 = -94.8,
 &end

# 8 LYS PSI:  (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 ASN N)  91.6 151.6
 &rst     iat =   135,   137,   155,   157,
   r1 =  90.6, r2 =  91.6, r3 = 151.6, r4 = 152.6,
 &end

# 9 ASN PHI:  (8 LYS C)-(9 ASN N)-(9 ASN CA)-(9 ASN C) -122.3 -62.3
 &rst     iat =   155,   157,   159,   169,
   r1 = -123.3, r2 = -122.3, r3 = -62.3, r4 = -61.3,
 &end

# 9 ASN PSI:  (9 ASN N)-(9 ASN CA)-(9 ASN C)-(10 PRO N)  89.9 149.9
 &rst     iat =   157,   159,   169,   171,
   r1 =  88.9, r2 =  89.9, r3 = 149.9, r4 = 150.9,
 &end

# 11 HIS PHI:  (10 PRO C)-(11 HIS N)-(11 HIS CA)-(11 HIS C) -105.6 -45.6
 &rst     iat =   183,   185,   187,   201,
   r1 = -106.6, r2 = -105.6, r3 = -45.6, r4 = -44.6,
 &end

# 11 HIS PSI:  (11 HIS N)-(11 HIS CA)-(11 HIS C)-(12 THR N) -54.0   6.0
 &rst     iat =   185,   187,   201,   203,
   r1 = -55.0, r2 = -54.0, r3 =   6.0, r4 =   7.0,
 &end

# 12 THR PHI:  (11 HIS C)-(12 THR N)-(12 THR CA)-(12 THR C) -139.6 -79.6
 &rst     iat =   201,   203,   205,   215,
   r1 = -140.6, r2 = -139.6, r3 = -79.6, r4 = -78.6,
 &end

# 12 THR PSI:  (12 THR N)-(12 THR CA)-(12 THR C)-(13 GLY N) -35.6  24.4
 &rst     iat =   203,   205,   215,   217,
   r1 = -36.6, r2 = -35.6, r3 =  24.4, r4 =  25.4,
 &end

# 13 GLY PHI:  (12 THR C)-(13 GLY N)-(13 GLY CA)-(13 GLY C)  47.2 107.2
 &rst     iat =   215,   217,   219,   222,
   r1 =  46.2, r2 =  47.2, r3 = 107.2, r4 = 108.2,
 &end

# 13 GLY PSI:  (13 GLY N)-(13 GLY CA)-(13 GLY C)-(14 GLU N) -20.2  39.8
 &rst     iat =   217,   219,   222,   224,
   r1 = -21.2, r2 = -20.2, r3 =  39.8, r4 =  40.8,
 &end

# 14 GLU PHI:  (13 GLY C)-(14 GLU N)-(14 GLU CA)-(14 GLU C) -105.8 -45.8
 &rst     iat =   222,   224,   226,   237,
   r1 = -106.8, r2 = -105.8, r3 = -45.8, r4 = -44.8,
 &end

# 14 GLU PSI:  (14 GLU N)-(14 GLU CA)-(14 GLU C)-(15 VAL N) 113.9 173.9
 &rst     iat =   224,   226,   237,   239,
   r1 = 112.9, r2 = 113.9, r3 = 173.9, r4 = 174.9,
 &end

# 15 VAL PHI:  (14 GLU C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -149.0 -89.0
 &rst     iat =   237,   239,   241,   253,
   r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
 &end

# 15 VAL PSI:  (15 VAL N)-(15 VAL CA)-(15 VAL C)-(16 ILE N) 107.4 167.4
 &rst     iat =   239,   241,   253,   255,
   r1 = 106.4, r2 = 107.4, r3 = 167.4, r4 = 168.4,
 &end

# 16 ILE PHI:  (15 VAL C)-(16 ILE N)-(16 ILE CA)-(16 ILE C) -164.2 -104.2
 &rst     iat =   253,   255,   257,   272,
   r1 = -165.2, r2 = -164.2, r3 = -104.2, r4 = -103.2,
 &end

# 16 ILE PSI:  (16 ILE N)-(16 ILE CA)-(16 ILE C)-(17 GLU N) 120.8 180.8
 &rst     iat =   255,   257,   272,   274,
   r1 = 119.8, r2 = 120.8, r3 = 180.8, r4 = 181.8,
 &end

# 17 GLU PHI:  (16 ILE C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -158.4 -98.4
 &rst     iat =   272,   274,   276,   287,
   r1 = -159.4, r2 = -158.4, r3 = -98.4, r4 = -97.4,
 &end

# 17 GLU PSI:  (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 THR N) 111.9 171.9
 &rst     iat =   274,   276,   287,   289,
   r1 = 110.9, r2 = 111.9, r3 = 171.9, r4 = 172.9,
 &end

# 18 THR PHI:  (17 GLU C)-(18 THR N)-(18 THR CA)-(18 THR C) -150.9 -90.9
 &rst     iat =   287,   289,   291,   301,
   r1 = -151.9, r2 = -150.9, r3 = -90.9, r4 = -89.9,
 &end

# 18 THR PSI:  (18 THR N)-(18 THR CA)-(18 THR C)-(19 LYS N) 108.5 168.5
 &rst     iat =   289,   291,   301,   303,
   r1 = 107.5, r2 = 108.5, r3 = 168.5, r4 = 169.5,
 &end

# 20 GLY PHI:  (19 LYS C)-(20 GLY N)-(20 GLY CA)-(20 GLY C)  60.0 179.0
 &rst     iat =   323,   325,   327,   330,
   r1 =  59.0, r2 =  60.0, r3 = 179.0, r4 = 180.0,
 &end

# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 GLY N) -60.0  60.0
 &rst     iat =   325,   327,   330,   332,
   r1 = -61.0, r2 = -60.0, r3 =  60.0, r4 =  61.0,
 &end

# 21 GLY PHI:  (20 GLY C)-(21 GLY N)-(21 GLY CA)-(21 GLY C) -120.0   0.0
 &rst     iat =   330,   332,   334,   337,
   r1 = -121.0, r2 = -120.0, r3 =   0.0, r4 =   1.0,
 &end

# 21 GLY PSI:  (21 GLY N)-(21 GLY CA)-(21 GLY C)-(22 ASN N) 120.0 179.0
 &rst     iat =   332,   334,   337,   339,
   r1 = 119.0, r2 = 120.0, r3 = 179.0, r4 = 180.0,
 &end

# 24 LYS PHI:  (23 HIS C)-(24 LYS N)-(24 LYS CA)-(24 LYS C) -90.3 -30.3
 &rst     iat =   369,   371,   373,   391,
   r1 = -91.3, r2 = -90.3, r3 = -30.3, r4 = -29.3,
 &end

# 24 LYS PSI:  (24 LYS N)-(24 LYS CA)-(24 LYS C)-(25 THR N) -61.2  -1.2
 &rst     iat =   371,   373,   391,   393,
   r1 = -62.2, r2 = -61.2, r3 =  -1.2, r4 =  -0.2,
 &end

# 25 THR PHI:  (24 LYS C)-(25 THR N)-(25 THR CA)-(25 THR C) -93.4 -33.4
 &rst     iat =   391,   393,   395,   405,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 25 THR PSI:  (25 THR N)-(25 THR CA)-(25 THR C)-(26 LEU N) -69.1  -9.1
 &rst     iat =   393,   395,   405,   407,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 26 LEU PHI:  (25 THR C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -93.8 -33.8
 &rst     iat =   405,   407,   409,   424,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end

# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -73.9 -13.9
 &rst     iat =   407,   409,   424,   426,
   r1 = -74.9, r2 = -73.9, r3 = -13.9, r4 = -12.9,
 &end

# 27 LYS PHI:  (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -93.4 -33.4
 &rst     iat =   424,   426,   428,   446,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 GLU N) -67.9  -7.9
 &rst     iat =   426,   428,   446,   448,
   r1 = -68.9, r2 = -67.9, r3 =  -7.9, r4 =  -6.9,
 &end

# 28 GLU PHI:  (27 LYS C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -95.2 -35.2
 &rst     iat =   446,   448,   450,   461,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 28 GLU PSI:  (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 TRP N) -72.3 -12.3
 &rst     iat =   448,   450,   461,   463,
   r1 = -73.3, r2 = -72.3, r3 = -12.3, r4 = -11.3,
 &end

# 29 TRP PHI:  (28 GLU C)-(29 TRP N)-(29 TRP CA)-(29 TRP C) -96.7 -36.7
 &rst     iat =   461,   463,   465,   485,
   r1 = -97.7, r2 = -96.7, r3 = -36.7, r4 = -35.7,
 &end

# 29 TRP PSI:  (29 TRP N)-(29 TRP CA)-(29 TRP C)-(30 LYS N) -72.7 -12.7
 &rst     iat =   463,   465,   485,   487,
   r1 = -73.7, r2 = -72.7, r3 = -12.7, r4 = -11.7,
 &end

# 30 LYS PHI:  (29 TRP C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -91.0 -31.0
 &rst     iat =   485,   487,   489,   507,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 ALA N) -73.3 -13.3
 &rst     iat =   487,   489,   507,   509,
   r1 = -74.3, r2 = -73.3, r3 = -13.3, r4 = -12.3,
 &end

# 31 ALA PHI:  (30 LYS C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -92.8 -32.8
 &rst     iat =   507,   509,   511,   517,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LYS N) -70.9 -10.9
 &rst     iat =   509,   511,   517,   519,
   r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 =  -9.9,
 &end

# 32 LYS PHI:  (31 ALA C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -98.0 -38.0
 &rst     iat =   517,   519,   521,   539,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 TRP N) -67.1  -7.1
 &rst     iat =   519,   521,   539,   541,
   r1 = -68.1, r2 = -67.1, r3 =  -7.1, r4 =  -6.1,
 &end

# 36 GLU PHI:  (35 PRO C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) -93.2 -33.2
 &rst     iat =   584,   586,   588,   599,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end

# 36 GLU PSI:  (36 GLU N)-(36 GLU CA)-(36 GLU C)-(37 ALA N) -63.6  -3.6
 &rst     iat =   586,   588,   599,   601,
   r1 = -64.6, r2 = -63.6, r3 =  -3.6, r4 =  -2.6,
 &end

# 37 ALA PHI:  (36 GLU C)-(37 ALA N)-(37 ALA CA)-(37 ALA C) -94.4 -34.4
 &rst     iat =   599,   601,   603,   609,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end

# 37 ALA PSI:  (37 ALA N)-(37 ALA CA)-(37 ALA C)-(38 VAL N) -74.1 -14.1
 &rst     iat =   601,   603,   609,   611,
   r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1,
 &end

# 38 VAL PHI:  (37 ALA C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -97.1 -37.1
 &rst     iat =   609,   611,   613,   625,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 GLU N) -70.8 -10.8
 &rst     iat =   611,   613,   625,   627,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end

# 39 GLU PHI:  (38 VAL C)-(39 GLU N)-(39 GLU CA)-(39 GLU C) -93.2 -33.2
 &rst     iat =   625,   627,   629,   640,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end

# 39 GLU PSI:  (39 GLU N)-(39 GLU CA)-(39 GLU C)-(40 SER N) -70.3 -10.3
 &rst     iat =   627,   629,   640,   642,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end

# 40 SER PHI:  (39 GLU C)-(40 SER N)-(40 SER CA)-(40 SER C) -101.1 -41.1
 &rst     iat =   640,   642,   644,   651,
   r1 = -102.1, r2 = -101.1, r3 = -41.1, r4 = -40.1,
 &end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 TRP N) -56.5   3.5
 &rst     iat =   642,   644,   651,   653,
   r1 = -57.5, r2 = -56.5, r3 =   3.5, r4 =   4.5,
 &end

# 42 ALA PHI:  (41 TRP C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -120.4 -60.4
 &rst     iat =   675,   677,   679,   685,
   r1 = -121.4, r2 = -120.4, r3 = -60.4, r4 = -59.4,
 &end

# 42 ALA PSI:  (42 ALA N)-(42 ALA CA)-(42 ALA C)-(43 THR N) 109.7 169.7
 &rst     iat =   677,   679,   685,   687,
   r1 = 108.7, r2 = 109.7, r3 = 169.7, r4 = 170.7,
 &end

# 43 THR PHI:  (42 ALA C)-(43 THR N)-(43 THR CA)-(43 THR C) -139.0 -79.0
 &rst     iat =   685,   687,   689,   699,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end

# 43 THR PSI:  (43 THR N)-(43 THR CA)-(43 THR C)-(44 LEU N)  97.3 157.3
 &rst     iat =   687,   689,   699,   701,
   r1 =  96.3, r2 =  97.3, r3 = 157.3, r4 = 158.3,
 &end

# 764 atoms read from pdb file prm1.pdb.
# 22 ASN PHI:  (21 GLY C)-(22 ASN N)-(22 ASN CA)-(22 ASN C) -140.4 -49.7
 &rst     iat =   337,   339,   341,   351,
   r1 = -141.4, r2 = -140.4, r3 = -49.7, r4 = -48.7,
   rk2 =   200.0, rk3 =   200.0,    &end

# 22 ASN PSI:  (22 ASN N)-(22 ASN CA)-(22 ASN C)-(23 HIS N)  83.9 156.9
 &rst     iat =   339,   341,   351,   353,
   r1 =  82.9, r2 =  83.9, r3 = 156.9, r4 = 157.9,
 &end

# 23 HIS PHI:  (22 ASN C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -109.7 -43.5
 &rst     iat =   351,   353,   355,   369,
   r1 = -110.7, r2 = -109.7, r3 = -43.5, r4 = -42.5,
 &end

# 23 HIS PSI:  (23 HIS N)-(23 HIS CA)-(23 HIS C)-(24 LYS N)  94.1 158.4
 &rst     iat =   353,   355,   369,   371,
   r1 =  93.1, r2 =  94.1, r3 = 158.4, r4 = 159.4,
 &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=20,26,24,25, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,35,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=39,44,42,43, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=41,47,45,46, &end
#
#  chirality for residue 3 atoms:  CD NZ HE2 HE3
 &rst iat=47,53,51,52, &end
#
#  chirality for residue 3 atoms:  CG CE HD2 HD3
 &rst iat=44,50,48,49, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=37,57,40,41, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=61,65,69,64, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=59,73,62,63, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=77,82,80,81, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=79,85,83,84, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=85,91,89,90, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=82,88,86,87, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=75,95,78,79, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=101,107,105,106, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=97,112,100,101, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=114,133,117,118, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=137,142,140,141, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=139,145,143,144, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=145,151,149,150, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=142,148,146,147, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=135,155,138,139, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=159,164,162,163, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=157,169,160,161, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=181,175,179,180, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=178,172,176,177, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=175,171,173,174, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=171,183,182,178, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=185,201,188,189, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=205,209,213,208, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=203,215,206,207, &end
#
#  chirality for residue 13 atoms:  N C HA2 HA3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=226,231,229,230, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=228,234,232,233, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=224,237,227,228, &end
#
#  chirality for residue 15 atoms:  CA CG1 CG2 HB
 &rst iat=241,245,249,244, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=239,253,242,243, &end
#
#  chirality for residue 16 atoms:  CA CG2 CG1 HB
 &rst iat=257,261,265,260, &end
#
#  chirality for residue 16 atoms:  CB CD1 HG12 HG13
 &rst iat=259,268,266,267, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=255,272,258,259, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=276,281,279,280, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=274,287,277,278, &end
#
#  chirality for residue 18 atoms:  CA CG2 OG1 HB
 &rst iat=291,295,299,294, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=289,301,292,293, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=305,310,308,309, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=307,313,311,312, &end
#
#  chirality for residue 19 atoms:  CD NZ HE2 HE3
 &rst iat=313,319,317,318, &end
#
#  chirality for residue 19 atoms:  CG CE HD2 HD3
 &rst iat=310,316,314,315, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=303,323,306,307, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=325,330,328,329, &end
#
#  chirality for residue 21 atoms:  N C HA2 HA3
 &rst iat=332,337,335,336, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=341,346,344,345, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=339,351,342,343, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=355,360,358,359, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=353,369,356,357, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=375,381,379,380, &end
#
#  chirality for residue 24 atoms:  CD NZ HE2 HE3
 &rst iat=381,387,385,386, &end
#
#  chirality for residue 24 atoms:  CG CE HD2 HD3
 &rst iat=378,384,382,383, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=371,391,374,375, &end
#
#  chirality for residue 25 atoms:  CA CG2 OG1 HB
 &rst iat=395,399,403,398, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=393,405,396,397, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=409,414,412,413, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=411,416,420,415, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=407,424,410,411, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=430,436,434,435, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=436,442,440,441, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=433,439,437,438, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=426,446,429,430, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=450,455,453,454, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=452,458,456,457, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=448,461,451,452, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=463,485,466,467, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=491,497,495,496, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=494,500,498,499, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=487,507,490,491, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=509,517,512,513, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=523,529,527,528, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=529,535,533,534, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=526,532,530,531, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=519,539,522,523, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=543,548,546,547, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=541,563,544,545, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=565,570,568,569, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=582,576,580,581, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=579,573,577,578, &end
#
#  chirality for residue 35 atoms:  CG N HD2 HD3
 &rst iat=576,572,574,575, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=572,584,583,579, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=588,593,591,592, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=590,596,594,595, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=586,599,589,590, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=601,609,604,605, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=613,617,621,616, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=611,625,614,615, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=629,634,632,633, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=631,637,635,636, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=627,640,630,631, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=642,651,645,646, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=655,660,658,659, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=653,675,656,657, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=677,685,680,681, &end
#
#  chirality for residue 43 atoms:  CA CG2 OG1 HB
 &rst iat=689,693,697,692, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=687,699,690,691, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=703,708,706,707, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=705,710,714,709, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=701,718,704,705, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=722,727,725,726, &end
#
#  chirality for residue 45 atoms:  CB CD1 CD2 HG
 &rst iat=724,729,733,728, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=720,737,723,724, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=739,744,742,743, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=748,753,751,752, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=746,762,749,750, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=39,37,35,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=61,59,57,39, &end
#
#  trans-omega constraint for residue 5
 &rst iat=77,75,73,61, &end
#
#  trans-omega constraint for residue 6
 &rst iat=99,97,95,77, &end
#
#  trans-omega constraint for residue 7
 &rst iat=116,114,112,99, &end
#
#  trans-omega constraint for residue 8
 &rst iat=137,135,133,116, &end
#
#  trans-omega constraint for residue 9
 &rst iat=159,157,155,137, &end
#
#  trans-omega constraint for residue 10
 &rst iat=181,171,169,159, &end
#
#  trans-omega constraint for residue 11
 &rst iat=187,185,183,181, &end
#
#  trans-omega constraint for residue 12
 &rst iat=205,203,201,187, &end
#
#  trans-omega constraint for residue 13
 &rst iat=219,217,215,205, &end
#
#  trans-omega constraint for residue 14
 &rst iat=226,224,222,219, &end
#
#  trans-omega constraint for residue 15
 &rst iat=241,239,237,226, &end
#
#  trans-omega constraint for residue 16
 &rst iat=257,255,253,241, &end
#
#  trans-omega constraint for residue 17
 &rst iat=276,274,272,257, &end
#
#  trans-omega constraint for residue 18
 &rst iat=291,289,287,276, &end
#
#  trans-omega constraint for residue 19
 &rst iat=305,303,301,291, &end
#
#  trans-omega constraint for residue 20
 &rst iat=327,325,323,305, &end
#
#  trans-omega constraint for residue 21
 &rst iat=334,332,330,327, &end
#
#  trans-omega constraint for residue 22
 &rst iat=341,339,337,334, &end
#
#  trans-omega constraint for residue 23
 &rst iat=355,353,351,341, &end
#
#  trans-omega constraint for residue 24
 &rst iat=373,371,369,355, &end
#
#  trans-omega constraint for residue 25
 &rst iat=395,393,391,373, &end
#
#  trans-omega constraint for residue 26
 &rst iat=409,407,405,395, &end
#
#  trans-omega constraint for residue 27
 &rst iat=428,426,424,409, &end
#
#  trans-omega constraint for residue 28
 &rst iat=450,448,446,428, &end
#
#  trans-omega constraint for residue 29
 &rst iat=465,463,461,450, &end
#
#  trans-omega constraint for residue 30
 &rst iat=489,487,485,465, &end
#
#  trans-omega constraint for residue 31
 &rst iat=511,509,507,489, &end
#
#  trans-omega constraint for residue 32
 &rst iat=521,519,517,511, &end
#
#  trans-omega constraint for residue 33
 &rst iat=543,541,539,521, &end
#
#  trans-omega constraint for residue 34
 &rst iat=567,565,563,543, &end
#
#  trans-omega constraint for residue 35
 &rst iat=582,572,570,567, &end
#
#  trans-omega constraint for residue 36
 &rst iat=588,586,584,582, &end
#
#  trans-omega constraint for residue 37
 &rst iat=603,601,599,588, &end
#
#  trans-omega constraint for residue 38
 &rst iat=613,611,609,603, &end
#
#  trans-omega constraint for residue 39
 &rst iat=629,627,625,613, &end
#
#  trans-omega constraint for residue 40
 &rst iat=644,642,640,629, &end
#
#  trans-omega constraint for residue 41
 &rst iat=655,653,651,644, &end
#
#  trans-omega constraint for residue 42
 &rst iat=679,677,675,655, &end
#
#  trans-omega constraint for residue 43
 &rst iat=689,687,685,679, &end
#
#  trans-omega constraint for residue 44
 &rst iat=703,701,699,689, &end
#
#  trans-omega constraint for residue 45
 &rst iat=722,720,718,703, &end
#
#  trans-omega constraint for residue 46
 &rst iat=741,739,737,722, &end
#
#  trans-omega constraint for residue 47
 &rst iat=748,746,744,741, &end
# 764 atoms read from pdb file prm1.pdb.
# 19 LYS CHI2:  (19 LYS CA)-(19 LYS CB)-(19 LYS CG)-(19 LYS CD) 170.0 190.0
 &rst     iat =   305,   307,   310,   313,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 27 LYS CHI1:  (27 LYS N)-(27 LYS CA)-(27 LYS CB)-(27 LYS CG) 180.0 240.0
 &rst     iat =   426,   428,   430,   433,
   r1 = 179.0, r2 = 180.0, r3 = 240.0, r4 = 241.0,
 &end

# 11 HIS CHI1:  (11 HIS N)-(11 HIS CA)-(11 HIS CB)-(11 HIS CG) 270.0 330.0
 &rst     iat =   185,   187,   189,   192,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 15 VAL CHI1:  (15 VAL N)-(15 VAL CA)-(15 VAL CB)-(15 VAL CG1) 150.0 210.0
 &rst     iat =   239,   241,   243,   245,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ASN CHI1:  (22 ASN N)-(22 ASN CA)-(22 ASN CB)-(22 ASN CG) 150.0 210.0
 &rst     iat =   339,   341,   343,   346,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 24 LYS CHI1:  (24 LYS N)-(24 LYS CA)-(24 LYS CB)-(24 LYS CG) 150.0 210.0
 &rst     iat =   371,   373,   375,   378,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 44 LEU CHI1:  (44 LEU N)-(44 LEU CA)-(44 LEU CB)-(44 LEU CG) 270.0 330.0
 &rst     iat =   701,   703,   705,   708,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 14 GLU CHI2:  (14 GLU CA)-(14 GLU CB)-(14 GLU CG)-(14 GLU CD) 150.0 210.0
 &rst     iat =   226,   228,   231,   234,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 26 LEU CHI2:  (26 LEU CA)-(26 LEU CB)-(26 LEU CG)-(26 LEU CD1)  30.0  90.0
 &rst     iat =   409,   411,   414,   416,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 28 GLU CHI2:  (28 GLU CA)-(28 GLU CB)-(28 GLU CG)-(28 GLU CD) 150.0 210.0
 &rst     iat =   450,   452,   455,   458,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI2:  (32 LYS CA)-(32 LYS CB)-(32 LYS CG)-(32 LYS CD) 150.0 210.0
 &rst     iat =   521,   523,   526,   529,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 36 GLU CHI2:  (36 GLU CA)-(36 GLU CB)-(36 GLU CG)-(36 GLU CD) 150.0 210.0
 &rst     iat =   588,   590,   593,   596,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 GLU CHI2:  (17 GLU CA)-(17 GLU CB)-(17 GLU CG)-(17 GLU CD) 150.0 210.0
 &rst     iat =   276,   278,   281,   284,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ASN CHI2:  (22 ASN CA)-(22 ASN CB)-(22 ASN CG)-(22 ASN OD1)   0.0  90.0
 &rst     iat =   341,   343,   346,   347,
   r1 =  -1.0, r2 =   0.0, r3 =  90.0, r4 =  91.0,
 &end

# 2 ARG CHI1:  (2 ARG N)-(2 ARG CA)-(2 ARG CB)-(2 ARG CG) 270.0 330.0
 &rst     iat =    13,    15,    17,    20,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

#
#  5 LYS  HN      18 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 302, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 18 THR  HN       5 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  96, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  7 TYR  HN      16 ILE  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 273, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 ILE  HN       7 TYR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 134, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  9 ASN  HN      14 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 238, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  6 GLN  HN      43 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 700, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 43 THR  HN       6 GLN  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 113, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 41 TRP  HN      37 ALA  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 610, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 40 SER  HN      36 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 600, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 39 GLU  HN      35 PRO  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 585, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 32 LYS  HN      28 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 462, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 ALA  HN      27 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 447, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 30 LYS  HN      26 LEU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 425, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 29 TRP  HN      25 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 406, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 28 GLU  HN      24 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 392, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 45 LEU  HN       4 VAL  O       1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  74, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  5 LYS  N      18 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 302, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 THR  N       5 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  96, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  7 TYR  N      16 ILE  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 273, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 ILE  N       7 TYR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 134, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  9 ASN  N      14 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 238, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  6 GLN  N      43 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 700, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 43 THR  N       6 GLN  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 113, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 41 TRP  N      37 ALA  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 610, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 40 SER  N      36 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 600, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 39 GLU  N      35 PRO  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 585, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 32 LYS  N      28 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 462, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 ALA  N      27 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 447, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 30 LYS  N      26 LEU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 425, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 29 TRP  N      25 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 406, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 28 GLU  N      24 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 392, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 45 LEU  N       4 VAL  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  74, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#    4 VAL  MGY           3 LYS  HA          3.50    (#      0:20  Unique         3.06, 5.22 A)
 &rst
  ixpk= 0, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    3 LYS  HG+           3 LYS  HA          2.60    (#      1:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  45,  46,
 &end
#
#    0 AMB  20-2:2        0 AMB  20-1:2      2.60    (#      2:20  Double Ambig)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  45,  46,
 &end
#
#    0 AMB  20-2:3        0 AMB  20-1:3      2.20    (#      3:20  Double Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  18,  19,  42,  43,
 igr2=  16,  40,
 &end
#
#    2 ARG  HB+           2 ARG  HA          2.20    (#      4:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1=  18,  19,
 &end
#
#    4 VAL  HN            3 LYS  HA          2.20    (#      5:20  Unique         1.95, 2.10 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  60,  40, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    3 LYS  HN            0 AMB  20-1:6      2.60    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  16,  40,
 &end
#
#    0 AMB  20-2:7        0 AMB  20-1:7      3.50    (#      7:20  Double Ambig)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  24,  25,  24,  25,
 igr2=  16,  40,
 &end
#
#    0 AMB  20-2:10       0 AMB  20-1:10     2.60    (#     10:20  Double Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:11       0 AMB  20-1:11     2.60    (#     11:20  Double Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 317, 318, 317, 318,  51,  52,  51,  52,
 igr2= 311, 312, 311, 312,  45,  46,
 &end
#
#    0 AMB  20-2:12       0 AMB  20-1:12     2.20    (#     12:20  Double Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 317, 318, 317, 318, 317, 318,
 igr2= 314, 315, 314, 315, 314, 315,
 &end
#
#    2 ARG  HG-           2 ARG  HA          2.20    (#     13:20  Unique         2.30, 2.70 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1=  21,  22,
 &end
#
#    0 AMB  20-2:15       0 AMB  20-1:15     2.20    (#     15:20  Double Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 382, 383, 382, 383, 382, 383,  48,  49,  48,  49,
        48,  49, 437, 438, 437, 438, 382, 383,
 igr2= 385, 386, 385, 386, 385, 386,  51,  52,  51,  52,
        51,  52, 440, 441, 440, 441, 440, 441,
 &end
#
#    0 AMB  20-2:16       0 AMB  20-1:16     2.60    (#     16:20  Double Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 379, 380, 379, 380, 311, 312,  45,  46,
 igr2= 385, 386, 385, 386, 317, 318, 317, 318,  51,  52,
        51,  52,
 &end
#
#    2 ARG  HA            2 ARG  HB+         2.60    (#     19:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  18,  19,
 &end
#
#    2 ARG  HA            2 ARG  HB-         2.60    (#     20:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:21       0 AMB  20-1:21     2.60    (#     21:20  Double Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  24,  25,  24,  25,
 igr2=  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:22       2 ARG  HB-         2.60    (#     22:20  Single Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  24,  25,  24,  25,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:23       0 AMB  20-1:23     6.00    (#     23:20  Double Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  14,  38,
 igr2=  18,  19,  18,  19,
 &end
#
#    2 ARG  HN            2 ARG  HB-         3.50    (#     24:20  Unique         2.42, 3.20 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:25       0 AMB  20-1:25     3.50    (#     25:20  Double Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  16,   6,
 igr2=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:26       2 ARG  HG-         2.60    (#     26:20  Single Ambig)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  16,   6,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:27       2 ARG  HG-         2.20    (#     27:20  Single Ambig)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  24,  25,  24,  25,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:28       0 AMB  20-1:28     2.60    (#     28:20  Double Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  24,  25,  24,  25,
 igr2=  21,  22,  21,  22,
 &end
#
#    2 ARG  HG-           0 AMB  20-1:29     2.20    (#     29:20  Single Ambig)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  21,  22,
 igr2=  24,  25,  24,  25,
 &end
#
#    2 ARG  HB-           0 AMB  20-1:30     2.20    (#     30:20  Single Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  18,  19,
 igr2=  24,  25,  24,  25,
 &end
#
#    0 AMB  20-2:31       0 AMB  20-1:31     2.60    (#     31:20  Double Ambig)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  18,  19,  18,  19,
 igr2=  24,  25,  24,  25,
 &end
#
#    0 AMB  20-2:32       0 AMB  20-1:32     3.50    (#     32:20  Double Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  16,   6,
 igr2=  24,  25,  24,  25,  24,  25,
 &end
#
#    1 ALA  MB            1 ALA  HA          2.20    (#     33:20  Unique         2.45, 2.67 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1=   8,   9,  10,
 &end
#
#    0 AMB  20-2:34       1 ALA  HA          3.50    (#     34:20  Single Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  42,  43,  21,  22,
 &end
#
#    2 ARG  HN            1 ALA  HA          2.60    (#     35:20  Unique         2.13, 2.47 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  14,   6, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    1 ALA  HA            1 ALA  MB          2.60    (#     36:20  Unique         2.45, 2.67 A)
 &rst
  ixpk= 36, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:37       1 ALA  MB          3.50    (#     37:20  Single Ambig)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  14,   2,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:39       0 AMB  20-1:39     2.20    (#     39:20  Double Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=  21,  22,  48,  49,  48,  49,
 igr2=  18,  19,  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:40       2 ARG  HB-         2.20    (#     40:20  Single Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=  21,  22,  48,  49,  48,  49,
 igr2=  18,  19,
 &end
#
#    2 ARG  HB+           2 ARG  HG-         2.20    (#     41:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    2 ARG  HB+           2 ARG  HG+         2.20    (#     42:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:43       3 LYS  HA          6.00    (#     43:20  Single Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  64,  40, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 LYS  HA            3 LYS  HB-         2.60    (#     44:20  Unique         2.53, 2.82 A)
 &rst
  ixpk= 44, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  42,  43,
 &end
#
#    3 LYS  HA            3 LYS  HB+         2.60    (#     45:20  Unique         2.53, 2.82 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  42,  43,
 &end
#
#    4 VAL  HN            3 LYS  HB+         3.50    (#     46:20  Unique         2.31, 3.10 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  42,  43,
 &end
#
#    4 VAL  HN            3 LYS  HB-         3.50    (#     47:20  Unique         2.31, 3.10 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  42,  43,
 &end
#
#    0 AMB  20-2:48       0 AMB  20-1:48     3.50    (#     48:20  Double Ambig)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  38, 721,
 igr2=  42,  43,  42,  43,
 &end
#
#    0 AMB  20-2:49       3 LYS  HB-         3.50    (#     49:20  Single Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  38, 721,
 igr2=  42,  43,
 &end
#
#    0 AMB  20-2:50       0 AMB  20-1:50     2.60    (#     50:20  Double Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  45,  46,   8,   9,  10,
 igr2=  42,  43,  42,  43,
 &end
#
#    0 AMB  20-2:51       3 LYS  HB-         2.60    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  45,  46,   8,   9,  10,
 igr2=  42,  43,
 &end
#
#    3 LYS  HG-           3 LYS  HB+         2.20    (#     52:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  45,  46,
 igr2=  42,  43,
 &end
#
#    3 LYS  HG-           3 LYS  HB-         2.20    (#     53:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  45,  46,
 igr2=  42,  43,
 &end
#
#   44 LEU  MDY           3 LYS  HB-         3.50    (#     54:20  Unique         2.46, 4.67 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2=  42,  43,
 &end
#
#   44 LEU  MDY           3 LYS  HB+         3.50    (#     55:20  Unique         2.46, 4.67 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2=  42,  43,
 &end
#
#    3 LYS  HA            3 LYS  HG+         3.50    (#     56:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:57       0 AMB  20-1:57     3.50    (#     57:20  Double Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  51,  52,  51,  52,
 igr2=  45,  46,  45,  46,
 &end
#
#    0 AMB  20-2:59       0 AMB  20-1:59     2.20    (#     59:20  Double Ambig)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 308, 309, 431, 432, 431, 432,
 igr2= 311, 312, 434, 435,
 &end
#
#    3 LYS  HB+           3 LYS  HG+         2.20    (#     60:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  42,  43,
 igr2=  45,  46,
 &end
#
#    3 LYS  HB+           3 LYS  HG-         2.20    (#     61:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  42,  43,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:62       0 AMB  20-1:62     2.20    (#     62:20  Double Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1=  48,  49,  48,  49,
 igr2=  45,  46,  45,  46,
 &end
#
#    0 AMB  20-2:63       3 LYS  HG-         2.20    (#     63:20  Single Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  48,  49,  48,  49,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:64       0 AMB  20-1:64     2.20    (#     64:20  Double Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 385, 386, 385, 386, 385, 386,  51,  52,  51,  52,
        51,  52, 440, 441, 440, 441, 440, 441,
 igr2= 382, 383, 382, 383, 382, 383,  48,  49,  48,  49,
        48,  49, 437, 438, 437, 438, 382, 383,
 &end
#
#    0 AMB  20-2:65       0 AMB  20-1:65     2.60    (#     65:20  Double Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 379, 380,  45,  46,  45,  46,   8,   9,  10,
 igr2= 382, 383, 382, 383,  48,  49,  48,  49,  48,  49,
      
 &end
#
#    0 AMB  20-2:66       0 AMB  20-1:66     2.20    (#     66:20  Double Ambig)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 379, 380, 379, 380,  45,  46,
 igr2= 382, 383, 382, 383,  48,  49,  48,  49,
 &end
#
#    4 VAL  HN            4 VAL  HA          3.50    (#     67:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 LYS  HN            4 VAL  HA          2.20    (#     68:20  Unique         2.10, 2.14 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  76,  62, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  20-2:71       4 VAL  HA          3.50    (#     71:20  Single Ambig)
 &rst
  ixpk= 71, nxpk= 20, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 LYS  HB-           4 VAL  HA          6.00    (#     72:20  Unique         3.07, 4.76 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 308, 309,
 &end
#
#    0 AMB  20-2:73       4 VAL  HA          6.00    (#     73:20  Single Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  80,  81,  42,  43,
 &end
#
#    0 AMB  20-2:74       4 VAL  HA          2.60    (#     74:20  Single Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 311, 312, 311, 312,
 &end
#
#   18 THR  MG2           4 VAL  HA          6.00    (#     75:20  Unique         5.26, 6.34 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 296, 297, 298,
 &end
#
#    4 VAL  MGX           4 VAL  HA          2.20    (#     76:20  Unique         2.40, 3.18 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HN            4 VAL  HB          2.60    (#     77:20  Unique         1.98, 2.07 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  60,  64, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:78       0 AMB  20-1:78     3.50    (#     78:20  Double Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat= 721,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:80       0 AMB  20-1:80     6.00    (#     80:20  Double Ambig)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  40, 723,
 &end
#
#    4 VAL  HA            0 AMB  20-1:81     3.50    (#     81:20  Single Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:82       0 AMB  20-1:82     6.00    (#     82:20  Double Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 317, 318, 317, 318,
 igr2= 308, 309, 308, 309,
 &end
#
#   45 LEU  HB+           4 VAL  HB          3.50    (#     83:20  Unique         2.46, 3.52 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 725, 726,
 &end
#
#   19 LYS  HG+          19 LYS  HB+         3.50    (#     84:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#   19 LYS  HG-          19 LYS  HB+         2.60    (#     85:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#    0 AMB  20-2:86       0 AMB  20-1:86     2.20    (#     86:20  Double Ambig)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HN            4 VAL  MGY         2.60    (#     87:20  Unique         2.77, 4.00 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:88       0 AMB  20-1:88     2.60    (#     88:20  Double Ambig)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  62, 227,
 igr2=  66,  67,  68,  70,  71,  72, 246, 247, 248, 250,
       251, 252,
 &end
#
#    4 VAL  HA            4 VAL  MGX         2.60    (#     89:20  Unique         2.40, 3.18 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:90       0 AMB  20-1:90     2.20    (#     90:20  Double Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  64, 244, 279, 280, 279, 280,
 igr2=  66,  67,  68,  70,  71,  72, 246, 247, 248, 250,
       251, 252,
 &end
#
#    0 AMB  20-2:91       0 AMB  20-1:91     2.20    (#     91:20  Double Ambig)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  64, 244, 279, 280, 279, 280,
 igr2=  66,  67,  68,  70,  71,  72, 246, 247, 248, 250,
       251, 252,
 &end
#
#    0 AMB  20-2:92       4 VAL  MGX         2.60    (#     92:20  Single Ambig)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  76, 721,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   16 ILE  HN           15 VAL  MGX         2.60    (#     93:20  Unique         2.64, 4.09 A)
 &rst
  ixpk= 93, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:95       0 AMB  20-1:95     2.60    (#     95:20  Double Ambig)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 105, 106, 282, 283, 282, 283,
 igr2= 246, 247, 248, 250, 251, 252,  66,  67,  68,  70,
        71,  72,
 &end
#
#    5 LYS  HN            5 LYS  HB+         2.60    (#     96:20  Unique         2.29, 2.97 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  80,  81,
 &end
#
#    5 LYS  HN            5 LYS  HB-         3.50    (#     97:20  Unique         2.29, 2.97 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:98       0 AMB  20-1:98     3.50    (#     98:20  Double Ambig)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  98, 688,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:99       5 LYS  HB-         3.50    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98, 688,
 igr2=  80,  81,
 &end
#
#    7 TYR  HE            5 LYS  HB+         3.50    (#    100:20  Unique         2.48, 4.01 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 125, 130,
 igr2=  80,  81,
 &end
#
#    7 TYR  HE            5 LYS  HB-         3.50    (#    101:20  Unique         2.48, 4.01 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 125, 130,
 igr2=  80,  81,
 &end
#
#    7 TYR  HD            5 LYS  HB+         6.00    (#    102:20  Unique         3.64, 5.17 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2=  80,  81,
 &end
#
#    4 VAL  HA            5 LYS  HB+         6.00    (#    105:20  Unique         4.10, 4.92 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:106      0 AMB  20-1:106    6.00    (#    106:20  Double Ambig)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  89,  90,  89,  90,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:107      5 LYS  HB-         3.50    (#    107:20  Single Ambig)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  89,  90,  89,  90,
 igr2=  80,  81,
 &end
#
#    5 LYS  HG-           5 LYS  HB+         2.60    (#    108:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    5 LYS  HG-           5 LYS  HB-         2.60    (#    109:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    5 LYS  HG+           5 LYS  HB+         2.60    (#    110:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    5 LYS  HG+           5 LYS  HB-         2.20    (#    111:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:112      0 AMB  20-1:112    3.50    (#    112:20  Double Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:113      5 LYS  HB-         3.50    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:115      0 AMB  20-1:115    3.50    (#    115:20  Double Ambig)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  76, 721,
 igr2=  83,  84,  83,  84,
 &end
#
#    0 AMB  20-2:116      5 LYS  HG-         6.00    (#    116:20  Single Ambig)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  76, 721,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:117      5 LYS  HG-         6.00    (#    117:20  Single Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 688,  98,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:118      0 AMB  20-1:118    6.00    (#    118:20  Double Ambig)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 688,  98,
 igr2=  83,  84,  83,  84,
 &end
#
#   44 LEU  HA            5 LYS  HG-         3.50    (#    119:20  Unique         2.62, 3.34 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  83,  84,
 &end
#
#   44 LEU  HA            5 LYS  HG+         6.00    (#    120:20  Unique         2.62, 3.34 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:123      0 AMB  20-1:123    3.50    (#    123:20  Double Ambig)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  89,  90,  89,  90,
 igr2=  83,  84,  83,  84,
 &end
#
#    0 AMB  20-2:124      5 LYS  HG-         3.50    (#    124:20  Single Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  89,  90,  89,  90,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:125      5 LYS  HG-         2.60    (#    125:20  Single Ambig)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  80,  81, 706, 707,
 igr2=  83,  84,
 &end
#
#    5 LYS  HB+           5 LYS  HG-         2.60    (#    126:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:127      5 LYS  HG-         3.50    (#    127:20  Single Ambig)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 711, 712, 713, 715, 716, 717, 682, 683, 684,
 igr2=  83,  84,
 &end
#
#   42 ALA  MB            5 LYS  HG+         3.50    (#    128:20  Unique         2.89, 4.65 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 682, 683, 684,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:129      0 AMB  20-1:129    6.00    (#    129:20  Double Ambig)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  76, 721,
 igr2=  86,  87,  86,  87,
 &end
#
#    7 TYR  HE            0 AMB  20-1:130    6.00    (#    130:20  Single Ambig)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 125, 130,
 igr2=  86,  87,  86,  87,
 &end
#
#    0 AMB  20-2:132      0 AMB  20-1:132    2.60    (#    132:20  Double Ambig)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  89,  90,  89,  90,  89,  90,
 igr2=  86,  87,  86,  87,  86,  87,
 &end
#
#   42 ALA  MB            0 AMB  20-1:133    2.60    (#    133:20  Single Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 682, 683, 684,
 igr2=  86,  87,  86,  87,
 &end
#
#    5 LYS  HG-           0 AMB  20-1:134    2.60    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  83,  84,
 igr2=  86,  87,  86,  87,
 &end
#
#    0 AMB  20-2:135      0 AMB  20-1:135    2.60    (#    135:20  Double Ambig)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  83,  84,  83,  84,
 igr2=  86,  87,  86,  87,
 &end
#
#    7 TYR  HE            0 AMB  20-1:136    6.00    (#    136:20  Single Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 125, 130,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:137      0 AMB  20-1:137    2.60    (#    137:20  Double Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  83,  84,  83,  84,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:138      0 AMB  20-1:138    3.50    (#    138:20  Double Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 706, 707,  80,  81,
 igr2=  89,  90,  89,  90,  89,  90,
 &end
#
#   44 LEU  HG            0 AMB  20-1:139    2.60    (#    139:20  Single Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:140      0 AMB  20-1:140    3.50    (#    140:20  Double Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  80,  81,  80,  81,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:141      0 AMB  20-1:141    2.60    (#    141:20  Double Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 711, 712, 713, 715, 716, 717, 682, 683, 684,
 igr2=  89,  90,  89,  90,  89,  90,
 &end
#
#    5 LYS  HG-           0 AMB  20-1:142    2.60    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  83,  84,
 igr2=  89,  90,  89,  90,
 &end
#
#    6 GLN  HB-           6 GLN  HA          2.60    (#    143:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 102, 103,
 &end
#
#    0 AMB  20-2:144      6 GLN  HA          2.60    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 102, 103, 105, 106,
 &end
#
#    0 AMB  20-2:145      6 GLN  HA          2.60    (#    145:20  Single Ambig)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 282, 283, 105, 106,
 &end
#
#    7 TYR  HD            6 GLN  HA          3.50    (#    146:20  Unique         3.27, 5.06 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 132,
 &end
#
#    7 TYR  HN            6 GLN  HA          2.20    (#    147:20  Unique         2.24, 2.24 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 115, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    7 TYR  HN            6 GLN  HB+         6.00    (#    148:20  Unique         3.93, 4.11 A)
 &rst
  ixpk= 148, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    7 TYR  HN            6 GLN  HB-         6.00    (#    149:20  Unique         3.93, 4.11 A)
 &rst
  ixpk= 149, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:150      0 AMB  20-1:150    3.50    (#    150:20  Double Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  98, 688,
 igr2= 102, 103, 102, 103,
 &end
#
#    0 AMB  20-2:151      6 GLN  HB-         3.50    (#    151:20  Single Ambig)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98, 688,
 igr2= 102, 103,
 &end
#
#    6 GLN  HE2+          6 GLN  HB+         6.00    (#    152:20  Unique         2.30, 3.50 A)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 102, 103,
 &end
#
#    6 GLN  HE2+          6 GLN  HB-         6.00    (#    153:20  Unique         2.30, 3.50 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 102, 103,
 &end
#
#    6 GLN  HA            6 GLN  HB-         2.60    (#    154:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 102, 103,
 &end
#
#    6 GLN  HA            6 GLN  HB+         2.60    (#    155:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 102, 103,
 &end
#
#    6 GLN  HG+           6 GLN  HB-         2.60    (#    156:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 105, 106,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:157      6 GLN  HB-         2.60    (#    157:20  Single Ambig)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 730, 731, 732, 734, 735, 736,  66,  67,  68,  70,
        71,  72,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:158      0 AMB  20-1:158    2.60    (#    158:20  Double Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 730, 731, 732, 734, 735, 736,  66,  67,  68,  70,
        71,  72,
 igr2= 102, 103, 102, 103,
 &end
#
#    7 TYR  HN            6 GLN  HG+         6.00    (#    159:20  Unique         2.60, 2.88 A)
 &rst
  ixpk= 159, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 105, 106,
 &end
#
#    7 TYR  HN            6 GLN  HG-         6.00    (#    160:20  Unique         2.60, 2.88 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 105, 106,
 &end
#
#    0 AMB  20-2:161      0 AMB  20-1:161    6.00    (#    161:20  Double Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  98, 688,
 igr2= 105, 106, 105, 106,
 &end
#
#    0 AMB  20-2:162      6 GLN  HG-         6.00    (#    162:20  Single Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  98, 688,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2+          6 GLN  HG+         2.60    (#    163:20  Unique         2.44, 3.48 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2+          6 GLN  HG-         3.50    (#    164:20  Unique         2.44, 3.48 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2-          6 GLN  HG+         3.50    (#    165:20  Unique         2.44, 3.48 A)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2-          6 GLN  HG-         6.00    (#    166:20  Unique         2.44, 3.48 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    0 AMB  20-2:167      0 AMB  20-1:167    2.60    (#    167:20  Double Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 100, 277,
 igr2= 105, 106, 105, 106,
 &end
#
#    0 AMB  20-2:168      6 GLN  HG-         3.50    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 100, 277,
 igr2= 105, 106,
 &end
#
#   43 THR  HB            6 GLN  HG-         6.00    (#    169:20  Unique         4.93, 5.76 A)
 &rst
  ixpk= 169, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 105, 106,
 &end
#
#    6 GLN  HB-           6 GLN  HG+         2.60    (#    171:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 102, 103,
 igr2= 105, 106,
 &end
#
#    6 GLN  HB-           6 GLN  HG-         2.20    (#    172:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 102, 103,
 igr2= 105, 106,
 &end
#
#   15 VAL  MGX           6 GLN  HG+         2.60    (#    173:20  Unique         2.72, 4.77 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 105, 106,
 &end
#
#   15 VAL  MGX           6 GLN  HG-         2.60    (#    174:20  Unique         2.72, 4.77 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 105, 106,
 &end
#
#    8 LYS  HN            7 TYR  HA          3.50    (#    175:20  Unique         2.24, 2.27 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 136, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HB-           7 TYR  HA          3.50    (#    177:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    7 TYR  HB+           7 TYR  HA          6.00    (#    178:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    0 AMB  20-2:179      7 TYR  HA          6.00    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
 igr1= 682, 683, 684, 246, 247, 248, 250, 251, 252, 162,
       163,
 &end
#
#    7 TYR  HD            7 TYR  HB+         2.60    (#    182:20  Unique         2.34, 3.07 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 123, 132,
 igr2= 119, 120,
 &end
#
#    7 TYR  HD            7 TYR  HB-         2.60    (#    184:20  Unique         2.34, 3.07 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 123, 132,
 igr2= 119, 120,
 &end
#
#    7 TYR  HN            7 TYR  HB+         3.50    (#    185:20  Unique         2.70, 3.30 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    7 TYR  HN            7 TYR  HB-         3.50    (#    186:20  Unique         2.70, 3.30 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    7 TYR  HA            7 TYR  HB+         3.50    (#    187:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#   16 ILE  HG1-          7 TYR  HB+         3.50    (#    188:20  Unique         2.26, 3.14 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 266, 267,
 igr2= 119, 120,
 &end
#
#    9 ASN  HN            8 LYS  HA          2.60    (#    189:20  Unique         2.17, 2.22 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 158, 138, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    8 LYS  HN            8 LYS  HA          6.00    (#    190:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 136, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 LYS  HB+           8 LYS  HA          3.50    (#    191:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 191, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 140, 141,
 &end
#
#    8 LYS  HB-           8 LYS  HA          2.60    (#    192:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 140, 141,
 &end
#
#    8 LYS  HG+           8 LYS  HA          3.50    (#    193:20  Unique         2.41, 2.87 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 143, 144,
 &end
#
#    0 AMB  20-2:194      8 LYS  HA          3.50    (#    194:20  Single Ambig)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
#
#    9 ASN  HB-           8 LYS  HA          6.00    (#    195:20  Unique         4.13, 4.40 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#    9 ASN  HN            8 LYS  HB+         6.00    (#    196:20  Unique         3.83, 4.08 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 140, 141,
 &end
#
#    9 ASN  HN            8 LYS  HB-         6.00    (#    197:20  Unique         3.83, 4.08 A)
 &rst
  ixpk= 197, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 140, 141,
 &end
#
#    8 LYS  HN            8 LYS  HB+         2.60    (#    198:20  Unique         2.66, 2.94 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 140, 141,
 &end
#
#    8 LYS  HN            8 LYS  HB-         3.50    (#    199:20  Unique         2.66, 2.94 A)
 &rst
  ixpk= 199, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 140, 141,
 &end
#
#    0 AMB  20-2:200      0 AMB  20-1:200    6.00    (#    200:20  Double Ambig)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 117, 656,
 igr2= 140, 141, 140, 141,
 &end
#
#    0 AMB  20-2:201      8 LYS  HB-         6.00    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 117, 656,
 igr2= 140, 141,
 &end
#
#    8 LYS  HA            8 LYS  HB-         2.60    (#    202:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 140, 141,
 &end
#
#    8 LYS  HA            8 LYS  HB+         3.50    (#    203:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 203, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 140, 141,
 &end
#
#   15 VAL  HA            8 LYS  HB-         6.00    (#    204:20  Unique         3.72, 4.41 A)
 &rst
  ixpk= 204, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 140, 141,
 &end
#
#    0 AMB  20-2:205      0 AMB  20-1:205    6.00    (#    205:20  Double Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 149, 150, 149, 150,
 igr2= 140, 141, 140, 141,
 &end
#
#    0 AMB  20-2:206      8 LYS  HB-         6.00    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 149, 150, 149, 150,
 igr2= 140, 141,
 &end
#
#    0 AMB  20-2:207      8 LYS  HB-         6.00    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 105, 106, 102, 103,
 igr2= 140, 141,
 &end
#
#   10 PRO  HD+           8 LYS  HB+         3.50    (#    209:20  Unique         3.64, 5.22 A)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 140, 141,
 &end
#
#    8 LYS  HG-           8 LYS  HB+         2.60    (#    211:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#    8 LYS  HG-           8 LYS  HB-         2.60    (#    212:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#   15 VAL  MGY           8 LYS  HB-         2.60    (#    213:20  Unique         2.45, 5.00 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 140, 141,
 &end
#
#   15 VAL  MGY           8 LYS  HB+         3.50    (#    214:20  Unique         2.45, 5.00 A)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 140, 141,
 &end
#
#   43 THR  MG2           8 LYS  HB+         6.00    (#    215:20  Unique         6.31, 7.33 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 694, 695, 696,
 igr2= 140, 141,
 &end
#
#   43 THR  MG2           8 LYS  HB-         6.00    (#    216:20  Unique         6.31, 7.33 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 694, 695, 696,
 igr2= 140, 141,
 &end
#
#    8 LYS  HG+           8 LYS  HB+         2.60    (#    217:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#    8 LYS  HG+           8 LYS  HB-         2.60    (#    218:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#    9 ASN  HN            8 LYS  HG+         6.00    (#    219:20  Unique         2.55, 2.82 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#    8 LYS  HA            8 LYS  HG+         3.50    (#    220:20  Unique         2.41, 2.87 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:221      0 AMB  20-1:221    3.50    (#    221:20  Double Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 149, 150, 149, 150,
 igr2= 143, 144, 143, 144, 176, 177,
 &end
#
#    8 LYS  HB+           8 LYS  HG+         2.60    (#    222:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 140, 141,
 igr2= 143, 144,
 &end
#
#   10 PRO  HD+          10 PRO  HG+         3.50    (#    223:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#    0 AMB  20-2:224      0 AMB  20-1:224    2.20    (#    224:20  Double Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 146, 147, 146, 147,
 igr2= 143, 144, 143, 144,
 &end
#
#    0 AMB  20-2:225      8 LYS  HG-         2.20    (#    225:20  Single Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 146, 147, 146, 147,
 igr2= 143, 144,
 &end
#
#    8 LYS  HB+           8 LYS  HG-         2.60    (#    226:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 140, 141,
 igr2= 143, 144,
 &end
#
#    8 LYS  HA            0 AMB  20-1:227    6.00    (#    227:20  Single Ambig)
 &rst
  ixpk= 227, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:228      0 AMB  20-1:228    2.60    (#    228:20  Double Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 149, 150, 149, 150,
 igr2= 146, 147, 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:229      0 AMB  20-1:229    2.20    (#    229:20  Double Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 140, 141, 140, 141,
 igr2= 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:230      0 AMB  20-1:230    2.60    (#    230:20  Double Ambig)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 143, 144, 143, 144,
 igr2= 146, 147, 146, 147,
 &end
#
#   15 VAL  MGY           0 AMB  20-1:231    2.60    (#    231:20  Single Ambig)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 146, 147, 146, 147,
 &end
#
#    8 LYS  HG-           0 AMB  20-1:232    2.60    (#    232:20  Single Ambig)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 143, 144,
 igr2= 146, 147, 146, 147,
 &end
#
#   15 VAL  MGY           0 AMB  20-1:233    3.50    (#    233:20  Single Ambig)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 149, 150, 149, 150,
 &end
#
#    8 LYS  HG-           0 AMB  20-1:234    3.50    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 143, 144,
 igr2= 149, 150, 149, 150,
 &end
#
#    0 AMB  20-2:235      0 AMB  20-1:235    3.50    (#    235:20  Double Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 143, 144, 143, 144, 176, 177,
 igr2= 149, 150, 149, 150,
 &end
#
#    0 AMB  20-2:236      0 AMB  20-1:236    2.60    (#    236:20  Double Ambig)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 146, 147, 146, 147, 146, 147,
 igr2= 149, 150, 149, 150, 149, 150,
 &end
#
#    9 ASN  HN            9 ASN  HA          3.50    (#    237:20  Unique         2.99, 3.01 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:238      9 ASN  HA          6.00    (#    238:20  Single Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 667, 479,
 &end
#
#    0 AMB  20-2:240      9 ASN  HA          6.00    (#    240:20  Single Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 186,
 &end
#
#   41 TRP  HZ3           9 ASN  HA          6.00    (#    241:20  Unique         3.09, 3.34 A)
 &rst
  ixpk= 241, nxpk= 20, iat= 671, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 PRO  HD+           9 ASN  HA          2.60    (#    242:20  Unique         2.07, 2.44 A)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 173, 174,
 &end
#
#    9 ASN  HB+           9 ASN  HA          3.50    (#    243:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 162, 163,
 &end
#
#    0 AMB  20-2:244      9 ASN  HA          6.00    (#    244:20  Single Ambig)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 143, 144, 176, 177, 210, 211, 212,
 &end
#
#    9 ASN  HB-           9 ASN  HA          2.60    (#    245:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 162, 163,
 &end
#
#   10 PRO  HD-           9 ASN  HA          2.60    (#    246:20  Unique         2.07, 2.44 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-           9 ASN  HA          6.00    (#    247:20  Unique         4.21, 4.56 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 177,
 &end
#
#   13 GLY  HN            9 ASN  HB+         6.00    (#    248:20  Unique         3.47, 4.55 A)
 &rst
  ixpk= 248, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:249      9 ASN  HB-         6.00    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 225, 673, 186,
 igr2= 162, 163,
 &end
#
#    9 ASN  HN            9 ASN  HB-         3.50    (#    250:20  Unique         2.54, 2.77 A)
 &rst
  ixpk= 250, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 163,
 &end
#
#    9 ASN  HN            9 ASN  HB+         2.60    (#    251:20  Unique         2.54, 2.77 A)
 &rst
  ixpk= 251, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 162, 163,
 &end
#
#   29 TRP  HZ2           9 ASN  HB+         6.00    (#    252:20  Unique         3.69, 3.93 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#   29 TRP  HZ2           9 ASN  HB-         6.00    (#    253:20  Unique         3.69, 3.93 A)
 &rst
  ixpk= 253, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:254      0 AMB  20-1:254    3.50    (#    254:20  Double Ambig)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 225, 673, 186,
 igr2= 162, 163, 162, 163, 162, 163,
 &end
#
#   12 THR  HN            9 ASN  HB+         6.00    (#    255:20  Unique         3.45, 4.25 A)
 &rst
  ixpk= 255, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:256      9 ASN  HB-         3.50    (#    256:20  Single Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 479, 667,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    3.50    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 479, 667,
 igr2= 162, 163, 162, 163,
 &end
#
#    0 AMB  20-2:258      0 AMB  20-1:258    6.00    (#    258:20  Double Ambig)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 138, 466,
 igr2= 162, 163, 162, 163,
 &end
#
#    9 ASN  HA            9 ASN  HB+         3.50    (#    260:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 260, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 163,
 &end
#
#   14 GLU  HB+           9 ASN  HB+         6.00    (#    261:20  Unique         2.41, 3.62 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 229, 230,
 igr2= 162, 163,
 &end
#
#   14 GLU  HB-           9 ASN  HB+         3.50    (#    262:20  Unique         2.41, 3.62 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 229, 230,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:263      0 AMB  20-1:263    6.00    (#    263:20  Double Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 210, 211, 212, 176, 177,
 igr2= 162, 163, 162, 163,
 &end
#
#    0 AMB  20-2:264      9 ASN  HB-         6.00    (#    264:20  Single Ambig)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 138, 466,
 igr2= 162, 163,
 &end
#
#    9 ASN  HA            9 ASN  HB-         3.50    (#    266:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 163,
 &end
#
#   14 GLU  HB+           9 ASN  HB-         6.00    (#    267:20  Unique         2.41, 3.62 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 229, 230,
 igr2= 162, 163,
 &end
#
#   14 GLU  HB-           9 ASN  HB-         6.00    (#    268:20  Unique         2.41, 3.62 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 229, 230,
 igr2= 162, 163,
 &end
#
#   10 PRO  HG-          10 PRO  HA          6.00    (#    269:20  Unique         2.80, 3.48 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 177,
 &end
#
#   10 PRO  HD-          10 PRO  HA          6.00    (#    270:20  Unique         3.38, 3.69 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#    8 LYS  HG-          10 PRO  HA          6.00    (#    271:20  Unique         3.65, 4.67 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 144,
 &end
#
#    0 AMB  20-2:272     10 PRO  HA          6.00    (#    272:20  Single Ambig)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 176, 177, 143, 144,
 &end
#
#   10 PRO  HB-          10 PRO  HA          2.60    (#    273:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 179, 180,
 &end
#
#    0 AMB  20-2:274     10 PRO  HA          6.00    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 146, 147, 146, 147,
 &end
#
#   10 PRO  HB+          10 PRO  HA          2.60    (#    275:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 179, 180,
 &end
#
#   10 PRO  HD+          10 PRO  HA          6.00    (#    276:20  Unique         3.38, 3.69 A)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#    0 AMB  20-2:278     10 PRO  HA          6.00    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 149, 150, 149, 150,
 &end
#
#   11 HIS  HN           10 PRO  HA          6.00    (#    279:20  Unique         3.46, 3.54 A)
 &rst
  ixpk= 279, nxpk= 20, iat= 186, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLY  HN           10 PRO  HA          6.00    (#    280:20  Unique         3.04, 3.51 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 218, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLY  HA+          10 PRO  HA          6.00    (#    281:20  Unique         3.07, 4.48 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 220, 221,
 &end
#
#   10 PRO  HA           10 PRO  HB-         2.60    (#    282:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 179, 180,
 &end
#
#   10 PRO  HA           10 PRO  HB+         2.60    (#    283:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 179, 180,
 &end
#
#   11 HIS  HN           10 PRO  HB-         6.00    (#    284:20  Unique         3.02, 3.77 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD+          10 PRO  HB+         3.50    (#    285:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD+          10 PRO  HB-         3.50    (#    286:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG+          10 PRO  HB+         3.50    (#    291:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD-          10 PRO  HB-         6.00    (#    292:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD-          10 PRO  HB+         6.00    (#    293:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG+          10 PRO  HB-         3.50    (#    294:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG-          10 PRO  HB+         3.50    (#    295:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG-          10 PRO  HB-         3.50    (#    296:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD+          10 PRO  HG-         3.50    (#    297:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   10 PRO  HB+          10 PRO  HG-         3.50    (#    298:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   10 PRO  HB-          10 PRO  HG-         3.50    (#    299:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   10 PRO  HD-          10 PRO  HG-         3.50    (#    300:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   11 HIS  HN           10 PRO  HG-         6.00    (#    301:20  Unique         3.03, 4.60 A)
 &rst
  ixpk= 301, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   41 TRP  HE1          10 PRO  HG+         6.00    (#    302:20  Unique         3.52, 4.77 A)
 &rst
  ixpk= 302, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   10 PRO  HA           10 PRO  HG+         6.00    (#    303:20  Unique         2.80, 3.48 A)
 &rst
  ixpk= 303, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#    9 ASN  HA           10 PRO  HG+         6.00    (#    304:20  Unique         4.21, 4.56 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#    0 AMB  20-2:305      0 AMB  20-1:305    3.50    (#    305:20  Double Ambig)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 173, 174, 173, 174,
 igr2= 176, 177, 143, 144,
 &end
#
#   10 PRO  HB-          10 PRO  HG+         2.60    (#    306:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   10 PRO  HD-           0 AMB  20-1:307    3.50    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 173, 174,
 igr2= 176, 177, 143, 144,
 &end
#
#   15 VAL  MGY           8 LYS  HG+         2.60    (#    309:20  Unique         2.29, 4.99 A)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 143, 144,
 &end
#
#   10 PRO  HG-          10 PRO  HD+         3.50    (#    311:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#   10 PRO  HG-          10 PRO  HD-         3.50    (#    312:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#    8 LYS  HG-          10 PRO  HD-         3.50    (#    314:20  Unique         2.72, 4.57 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 143, 144,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    3.50    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 176, 177, 143, 144,
 igr2= 173, 174, 173, 174,
 &end
#
#    0 AMB  20-2:316     10 PRO  HD-         3.50    (#    316:20  Single Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 177, 143, 144,
 igr2= 173, 174,
 &end
#
#   10 PRO  HB-          10 PRO  HD-         6.00    (#    317:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#   10 PRO  HB-          10 PRO  HD+         6.00    (#    318:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#   10 PRO  HB+          10 PRO  HD+         6.00    (#    319:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#   10 PRO  HB+          10 PRO  HD-         6.00    (#    320:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#    8 LYS  HG-          10 PRO  HD+         3.50    (#    321:20  Unique         2.72, 4.57 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 143, 144,
 igr2= 173, 174,
 &end
#
#    9 ASN  HA           10 PRO  HD+         2.60    (#    323:20  Unique         2.07, 2.44 A)
 &rst
  ixpk= 323, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 173, 174,
 &end
#
#   10 PRO  HA           10 PRO  HD+         6.00    (#    324:20  Unique         3.38, 3.69 A)
 &rst
  ixpk= 324, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#   11 HIS  HN           10 PRO  HD+         6.00    (#    325:20  Unique         3.17, 3.81 A)
 &rst
  ixpk= 325, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#    9 ASN  HA           10 PRO  HD-         2.60    (#    326:20  Unique         2.07, 2.44 A)
 &rst
  ixpk= 326, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 173, 174,
 &end
#
#   11 HIS  HN           10 PRO  HD-         3.50    (#    327:20  Unique         3.17, 3.81 A)
 &rst
  ixpk= 327, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#   10 PRO  HA           10 PRO  HD-         6.00    (#    328:20  Unique         3.38, 3.69 A)
 &rst
  ixpk= 328, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#   11 HIS  HN           11 HIS  HA          3.50    (#    330:20  Unique         2.87, 2.91 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HN           11 HIS  HA          6.00    (#    331:20  Unique         3.47, 3.51 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 204, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 HIS  HB+          11 HIS  HA          2.60    (#    332:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 190, 191,
 &end
#
#   11 HIS  HB-          11 HIS  HA          2.60    (#    333:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 190, 191,
 &end
#
#   12 THR  MG2          11 HIS  HA          6.00    (#    334:20  Unique         4.66, 5.44 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 210, 211, 212,
 &end
#
#   33 TRP  HZ2          11 HIS  HB+         6.00    (#    335:20  Unique         2.90, 3.55 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   33 TRP  HZ2          11 HIS  HB-         6.00    (#    336:20  Unique         2.90, 3.55 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   11 HIS  HN           11 HIS  HB-         3.50    (#    337:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#   11 HIS  HN           11 HIS  HB+         3.50    (#    338:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 338, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#   12 THR  HN           11 HIS  HB+         3.50    (#    339:20  Unique         2.91, 3.58 A)
 &rst
  ixpk= 339, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#   12 THR  HN           11 HIS  HB-         6.00    (#    340:20  Unique         2.91, 3.58 A)
 &rst
  ixpk= 340, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   11 HIS  HA           11 HIS  HB+         2.60    (#    343:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 190, 191,
 &end
#
#   11 HIS  HA           11 HIS  HB-         3.50    (#    344:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#   12 THR  MG2          11 HIS  HB+         3.50    (#    347:20  Unique         2.59, 4.16 A)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 210, 211, 212,
 igr2= 190, 191,
 &end
#
#   12 THR  MG2          11 HIS  HB-         3.50    (#    348:20  Unique         2.59, 4.16 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 210, 211, 212,
 igr2= 190, 191,
 &end
#
#   13 GLY  HN           12 THR  HA          6.00    (#    349:20  Unique         3.46, 3.49 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HN           12 THR  HA          3.50    (#    350:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HB           12 THR  HA          2.60    (#    351:20  Unique         2.40, 2.42 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   12 THR  MG2          12 THR  HA          2.60    (#    352:20  Unique         2.57, 3.21 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 210, 211, 212,
 &end
#
#   13 GLY  HN           12 THR  HB          6.00    (#    353:20  Unique         4.01, 4.08 A)
 &rst
  ixpk= 353, nxpk= 20, iat= 218, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HN           12 THR  HB          3.50    (#    354:20  Unique         3.29, 3.49 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 225, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HN           12 THR  HB          6.00    (#    355:20  Unique         3.78, 3.79 A)
 &rst
  ixpk= 355, nxpk= 20, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HA           12 THR  HB          2.60    (#    358:20  Unique         2.40, 2.42 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:359     12 THR  HB          3.50    (#    359:20  Single Ambig)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB-          12 THR  HB          6.00    (#    361:20  Unique         3.59, 4.80 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#   12 THR  MG2          12 THR  HB          2.20    (#    362:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 210, 211, 212,
 &end
#
#   12 THR  HN           12 THR  MG2         2.60    (#    363:20  Unique         2.74, 3.56 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HA           12 THR  MG2         2.60    (#    365:20  Unique         2.57, 3.21 A)
 &rst
  ixpk= 365, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HB           12 THR  MG2         2.20    (#    366:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 366, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 210, 211, 212,
 &end
#
#   11 HIS  HB+          12 THR  MG2         3.50    (#    368:20  Unique         2.59, 4.16 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 190, 191,
 igr2= 210, 211, 212,
 &end
#
#   11 HIS  HB-          12 THR  MG2         3.50    (#    369:20  Unique         2.59, 4.16 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 190, 191,
 igr2= 210, 211, 212,
 &end
#
#   13 GLY  HN           13 GLY  HA+         2.60    (#    370:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 220, 221,
 &end
#
#   13 GLY  HN           13 GLY  HA-         2.60    (#    371:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 220, 221,
 &end
#
#   14 GLU  HN           13 GLY  HA-         3.50    (#    372:20  Unique         3.21, 3.35 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 220, 221,
 &end
#
#   14 GLU  HN           13 GLY  HA+         3.50    (#    373:20  Unique         3.21, 3.35 A)
 &rst
  ixpk= 373, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 220, 221,
 &end
#
#   12 THR  HN           13 GLY  HA+         6.00    (#    374:20  Unique         4.29, 4.57 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 220, 221,
 &end
#
#   12 THR  HN           13 GLY  HA-         6.00    (#    375:20  Unique         4.29, 4.57 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 220, 221,
 &end
#
#   12 THR  HA           13 GLY  HA+         6.00    (#    378:20  Unique         4.65, 4.94 A)
 &rst
  ixpk= 378, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 220, 221,
 &end
#
#   12 THR  HA           13 GLY  HA-         6.00    (#    379:20  Unique         4.65, 4.94 A)
 &rst
  ixpk= 379, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:380      0 AMB  20-1:380    3.50    (#    380:20  Double Ambig)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 149, 150, 149, 150,
 igr2= 220, 221, 220, 221,
 &end
#
#    0 AMB  20-2:381     13 GLY  HA-         3.50    (#    381:20  Single Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 149, 150, 149, 150,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:382     13 GLY  HA-         6.00    (#    382:20  Single Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 146, 147, 146, 147,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:383      0 AMB  20-1:383    6.00    (#    383:20  Double Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 146, 147, 146, 147,
 igr2= 220, 221, 220, 221,
 &end
#
#    0 AMB  20-2:384     13 GLY  HA-         6.00    (#    384:20  Single Ambig)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 143, 144, 176, 177,
 igr2= 220, 221,
 &end
#
#   15 VAL  MGY          13 GLY  HA-         6.00    (#    385:20  Unique         5.37, 7.90 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 220, 221,
 &end
#
#    8 LYS  HG-          13 GLY  HA-         6.00    (#    386:20  Unique         4.19, 5.36 A)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 143, 144,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:387      0 AMB  20-1:387    6.00    (#    387:20  Double Ambig)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 143, 144, 176, 177,
 igr2= 220, 221, 220, 221,
 &end
#
#   15 VAL  MGY          13 GLY  HA+         6.00    (#    388:20  Unique         5.37, 7.90 A)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:389      0 AMB  20-1:389    6.00    (#    389:20  Double Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 143, 144, 162, 163,
 igr2= 220, 221, 220, 221,
 &end
#
#   15 VAL  MGY          14 GLU  HA          3.50    (#    390:20  Unique         3.57, 5.59 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HB           14 GLU  HA          6.00    (#    391:20  Unique         4.00, 4.48 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 244, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HB-          14 GLU  HA          2.60    (#    392:20  Unique         2.70, 2.86 A)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 229, 230,
 &end
#
#   14 GLU  HB+          14 GLU  HA          2.60    (#    393:20  Unique         2.70, 2.86 A)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 229, 230,
 &end
#
#    0 AMB  20-2:394     14 GLU  HA          2.60    (#    394:20  Single Ambig)
 &rst
  ixpk= 394, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 232, 233, 232, 233,
 &end
#
#   29 TRP  HZ2          14 GLU  HA          6.00    (#    396:20  Unique         4.89, 4.94 A)
 &rst
  ixpk= 396, nxpk= 20, iat= 477, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HN           14 GLU  HA          3.50    (#    397:20  Unique         2.77, 2.85 A)
 &rst
  ixpk= 397, nxpk= 20, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  HN           14 GLU  HA          2.20    (#    398:20  Unique         2.11, 2.18 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 240, 227, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   15 VAL  HN           14 GLU  HB+         3.50    (#    399:20  Unique         2.82, 3.51 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   15 VAL  HN           14 GLU  HB-         3.50    (#    400:20  Unique         2.82, 3.51 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   14 GLU  HN           14 GLU  HB+         3.50    (#    401:20  Unique         2.14, 2.82 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   29 TRP  HZ2          14 GLU  HB+         2.60    (#    402:20  Unique         2.26, 2.54 A)
 &rst
  ixpk= 402, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#   29 TRP  HZ2          14 GLU  HB-         2.60    (#    403:20  Unique         2.26, 2.54 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#   14 GLU  HN           14 GLU  HB-         2.60    (#    404:20  Unique         2.14, 2.82 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#   29 TRP  HH2          14 GLU  HB-         3.50    (#    405:20  Unique         2.14, 2.74 A)
 &rst
  ixpk= 405, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   29 TRP  HH2          14 GLU  HB+         3.50    (#    406:20  Unique         2.14, 2.74 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   14 GLU  HA           14 GLU  HB+         2.60    (#    407:20  Unique         2.70, 2.86 A)
 &rst
  ixpk= 407, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#   14 GLU  HA           14 GLU  HB-         2.60    (#    408:20  Unique         2.70, 2.86 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#    0 AMB  20-2:409      0 AMB  20-1:409    2.20    (#    409:20  Double Ambig)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 232, 233, 232, 233,
 igr2= 229, 230, 229, 230,
 &end
#
#    0 AMB  20-2:410     14 GLU  HB-         2.20    (#    410:20  Single Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 232, 233, 232, 233,
 igr2= 229, 230,
 &end
#
#    0 AMB  20-2:413      0 AMB  20-1:413    6.00    (#    413:20  Double Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 262, 263, 264, 400, 401, 402,
 igr2= 229, 230, 229, 230,
 &end
#
#    8 LYS  HG-          14 GLU  HB+         6.00    (#    414:20  Unique         5.54, 6.21 A)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 143, 144,
 igr2= 229, 230,
 &end
#
#    0 AMB  20-2:415      0 AMB  20-1:415    6.00    (#    415:20  Double Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 266, 267, 246, 247, 248, 250, 251, 252,
 igr2= 229, 230, 229, 230,
 &end
#
#   12 THR  MG2          14 GLU  HB+         6.00    (#    416:20  Unique         4.44, 5.87 A)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 210, 211, 212,
 igr2= 229, 230,
 &end
#
#    0 AMB  20-2:417      0 AMB  20-1:417    2.60    (#    417:20  Double Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 587, 240,
 igr2= 594, 595, 232, 233, 232, 233,
 &end
#
#   37 ALA  HN           36 GLU  HG+         6.00    (#    418:20  Unique         4.40, 4.71 A)
 &rst
  ixpk= 418, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 594, 595,
 &end
#
#   14 GLU  HN            0 AMB  20-1:419    2.60    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 232, 233, 232, 233,
 &end
#
#   29 TRP  HZ2           0 AMB  20-1:420    3.50    (#    420:20  Single Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 232, 233, 232, 233,
 &end
#
#   29 TRP  HH2           0 AMB  20-1:421    3.50    (#    421:20  Single Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 232, 233, 232, 233,
 &end
#
#   12 THR  HB            0 AMB  20-1:422    3.50    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 232, 233, 232, 233,
 &end
#
#   14 GLU  HA            0 AMB  20-1:423    2.60    (#    423:20  Single Ambig)
 &rst
  ixpk= 423, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 232, 233, 232, 233,
 &end
#
#   36 GLU  HA           36 GLU  HG+         3.50    (#    424:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:425      0 AMB  20-1:425    2.20    (#    425:20  Double Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 229, 230, 591, 592, 577, 578,
 igr2= 232, 233, 232, 233, 594, 595, 594, 595,
 &end
#
#    0 AMB  20-2:426      0 AMB  20-1:426    2.20    (#    426:20  Double Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 229, 230, 229, 230, 577, 578,
 igr2= 232, 233, 232, 233, 594, 595,
 &end
#
#    0 AMB  20-2:427      0 AMB  20-1:427    3.50    (#    427:20  Double Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 262, 263, 264,
 igr2= 232, 233, 232, 233,
 &end
#
#   16 ILE  HN           15 VAL  HA          2.20    (#    428:20  Unique         2.20, 2.21 A)
 &rst
  ixpk= 428, nxpk= 20, iat= 256, 242, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    9 ASN  HN           15 VAL  HA          6.00    (#    429:20  Unique         3.57, 3.66 A)
 &rst
  ixpk= 429, nxpk= 20, iat= 158, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HN           15 VAL  HA          3.50    (#    430:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 430, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 TRP  HH2          15 VAL  HA          6.00    (#    431:20  Unique         2.95, 3.05 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 479, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 LYS  HA           15 VAL  HA          2.60    (#    432:20  Unique         2.22, 2.27 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 138, 242, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   15 VAL  HB           15 VAL  HA          3.50    (#    434:20  Unique         2.53, 2.97 A)
 &rst
  ixpk= 434, nxpk= 20, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  MGX          15 VAL  HA          2.60    (#    436:20  Unique         2.42, 3.22 A)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:437     15 VAL  HA          2.60    (#    437:20  Single Ambig)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
#
#   16 ILE  HN           15 VAL  HB          6.00    (#    438:20  Unique         3.93, 3.99 A)
 &rst
  ixpk= 438, nxpk= 20, iat= 256, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HN           15 VAL  HB          2.60    (#    439:20  Unique         2.63, 2.65 A)
 &rst
  ixpk= 439, nxpk= 20, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   15 VAL  HA           15 VAL  HB          3.50    (#    440:20  Unique         2.53, 2.97 A)
 &rst
  ixpk= 440, nxpk= 20, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 GLU  HA           15 VAL  HB          6.00    (#    441:20  Unique         4.00, 4.48 A)
 &rst
  ixpk= 441, nxpk= 20, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  MGX          15 VAL  HB          2.20    (#    443:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  MGY          15 VAL  HB          2.20    (#    444:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:445      0 AMB  20-1:445    2.60    (#    445:20  Double Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 242, 277,
 igr2= 246, 247, 248, 250, 251, 252,  66,  67,  68,  70,
        71,  72,
 &end
#
#    0 AMB  20-2:446      0 AMB  20-1:446    2.60    (#    446:20  Double Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 242, 277, 100,
 igr2= 246, 247, 248, 250, 251, 252,  66,  67,  68,  70,
        71,  72,
 &end
#
#    8 LYS  HA           15 VAL  MGY         3.50    (#    447:20  Unique         2.94, 4.34 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HA           15 VAL  MGX         3.50    (#    448:20  Unique         2.94, 4.34 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HN           15 VAL  MGY         2.60    (#    449:20  Unique         2.19, 4.14 A)
 &rst
  ixpk= 449, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HN           15 VAL  MGX         6.00    (#    450:20  Unique         2.19, 4.14 A)
 &rst
  ixpk= 450, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  HN           15 VAL  MGY         3.50    (#    451:20  Unique         2.64, 4.09 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   17 GLU  HN           16 ILE  HA          6.00    (#    452:20  Unique         2.30, 2.32 A)
 &rst
  ixpk= 452, nxpk= 20, iat= 275, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN           16 ILE  HB          6.00    (#    453:20  Unique         3.90, 3.92 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HN           16 ILE  HB          2.60    (#    454:20  Unique         2.30, 2.34 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 275, 260, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:455     16 ILE  HB          6.00    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 123, 132, 479,
 &end
#
#    0 AMB  20-2:456     16 ILE  HB          6.00    (#    456:20  Single Ambig)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 277, 100, 242,
 &end
#
#    7 TYR  HB+          16 ILE  HB          6.00    (#    458:20  Unique         4.67, 5.53 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    0 AMB  20-2:459     16 ILE  HB          6.00    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 279, 280, 279, 280, 244,
 &end
#
#   16 ILE  HG1-         16 ILE  HB          2.60    (#    461:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 266, 267,
 &end
#
#   16 ILE  HG1+         16 ILE  HB          3.50    (#    462:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 266, 267,
 &end
#
#   16 ILE  MG2          16 ILE  HB          2.60    (#    463:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  MD1          16 ILE  HB          3.50    (#    464:20  Unique         2.60, 3.22 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#    7 TYR  HN           16 ILE  HG1-        6.00    (#    465:20  Unique         3.16, 3.54 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#    7 TYR  HN           16 ILE  HG1+        6.00    (#    466:20  Unique         3.16, 3.54 A)
 &rst
  ixpk= 466, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   16 ILE  HN           16 ILE  HG1-        3.50    (#    467:20  Unique         2.46, 2.83 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   16 ILE  HN           16 ILE  HG1+        3.50    (#    468:20  Unique         2.46, 2.83 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   17 GLU  HN           16 ILE  HG1+        6.00    (#    469:20  Unique         3.61, 4.18 A)
 &rst
  ixpk= 469, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   17 GLU  HN           16 ILE  HG1-        6.00    (#    470:20  Unique         3.61, 4.18 A)
 &rst
  ixpk= 470, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   29 TRP  HZ2          16 ILE  HG1+        6.00    (#    471:20  Unique         4.41, 5.35 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#    7 TYR  HD           16 ILE  HG1-        3.50    (#    472:20  Unique         2.69, 4.66 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 123, 132,
 igr2= 266, 267,
 &end
#
#   29 TRP  HH2          16 ILE  HG1+        3.50    (#    473:20  Unique         2.77, 3.74 A)
 &rst
  ixpk= 473, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:474     16 ILE  HG1-        6.00    (#    474:20  Single Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 242, 277, 100,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:475      0 AMB  20-1:475    6.00    (#    475:20  Double Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 242, 277,
 igr2= 266, 267, 266, 267,
 &end
#
#    7 TYR  HB+          16 ILE  HG1-        3.50    (#    478:20  Unique         2.26, 3.14 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#    7 TYR  HB+          16 ILE  HG1+        3.50    (#    479:20  Unique         2.26, 3.14 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#    7 TYR  HB-          16 ILE  HG1+        6.00    (#    480:20  Unique         2.26, 3.14 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#    7 TYR  HB-          16 ILE  HG1-        6.00    (#    481:20  Unique         2.26, 3.14 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#   16 ILE  HB           16 ILE  HG1+        3.50    (#    483:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 483, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:488     26 LEU  HG          2.60    (#    488:20  Single Ambig)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 498, 499, 498, 499, 412, 413,
 &end
#
#   16 ILE  MG2          16 ILE  HG1+        2.60    (#    489:20  Unique         2.60, 3.61 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 262, 263, 264,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:490      0 AMB  20-1:490    3.50    (#    490:20  Double Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 262, 263, 264, 618, 619, 620, 622, 623, 624,
 igr2= 266, 267, 415,
 &end
#
#   26 LEU  MDX           0 AMB  20-1:491    2.60    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 415, 266, 267,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:492    2.60    (#    492:20  Single Ambig)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 415, 266, 267,
 &end
#
#   16 ILE  MD1          16 ILE  HG1-        2.60    (#    493:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 269, 270, 271,
 igr2= 266, 267,
 &end
#
#   16 ILE  MD1          16 ILE  HG1+        2.60    (#    494:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 269, 270, 271,
 igr2= 266, 267,
 &end
#
#   26 LEU  MDY          16 ILE  MD1         3.50    (#    496:20  Unique         2.35, 5.13 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:497     16 ILE  MD1         2.60    (#    497:20  Single Ambig)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 262, 263, 264, 400, 401, 402,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:498     16 ILE  MD1         6.00    (#    498:20  Single Ambig)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 618, 619, 620, 622, 623, 624, 162, 163,
 igr2= 269, 270, 271,
 &end
#
#   16 ILE  HG1+         16 ILE  MD1         2.60    (#    499:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 266, 267,
 igr2= 269, 270, 271,
 &end
#
#   16 ILE  HG1-         16 ILE  MD1         2.60    (#    500:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 266, 267,
 igr2= 269, 270, 271,
 &end
#
#   16 ILE  HB           16 ILE  MD1         3.50    (#    501:20  Unique         2.60, 3.22 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HB+          16 ILE  MD1         6.00    (#    502:20  Unique         2.50, 4.03 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 412, 413,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HB+          16 ILE  MD1         6.00    (#    504:20  Unique         2.80, 4.31 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119, 120,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HA           16 ILE  MD1         3.50    (#    505:20  Unique         2.64, 3.40 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#   25 THR  HB           16 ILE  MD1         3.50    (#    506:20  Unique         2.58, 3.40 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#   25 THR  HA           16 ILE  MD1         6.00    (#    507:20  Unique         4.77, 5.54 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   29 TRP  HH2          16 ILE  MD1         3.50    (#    509:20  Unique         3.64, 4.48 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HN           16 ILE  MD1         6.00    (#    510:20  Unique         3.33, 4.09 A)
 &rst
  ixpk= 510, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   23 HIS  HE1          16 ILE  MD1         6.00    (#    512:20  Unique         3.05, 4.20 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   17 GLU  HN           16 ILE  MD1         6.00    (#    513:20  Unique         4.61, 5.31 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:514     16 ILE  MD1         6.00    (#    514:20  Single Ambig)
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 256, 290,
 igr2= 269, 270, 271,
 &end
#
#   16 ILE  HN           16 ILE  MG2         3.50    (#    515:20  Unique         3.44, 4.13 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 262, 263, 264,
 &end
#
#   17 GLU  HN           16 ILE  MG2         3.50    (#    516:20  Unique         3.82, 4.40 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 262, 263, 264,
 &end
#
#   23 HIS  HE1          16 ILE  MG2         3.50    (#    517:20  Unique         2.60, 3.73 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 262, 263, 264,
 &end
#
#   29 TRP  HZ2          16 ILE  MG2         6.00    (#    518:20  Unique         3.14, 4.07 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   29 TRP  HH2          16 ILE  MG2         3.50    (#    519:20  Unique         2.50, 3.64 A)
 &rst
  ixpk= 519, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 262, 263, 264,
 &end
#
#   25 THR  HB           16 ILE  MG2         3.50    (#    521:20  Unique         2.67, 4.15 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 262, 263, 264,
 &end
#
#    0 AMB  20-2:522     16 ILE  MG2         3.50    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 232, 233, 232, 233,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HB           16 ILE  MG2         2.60    (#    523:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 523, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HG1-         16 ILE  MG2         3.50    (#    524:20  Unique         2.60, 3.61 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 266, 267,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HG1+         16 ILE  MG2         3.50    (#    526:20  Unique         2.60, 3.61 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 266, 267,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  MD1          16 ILE  MG2         2.60    (#    527:20  Unique         2.27, 3.72 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 269, 270, 271,
 igr2= 262, 263, 264,
 &end
#
#   18 THR  HB           16 ILE  MG2         6.00    (#    528:20  Unique         6.48, 7.20 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   18 THR  HN           17 GLU  HA          2.20    (#    529:20  Unique         2.13, 2.16 A)
 &rst
  ixpk= 529, nxpk= 20, iat= 290, 277, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   17 GLU  HN           17 GLU  HA          3.50    (#    530:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:532     17 GLU  HA          2.60    (#    532:20  Single Ambig)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 282, 283, 105, 106,
 &end
#
#   17 GLU  HG-          17 GLU  HA          2.60    (#    533:20  Unique         2.49, 2.69 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 282, 283,
 &end
#
#    0 AMB  20-2:534     17 GLU  HA          2.20    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 279, 280, 279, 280,
 &end
#
#   18 THR  MG2          17 GLU  HA          3.50    (#    535:20  Unique         3.57, 4.62 A)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 296, 297, 298,
 &end
#
#    0 AMB  20-2:536     17 GLU  HA          3.50    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  66,  67,  68,  70,  71,  72, 246, 247, 248, 250,
       251, 252,
 &end
#
#   18 THR  HN            0 AMB  20-1:537    3.50    (#    537:20  Single Ambig)
 &rst
  ixpk= 537, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 279, 280, 279, 280,
 &end
#
#   17 GLU  HN            0 AMB  20-1:538    2.60    (#    538:20  Single Ambig)
 &rst
  ixpk= 538, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 279, 280, 279, 280,
 &end
#
#   17 GLU  HA            0 AMB  20-1:539    2.60    (#    539:20  Single Ambig)
 &rst
  ixpk= 539, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 279, 280, 279, 280,
 &end
#
#    0 AMB  20-2:544      0 AMB  20-1:544    2.20    (#    544:20  Double Ambig)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 282, 283, 282, 283,
 igr2= 279, 280, 279, 280,
 &end
#
#    4 VAL  MGX           0 AMB  20-1:545    2.20    (#    545:20  Single Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 279, 280, 279, 280,
 &end
#
#    0 AMB  20-2:546      0 AMB  20-1:546    3.50    (#    546:20  Double Ambig)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 618, 619, 620, 622, 623, 624, 262, 263, 264,
 igr2= 492, 493, 279, 280, 279, 280,
 &end
#
#    0 AMB  20-2:549      0 AMB  20-1:549    6.00    (#    549:20  Double Ambig)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 290, 256,
 igr2= 282, 283, 282, 283,
 &end
#
#   17 GLU  HN           17 GLU  HG+         3.50    (#    550:20  Unique         3.34, 4.03 A)
 &rst
  ixpk= 550, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#   17 GLU  HN           17 GLU  HG-         3.50    (#    551:20  Unique         3.34, 4.03 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#    0 AMB  20-2:552     17 GLU  HG-         6.00    (#    552:20  Single Ambig)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 290, 256,
 igr2= 282, 283,
 &end
#
#    6 GLN  HE2+         17 GLU  HG+         6.00    (#    553:20  Unique         3.04, 5.62 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 282, 283,
 &end
#
#    6 GLN  HE2+         17 GLU  HG-         6.00    (#    554:20  Unique         3.04, 5.62 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 282, 283,
 &end
#
#   17 GLU  HA           17 GLU  HG+         2.60    (#    555:20  Unique         2.49, 2.69 A)
 &rst
  ixpk= 555, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 282, 283,
 &end
#
#   17 GLU  HA           17 GLU  HG-         2.60    (#    556:20  Unique         2.49, 2.69 A)
 &rst
  ixpk= 556, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 282, 283,
 &end
#
#   36 GLU  HA           36 GLU  HG-         2.60    (#    558:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:560     17 GLU  HG-         2.20    (#    560:20  Single Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 279, 280, 279, 280,
 igr2= 282, 283,
 &end
#
#    0 AMB  20-2:561      0 AMB  20-1:561    2.20    (#    561:20  Double Ambig)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 279, 280, 279, 280,
 igr2= 282, 283, 282, 283,
 &end
#
#    0 AMB  20-2:562      0 AMB  20-1:562    2.60    (#    562:20  Double Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  66,  67,  68,  70,  71,  72, 246, 247, 248, 250,
       251, 252,
 igr2= 282, 283, 282, 283,
 &end
#
#    0 AMB  20-2:563     17 GLU  HG-         2.60    (#    563:20  Single Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  66,  67,  68,  70,  71,  72, 246, 247, 248, 250,
       251, 252,
 igr2= 282, 283,
 &end
#
#   18 THR  HN           18 THR  HB          3.50    (#    564:20  Unique         3.48, 3.53 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 LYS  HN           18 THR  HB          6.00    (#    565:20  Unique         3.63, 3.72 A)
 &rst
  ixpk= 565, nxpk= 20, iat= 304, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:566     18 THR  HB          6.00    (#    566:20  Single Ambig)
 &rst
  ixpk= 566, nxpk= 20, iat= 275, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 HIS  HD2          18 THR  HB          3.50    (#    567:20  Unique         3.53, 3.56 A)
 &rst
  ixpk= 567, nxpk= 20, iat= 368, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HD           18 THR  HB          6.00    (#    568:20  Unique         5.12, 7.17 A)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#   23 HIS  HB+          18 THR  HB          3.50    (#    569:20  Unique         2.25, 2.90 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 358, 359,
 &end
#
#   23 HIS  HB-          18 THR  HB          6.00    (#    570:20  Unique         2.25, 2.90 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 358, 359,
 &end
#
#    0 AMB  20-2:571     18 THR  HB          6.00    (#    571:20  Single Ambig)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 279, 280, 279, 280,
 &end
#
#   26 LEU  HB+          18 THR  HB          6.00    (#    572:20  Unique         4.50, 5.05 A)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 412, 413,
 &end
#
#    0 AMB  20-2:573     18 THR  HB          6.00    (#    573:20  Single Ambig)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#   16 ILE  MG2          18 THR  HB          6.00    (#    574:20  Unique         6.48, 7.20 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#   26 LEU  MDX          18 THR  HB          6.00    (#    575:20  Unique         4.62, 6.25 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   18 THR  MG2          18 THR  HB          2.20    (#    576:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 296, 297, 298,
 &end
#
#   18 THR  HN           18 THR  MG2         2.60    (#    580:20  Unique         2.59, 3.27 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 296, 297, 298,
 &end
#
#    7 TYR  HD           18 THR  MG2         3.50    (#    581:20  Unique         2.81, 5.42 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 132,
 igr2= 296, 297, 298,
 &end
#
#    7 TYR  HE           18 THR  MG2         2.60    (#    582:20  Unique         2.27, 4.74 A)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 125, 130,
 igr2= 296, 297, 298,
 &end
#
#   17 GLU  HA           18 THR  MG2         3.50    (#    583:20  Unique         3.57, 4.62 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 296, 297, 298,
 &end
#
#   18 THR  HB           18 THR  MG2         2.20    (#    585:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 296, 297, 298,
 &end
#
#   23 HIS  HB+          18 THR  MG2         3.50    (#    586:20  Unique         2.46, 3.94 A)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 358, 359,
 igr2= 296, 297, 298,
 &end
#
#   26 LEU  MDY          18 THR  MG2         3.50    (#    589:20  Unique         2.25, 4.58 A)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 296, 297, 298,
 &end
#
#   16 ILE  MD1          18 THR  MG2         3.50    (#    590:20  Unique         4.11, 5.59 A)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 269, 270, 271,
 igr2= 296, 297, 298,
 &end
#
#   19 LYS  HN           19 LYS  HB+         6.00    (#    591:20  Unique         2.38, 2.96 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 308, 309,
 &end
#
#   19 LYS  HN           19 LYS  HB-         6.00    (#    592:20  Unique         2.38, 2.96 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 308, 309,
 &end
#
#   19 LYS  HG+          19 LYS  HB-         3.50    (#    593:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#    0 AMB  20-2:594     19 LYS  HB-         6.00    (#    594:20  Single Ambig)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 317, 318, 317, 318,
 igr2= 308, 309,
 &end
#
#    0 AMB  20-2:595      0 AMB  20-1:595    2.20    (#    595:20  Double Ambig)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 314, 315, 314, 315,
 igr2= 308, 309, 308, 309,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    3.50    (#    596:20  Double Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  66,  67,  68,  70,  71,  72, 711, 712, 713, 715,
       716, 717,
 igr2= 311, 312, 311, 312,  45,  46,
 &end
#
#    4 VAL  MGY          19 LYS  HG+         3.50    (#    597:20  Unique         2.39, 5.49 A)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 311, 312,
 &end
#
#    4 VAL  MGY          19 LYS  HG-         3.50    (#    598:20  Unique         2.39, 5.49 A)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 311, 312,
 &end
#
#    0 AMB  20-2:599      3 LYS  HG-         3.50    (#    599:20  Single Ambig)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 742, 743, 742, 743,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:600      0 AMB  20-1:600    2.20    (#    600:20  Double Ambig)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 311, 312, 311, 312, 311, 312,
 igr2= 314, 315, 314, 315, 314, 315,
 &end
#
#   20 GLY  HN           20 GLY  HA+         4.50    (#    604:20  Unique         2.54, 2.84 A)
 &rst
  ixpk= 604, nxpk= 20, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 328, 329,
 &end
#
#    0 AMB  20-2:605      0 AMB  20-1:605    5.00    (#    605:20  Double Ambig)
 &rst
  ixpk= 605, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 328, 329,
 &end
#
#   20 GLY  HN            0 AMB  20-1:606    4.30    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 328, 329,
 &end
#
#    0 AMB  20-2:609      0 AMB  20-1:609    4.50    (#    609:20  Double Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 335, 336, 335, 336,
 &end
#
#   22 ASN  HB+          22 ASN  HA          6.00    (#    612:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 344, 345,
 &end
#
#    0 AMB  20-2:613     22 ASN  HA          6.00    (#    613:20  Single Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 344, 345,
 &end
#
#   19 LYS  HB+          19 LYS  HA          6.00    (#    614:20  Unique         2.41, 2.70 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 308, 309,
 &end
#
#   22 ASN  HN           22 ASN  HB+         6.00    (#    615:20  Unique         2.39, 2.69 A)
 &rst
  ixpk= 615, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 344, 345,
 &end
#
#   22 ASN  HN           22 ASN  HB-         6.00    (#    616:20  Unique         2.39, 2.69 A)
 &rst
  ixpk= 616, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 344, 345,
 &end
#
#   22 ASN  HD2+         22 ASN  HB+         6.00    (#    617:20  Unique         2.23, 3.23 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 349, 350,
 igr2= 344, 345,
 &end
#
#   22 ASN  HD2+         22 ASN  HB-         3.50    (#    618:20  Unique         2.23, 3.23 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 349, 350,
 igr2= 344, 345,
 &end
#
#   25 THR  HN           23 HIS  HA          6.00    (#    634:20  Unique         4.14, 4.33 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 394, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 LYS  HN           23 HIS  HA          3.50    (#    635:20  Unique         2.15, 2.22 A)
 &rst
  ixpk= 635, nxpk= 20, iat= 372, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 HIS  HN           23 HIS  HA          6.00    (#    636:20  Unique         2.76, 2.90 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 HIS  HD2          23 HIS  HA          3.50    (#    637:20  Unique         2.86, 3.06 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 368, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 HIS  HB+          23 HIS  HA          2.60    (#    641:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 358, 359,
 &end
#
#   23 HIS  HB-          23 HIS  HA          2.60    (#    642:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 358, 359,
 &end
#
#   24 LYS  HB-          23 HIS  HA          6.00    (#    643:20  Unique         4.19, 4.83 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 376, 377,
 &end
#
#    0 AMB  20-2:644     23 HIS  HA          6.00    (#    644:20  Single Ambig)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 412, 413,
 &end
#
#   23 HIS  HN           23 HIS  HB-         6.00    (#    647:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 647, nxpk= 20, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#   23 HIS  HN           23 HIS  HB+         6.00    (#    648:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 648, nxpk= 20, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#   26 LEU  HN           23 HIS  HB+         6.00    (#    649:20  Unique         3.23, 4.16 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#   26 LEU  HN           23 HIS  HB-         3.50    (#    650:20  Unique         3.23, 4.16 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 358, 359,
 &end
#
#   23 HIS  HD2          23 HIS  HB-         6.00    (#    651:20  Unique         2.64, 3.29 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#   23 HIS  HD2          23 HIS  HB+         3.50    (#    652:20  Unique         2.64, 3.29 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 358, 359,
 &end
#
#   23 HIS  HA           23 HIS  HB+         2.60    (#    655:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 655, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 358, 359,
 &end
#
#   18 THR  HB           23 HIS  HB+         3.50    (#    656:20  Unique         2.25, 2.90 A)
 &rst
  ixpk= 656, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 358, 359,
 &end
#
#   18 THR  HB           23 HIS  HB-         6.00    (#    657:20  Unique         2.25, 2.90 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#   23 HIS  HA           23 HIS  HB-         3.50    (#    658:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 658, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 358, 359,
 &end
#
#   26 LEU  HB+          23 HIS  HB+         3.50    (#    668:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 412, 413,
 igr2= 358, 359,
 &end
#
#   26 LEU  HB+          23 HIS  HB-         3.50    (#    669:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 412, 413,
 igr2= 358, 359,
 &end
#
#   26 LEU  HB-          23 HIS  HB+         3.50    (#    670:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 412, 413,
 igr2= 358, 359,
 &end
#
#   18 THR  MG2          23 HIS  HB+         3.50    (#    671:20  Unique         2.46, 3.94 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 296, 297, 298,
 igr2= 358, 359,
 &end
#
#   26 LEU  HB-          23 HIS  HB-         2.60    (#    672:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 412, 413,
 igr2= 358, 359,
 &end
#
#   18 THR  MG2          23 HIS  HB-         3.50    (#    673:20  Unique         2.46, 3.94 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 296, 297, 298,
 igr2= 358, 359,
 &end
#
#   26 LEU  MDX          23 HIS  HB+         6.00    (#    674:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 358, 359,
 &end
#
#   26 LEU  MDX          23 HIS  HB-         6.00    (#    675:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 358, 359,
 &end
#
#   26 LEU  MDY          23 HIS  HB+         6.00    (#    677:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 358, 359,
 &end
#
#   26 LEU  MDY          23 HIS  HB-         6.00    (#    678:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 358, 359,
 &end
#
#   25 THR  HN           24 LYS  HA          6.00    (#    682:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 394, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 LYS  HN           24 LYS  HA          6.00    (#    683:20  Unique         2.67, 2.74 A)
 &rst
  ixpk= 683, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HN           24 LYS  HA          6.00    (#    684:20  Unique         3.83, 3.97 A)
 &rst
  ixpk= 684, nxpk= 20, iat= 449, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:685     24 LYS  HA          3.50    (#    685:20  Single Ambig)
 &rst
  ixpk= 685, nxpk= 20, iat= 427, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:686     24 LYS  HA          6.00    (#    686:20  Single Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 440, 441, 385, 386, 385, 386,
 &end
#
#   24 LYS  HB+          24 LYS  HA          2.60    (#    687:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 376, 377,
 &end
#
#   24 LYS  HB-          24 LYS  HA          2.60    (#    688:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 376, 377,
 &end
#
#    0 AMB  20-2:689     24 LYS  HA          2.60    (#    689:20  Single Ambig)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 382, 383, 382, 383,
 &end
#
#   24 LYS  HG+          24 LYS  HA          3.50    (#    690:20  Unique         2.37, 3.45 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 379, 380,
 &end
#
#   24 LYS  HG-          24 LYS  HA          3.50    (#    691:20  Unique         2.37, 3.45 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 379, 380,
 &end
#
#   25 THR  HN           24 LYS  HB+         6.00    (#    693:20  Unique         2.53, 3.24 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 376, 377,
 &end
#
#   25 THR  HN           24 LYS  HB-         3.50    (#    694:20  Unique         2.53, 3.24 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   24 LYS  HN           24 LYS  HB+         6.00    (#    695:20  Unique         2.07, 2.73 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 376, 377,
 &end
#
#   24 LYS  HN           24 LYS  HB-         6.00    (#    696:20  Unique         2.07, 2.73 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 376, 377,
 &end
#
#   23 HIS  HA           24 LYS  HB+         6.00    (#    700:20  Unique         4.19, 4.83 A)
 &rst
  ixpk= 700, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 376, 377,
 &end
#
#   24 LYS  HA           24 LYS  HB+         2.60    (#    701:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 701, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 376, 377,
 &end
#
#   24 LYS  HA           24 LYS  HB-         2.60    (#    702:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 702, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:703     24 LYS  HB-         6.00    (#    703:20  Single Ambig)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 385, 386, 385, 386,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG-          24 LYS  HB+         3.50    (#    705:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG-          24 LYS  HB-         2.60    (#    706:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG+          24 LYS  HB+         2.60    (#    707:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG+          24 LYS  HB-         2.60    (#    708:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:713      0 AMB  20-1:713    3.50    (#    713:20  Double Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 374, 396,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  20-2:714     24 LYS  HG-         3.50    (#    714:20  Single Ambig)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 374, 396,
 igr2= 379, 380,
 &end
#
#    0 AMB  20-2:715      0 AMB  20-1:715    3.50    (#    715:20  Double Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 385, 386, 385, 386,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  20-2:716     24 LYS  HG-         3.50    (#    716:20  Single Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 385, 386, 385, 386,
 igr2= 379, 380,
 &end
#
#   24 LYS  HB+          24 LYS  HG+         2.20    (#    717:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 376, 377,
 igr2= 379, 380,
 &end
#
#   24 LYS  HB+          24 LYS  HG-         2.60    (#    718:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 376, 377,
 igr2= 379, 380,
 &end
#
#   24 LYS  HB-          24 LYS  HG-         2.60    (#    719:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 376, 377,
 igr2= 379, 380,
 &end
#
#    0 AMB  20-2:720     24 LYS  HG-         2.20    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 382, 383, 382, 383,
 igr2= 379, 380,
 &end
#
#    0 AMB  20-2:721      0 AMB  20-1:721    2.20    (#    721:20  Double Ambig)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 382, 383, 382, 383, 437, 438,
 igr2= 379, 380, 379, 380, 379, 380,
 &end
#
#    0 AMB  20-2:722      0 AMB  20-1:722    2.20    (#    722:20  Double Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 376, 377, 376, 377,
 igr2= 382, 383, 382, 383,
 &end
#
#    0 AMB  20-2:723      0 AMB  20-1:723    3.50    (#    723:20  Double Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 379, 380,  45,  46,  45,  46,
 igr2= 385, 386, 385, 386,  51,  52,  51,  52,
 &end
#
#   25 THR  HN           25 THR  HA          3.50    (#    724:20  Unique         2.78, 2.81 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 394, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 TRP  HN           25 THR  HA          6.00    (#    725:20  Unique         4.05, 4.16 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 464, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 LYS  HN           25 THR  HA          6.00    (#    726:20  Unique         4.58, 4.68 A)
 &rst
  ixpk= 726, nxpk= 20, iat= 427, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:727     25 THR  HA          3.50    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 449, 364,
 &end
#
#   26 LEU  HN           25 THR  HA          6.00    (#    729:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 408, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HA           25 THR  HA          6.00    (#    730:20  Unique         5.34, 5.44 A)
 &rst
  ixpk= 730, nxpk= 20, iat= 451, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HB           25 THR  HA          3.50    (#    732:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 732, nxpk= 20, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:733     25 THR  HA          6.00    (#    733:20  Single Ambig)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 456, 457, 533, 534,
 &end
#
#   28 GLU  HB+          25 THR  HA          3.50    (#    734:20  Unique         2.43, 3.34 A)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 453, 454,
 &end
#
#   28 GLU  HG-          25 THR  HA          6.00    (#    735:20  Unique         3.86, 4.59 A)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB-          25 THR  HA          3.50    (#    736:20  Unique         2.43, 3.34 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 453, 454,
 &end
#
#    0 AMB  20-2:737     25 THR  HA          6.00    (#    737:20  Single Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 382, 383, 382, 383,
 &end
#
#   24 LYS  HG-          25 THR  HA          6.00    (#    739:20  Unique         3.81, 5.73 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   25 THR  MG2          25 THR  HA          2.60    (#    740:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 400, 401, 402,
 &end
#
#   16 ILE  MD1          25 THR  HA          6.00    (#    741:20  Unique         4.77, 5.54 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   25 THR  HN           25 THR  HB          3.50    (#    742:20  Unique         2.58, 2.79 A)
 &rst
  ixpk= 742, nxpk= 20, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 HIS  HE1          25 THR  HB          2.60    (#    743:20  Unique         2.63, 2.66 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 364, 398, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   26 LEU  HN           25 THR  HB          3.50    (#    744:20  Unique         2.76, 2.88 A)
 &rst
  ixpk= 744, nxpk= 20, iat= 408, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 THR  HA           25 THR  HB          3.50    (#    747:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:748     25 THR  HB          6.00    (#    748:20  Single Ambig)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 266, 267, 415,
 &end
#
#    0 AMB  20-2:749     25 THR  HB          2.60    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 400, 401, 402, 262, 263, 264,
 &end
#
#   16 ILE  MD1          25 THR  HB          3.50    (#    750:20  Unique         2.58, 3.40 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#   16 ILE  MD1          25 THR  MG2         2.60    (#    752:20  Unique         2.78, 4.50 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 269, 270, 271,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:754     25 THR  MG2         6.00    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 453, 454, 162, 163,
 igr2= 400, 401, 402,
 &end
#
#   25 THR  HB           25 THR  MG2         2.20    (#    755:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 755, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 400, 401, 402,
 &end
#
#   25 THR  HA           25 THR  MG2         2.60    (#    756:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 756, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HZ2          25 THR  MG2         3.50    (#    757:20  Unique         3.21, 3.79 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:758     25 THR  MG2         3.50    (#    758:20  Single Ambig)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 364, 449,
 igr2= 400, 401, 402,
 &end
#
#   25 THR  HN           25 THR  MG2         6.00    (#    759:20  Unique         4.17, 4.52 A)
 &rst
  ixpk= 759, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HE1          25 THR  MG2         3.50    (#    760:20  Unique         2.78, 3.43 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 400, 401, 402,
 &end
#
#   16 ILE  HG1+         25 THR  MG2         6.00    (#    766:20  Unique         4.91, 6.10 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 266, 267,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HN           26 LEU  HA          3.50    (#    768:20  Unique         3.17, 3.29 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 464, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HN           26 LEU  HA          6.00    (#    769:20  Unique         3.98, 4.05 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 488, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:770     26 LEU  HA          6.00    (#    770:20  Single Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat= 427, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HE3          26 LEU  HA          6.00    (#    771:20  Unique         6.06, 6.11 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 673, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           26 LEU  HA          3.50    (#    772:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 772, nxpk= 20, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:773     26 LEU  HA          6.00    (#    773:20  Single Ambig)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 396, 429, 374,
 &end
#
#    0 AMB  20-2:774     26 LEU  HA          2.60    (#    774:20  Single Ambig)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 468, 469, 468, 469,
 &end
#
#    7 TYR  HB+          26 LEU  HA          6.00    (#    775:20  Unique         5.20, 5.59 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    0 AMB  20-2:777     26 LEU  HA          6.00    (#    777:20  Single Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 431, 432, 431, 432, 614,
 &end
#
#   26 LEU  HB+          26 LEU  HA          2.60    (#    778:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 412, 413,
 &end
#
#   26 LEU  HB-          26 LEU  HA          2.60    (#    779:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 412, 413,
 &end
#
#   38 VAL  MGY          26 LEU  HA          6.00    (#    780:20  Unique         3.86, 5.39 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:781     26 LEU  HA          3.50    (#    781:20  Single Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624, 400, 401, 402, 262,
       263, 264,
 &end
#
#   26 LEU  MDX          26 LEU  HA          3.50    (#    782:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY          26 LEU  HA          2.60    (#    783:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          26 LEU  HA          3.50    (#    784:20  Unique         2.64, 3.40 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#   28 GLU  HN           26 LEU  HA          6.00    (#    785:20  Unique         4.57, 4.63 A)
 &rst
  ixpk= 785, nxpk= 20, iat= 449, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:789      0 AMB  20-1:789    2.60    (#    789:20  Double Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:790     26 LEU  HB-         3.50    (#    790:20  Single Ambig)
 &rst
  ixpk= 790, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   26 LEU  HN           26 LEU  HB+         2.60    (#    791:20  Unique         2.35, 2.55 A)
 &rst
  ixpk= 791, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 412, 413,
 &end
#
#   26 LEU  HN           26 LEU  HB-         2.60    (#    792:20  Unique         2.35, 2.55 A)
 &rst
  ixpk= 792, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:793      0 AMB  20-1:793    6.00    (#    793:20  Double Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 429, 396,
 igr2= 412, 413, 412, 413,
 &end
#
#    0 AMB  20-2:794     26 LEU  HB-         6.00    (#    794:20  Single Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 429, 374, 396,
 igr2= 412, 413,
 &end
#
#   25 THR  HB           26 LEU  HB-         6.00    (#    795:20  Unique         4.17, 4.72 A)
 &rst
  ixpk= 795, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 412, 413,
 &end
#
#   26 LEU  HA           26 LEU  HB-         3.50    (#    796:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 796, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   26 LEU  HA           26 LEU  HB+         2.60    (#    797:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 412, 413,
 &end
#
#   23 HIS  HB+          26 LEU  HB+         3.50    (#    798:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 358, 359,
 igr2= 412, 413,
 &end
#
#   23 HIS  HB+          26 LEU  HB-         3.50    (#    799:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 358, 359,
 igr2= 412, 413,
 &end
#
#   23 HIS  HB-          26 LEU  HB+         2.60    (#    800:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 358, 359,
 igr2= 412, 413,
 &end
#
#   23 HIS  HB-          26 LEU  HB-         3.50    (#    801:20  Unique         2.59, 3.80 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 358, 359,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:802      0 AMB  20-1:802    6.00    (#    802:20  Double Ambig)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 495, 496, 431, 432, 431, 432,
 igr2= 412, 413, 412, 413, 412, 413,
 &end
#
#    0 AMB  20-2:803     26 LEU  HB-         6.00    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 495, 496, 431, 432, 431, 432,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:804     26 LEU  HB-         6.00    (#    804:20  Single Ambig)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 260,  80,  81,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:805     26 LEU  HB-         6.00    (#    805:20  Single Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 618, 619, 620, 622, 623, 624, 400, 401, 402, 262,
       263, 264,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDX          26 LEU  HB+         2.60    (#    806:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDX          26 LEU  HB-         3.50    (#    807:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDY          26 LEU  HB-         3.50    (#    808:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDY          26 LEU  HB+         3.50    (#    809:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   16 ILE  MD1          26 LEU  HB-         3.50    (#    810:20  Unique         2.50, 4.03 A)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 269, 270, 271,
 igr2= 412, 413,
 &end
#
#   16 ILE  MD1          26 LEU  HB+         6.00    (#    811:20  Unique         2.50, 4.03 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 269, 270, 271,
 igr2= 412, 413,
 &end
#
#   38 VAL  MGY          26 LEU  HB+         6.00    (#    812:20  Unique         5.19, 7.09 A)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 412, 413,
 &end
#
#   27 LYS  HG-          26 LEU  HB+         6.00    (#    813:20  Unique         3.55, 5.18 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 434, 435,
 igr2= 412, 413,
 &end
#
#   27 LYS  HG-          26 LEU  HB-         6.00    (#    814:20  Unique         3.55, 5.18 A)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 434, 435,
 igr2= 412, 413,
 &end
#
#   30 LYS  HE+          26 LEU  HB+         6.00    (#    817:20  Unique         6.21, 7.40 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:818      0 AMB  20-1:818    6.00    (#    818:20  Double Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 364, 449,
 igr2= 412, 413, 412, 413,
 &end
#
#   27 LYS  HN           26 LEU  HG          6.00    (#    819:20  Unique         3.44, 3.74 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 427, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN            0 AMB  20-1:820    6.00    (#    820:20  Single Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 415, 266, 267,
 &end
#
#   26 LEU  HA           26 LEU  HG          3.50    (#    822:20  Unique         2.75, 3.06 A)
 &rst
  ixpk= 822, nxpk= 20, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HE+          26 LEU  HG          6.00    (#    823:20  Unique         4.17, 4.84 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   38 VAL  MGY          26 LEU  HG          6.00    (#    824:20  Unique         2.66, 5.25 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:825     26 LEU  MDX         6.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 427, 628,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HN           26 LEU  MDX         6.00    (#    827:20  Unique         4.59, 5.24 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HD           26 LEU  MDX         6.00    (#    828:20  Unique         3.03, 4.84 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 123, 132,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HE           26 LEU  MDX         3.50    (#    830:20  Unique         2.63, 4.21 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 125, 130,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HA           26 LEU  MDX         3.50    (#    832:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HB-          26 LEU  MDX         6.00    (#    833:20  Unique         3.09, 5.39 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 119, 120,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   23 HIS  HB-          26 LEU  MDX         6.00    (#    834:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 358, 359,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HE+          26 LEU  MDX         6.00    (#    835:20  Unique         4.03, 5.95 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 501, 502,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:836     26 LEU  MDX         2.60    (#    836:20  Single Ambig)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 412, 413, 498, 499, 498, 499,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HB-          26 LEU  MDX         2.60    (#    837:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 412, 413,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:839     26 LEU  MDX         2.60    (#    839:20  Single Ambig)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 296, 297, 298, 495, 496,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   41 TRP  HE3          26 LEU  MDY         6.00    (#    840:20  Unique         4.50, 6.73 A)
 &rst
  ixpk= 840, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HN           26 LEU  MDY         6.00    (#    841:20  Unique         4.59, 5.24 A)
 &rst
  ixpk= 841, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HD           26 LEU  MDY         3.50    (#    842:20  Unique         3.03, 4.84 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 123, 132,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HE           26 LEU  MDY         3.50    (#    844:20  Unique         2.63, 4.21 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 125, 130,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:845     26 LEU  MDY         6.00    (#    845:20  Single Ambig)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 468, 469, 468, 469,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HA           26 LEU  MDY         2.60    (#    847:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 847, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HE+          26 LEU  MDY         6.00    (#    848:20  Unique         4.03, 5.95 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 501, 502,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:849     26 LEU  MDY         3.50    (#    849:20  Single Ambig)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 412, 413, 498, 499, 498, 499,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:850     26 LEU  MDY         2.60    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 412, 413, 415, 266, 267,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   38 VAL  MGY          26 LEU  MDY         2.60    (#    851:20  Unique         2.25, 5.67 A)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   38 VAL  MGX          26 LEU  MDY         3.50    (#    852:20  Unique         2.25, 5.67 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          26 LEU  MDY         3.50    (#    854:20  Unique         2.35, 5.13 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 269, 270, 271,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   29 TRP  HN           27 LYS  HA          6.00    (#    855:20  Unique         4.43, 4.52 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 464, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HN           27 LYS  HA          6.00    (#    856:20  Unique         3.29, 3.36 A)
 &rst
  ixpk= 856, nxpk= 20, iat= 488, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:857     27 LYS  HA          3.50    (#    857:20  Single Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 427, 510,
 &end
#
#   28 GLU  HN           27 LYS  HA          3.50    (#    858:20  Unique         3.57, 3.58 A)
 &rst
  ixpk= 858, nxpk= 20, iat= 449, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HE+          27 LYS  HA          6.00    (#    859:20  Unique         4.30, 5.04 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 440, 441,
 &end
#
#    0 AMB  20-2:860     27 LYS  HA          2.20    (#    860:20  Single Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 431, 432, 431, 432, 495, 496,
 &end
#
#    0 AMB  20-2:862     27 LYS  HA          2.60    (#    862:20  Single Ambig)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 434, 435, 498, 499, 498, 499,
 &end
#
#   30 LYS  HB-          27 LYS  HA          2.60    (#    863:20  Unique         2.63, 3.47 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   27 LYS  HG-          27 LYS  HA          2.60    (#    864:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 434, 435,
 &end
#
#   26 LEU  HG           27 LYS  HA          6.00    (#    865:20  Unique         3.62, 3.91 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  MGY          27 LYS  HA          6.00    (#    868:20  Unique         5.53, 7.03 A)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   28 GLU  HN            0 AMB  20-1:869    2.60    (#    869:20  Single Ambig)
 &rst
  ixpk= 869, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 431, 432, 431, 432,
 &end
#
#   27 LYS  HN            0 AMB  20-1:870    2.20    (#    870:20  Single Ambig)
 &rst
  ixpk= 870, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:872      0 AMB  20-1:872    3.50    (#    872:20  Double Ambig)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 451, 512,
 igr2= 431, 432, 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    3.50    (#    874:20  Double Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 440, 441, 440, 441,
 igr2= 431, 432, 431, 432,
 &end
#
#   27 LYS  HG-           0 AMB  20-1:876    2.60    (#    876:20  Single Ambig)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 434, 435,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:877      0 AMB  20-1:877    2.20    (#    877:20  Double Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 437, 438, 437, 438, 437, 438, 382, 383, 382, 383,
       382, 383,
 igr2= 431, 432, 431, 432, 431, 432, 431, 432, 431, 432,
      
 &end
#
#    0 AMB  20-2:878      0 AMB  20-1:878    3.50    (#    878:20  Double Ambig)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 412, 413,
 igr2= 431, 432, 431, 432,
 &end
#
#   27 LYS  HA            0 AMB  20-1:879    2.20    (#    879:20  Single Ambig)
 &rst
  ixpk= 879, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:882      0 AMB  20-1:882    2.60    (#    882:20  Double Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 431, 432, 431, 432,
 igr2= 434, 435, 434, 435,
 &end
#
#   27 LYS  HE+          27 LYS  HG+         3.50    (#    883:20  Unique         2.41, 2.98 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 440, 441,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:884      0 AMB  20-1:884    2.60    (#    884:20  Double Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 317, 318, 317, 318, 440, 441,
 igr2= 311, 312, 434, 435,
 &end
#
#   27 LYS  HA           27 LYS  HG+         3.50    (#    885:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 885, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 434, 435,
 &end
#
#   27 LYS  HA           27 LYS  HG-         2.60    (#    886:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 886, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 434, 435,
 &end
#
#   28 GLU  HN           27 LYS  HG-         6.00    (#    889:20  Unique         4.38, 4.80 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:890     27 LYS  HG-         6.00    (#    890:20  Single Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:891      0 AMB  20-1:891    3.50    (#    891:20  Double Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 434, 435, 434, 435,
 &end
#
#   24 LYS  HA            0 AMB  20-1:892    3.50    (#    892:20  Single Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 437, 438, 437, 438,
 &end
#
#   29 TRP  HN           28 GLU  HA          3.50    (#    893:20  Unique         3.57, 3.58 A)
 &rst
  ixpk= 893, nxpk= 20, iat= 464, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:894     28 GLU  HA          3.50    (#    894:20  Single Ambig)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 510, 427,
 &end
#
#   28 GLU  HN           28 GLU  HA          2.80    (#    895:20  Unique         2.73, 2.74 A)
 &rst
  ixpk= 895, nxpk= 20, iat= 449, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 LYS  HN           28 GLU  HA          6.00    (#    896:20  Unique         3.96, 4.05 A)
 &rst
  ixpk= 896, nxpk= 20, iat= 520, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:897     28 GLU  HA          3.50    (#    897:20  Single Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 456, 457, 533, 534,
 &end
#
#    0 AMB  20-2:898     28 GLU  HA          2.60    (#    898:20  Single Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 453, 454, 533, 534,
 &end
#
#   28 GLU  HG-          28 GLU  HA          2.60    (#    899:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB-          28 GLU  HA          2.60    (#    900:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 453, 454,
 &end
#
#    0 AMB  20-2:902     28 GLU  HA          3.50    (#    902:20  Single Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:903     28 GLU  HA          6.00    (#    903:20  Single Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493, 376, 377,
 &end
#
#   31 ALA  MB           28 GLU  HA          2.60    (#    904:20  Unique         2.63, 3.54 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  20-2:905     28 GLU  HA          6.00    (#    905:20  Single Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 379, 380, 434, 435,
 &end
#
#   29 TRP  HN           28 GLU  HB+         3.50    (#    906:20  Unique         2.67, 2.98 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#   29 TRP  HN           28 GLU  HB-         3.50    (#    907:20  Unique         2.67, 2.98 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:908      0 AMB  20-1:908    6.00    (#    908:20  Double Ambig)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 427, 510,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  20-2:909     28 GLU  HB-         6.00    (#    909:20  Single Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 427, 510,
 igr2= 453, 454,
 &end
#
#   28 GLU  HN           28 GLU  HB-         2.60    (#    910:20  Unique         2.27, 2.93 A)
 &rst
  ixpk= 910, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   28 GLU  HN           28 GLU  HB+         2.60    (#    911:20  Unique         2.27, 2.93 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:912      0 AMB  20-1:912    6.00    (#    912:20  Double Ambig)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 472, 520,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  20-2:913     28 GLU  HB-         6.00    (#    913:20  Single Ambig)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 472, 520,
 igr2= 453, 454,
 &end
#
#   28 GLU  HA           28 GLU  HB+         2.60    (#    914:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 914, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   28 GLU  HA           28 GLU  HB-         2.60    (#    915:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 915, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   25 THR  HA           28 GLU  HB-         3.50    (#    916:20  Unique         2.43, 3.34 A)
 &rst
  ixpk= 916, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#   25 THR  HA           28 GLU  HB+         3.50    (#    917:20  Unique         2.43, 3.34 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:918      0 AMB  20-1:918    2.20    (#    918:20  Double Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 533, 534, 456, 457,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  20-2:919     28 GLU  HB-         2.60    (#    919:20  Single Ambig)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 533, 534, 456, 457,
 igr2= 453, 454,
 &end
#
#   28 GLU  HG-          28 GLU  HB+         2.20    (#    920:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 456, 457,
 igr2= 453, 454,
 &end
#
#   28 GLU  HG-          28 GLU  HB-         2.20    (#    921:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 456, 457,
 igr2= 453, 454,
 &end
#
#   31 ALA  MB           28 GLU  HB-         6.00    (#    926:20  Unique         4.60, 6.12 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 453, 454,
 &end
#
#   25 THR  MG2          28 GLU  HB+         6.00    (#    927:20  Unique         3.95, 5.23 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 453, 454,
 &end
#
#   25 THR  MG2          28 GLU  HB-         6.00    (#    928:20  Unique         3.95, 5.23 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 453, 454,
 &end
#
#   29 TRP  HN           28 GLU  HG-         6.00    (#    929:20  Unique         4.65, 4.87 A)
 &rst
  ixpk= 929, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   29 TRP  HN           28 GLU  HG+         6.00    (#    930:20  Unique         4.65, 4.87 A)
 &rst
  ixpk= 930, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:931      0 AMB  20-1:931    6.00    (#    931:20  Double Ambig)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 427, 510,
 igr2= 456, 457, 456, 457,
 &end
#
#    0 AMB  20-2:932     28 GLU  HG-         6.00    (#    932:20  Single Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 427, 510,
 igr2= 456, 457,
 &end
#
#   28 GLU  HN           28 GLU  HG-         3.50    (#    933:20  Unique         2.63, 3.23 A)
 &rst
  ixpk= 933, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:934     28 GLU  HG-         6.00    (#    934:20  Single Ambig)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 472, 520,
 igr2= 456, 457,
 &end
#
#   32 LYS  HN           28 GLU  HG+         6.00    (#    935:20  Unique         5.57, 6.24 A)
 &rst
  ixpk= 935, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   28 GLU  HN           28 GLU  HG+         2.60    (#    936:20  Unique         2.63, 3.23 A)
 &rst
  ixpk= 936, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 456, 457,
 &end
#
#   28 GLU  HA           28 GLU  HG+         3.50    (#    937:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 456, 457,
 &end
#
#   28 GLU  HA           28 GLU  HG-         2.60    (#    938:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:940      0 AMB  20-1:940    3.50    (#    940:20  Double Ambig)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 396, 429,
 igr2= 456, 457, 456, 457,
 &end
#
#    0 AMB  20-2:941     28 GLU  HG-         6.00    (#    941:20  Single Ambig)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 396, 429,
 igr2= 456, 457,
 &end
#
#   28 GLU  HB+          28 GLU  HG+         2.60    (#    942:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 453, 454,
 igr2= 456, 457,
 &end
#
#   28 GLU  HB-          28 GLU  HG+         2.60    (#    943:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 453, 454,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:944      0 AMB  20-1:944    6.00    (#    944:20  Double Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 431, 432, 431, 432,
 igr2= 456, 457, 456, 457,
 &end
#
#    0 AMB  20-2:945     28 GLU  HG-         6.00    (#    945:20  Single Ambig)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 431, 432, 431, 432,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:946      0 AMB  20-1:946    6.00    (#    946:20  Double Ambig)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 382, 383, 382, 383,
 igr2= 456, 457, 456, 457,
 &end
#
#    0 AMB  20-2:947     28 GLU  HG-         6.00    (#    947:20  Single Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 382, 383, 382, 383,
 igr2= 456, 457,
 &end
#
#   28 GLU  HB-          28 GLU  HG-         2.20    (#    948:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 453, 454,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:949     28 GLU  HG-         2.20    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 453, 454, 533, 534,
 igr2= 456, 457,
 &end
#
#   32 LYS  HB-          29 TRP  HA          3.50    (#    950:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#    0 AMB  20-2:951     29 TRP  HA          2.60    (#    951:20  Single Ambig)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 468, 469, 468, 469,
 &end
#
#   33 TRP  HZ3          29 TRP  HA          6.00    (#    953:20  Unique         2.49, 2.64 A)
 &rst
  ixpk= 953, nxpk= 20, iat= 559, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:954     29 TRP  HA          2.60    (#    954:20  Single Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 472, 520,
 &end
#
#   33 TRP  HE3          29 TRP  HA          3.50    (#    955:20  Unique         2.09, 2.18 A)
 &rst
  ixpk= 955, nxpk= 20, iat= 561, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 TRP  HN           29 TRP  HA          3.50    (#    957:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 957, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 LYS  HB+          29 TRP  HA          6.00    (#    960:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 524, 525,
 &end
#
#   29 TRP  HN            0 AMB  20-1:961    2.60    (#    961:20  Single Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 468, 469, 468, 469,
 &end
#
#   30 LYS  HN            0 AMB  20-1:962    3.50    (#    962:20  Single Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 468, 469, 468, 469,
 &end
#
#   33 TRP  HE3           0 AMB  20-1:963    3.50    (#    963:20  Single Ambig)
 &rst
  ixpk= 963, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 468, 469, 468, 469,
 &end
#
#    0 AMB  20-2:964      0 AMB  20-1:964    3.50    (#    964:20  Double Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 472, 520,
 igr2= 468, 469, 468, 469, 468, 469,
 &end
#
#   41 TRP  HE3           0 AMB  20-1:965    3.50    (#    965:20  Single Ambig)
 &rst
  ixpk= 965, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 468, 469, 468, 469,
 &end
#
#   26 LEU  HN            0 AMB  20-1:966    6.00    (#    966:20  Single Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 468, 469, 468, 469,
 &end
#
#   33 TRP  HZ3           0 AMB  20-1:967    6.00    (#    967:20  Single Ambig)
 &rst
  ixpk= 967, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 468, 469, 468, 469,
 &end
#
#   41 TRP  HZ3           0 AMB  20-1:968    3.50    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 468, 469, 468, 469,
 &end
#
#   29 TRP  HA            0 AMB  20-1:969    2.60    (#    969:20  Single Ambig)
 &rst
  ixpk= 969, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 468, 469, 468, 469,
 &end
#
#   26 LEU  HA            0 AMB  20-1:971    2.60    (#    971:20  Single Ambig)
 &rst
  ixpk= 971, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 468, 469, 468, 469,
 &end
#
#    0 AMB  20-2:972      0 AMB  20-1:972    6.00    (#    972:20  Double Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
 igr1= 614, 431, 432, 431, 432, 431, 432,
 igr2= 468, 469, 468, 469, 468, 469, 468, 469,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    6.00    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 415, 524, 525, 412, 413, 530, 531, 530, 531,
 igr2= 468, 469, 468, 469, 468, 469, 468, 469, 468, 469,
      
 &end
#
#   38 VAL  MGY           0 AMB  20-1:974    2.60    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 468, 469, 468, 469,
 &end
#
#   26 LEU  MDX           0 AMB  20-1:975    6.00    (#    975:20  Single Ambig)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 468, 469, 468, 469,
 &end
#
#   38 VAL  MGX           0 AMB  20-1:976    2.60    (#    976:20  Single Ambig)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 468, 469, 468, 469,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:977    3.50    (#    977:20  Single Ambig)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 468, 469, 468, 469,
 &end
#
#   16 ILE  MD1           0 AMB  20-1:978    6.00    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 269, 270, 271,
 igr2= 468, 469, 468, 469,
 &end
#
#    0 AMB  20-2:979      0 AMB  20-1:979    6.00    (#    979:20  Double Ambig)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 658, 659, 658, 659, 583, 522,
 igr2= 468, 469, 468, 469, 468, 469, 468, 469,
 &end
#
#   30 LYS  HN           30 LYS  HA          3.50    (#    980:20  Unique         2.90, 2.91 A)
 &rst
  ixpk= 980, nxpk= 20, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HN           30 LYS  HA          6.00    (#    981:20  Unique         3.78, 3.83 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 542, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:982     30 LYS  HA          3.50    (#    982:20  Single Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 510, 628,
 &end
#
#    0 AMB  20-2:983     30 LYS  HA          3.50    (#    983:20  Single Ambig)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 520,
 &end
#
#   38 VAL  HN           30 LYS  HA          6.00    (#    984:20  Unique         4.19, 4.23 A)
 &rst
  ixpk= 984, nxpk= 20, iat= 612, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:985     30 LYS  HA          6.00    (#    985:20  Single Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 512, 451,
 &end
#
#   35 PRO  HA           30 LYS  HA          3.50    (#    986:20  Unique         2.62, 2.70 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 583, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PRO  HB+          30 LYS  HA          6.00    (#    990:20  Unique         3.95, 4.65 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 580, 581,
 &end
#
#   30 LYS  HG+          30 LYS  HA          2.60    (#    991:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 495, 496,
 &end
#
#   30 LYS  HB-          30 LYS  HA          2.60    (#    992:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           30 LYS  HA          6.00    (#    993:20  Unique         5.78, 6.09 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  20-2:994     30 LYS  HA          6.00    (#    994:20  Single Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 498, 499, 498, 499,
 &end
#
#   30 LYS  HG-          30 LYS  HA          2.60    (#    995:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HA          3.50    (#    996:20  Unique         2.29, 3.85 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          30 LYS  HA          2.60    (#    997:20  Unique         2.29, 3.85 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:998     30 LYS  HA          3.50    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 574, 575, 429,
 &end
#
#   30 LYS  HN           30 LYS  HB-         3.50    (#    999:20  Unique         2.46, 3.08 A)
 &rst
  ixpk= 999, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#   30 LYS  HN           30 LYS  HB+         2.60    (#   1000:20  Unique         2.46, 3.08 A)
 &rst
  ixpk= 1000, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 492, 493,
 &end
#
#   31 ALA  HN           30 LYS  HB-         3.50    (#   1001:20  Unique         2.69, 3.21 A)
 &rst
  ixpk= 1001, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#   31 ALA  HN           30 LYS  HB+         3.50    (#   1002:20  Unique         2.69, 3.21 A)
 &rst
  ixpk= 1002, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:1003     0 AMB  20-1:1003   6.00    (#   1003:20  Double Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 566, 520,
 igr2= 492, 493, 492, 493,
 &end
#
#    0 AMB  20-2:1004    30 LYS  HB-         6.00    (#   1004:20  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 566, 520,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:1005     0 AMB  20-1:1005   2.60    (#   1005:20  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 277, 100,
 igr2= 279, 280, 279, 280,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   3.50    (#   1006:20  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 512, 451,
 igr2= 492, 493, 492, 493,
 &end
#
#   35 PRO  HA           30 LYS  HB-         2.60    (#   1007:20  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1007, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 492, 493,
 &end
#
#   30 LYS  HA           30 LYS  HB-         2.60    (#   1008:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1008, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 492, 493,
 &end
#
#   30 LYS  HA           30 LYS  HB+         3.50    (#   1009:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1009, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#   27 LYS  HA           30 LYS  HB+         2.60    (#   1010:20  Unique         2.63, 3.47 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 492, 493,
 &end
#
#   27 LYS  HA           30 LYS  HB-         2.60    (#   1011:20  Unique         2.63, 3.47 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 492, 493,
 &end
#
#   30 LYS  HE-          30 LYS  HB-         6.00    (#   1013:20  Unique         2.67, 3.71 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 492, 493,
 &end
#
#   30 LYS  HE+          30 LYS  HB-         6.00    (#   1014:20  Unique         2.67, 3.71 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 492, 493,
 &end
#
#   35 PRO  HB+          30 LYS  HB-         3.50    (#   1015:20  Unique         2.21, 3.95 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 580, 581,
 igr2= 492, 493,
 &end
#
#   30 LYS  HG-          30 LYS  HB+         2.60    (#   1016:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 495, 496,
 igr2= 492, 493,
 &end
#
#   30 LYS  HG-          30 LYS  HB-         2.60    (#   1017:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 495, 496,
 igr2= 492, 493,
 &end
#
#   38 VAL  MGX          30 LYS  HB-         3.50    (#   1018:20  Unique         4.44, 5.63 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 492, 493,
 &end
#
#   30 LYS  HN           30 LYS  HG+         3.50    (#   1019:20  Unique         2.24, 2.89 A)
 &rst
  ixpk= 1019, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 495, 496,
 &end
#
#   30 LYS  HN           30 LYS  HG-         3.50    (#   1020:20  Unique         2.24, 2.89 A)
 &rst
  ixpk= 1020, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 495, 496,
 &end
#
#    0 AMB  20-2:1021     0 AMB  20-1:1021   6.00    (#   1021:20  Double Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 628, 510, 427,
 igr2= 495, 496, 495, 496, 495, 496,
 &end
#
#    0 AMB  20-2:1022    30 LYS  HG-         6.00    (#   1022:20  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 628, 510, 427,
 igr2= 495, 496,
 &end
#
#    0 AMB  20-2:1023    30 LYS  HG-         6.00    (#   1023:20  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 612, 123, 132,
 igr2= 495, 496,
 &end
#
#   35 PRO  HA           30 LYS  HG-         2.60    (#   1024:20  Unique         2.12, 3.01 A)
 &rst
  ixpk= 1024, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 495, 496,
 &end
#
#   35 PRO  HA           30 LYS  HG+         3.50    (#   1025:20  Unique         2.12, 3.01 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 495, 496,
 &end
#
#   27 LYS  HA           30 LYS  HG+         6.00    (#   1026:20  Unique         3.30, 4.19 A)
 &rst
  ixpk= 1026, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   27 LYS  HA           30 LYS  HG-         6.00    (#   1027:20  Unique         3.30, 4.19 A)
 &rst
  ixpk= 1027, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   30 LYS  HA           30 LYS  HG-         2.60    (#   1028:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1028, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 495, 496,
 &end
#
#   30 LYS  HA           30 LYS  HG+         3.50    (#   1029:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE-          30 LYS  HG-         3.50    (#   1031:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE-          30 LYS  HG+         6.00    (#   1032:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE+          30 LYS  HG+         3.50    (#   1033:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE+          30 LYS  HG-         3.50    (#   1034:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   35 PRO  HB+          30 LYS  HG+         6.00    (#   1035:20  Unique         3.30, 4.57 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 580, 581,
 igr2= 495, 496,
 &end
#
#   35 PRO  HB+          30 LYS  HG-         6.00    (#   1036:20  Unique         3.30, 4.57 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 580, 581,
 igr2= 495, 496,
 &end
#
#   35 PRO  HB-          30 LYS  HG-         3.50    (#   1037:20  Unique         3.30, 4.57 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 580, 581,
 igr2= 495, 496,
 &end
#
#   30 LYS  HB-          30 LYS  HG+         2.20    (#   1038:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 492, 493,
 igr2= 495, 496,
 &end
#
#    0 AMB  20-2:1039    30 LYS  HG-         2.20    (#   1039:20  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 616, 492, 493,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HG+         3.50    (#   1040:20  Unique         2.33, 3.77 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HG-         3.50    (#   1041:20  Unique         2.33, 3.77 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGX          30 LYS  HG-         3.50    (#   1042:20  Unique         2.33, 3.77 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGX          30 LYS  HG+         3.50    (#   1043:20  Unique         2.33, 3.77 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   26 LEU  MDY          30 LYS  HG+         6.00    (#   1044:20  Unique         2.67, 4.96 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 495, 496,
 &end
#
#   30 LYS  HB+          30 LYS  HG+         2.20    (#   1045:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 492, 493,
 igr2= 495, 496,
 &end
#
#   30 LYS  HB+          30 LYS  HG-         2.60    (#   1046:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 492, 493,
 igr2= 495, 496,
 &end
#
#    7 TYR  HE            0 AMB  20-1:1047   6.00    (#   1047:20  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 125, 130,
 igr2= 498, 499, 498, 499,
 &end
#
#   30 LYS  HA            0 AMB  20-1:1049   6.00    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1050     0 AMB  20-1:1050   4.50    (#   1050:20  Double Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 498, 499, 498, 499,
 &end
#
#   27 LYS  HA            0 AMB  20-1:1051   3.50    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 498, 499, 498, 499,
 &end
#
#   30 LYS  HE-           0 AMB  20-1:1052   2.60    (#   1052:20  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 501, 502,
 igr2= 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1054     0 AMB  20-1:1054   3.50    (#   1054:20  Double Ambig)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 501, 502, 501, 502,
 igr2= 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1055     0 AMB  20-1:1055   3.50    (#   1055:20  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 580, 581, 580, 581,
 igr2= 498, 499, 498, 499,
 &end
#
#   38 VAL  MGY           0 AMB  20-1:1056   3.50    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1057     0 AMB  20-1:1057   2.60    (#   1057:20  Double Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 415, 495, 496,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1059     0 AMB  20-1:1059   2.60    (#   1059:20  Double Ambig)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 495, 496, 495, 496,
 igr2= 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1060     0 AMB  20-1:1060   2.60    (#   1060:20  Double Ambig)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 492, 493, 492, 493,
 igr2= 498, 499, 498, 499,
 &end
#
#   35 PRO  HA           30 LYS  HE-         3.50    (#   1061:20  Unique         2.53, 2.96 A)
 &rst
  ixpk= 1061, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:1062    30 LYS  HE-         3.50    (#   1062:20  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 635, 636, 635, 636,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG+          30 LYS  HE-         3.50    (#   1063:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG+          30 LYS  HE+         3.50    (#   1064:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:1065     0 AMB  20-1:1065   2.60    (#   1065:20  Double Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 498, 499, 498, 499,
 igr2= 501, 502, 501, 502,
 &end
#
#    0 AMB  20-2:1066    30 LYS  HE-         2.60    (#   1066:20  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 498, 499, 498, 499,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG-          30 LYS  HE-         2.60    (#   1067:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#   38 VAL  MGY          30 LYS  HE-         3.50    (#   1068:20  Unique         3.57, 5.69 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 501, 502,
 &end
#
#   38 VAL  MGY          30 LYS  HE+         3.50    (#   1069:20  Unique         3.57, 5.69 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG-          30 LYS  HE+         2.60    (#   1070:20  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDX          30 LYS  HE+         3.50    (#   1071:20  Unique         4.03, 5.95 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDY          30 LYS  HE+         3.50    (#   1072:20  Unique         4.03, 5.95 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDX          30 LYS  HE-         6.00    (#   1073:20  Unique         4.03, 5.95 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDY          30 LYS  HE-         6.00    (#   1074:20  Unique         4.03, 5.95 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   35 PRO  HA           30 LYS  HE+         6.00    (#   1075:20  Unique         2.53, 2.96 A)
 &rst
  ixpk= 1075, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   31 ALA  HN           31 ALA  HA          3.50    (#   1078:20  Unique         2.85, 2.85 A)
 &rst
  ixpk= 1078, nxpk= 20, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1079    31 ALA  HA          3.50    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 520, 566,
 &end
#
#   30 LYS  HB+          31 ALA  HA          6.00    (#   1080:20  Unique         4.42, 4.53 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#   30 LYS  HB-          31 ALA  HA          6.00    (#   1081:20  Unique         4.42, 4.53 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           31 ALA  HA          2.20    (#   1082:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 514, 515, 516,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.20    (#   1083:20  Unique         2.46, 2.85 A)
 &rst
  ixpk= 1083, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 514, 515, 516,
 &end
#
#   32 LYS  HN           31 ALA  MB          2.60    (#   1084:20  Unique         2.66, 3.46 A)
 &rst
  ixpk= 1084, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1085    31 ALA  MB          2.20    (#   1085:20  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 512, 451,
 igr2= 514, 515, 516,
 &end
#
#   33 TRP  HN           32 LYS  HA          3.50    (#   1086:20  Unique         3.48, 3.53 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 542, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  HN           32 LYS  HA          6.00    (#   1087:20  Unique         5.34, 5.34 A)
 &rst
  ixpk= 1087, nxpk= 20, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1088    32 LYS  HA          3.50    (#   1088:20  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 520, 566,
 &end
#
#    0 AMB  20-2:1090    32 LYS  HA          6.00    (#   1090:20  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534, 456, 457,
 &end
#
#   32 LYS  HB+          32 LYS  HA          2.60    (#   1091:20  Unique         2.54, 2.80 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   32 LYS  HB-          32 LYS  HA          2.60    (#   1092:20  Unique         2.54, 2.80 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   32 LYS  HG+          32 LYS  HA          2.60    (#   1095:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 527, 528,
 &end
#
#   32 LYS  HG-          32 LYS  HA          3.50    (#   1096:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 527, 528,
 &end
#
#   33 TRP  HN           32 LYS  HB+         6.00    (#   1097:20  Unique         2.81, 3.33 A)
 &rst
  ixpk= 1097, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   33 TRP  HN           32 LYS  HB-         3.50    (#   1098:20  Unique         2.81, 3.33 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   32 LYS  HN           32 LYS  HB+         3.50    (#   1101:20  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   33 TRP  HD1          32 LYS  HB+         6.00    (#   1102:20  Unique         4.82, 5.55 A)
 &rst
  ixpk= 1102, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   33 TRP  HD1          32 LYS  HB-         6.00    (#   1103:20  Unique         4.82, 5.55 A)
 &rst
  ixpk= 1103, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   32 LYS  HN           32 LYS  HB-         3.50    (#   1104:20  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   29 TRP  HA           32 LYS  HB+         6.00    (#   1105:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1105, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   29 TRP  HA           32 LYS  HB-         6.00    (#   1106:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1106, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   32 LYS  HA           32 LYS  HB+         2.60    (#   1107:20  Unique         2.54, 2.80 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 524, 525,
 &end
#
#   32 LYS  HA           32 LYS  HB-         3.50    (#   1108:20  Unique         2.54, 2.80 A)
 &rst
  ixpk= 1108, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG+          32 LYS  HB-         3.50    (#   1112:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG+          32 LYS  HB+         3.50    (#   1113:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG-          32 LYS  HB-         3.50    (#   1114:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG-          32 LYS  HB+         6.00    (#   1115:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HN           32 LYS  HG+         6.00    (#   1119:20  Unique         2.50, 3.27 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 527, 528,
 &end
#
#   32 LYS  HN           32 LYS  HG-         6.00    (#   1120:20  Unique         2.50, 3.27 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 527, 528,
 &end
#
#   32 LYS  HA           32 LYS  HG+         3.50    (#   1121:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 527, 528,
 &end
#
#   32 LYS  HA           32 LYS  HG-         6.00    (#   1122:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 527, 528,
 &end
#
#   32 LYS  HE+          32 LYS  HG-         6.00    (#   1123:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:1124    32 LYS  HG-         6.00    (#   1124:20  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 533, 534, 453, 454,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:1125     0 AMB  20-1:1125   6.00    (#   1125:20  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 533, 534, 453, 454,
 igr2= 527, 528, 527, 528,
 &end
#
#   32 LYS  HE+          32 LYS  HG+         6.00    (#   1126:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 527, 528,
 &end
#
#   32 LYS  HB+          32 LYS  HG-         3.50    (#   1127:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:1128    32 LYS  HG-         3.50    (#   1128:20  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 530, 531, 524, 525,
 igr2= 527, 528,
 &end
#
#   32 LYS  HB+          32 LYS  HG+         2.60    (#   1129:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#   32 LYS  HD+          32 LYS  HG+         2.60    (#   1131:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   32 LYS  HD-          32 LYS  HG-         3.50    (#   1133:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   32 LYS  HA           32 LYS  HD+         6.00    (#   1137:20  Unique         2.65, 4.44 A)
 &rst
  ixpk= 1137, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 530, 531,
 &end
#
#   32 LYS  HE+          32 LYS  HD+         6.00    (#   1138:20  Unique         2.31, 2.71 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 530, 531,
 &end
#
#    0 AMB  20-2:1139     0 AMB  20-1:1139   6.00    (#   1139:20  Double Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 533, 534, 453, 454,
 igr2= 530, 531, 530, 531,
 &end
#
#   32 LYS  HB+          32 LYS  HD+         3.50    (#   1140:20  Unique         2.38, 2.94 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 525,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG+          32 LYS  HD+         3.50    (#   1142:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG+          32 LYS  HD-         3.50    (#   1143:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG-          32 LYS  HD+         6.00    (#   1144:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG-          32 LYS  HE+         6.00    (#   1145:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG-          32 LYS  HE-         6.00    (#   1146:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG+          32 LYS  HE+         6.00    (#   1147:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG+          32 LYS  HE-         3.50    (#   1148:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HD-          32 LYS  HE-         6.00    (#   1150:20  Unique         2.31, 2.71 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#   32 LYS  HD-          32 LYS  HE+         3.50    (#   1151:20  Unique         2.31, 2.71 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#    0 AMB  20-2:1152     0 AMB  20-1:1152   3.50    (#   1152:20  Double Ambig)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 530, 531, 524, 525,
 igr2= 533, 534, 533, 534,
 &end
#
#   32 LYS  HD+          32 LYS  HE-         3.50    (#   1153:20  Unique         2.31, 2.71 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#   28 GLU  HG-          32 LYS  HE-         2.60    (#   1154:20  Unique         2.70, 4.17 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 456, 457,
 igr2= 533, 534,
 &end
#
#   28 GLU  HG-          32 LYS  HE+         3.50    (#   1155:20  Unique         2.70, 4.17 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 456, 457,
 igr2= 533, 534,
 &end
#
#   33 TRP  HZ2          32 LYS  HE+         6.00    (#   1156:20  Unique         6.24, 6.87 A)
 &rst
  ixpk= 1156, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   33 TRP  HZ2          32 LYS  HE-         6.00    (#   1157:20  Unique         6.24, 6.87 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#    0 AMB  20-2:1159    32 LYS  HE-         6.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 472, 520,
 igr2= 533, 534,
 &end
#
#    0 AMB  20-2:1160    34 GLY  HA-         3.50    (#   1160:20  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 577, 578, 591, 592,
 igr2= 568, 569,
 &end
#
#   35 PRO  HG+          34 GLY  HA-         6.00    (#   1161:20  Unique         4.32, 4.89 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 577, 578,
 igr2= 568, 569,
 &end
#
#   35 PRO  HD-          34 GLY  HA-         2.20    (#   1163:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 574, 575,
 igr2= 568, 569,
 &end
#
#   35 PRO  HD+          34 GLY  HA-         2.20    (#   1164:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 574, 575,
 igr2= 568, 569,
 &end
#
#   34 GLY  HN           34 GLY  HA-         2.60    (#   1172:20  Unique         2.35, 2.67 A)
 &rst
  ixpk= 1172, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 568, 569,
 &end
#
#   34 GLY  HN           34 GLY  HA+         6.00    (#   1173:20  Unique         2.35, 2.67 A)
 &rst
  ixpk= 1173, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 568, 569,
 &end
#
#   36 GLU  HN           34 GLY  HA-         6.00    (#   1174:20  Unique         3.88, 4.11 A)
 &rst
  ixpk= 1174, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 568, 569,
 &end
#
#   37 ALA  HN           34 GLY  HA-         6.00    (#   1175:20  Unique         3.38, 4.12 A)
 &rst
  ixpk= 1175, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 568, 569,
 &end
#
#   36 GLU  HN           35 PRO  HA          6.00    (#   1176:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 1176, nxpk= 20, iat= 587, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HN           35 PRO  HA          6.00    (#   1177:20  Unique         4.48, 4.52 A)
 &rst
  ixpk= 1177, nxpk= 20, iat= 602, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1178    35 PRO  HA          6.00    (#   1178:20  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 628, 510,
 &end
#
#   38 VAL  HN           35 PRO  HA          6.00    (#   1179:20  Unique         3.48, 3.54 A)
 &rst
  ixpk= 1179, nxpk= 20, iat= 612, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HA           35 PRO  HA          3.50    (#   1182:20  Unique         2.62, 2.70 A)
 &rst
  ixpk= 1182, nxpk= 20, iat= 490, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PRO  HD+          35 PRO  HA          3.50    (#   1183:20  Unique         3.32, 3.70 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 574, 575,
 &end
#
#   30 LYS  HE-          35 PRO  HA          3.50    (#   1184:20  Unique         2.53, 2.96 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 501, 502,
 &end
#
#   30 LYS  HE+          35 PRO  HA          6.00    (#   1185:20  Unique         2.53, 2.96 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#    0 AMB  20-2:1186    35 PRO  HA          6.00    (#   1186:20  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 635, 636, 635, 636,
 &end
#
#   35 PRO  HB+          35 PRO  HA          2.60    (#   1187:20  Unique         2.26, 2.54 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 580, 581,
 &end
#
#   35 PRO  HB-          35 PRO  HA          2.60    (#   1188:20  Unique         2.26, 2.54 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 580, 581,
 &end
#
#   30 LYS  HG+          35 PRO  HA          3.50    (#   1189:20  Unique         2.12, 3.01 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#    0 AMB  20-2:1190    35 PRO  HA          2.60    (#   1190:20  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 616, 498, 499,
 &end
#
#   37 ALA  MB           35 PRO  HA          6.00    (#   1191:20  Unique         5.23, 6.22 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   30 LYS  HG-          35 PRO  HA          2.60    (#   1193:20  Unique         2.12, 3.01 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          35 PRO  HA          6.00    (#   1195:20  Unique         3.88, 4.64 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          35 PRO  HA          3.50    (#   1196:20  Unique         3.88, 4.64 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1197    35 PRO  HA          3.50    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 577, 578, 632, 633,
 &end
#
#   35 PRO  HG+          35 PRO  HA          3.50    (#   1198:20  Unique         3.87, 3.93 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 577, 578,
 &end
#
#   35 PRO  HD-          35 PRO  HA          3.50    (#   1199:20  Unique         3.32, 3.70 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 574, 575,
 &end
#
#   30 LYS  HG-          35 PRO  HB+         6.00    (#   1200:20  Unique         3.30, 4.57 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 580, 581,
 &end
#
#    0 AMB  20-2:1201     0 AMB  20-1:1201   2.60    (#   1201:20  Double Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 498, 499, 498, 499, 616,
 igr2= 580, 581, 580, 581, 580, 581,
 &end
#
#    0 AMB  20-2:1202    35 PRO  HB-         3.50    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 498, 499, 498, 499,
 igr2= 580, 581,
 &end
#
#   35 PRO  HG+          35 PRO  HB+         2.20    (#   1204:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 577, 578,
 igr2= 580, 581,
 &end
#
#   35 PRO  HD-          35 PRO  HB+         3.50    (#   1205:20  Unique         2.91, 3.71 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 574, 575,
 igr2= 580, 581,
 &end
#
#   35 PRO  HD-          35 PRO  HB-         3.50    (#   1206:20  Unique         2.91, 3.71 A)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 574, 575,
 igr2= 580, 581,
 &end
#
#   35 PRO  HA           35 PRO  HB+         2.60    (#   1207:20  Unique         2.26, 2.54 A)
 &rst
  ixpk= 1207, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 580, 581,
 &end
#
#   35 PRO  HA           35 PRO  HB-         2.60    (#   1208:20  Unique         2.26, 2.54 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 580, 581,
 &end
#
#   36 GLU  HN           35 PRO  HB-         3.50    (#   1210:20  Unique         3.26, 3.78 A)
 &rst
  ixpk= 1210, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 580, 581,
 &end
#
#   36 GLU  HN           35 PRO  HB+         6.00    (#   1211:20  Unique         3.26, 3.78 A)
 &rst
  ixpk= 1211, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 580, 581,
 &end
#
#   35 PRO  HD+          35 PRO  HB+         3.50    (#   1212:20  Unique         2.91, 3.71 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 574, 575,
 igr2= 580, 581,
 &end
#
#   36 GLU  HN           35 PRO  HG+         3.50    (#   1213:20  Unique         2.65, 3.44 A)
 &rst
  ixpk= 1213, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#   36 GLU  HN           35 PRO  HG-         6.00    (#   1214:20  Unique         2.65, 3.44 A)
 &rst
  ixpk= 1214, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA+          35 PRO  HG+         6.00    (#   1215:20  Unique         4.32, 4.89 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA+          35 PRO  HG-         6.00    (#   1216:20  Unique         4.32, 4.89 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA-          35 PRO  HG-         6.00    (#   1217:20  Unique         4.32, 4.89 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA-          35 PRO  HG+         6.00    (#   1218:20  Unique         4.32, 4.89 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD+          35 PRO  HG+         2.60    (#   1219:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD+          35 PRO  HG-         2.60    (#   1220:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD-          35 PRO  HG-         2.60    (#   1221:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD-          35 PRO  HG+         3.50    (#   1222:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1223     0 AMB  20-1:1223   2.60    (#   1223:20  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 580, 581, 594, 595,
 igr2= 577, 578, 577, 578,
 &end
#
#    0 AMB  20-2:1224    35 PRO  HG-         2.60    (#   1224:20  Single Ambig)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 580, 581, 594, 595,
 igr2= 577, 578,
 &end
#
#   30 LYS  HB-          35 PRO  HG+         6.00    (#   1229:20  Unique         3.79, 5.15 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493,
 igr2= 577, 578,
 &end
#
#   30 LYS  HB-          35 PRO  HG-         3.50    (#   1230:20  Unique         3.79, 5.15 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 492, 493,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1231    35 PRO  HG-         6.00    (#   1231:20  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 498, 499, 498, 499,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1232     0 AMB  20-1:1232   6.00    (#   1232:20  Double Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 498, 499, 498, 499,
 igr2= 577, 578, 577, 578,
 &end
#
#   30 LYS  HG-          35 PRO  HG-         6.00    (#   1234:20  Unique         5.42, 6.35 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 577, 578,
 &end
#
#   35 PRO  HA           35 PRO  HG+         3.50    (#   1237:20  Unique         3.87, 3.93 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#   35 PRO  HA           35 PRO  HG-         3.50    (#   1238:20  Unique         3.87, 3.93 A)
 &rst
  ixpk= 1238, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#   36 GLU  HN           35 PRO  HD+         3.50    (#   1239:20  Unique         3.09, 3.69 A)
 &rst
  ixpk= 1239, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 574, 575,
 &end
#
#   36 GLU  HN           35 PRO  HD-         3.50    (#   1240:20  Unique         3.09, 3.69 A)
 &rst
  ixpk= 1240, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 574, 575,
 &end
#
#   34 GLY  HN           35 PRO  HD+         6.00    (#   1242:20  Unique         3.72, 4.06 A)
 &rst
  ixpk= 1242, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 574, 575,
 &end
#
#   34 GLY  HN           35 PRO  HD-         6.00    (#   1243:20  Unique         3.72, 4.06 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA+          35 PRO  HD+         2.60    (#   1245:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA+          35 PRO  HD-         2.60    (#   1246:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA-          35 PRO  HD+         2.60    (#   1251:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA-          35 PRO  HD-         2.60    (#   1252:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG+          35 PRO  HD+         2.60    (#   1261:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG+          35 PRO  HD-         2.60    (#   1262:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG-          35 PRO  HD-         2.60    (#   1263:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG-          35 PRO  HD+         2.60    (#   1264:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#    0 AMB  20-2:1265     0 AMB  20-1:1265   3.50    (#   1265:20  Double Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 580, 581, 594, 595,
 igr2= 574, 575, 574, 575,
 &end
#
#    0 AMB  20-2:1266    35 PRO  HD-         3.50    (#   1266:20  Single Ambig)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 580, 581, 594, 595,
 igr2= 574, 575,
 &end
#
#   30 LYS  HB-          35 PRO  HD+         6.00    (#   1269:20  Unique         3.04, 4.69 A)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493,
 igr2= 574, 575,
 &end
#
#   30 LYS  HB-          35 PRO  HD-         6.00    (#   1270:20  Unique         3.04, 4.69 A)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493,
 igr2= 574, 575,
 &end
#
#   30 LYS  HG-          35 PRO  HD-         6.00    (#   1273:20  Unique         4.77, 6.00 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 574, 575,
 &end
#
#   36 GLU  HN           36 GLU  HA          2.80    (#   1274:20  Unique         2.76, 2.77 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 587, 589, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ALA  HN           36 GLU  HA          3.50    (#   1275:20  Unique         3.52, 3.52 A)
 &rst
  ixpk= 1275, nxpk= 20, iat= 602, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLU  HN           36 GLU  HA          3.50    (#   1276:20  Unique         3.52, 3.53 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 628, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 GLU  HG-          36 GLU  HA          2.60    (#   1277:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 594, 595,
 &end
#
#   39 GLU  HB+          36 GLU  HA          3.50    (#   1278:20  Unique         2.79, 3.69 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 632, 633,
 &end
#
#   36 GLU  HB-          36 GLU  HA          2.60    (#   1279:20  Unique         2.53, 2.79 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#   37 ALA  MB           36 GLU  HA          6.00    (#   1281:20  Unique         5.77, 6.10 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   36 GLU  HG+          36 GLU  HA          2.60    (#   1282:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 594, 595,
 &end
#
#   36 GLU  HN           36 GLU  HB+         2.60    (#   1283:20  Unique         2.30, 2.97 A)
 &rst
  ixpk= 1283, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   36 GLU  HN           36 GLU  HB-         2.60    (#   1284:20  Unique         2.30, 2.97 A)
 &rst
  ixpk= 1284, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   37 ALA  HN           36 GLU  HB+         2.60    (#   1285:20  Unique         2.61, 3.11 A)
 &rst
  ixpk= 1285, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   37 ALA  HN           36 GLU  HB-         3.50    (#   1286:20  Unique         2.61, 3.11 A)
 &rst
  ixpk= 1286, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 591, 592,
 &end
#
#   36 GLU  HA           36 GLU  HB-         2.60    (#   1287:20  Unique         2.53, 2.79 A)
 &rst
  ixpk= 1287, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   36 GLU  HA           36 GLU  HB+         2.60    (#   1288:20  Unique         2.53, 2.79 A)
 &rst
  ixpk= 1288, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   36 GLU  HG-          36 GLU  HB+         2.20    (#   1289:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 594, 595,
 igr2= 591, 592,
 &end
#
#   36 GLU  HG-          36 GLU  HB-         2.60    (#   1290:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 594, 595,
 igr2= 591, 592,
 &end
#
#   36 GLU  HG+          36 GLU  HB+         2.60    (#   1291:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 594, 595,
 igr2= 591, 592,
 &end
#
#   36 GLU  HG+          36 GLU  HB-         2.20    (#   1292:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 594, 595,
 igr2= 591, 592,
 &end
#
#   37 ALA  MB           36 GLU  HB+         6.00    (#   1295:20  Unique         4.37, 5.47 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 606, 607, 608,
 igr2= 591, 592,
 &end
#
#   37 ALA  MB            0 AMB  20-1:1296   6.00    (#   1296:20  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 606, 607, 608,
 igr2= 591, 592, 632, 633,
 &end
#
#   36 GLU  HN           36 GLU  HG-         3.50    (#   1299:20  Unique         2.27, 2.89 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#   37 ALA  HN           36 GLU  HG-         6.00    (#   1300:20  Unique         4.40, 4.71 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:1302     0 AMB  20-1:1302   6.00    (#   1302:20  Double Ambig)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267, 266, 267,
      
 igr2= 232, 233, 232, 233, 232, 233,
 &end
#
#   37 ALA  HN           37 ALA  HA          3.50    (#   1303:20  Unique         2.85, 2.85 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HN           37 ALA  HA          6.00    (#   1304:20  Unique         3.44, 3.52 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 643, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  HN           37 ALA  HA          6.00    (#   1306:20  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 612, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1308    37 ALA  HA          6.00    (#   1308:20  Single Ambig)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 591, 592, 632, 633,
 &end
#
#   37 ALA  MB           37 ALA  HA          2.20    (#   1309:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 606, 607, 608,
 &end
#
#   36 GLU  HN           37 ALA  MB          6.00    (#   1310:20  Unique         4.78, 5.36 A)
 &rst
  ixpk= 1310, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   37 ALA  HN           37 ALA  MB          2.20    (#   1311:20  Unique         2.45, 2.87 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 606, 607, 608,
 &end
#
#   34 GLY  HN           37 ALA  MB          6.00    (#   1312:20  Unique         4.56, 5.69 A)
 &rst
  ixpk= 1312, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   38 VAL  HN           37 ALA  MB          2.60    (#   1313:20  Unique         2.41, 3.26 A)
 &rst
  ixpk= 1313, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 606, 607, 608,
 &end
#
#   41 TRP  HZ2          37 ALA  MB          3.50    (#   1314:20  Unique         3.75, 4.53 A)
 &rst
  ixpk= 1314, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 606, 607, 608,
 &end
#
#   37 ALA  HA           37 ALA  MB          2.20    (#   1315:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 1315, nxpk= 20, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 606, 607, 608,
 &end
#
#   33 TRP  HB+          37 ALA  MB          3.50    (#   1316:20  Unique         3.60, 4.78 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547,
 igr2= 606, 607, 608,
 &end
#
#   33 TRP  HB-          37 ALA  MB          3.50    (#   1317:20  Unique         3.60, 4.78 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547,
 igr2= 606, 607, 608,
 &end
#
#   41 TRP  HN           38 VAL  HA          3.50    (#   1318:20  Unique         2.97, 3.05 A)
 &rst
  ixpk= 1318, nxpk= 20, iat= 654, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1319    38 VAL  HA          6.00    (#   1319:20  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 643,
 &end
#
#    0 AMB  20-2:1321    38 VAL  HA          3.50    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 612, 123, 132,
 &end
#
#   41 TRP  HB+          38 VAL  HA          6.00    (#   1322:20  Unique         2.91, 3.65 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 658, 659,
 &end
#
#   41 TRP  HB-          38 VAL  HA          6.00    (#   1323:20  Unique         2.91, 3.65 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 658, 659,
 &end
#
#   38 VAL  HB           38 VAL  HA          3.50    (#   1325:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1325, nxpk= 20, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ALA  MB           38 VAL  HA          6.00    (#   1326:20  Unique         4.38, 4.86 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  MGY          38 VAL  HA          2.60    (#   1327:20  Unique         2.48, 3.13 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          38 VAL  HA          2.60    (#   1328:20  Unique         2.48, 3.13 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           38 VAL  HB          3.50    (#   1331:20  Unique         2.79, 2.83 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 628, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 VAL  HN           38 VAL  HB          2.60    (#   1332:20  Unique         2.39, 2.42 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   35 PRO  HA           38 VAL  HB          3.50    (#   1333:20  Unique         2.55, 2.61 A)
 &rst
  ixpk= 1333, nxpk= 20, iat= 583, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HA           38 VAL  HB          6.00    (#   1334:20  Unique         3.02, 3.10 A)
 &rst
  ixpk= 1334, nxpk= 20, iat= 490, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HE-          38 VAL  HB          3.50    (#   1335:20  Unique         3.35, 4.01 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 501, 502,
 &end
#
#   30 LYS  HE+          38 VAL  HB          6.00    (#   1336:20  Unique         3.35, 4.01 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   30 LYS  HG-          38 VAL  HB          2.60    (#   1337:20  Unique         2.16, 2.85 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          38 VAL  HB          2.60    (#   1338:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          38 VAL  HB          2.60    (#   1339:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HN           38 VAL  MGX         6.00    (#   1341:20  Unique         3.19, 4.49 A)
 &rst
  ixpk= 1341, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HE3          38 VAL  MGX         6.00    (#   1342:20  Unique         2.63, 4.06 A)
 &rst
  ixpk= 1342, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1344    38 VAL  MGX         2.60    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 612, 123, 132,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HZ3          38 VAL  MGX         6.00    (#   1345:20  Unique         2.76, 4.25 A)
 &rst
  ixpk= 1345, nxpk= 20, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1347    38 VAL  MGX         3.50    (#   1347:20  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 658, 659, 583,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HA           38 VAL  MGX         2.20    (#   1348:20  Unique         2.29, 3.85 A)
 &rst
  ixpk= 1348, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HB+          38 VAL  MGX         3.50    (#   1349:20  Unique         3.03, 5.34 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 546, 547,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1350    38 VAL  MGX         2.60    (#   1350:20  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 468, 469, 468, 469,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HB-          38 VAL  MGX         3.50    (#   1351:20  Unique         3.03, 5.34 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 546, 547,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HA           38 VAL  MGX         2.60    (#   1352:20  Unique         2.48, 3.13 A)
 &rst
  ixpk= 1352, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HB           38 VAL  MGX         2.20    (#   1353:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  MB           38 VAL  MGX         3.50    (#   1354:20  Unique         3.09, 6.21 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 606, 607, 608,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HG-          38 VAL  MGX         3.50    (#   1355:20  Unique         2.33, 3.77 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 495, 496,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  HG           38 VAL  MGX         3.50    (#   1359:20  Unique         2.66, 5.25 A)
 &rst
  ixpk= 1359, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1360    38 VAL  MGY         3.50    (#   1360:20  Single Ambig)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 628, 510,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HE3          38 VAL  MGY         2.60    (#   1361:20  Unique         2.63, 4.06 A)
 &rst
  ixpk= 1361, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1363    38 VAL  MGY         2.60    (#   1363:20  Single Ambig)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 612, 123, 132,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    7 TYR  HE           38 VAL  MGY         2.60    (#   1364:20  Unique         2.66, 6.55 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 125, 130,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1365    38 VAL  MGY         2.60    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 468, 469, 468, 469,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1366    38 VAL  MGY         3.50    (#   1366:20  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 501, 502, 119, 120,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HA           38 VAL  MGY         2.60    (#   1367:20  Unique         2.48, 3.13 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HB           38 VAL  MGY         2.20    (#   1368:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1368, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDY          38 VAL  MGY         2.60    (#   1370:20  Unique         2.25, 5.67 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           39 GLU  HA          3.50    (#   1372:20  Unique         2.90, 2.90 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HN           39 GLU  HA          6.00    (#   1373:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 643, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 ALA  HN           39 GLU  HA          6.00    (#   1374:20  Unique         3.13, 3.22 A)
 &rst
  ixpk= 1374, nxpk= 20, iat= 678, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HE           39 GLU  HA          2.20    (#   1375:20  Unique         2.24, 4.27 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 125, 130,
 &end
#
#    0 AMB  20-2:1376    39 GLU  HA          3.50    (#   1376:20  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 635, 636, 635, 636,
 &end
#
#   39 GLU  HB+          39 GLU  HA          2.60    (#   1377:20  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#   39 GLU  HB-          39 GLU  HA          2.60    (#   1378:20  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#    0 AMB  20-2:1379    39 GLU  HA          6.00    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 616,  80,  81,
 &end
#
#    0 AMB  20-2:1380    39 GLU  HA          3.50    (#   1380:20  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           39 GLU  HB+         2.60    (#   1381:20  Unique         2.32, 2.98 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#   39 GLU  HN           39 GLU  HB-         2.60    (#   1382:20  Unique         2.32, 2.98 A)
 &rst
  ixpk= 1382, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#   40 SER  HN           39 GLU  HB-         3.50    (#   1383:20  Unique         2.95, 3.43 A)
 &rst
  ixpk= 1383, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 632, 633,
 &end
#
#   40 SER  HN           39 GLU  HB+         6.00    (#   1384:20  Unique         2.95, 3.43 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#   38 VAL  HN           39 GLU  HB-         6.00    (#   1385:20  Unique         4.95, 5.73 A)
 &rst
  ixpk= 1385, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#   38 VAL  HN           39 GLU  HB+         6.00    (#   1386:20  Unique         4.95, 5.73 A)
 &rst
  ixpk= 1386, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#    7 TYR  HE           39 GLU  HB+         6.00    (#   1387:20  Unique         4.59, 6.77 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 632, 633,
 &end
#
#    7 TYR  HE           39 GLU  HB-         6.00    (#   1388:20  Unique         4.59, 6.77 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 632, 633,
 &end
#
#   39 GLU  HA           39 GLU  HB+         2.60    (#   1389:20  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1389, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#   39 GLU  HA           39 GLU  HB-         2.60    (#   1390:20  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1390, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#   36 GLU  HA           39 GLU  HB+         3.50    (#   1391:20  Unique         2.79, 3.69 A)
 &rst
  ixpk= 1391, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 632, 633,
 &end
#
#    0 AMB  20-2:1392     0 AMB  20-1:1392   2.20    (#   1392:20  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 635, 636, 635, 636,
 igr2= 632, 633, 632, 633,
 &end
#
#    0 AMB  20-2:1393    39 GLU  HB-         2.20    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 635, 636, 635, 636,
 igr2= 632, 633,
 &end
#
#   38 VAL  HB           39 GLU  HB+         6.00    (#   1395:20  Unique         4.94, 5.60 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#   39 GLU  HN            0 AMB  20-1:1397   2.60    (#   1397:20  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 635, 636, 635, 636,
 &end
#
#   40 SER  HN            0 AMB  20-1:1398   6.00    (#   1398:20  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 635, 636, 635, 636,
 &end
#
#    7 TYR  HE            0 AMB  20-1:1399   6.00    (#   1399:20  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 125, 130,
 igr2= 635, 636, 635, 636,
 &end
#
#   39 GLU  HA            0 AMB  20-1:1400   3.50    (#   1400:20  Single Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:1401     0 AMB  20-1:1401   3.50    (#   1401:20  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 589, 583,
 igr2= 635, 636, 635, 636,
 &end
#
#   30 LYS  HE-           0 AMB  20-1:1402   3.50    (#   1402:20  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 501, 502,
 igr2= 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:1403     0 AMB  20-1:1403   2.20    (#   1403:20  Double Ambig)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 632, 633, 632, 633,
 igr2= 635, 636, 635, 636,
 &end
#
#   39 GLU  HB-           0 AMB  20-1:1404   2.20    (#   1404:20  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 632, 633,
 igr2= 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:1407     0 AMB  20-1:1407   6.00    (#   1407:20  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
 igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
 igr2= 635, 636, 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:1408     0 AMB  20-1:1408   3.50    (#   1408:20  Double Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 580, 581, 580, 581, 594, 595,
 igr2= 635, 636, 635, 636, 635, 636,
 &end
#
#   41 TRP  HN           40 SER  HA          6.00    (#   1409:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1409, nxpk= 20, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 SER  HN           40 SER  HA          3.50    (#   1410:20  Unique         2.90, 2.91 A)
 &rst
  ixpk= 1410, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           40 SER  HA          6.00    (#   1411:20  Unique         3.61, 3.67 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 678, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 SER  HB+          40 SER  HA          2.60    (#   1412:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 647, 648,
 &end
#
#   40 SER  HB-          40 SER  HA          2.60    (#   1413:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 647, 648,
 &end
#
#   39 GLU  HB+          40 SER  HA          6.00    (#   1414:20  Unique         4.51, 4.69 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 632, 633,
 &end
#
#   41 TRP  HN           40 SER  HB+         6.00    (#   1415:20  Unique         3.11, 3.65 A)
 &rst
  ixpk= 1415, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 647, 648,
 &end
#
#   41 TRP  HN           40 SER  HB-         6.00    (#   1416:20  Unique         3.11, 3.65 A)
 &rst
  ixpk= 1416, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 647, 648,
 &end
#
#   40 SER  HN           40 SER  HB-         2.60    (#   1417:20  Unique         2.55, 2.87 A)
 &rst
  ixpk= 1417, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 647, 648,
 &end
#
#   40 SER  HN           40 SER  HB+         3.50    (#   1418:20  Unique         2.55, 2.87 A)
 &rst
  ixpk= 1418, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 647, 648,
 &end
#
#   41 TRP  HD1          40 SER  HB+         6.00    (#   1419:20  Unique         3.52, 4.21 A)
 &rst
  ixpk= 1419, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 647, 648,
 &end
#
#   41 TRP  HD1          40 SER  HB-         6.00    (#   1420:20  Unique         3.52, 4.21 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 647, 648,
 &end
#
#   40 SER  HA           40 SER  HB+         2.20    (#   1426:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 647, 648,
 &end
#
#   40 SER  HA           40 SER  HB-         2.60    (#   1427:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 647, 648,
 &end
#
#   37 ALA  MB           40 SER  HB-         6.00    (#   1428:20  Unique         4.51, 5.76 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 606, 607, 608,
 igr2= 647, 648,
 &end
#
#   39 GLU  HB-          40 SER  HB-         6.00    (#   1429:20  Unique         4.62, 5.78 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 632, 633,
 igr2= 647, 648,
 &end
#
#   37 ALA  HA           40 SER  HB+         3.50    (#   1432:20  Unique         2.76, 3.41 A)
 &rst
  ixpk= 1432, nxpk= 20, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 647, 648,
 &end
#
#   37 ALA  HA           40 SER  HB-         3.50    (#   1433:20  Unique         2.76, 3.41 A)
 &rst
  ixpk= 1433, nxpk= 20, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 647, 648,
 &end
#
#   41 TRP  HN           41 TRP  HA          6.00    (#   1438:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HD1          41 TRP  HA          3.50    (#   1439:20  Unique         2.54, 2.58 A)
 &rst
  ixpk= 1439, nxpk= 20, iat= 662, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 TRP  HB+          41 TRP  HA          3.50    (#   1440:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 658, 659,
 &end
#
#   41 TRP  HB-          41 TRP  HA          3.50    (#   1441:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 658, 659,
 &end
#
#    7 TYR  HB-          41 TRP  HA          6.00    (#   1442:20  Unique         5.53, 6.50 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#   42 ALA  HN           41 TRP  HA          6.00    (#   1443:20  Unique         3.46, 3.47 A)
 &rst
  ixpk= 1443, nxpk= 20, iat= 678, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HN           41 TRP  HB+         3.50    (#   1444:20  Unique         2.64, 3.16 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#    8 LYS  HN           41 TRP  HB+         3.50    (#   1445:20  Unique         2.19, 2.83 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#    8 LYS  HN           41 TRP  HB-         3.50    (#   1446:20  Unique         2.19, 2.83 A)
 &rst
  ixpk= 1446, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#   41 TRP  HN           41 TRP  HB-         3.50    (#   1447:20  Unique         2.64, 3.16 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#   41 TRP  HE3          41 TRP  HB-         6.00    (#   1448:20  Unique         2.76, 3.02 A)
 &rst
  ixpk= 1448, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#   42 ALA  HN           41 TRP  HB-         6.00    (#   1449:20  Unique         3.29, 3.77 A)
 &rst
  ixpk= 1449, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#   42 ALA  HN           41 TRP  HB+         6.00    (#   1450:20  Unique         3.29, 3.77 A)
 &rst
  ixpk= 1450, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#    7 TYR  HD           41 TRP  HB+         3.50    (#   1452:20  Unique         2.29, 4.84 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 123, 132,
 igr2= 658, 659,
 &end
#
#    7 TYR  HD           41 TRP  HB-         2.60    (#   1453:20  Unique         2.29, 4.84 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 123, 132,
 igr2= 658, 659,
 &end
#
#   41 TRP  HD1          41 TRP  HB+         6.00    (#   1455:20  Unique         3.42, 3.61 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#   41 TRP  HD1          41 TRP  HB-         6.00    (#   1456:20  Unique         3.42, 3.61 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#    7 TYR  HE           41 TRP  HB-         6.00    (#   1457:20  Unique         4.14, 6.44 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 658, 659,
 &end
#
#   41 TRP  HA           41 TRP  HB-         3.50    (#   1458:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#   41 TRP  HA           41 TRP  HB+         2.60    (#   1459:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 1459, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 658, 659,
 &end
#
#    9 ASN  HA           41 TRP  HB+         6.00    (#   1471:20  Unique         4.68, 5.15 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#    7 TYR  HB+          41 TRP  HB-         6.00    (#   1472:20  Unique         3.09, 4.30 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 658, 659,
 &end
#
#    7 TYR  HB-          41 TRP  HB-         6.00    (#   1473:20  Unique         3.09, 4.30 A)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 658, 659,
 &end
#
#    7 TYR  HB-          41 TRP  HB+         6.00    (#   1474:20  Unique         3.09, 4.30 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 658, 659,
 &end
#
#   38 VAL  HA           41 TRP  HB-         6.00    (#   1475:20  Unique         2.91, 3.65 A)
 &rst
  ixpk= 1475, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#   10 PRO  HD+          41 TRP  HB+         6.00    (#   1476:20  Unique         4.16, 5.31 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 658, 659,
 &end
#
#   10 PRO  HD-          41 TRP  HB+         6.00    (#   1477:20  Unique         4.16, 5.31 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 658, 659,
 &end
#
#   38 VAL  MGX          41 TRP  HB-         6.00    (#   1478:20  Unique         3.35, 5.64 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 658, 659,
 &end
#
#    0 AMB  20-2:1479    41 TRP  HB-         3.50    (#   1479:20  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
 igr2= 658, 659,
 &end
#
#    0 AMB  20-2:1480     0 AMB  20-1:1480   6.00    (#   1480:20  Double Ambig)
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
 igr2= 658, 659, 658, 659,
 &end
#
#    0 AMB  20-2:1481    42 ALA  MB          3.50    (#   1481:20  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 688,  98,
 igr2= 682, 683, 684,
 &end
#
#   42 ALA  HN           42 ALA  MB          2.60    (#   1482:20  Unique         2.38, 2.91 A)
 &rst
  ixpk= 1482, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 682, 683, 684,
 &end
#
#    7 TYR  HE           42 ALA  MB          2.60    (#   1485:20  Unique         2.38, 4.33 A)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 125, 130,
 igr2= 682, 683, 684,
 &end
#
#   39 GLU  HA           42 ALA  MB          3.50    (#   1487:20  Unique         2.44, 3.53 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1488    42 ALA  MB          2.60    (#   1488:20  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  89,  90,  89,  90,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1489    42 ALA  MB          2.60    (#   1489:20  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  86,  87,  86,  87,
 igr2= 682, 683, 684,
 &end
#
#    5 LYS  HB-          42 ALA  MB          2.60    (#   1490:20  Unique         2.71, 4.50 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  80,  81,
 igr2= 682, 683, 684,
 &end
#
#    5 LYS  HG+          42 ALA  MB          3.50    (#   1491:20  Unique         2.89, 4.65 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  83,  84,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1495    43 THR  HA          3.50    (#   1495:20  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 688,  98,
 &end
#
#   44 LEU  HN           43 THR  HA          2.20    (#   1496:20  Unique         2.05, 2.10 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 702, 690, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   43 THR  HB           43 THR  HA          2.60    (#   1500:20  Unique         2.60, 2.61 A)
 &rst
  ixpk= 1500, nxpk= 20, iat= 692, 690, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:1501    43 THR  HA          3.50    (#   1501:20  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 706, 707, 709,  86,  87,
 &end
#
#   43 THR  MG2          43 THR  HA          2.60    (#   1502:20  Unique         2.38, 2.98 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 694, 695, 696,
 &end
#
#    0 AMB  20-2:1503    43 THR  HA          6.00    (#   1503:20  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:1504    43 THR  HA          6.00    (#   1504:20  Single Ambig)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 730, 731, 732, 734, 735, 736, 730, 731, 732, 734,
       735, 736, 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:1505    43 THR  HB          3.50    (#   1505:20  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 688,  98,
 &end
#
#   44 LEU  HN           43 THR  HB          3.50    (#   1506:20  Unique         3.50, 3.52 A)
 &rst
  ixpk= 1506, nxpk= 20, iat= 702, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 LEU  HA           43 THR  HB          6.00    (#   1508:20  Unique         4.82, 4.87 A)
 &rst
  ixpk= 1508, nxpk= 20, iat= 704, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HA           43 THR  HB          2.60    (#   1509:20  Unique         2.60, 2.61 A)
 &rst
  ixpk= 1509, nxpk= 20, iat= 690, 692, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:1510    43 THR  HB          3.50    (#   1510:20  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 102, 103, 105, 106,
 &end
#
#    6 GLN  HB-          43 THR  HB          6.00    (#   1511:20  Unique         3.38, 4.28 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#    0 AMB  20-2:1512    43 THR  HB          6.00    (#   1512:20  Single Ambig)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 706, 707, 709, 725, 726,
 &end
#
#   43 THR  MG2          43 THR  HB          2.20    (#   1513:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 694, 695, 696,
 &end
#
#    0 AMB  20-2:1514    43 THR  HB          6.00    (#   1514:20  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 730, 731, 732, 734, 735, 736, 730, 731, 732, 734,
       735, 736,
 &end
#
#   42 ALA  MB           43 THR  HB          6.00    (#   1515:20  Unique         6.25, 6.88 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 682, 683, 684,
 &end
#
#   43 THR  HB           43 THR  MG2         2.20    (#   1519:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1519, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 694, 695, 696,
 &end
#
#   43 THR  HA           43 THR  MG2         2.60    (#   1520:20  Unique         2.38, 2.98 A)
 &rst
  ixpk= 1520, nxpk= 20, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 694, 695, 696,
 &end
#
#   44 LEU  HN           43 THR  MG2         6.00    (#   1521:20  Unique         3.97, 4.75 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 694, 695, 696,
 &end
#
#    0 AMB  20-2:1522    43 THR  MG2         3.50    (#   1522:20  Single Ambig)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 688,  98,
 igr2= 694, 695, 696,
 &end
#
#    0 AMB  20-2:1523    44 LEU  HA          6.00    (#   1523:20  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  98, 688,
 &end
#
#   45 LEU  HN           44 LEU  HA          2.60    (#   1524:20  Unique         2.11, 2.15 A)
 &rst
  ixpk= 1524, nxpk= 20, iat= 721, 704, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    4 VAL  HN           44 LEU  HA          6.00    (#   1525:20  Unique         4.58, 4.83 A)
 &rst
  ixpk= 1525, nxpk= 20, iat=  60, 704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1526    44 LEU  HA          6.00    (#   1526:20  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 702, 740,
 &end
#
#    0 AMB  20-2:1529    44 LEU  HA          3.50    (#   1529:20  Single Ambig)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 709, 706, 707,
 &end
#
#    5 LYS  HG-          44 LEU  HA          6.00    (#   1530:20  Unique         2.62, 3.34 A)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   44 LEU  MDX          44 LEU  HA          3.50    (#   1531:20  Unique         2.17, 3.92 A)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:1532    44 LEU  HA          6.00    (#   1532:20  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 706, 707,  80,  81,
 &end
#
#    0 AMB  20-2:1533     0 AMB  20-1:1533   2.60    (#   1533:20  Double Ambig)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 702, 740,
 igr2= 706, 707, 725, 726, 706, 707,
 &end
#
#   45 LEU  HN            0 AMB  20-1:1534   2.60    (#   1534:20  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 725, 726, 706, 707,
 &end
#
#    0 AMB  20-2:1535     0 AMB  20-1:1535   6.00    (#   1535:20  Double Ambig)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 747,  60,
 igr2= 725, 726, 725, 726, 706, 707,
 &end
#
#    0 AMB  20-2:1536     0 AMB  20-1:1536   6.00    (#   1536:20  Double Ambig)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 747,  60,
 igr2= 725, 726, 706, 707,
 &end
#
#   45 LEU  HN            0 AMB  20-1:1537   2.60    (#   1537:20  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 725, 726, 706, 707,
 &end
#
#    0 AMB  20-2:1538     0 AMB  20-1:1538   2.60    (#   1538:20  Double Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 702, 740,
 igr2= 706, 707, 725, 726,
 &end
#
#   44 LEU  HA           44 LEU  HB-         2.60    (#   1539:20  Unique         2.58, 2.82 A)
 &rst
  ixpk= 1539, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 706, 707,
 &end
#
#   44 LEU  HA           44 LEU  HB+         2.60    (#   1540:20  Unique         2.58, 2.82 A)
 &rst
  ixpk= 1540, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 706, 707,
 &end
#
#    0 AMB  20-2:1541     0 AMB  20-1:1541   2.60    (#   1541:20  Double Ambig)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 723, 690,  40,
 igr2= 725, 726, 706, 707, 725, 726,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   2.60    (#   1542:20  Double Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 723, 690,  40,
 igr2= 725, 726, 706, 707,
 &end
#
#    4 VAL  HB           45 LEU  HB-         3.50    (#   1543:20  Unique         2.46, 3.52 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:1545     0 AMB  20-1:1545   3.50    (#   1545:20  Double Ambig)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1= 102, 103, 279, 280, 279, 280, 102, 103, 105, 106,
      
 igr2= 725, 726, 725, 726, 725, 726, 706, 707, 725, 726,
      
 &end
#
#    0 AMB  20-2:1546     0 AMB  20-1:1546   6.00    (#   1546:20  Double Ambig)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 102, 103, 102, 103, 105, 106,
 igr2= 725, 726, 706, 707,
 &end
#
#    0 AMB  20-2:1549     0 AMB  20-1:1549   2.20    (#   1549:20  Double Ambig)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
       735, 736,
 igr2= 706, 707, 725, 726,
 &end
#
#    0 AMB  20-2:1550     0 AMB  20-1:1550   2.20    (#   1550:20  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
       735, 736,
 igr2= 706, 707, 725, 726,
 &end
#
#   44 LEU  HN           44 LEU  HG          6.00    (#   1551:20  Unique         2.64, 3.18 A)
 &rst
  ixpk= 1551, nxpk= 20, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1552    44 LEU  HG          6.00    (#   1552:20  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 721,  76,
 &end
#
#   44 LEU  HA           44 LEU  HG          3.50    (#   1553:20  Unique         2.49, 2.71 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 LEU  MDX          44 LEU  HG          2.60    (#   1554:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:1555    44 LEU  MDX         2.20    (#   1555:20  Single Ambig)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 706, 707, 725, 726, 725, 726,  86,  87,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  HA           44 LEU  MDX         2.60    (#   1556:20  Unique         2.17, 3.92 A)
 &rst
  ixpk= 1556, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  HB-          44 LEU  MDY         2.60    (#   1557:20  Unique         2.41, 3.31 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 706, 707,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:1558    44 LEU  MDY         2.20    (#   1558:20  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 706, 707, 709,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  HA           44 LEU  MDY         3.50    (#   1559:20  Unique         2.17, 3.92 A)
 &rst
  ixpk= 1559, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   46 GLY  HN           45 LEU  HA          2.60    (#   1560:20  Unique         2.23, 2.39 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 740, 723, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    3 LYS  HB-          45 LEU  HA          6.00    (#   1562:20  Unique         5.64, 6.94 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  42,  43,
 &end
#
#    0 AMB  20-2:1563    45 LEU  HA          2.60    (#   1563:20  Single Ambig)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 725, 726, 728,
 &end
#
#   43 THR  MG2          45 LEU  HA          6.00    (#   1564:20  Unique         6.92, 7.32 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 694, 695, 696,
 &end
#
#   45 LEU  MDX          45 LEU  HA          2.20    (#   1565:20  Unique         2.28, 3.79 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:1567     0 AMB  20-1:1567   6.00    (#   1567:20  Double Ambig)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  98, 688,
 igr2= 725, 726, 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:1568     0 AMB  20-1:1568   6.00    (#   1568:20  Double Ambig)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  98, 688,
 igr2= 725, 726, 706, 707,
 &end
#
#    0 AMB  20-2:1573     0 AMB  20-1:1573   6.00    (#   1573:20  Double Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 742, 743, 742, 743, 742, 743,
 igr2= 725, 726, 725, 726, 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:1574     0 AMB  20-1:1574   6.00    (#   1574:20  Double Ambig)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 742, 743, 742, 743, 742, 743,
 igr2= 725, 726, 706, 707,
 &end
#
#    6 GLN  HN           45 LEU  HG          6.00    (#   1575:20  Unique         2.85, 3.13 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  98, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HN           45 LEU  HG          3.50    (#   1576:20  Unique         2.35, 2.43 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HA           45 LEU  HG          3.50    (#   1578:20  Unique         3.27, 3.35 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HB+          45 LEU  HG          3.50    (#   1579:20  Unique         2.84, 3.35 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 &end
#
#    6 GLN  HB-          45 LEU  HG          6.00    (#   1580:20  Unique         2.84, 3.35 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#   45 LEU  MDX          45 LEU  HG          2.20    (#   1581:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#    4 VAL  MGX          45 LEU  HG          2.60    (#   1582:20  Unique         2.67, 4.84 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:1584    45 LEU  MDX         2.20    (#   1584:20  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 725, 726, 728,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:1585    45 LEU  MDX         3.50    (#   1585:20  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  64, 279, 280, 279, 280,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HA           45 LEU  MDX         2.60    (#   1587:20  Unique         2.28, 3.79 A)
 &rst
  ixpk= 1587, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HA           45 LEU  MDY         3.50    (#   1588:20  Unique         2.28, 3.79 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:1589    45 LEU  MDY         2.60    (#   1589:20  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 102, 103, 279, 280, 279, 280,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HB-          45 LEU  MDY         3.50    (#   1590:20  Unique         2.30, 3.90 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 102, 103,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:1591    45 LEU  MDY         2.20    (#   1591:20  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 725, 726, 728,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:1592     0 AMB  20-1:1592   3.50    (#   1592:20  Double Ambig)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 725, 726, 706, 707,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:1593     0 AMB  20-1:1593   6.00    (#   1593:20  Double Ambig)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 725, 726, 725, 726, 706, 707, 706, 707,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#    3 LYS  HB-           0 AMB  20-1:1594   6.00    (#   1594:20  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  42,  43,
 igr2= 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:1595     0 AMB  20-1:1595   3.50    (#   1595:20  Double Ambig)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  51,  52,  51,  52,  51,  52,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#   46 GLY  HN            0 AMB  20-1:1598   2.60    (#   1598:20  Single Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 742, 743, 742, 743,
 &end
#
#   47 HIS  HN            0 AMB  20-1:1599   3.50    (#   1599:20  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 742, 743, 742, 743,
 &end
#
#   47 HIS  HB-          47 HIS  HA          2.60    (#   1602:20  Unique         2.34, 2.60 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 751, 752,
 &end
#
#   47 HIS  HB+          47 HIS  HA          2.60    (#   1603:20  Unique         2.34, 2.60 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 751, 752,
 &end
#
#   47 HIS  HA           47 HIS  HB+         2.20    (#   1607:20  Unique         2.34, 2.60 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 751, 752,
 &end
#
#   47 HIS  HA           47 HIS  HB-         2.20    (#   1608:20  Unique         2.34, 2.60 A)
 &rst
  ixpk= 1608, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 751, 752,
 &end
#
#   36 GLU  HB+          36 GLU  HA          2.60    (#   1612:20  Unique         2.53, 2.79 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:1613     7 TYR  HA          6.00    (#   1613:20  Single Ambig)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 688,  98,
 &end
#
#   33 TRP  HN           38 VAL  MGX         6.00    (#   1614:20  Unique         3.96, 5.73 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    7 TYR  HD           16 ILE  HG1+        3.50    (#   1615:20  Unique         2.69, 4.66 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 123, 132,
 igr2= 266, 267,
 &end
#
#   45 LEU  HB+          45 LEU  HA          2.60    (#   1616:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 725, 726,
 &end
#
#    0 AMB  20-2:1617     0 AMB  20-1:1617   2.60    (#   1617:20  Double Ambig)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 498, 499, 498, 499,
 igr2= 495, 496, 495, 496,
 &end
#
#   33 TRP  HN           33 TRP  HB+         3.50    (#   1618:20  Unique         2.56, 3.17 A)
 &rst
  ixpk= 1618, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   33 TRP  HN           33 TRP  HB-         2.60    (#   1619:20  Unique         2.56, 3.17 A)
 &rst
  ixpk= 1619, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 546, 547,
 &end
#
#    0 AMB  20-2:1622     0 AMB  20-1:1622   6.00    (#   1622:20  Double Ambig)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 566, 520,
 igr2= 546, 547, 546, 547,
 &end
#
#    0 AMB  20-2:1623    33 TRP  HB-         6.00    (#   1623:20  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 566, 520,
 igr2= 546, 547,
 &end
#
#   33 TRP  HD1          33 TRP  HB+         3.50    (#   1624:20  Unique         2.72, 3.33 A)
 &rst
  ixpk= 1624, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   33 TRP  HD1          33 TRP  HB-         3.50    (#   1625:20  Unique         2.72, 3.33 A)
 &rst
  ixpk= 1625, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   41 TRP  HZ2          33 TRP  HB+         6.00    (#   1626:20  Unique         2.73, 3.23 A)
 &rst
  ixpk= 1626, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   41 TRP  HH2          33 TRP  HB+         6.00    (#   1627:20  Unique         2.56, 2.91 A)
 &rst
  ixpk= 1627, nxpk= 20, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   41 TRP  HH2          33 TRP  HB-         6.00    (#   1628:20  Unique         2.56, 2.91 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   37 ALA  MB           33 TRP  HB+         3.50    (#   1631:20  Unique         3.60, 4.78 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 606, 607, 608,
 igr2= 546, 547,
 &end
#
#   37 ALA  MB           33 TRP  HB-         3.50    (#   1632:20  Unique         3.60, 4.78 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 606, 607, 608,
 igr2= 546, 547,
 &end
#
#   38 VAL  MGX          33 TRP  HB-         2.60    (#   1633:20  Unique         3.03, 5.34 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 546, 547,
 &end
#
#   38 VAL  MGX          33 TRP  HB+         3.50    (#   1634:20  Unique         3.03, 5.34 A)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 546, 547,
 &end
#
#   30 LYS  HB-          30 LYS  HE+         2.60    (#   1635:20  Unique         2.67, 3.71 A)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 492, 493,
 igr2= 501, 502,
 &end
#
#   30 LYS  HB-          30 LYS  HE-         3.50    (#   1636:20  Unique         2.67, 3.71 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 492, 493,
 igr2= 501, 502,
 &end
#
#   30 LYS  HB+          30 LYS  HA          3.50    (#   1637:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 492, 493,
 &end
#
#   30 LYS  HB-          35 PRO  HB-         3.50    (#   1638:20  Unique         2.21, 3.95 A)
 &rst
  ixpk= 1638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 492, 493,
 igr2= 580, 581,
 &end
#
#   24 LYS  HB+          23 HIS  HA          6.00    (#   1639:20  Unique         4.19, 4.83 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 376, 377,
 &end
#
#   30 LYS  HB-          35 PRO  HA          2.60    (#   1640:20  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   25 THR  MG2          29 TRP  HE1         4.30    (#      0:10  Unique         2.78, 3.43 A)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 400, 401, 402,
 &end
#
#   29 TRP  HD1          29 TRP  HE1         2.60    (#      1:10  Unique         2.54, 2.55 A)
 &rst
  ixpk= 1, nxpk= 10, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   37 ALA  MB           41 TRP  HE1         4.30    (#      2:10  Unique         3.14, 4.33 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 606, 607, 608,
 &end
#
#   10 PRO  HG+          41 TRP  HE1         4.30    (#      3:10  Unique         3.52, 4.77 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 176, 177,
 &end
#
#   15 VAL  HA            9 ASN  HN          4.30    (#      5:10  Unique         3.57, 3.66 A)
 &rst
  ixpk= 5, nxpk= 10, iat= 242, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    8 LYS  HA            9 ASN  HN          2.60    (#      6:10  Unique         2.17, 2.22 A)
 &rst
  ixpk= 6, nxpk= 10, iat= 138, 158, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    9 ASN  HA            9 ASN  HN          4.30    (#      7:10  Unique         2.99, 3.01 A)
 &rst
  ixpk= 7, nxpk= 10, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 ASN  HB+           9 ASN  HN          2.60    (#      8:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 162, 163,
 &end
#
#    8 LYS  HG+           9 ASN  HN          4.30    (#      9:10  Unique         2.55, 2.82 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 143, 144,
 &end
#
#    9 ASN  HB-           9 ASN  HN          2.60    (#     10:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 162, 163,
 &end
#
#    1 ALA  HA            1 ALA  HN          4.30    (#     12:10  Unique         3.94, 5.33 A)
 &rst
  ixpk= 12, nxpk= 10, iat=   6,   2, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    1 ALA  MB            1 ALA  HN          4.30    (#     13:10  Unique         3.58, 5.37 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1,   2, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   8,   9,  10,
 &end
#
#    4 VAL  HA            5 LYS  HN          2.20    (#     14:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 14, nxpk= 10, iat=  62,  76, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  10-2:15       5 LYS  HN          4.30    (#     15:10  Single Ambig)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  64, 279, 280, 279, 280,
 &end
#
#    5 LYS  HB+           5 LYS  HN          2.60    (#     16:10  Unique         2.29, 2.97 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  80,  81,
 &end
#
#    5 LYS  HB-           5 LYS  HN          4.30    (#     17:10  Unique         2.29, 2.97 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#    5 LYS  HG+           5 LYS  HN          4.30    (#     18:10  Unique         3.19, 3.80 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  83,  84,
 &end
#
#    4 VAL  MGX           5 LYS  HN          2.60    (#     19:10  Unique         2.45, 3.97 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  10-2:20       5 LYS  HN          4.30    (#     20:10  Single Ambig)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  83,  84, 296, 297, 298,
 &end
#
#   44 LEU  HA           44 LEU  HN          4.30    (#     24:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   43 THR  HA           44 LEU  HN          2.60    (#     25:10  Unique         2.05, 2.10 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 690, 702, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   43 THR  HB           44 LEU  HN          4.30    (#     26:10  Unique         3.50, 3.52 A)
 &rst
  ixpk= 26, nxpk= 10, iat= 692, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:27      44 LEU  HN          2.60    (#     27:10  Single Ambig)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 706, 707, 709,
 &end
#
#   43 THR  MG2          44 LEU  HN          4.30    (#     28:10  Unique         3.97, 4.75 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 694, 695, 696,
 &end
#
#   44 LEU  HA           45 LEU  HN          2.60    (#     29:10  Unique         2.11, 2.15 A)
 &rst
  ixpk= 29, nxpk= 10, iat= 704, 721, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:30      45 LEU  HN          2.20    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr1= 728, 725, 726, 725, 726, 706, 707, 706, 707,
 &end
#
#    0 AMB  10-2:31      45 LEU  HN          4.30    (#     31:10  Single Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
       735, 736,
 &end
#
#   45 LEU  HA           45 LEU  HN          4.30    (#     33:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HA           41 TRP  HN          4.30    (#     35:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 35, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HA           41 TRP  HN          4.30    (#     36:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 36, nxpk= 10, iat= 645, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HB+          41 TRP  HN          4.30    (#     37:10  Unique         2.64, 3.16 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#   41 TRP  HB-          41 TRP  HN          2.60    (#     38:10  Unique         2.64, 3.16 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 658, 659,
 &end
#
#   38 VAL  HA           41 TRP  HN          4.30    (#     39:10  Unique         2.97, 3.05 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 614, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:40      41 TRP  HN          4.30    (#     40:10  Single Ambig)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
 &end
#
#    6 GLN  HA            7 TYR  HN          2.60    (#     41:10  Unique         2.24, 2.24 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 100, 115, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    7 TYR  HB+           7 TYR  HN          4.30    (#     42:10  Unique         2.70, 3.30 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    0 AMB  10-2:43       7 TYR  HN          4.30    (#     43:10  Single Ambig)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 105, 106, 102, 103,
 &end
#
#   17 GLU  HA           17 GLU  HN          4.30    (#     45:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 45, nxpk= 10, iat= 277, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   17 GLU  HG+          17 GLU  HN          4.30    (#     47:10  Unique         3.34, 4.03 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 282, 283,
 &end
#
#   17 GLU  HG-          17 GLU  HN          4.30    (#     48:10  Unique         3.34, 4.03 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 282, 283,
 &end
#
#    0 AMB  10-2:49      17 GLU  HN          2.60    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 279, 280, 279, 280,
 &end
#
#   16 ILE  MG2          17 GLU  HN          4.30    (#     50:10  Unique         3.82, 4.40 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  HB           17 GLU  HN          2.60    (#     51:10  Unique         2.30, 2.34 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 260, 275, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:53      37 ALA  HN          2.80    (#     53:10  Single Ambig)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 604, 589,
 &end
#
#   36 GLU  HB+          37 ALA  HN          2.60    (#     54:10  Unique         2.61, 3.11 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#   37 ALA  MB           37 ALA  HN          2.20    (#     55:10  Unique         2.45, 2.87 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 606, 607, 608,
 &end
#
#    0 AMB  10-2:57       3 LYS  HN          2.60    (#     57:10  Single Ambig)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  42,  43,  21,  22,
 &end
#
#    3 LYS  HG-           3 LYS  HN          4.30    (#     58:10  Unique         2.18, 3.35 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  45,  46,
 &end
#
#   41 TRP  HB-           8 LYS  HN          4.30    (#     59:10  Unique         2.19, 2.83 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#    8 LYS  HA            8 LYS  HN          4.30    (#     60:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 138, 136, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HA            8 LYS  HN          2.60    (#     61:10  Unique         2.24, 2.27 A)
 &rst
  ixpk= 61, nxpk= 10, iat= 117, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   41 TRP  HB+           8 LYS  HN          4.30    (#     63:10  Unique         2.19, 2.83 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#    7 TYR  HB-           8 LYS  HN          4.30    (#     64:10  Unique         2.72, 3.36 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    8 LYS  HB+           8 LYS  HN          4.30    (#     65:10  Unique         2.66, 2.94 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#    8 LYS  HB-           8 LYS  HN          4.30    (#     66:10  Unique         2.66, 2.94 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#    0 AMB  10-2:68      16 ILE  HN          4.30    (#     68:10  Single Ambig)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 260, 146, 147,
 &end
#
#    0 AMB  10-2:69      16 ILE  HN          2.60    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 266, 267, 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HA           16 ILE  HN          2.60    (#     70:10  Unique         2.20, 2.21 A)
 &rst
  ixpk= 70, nxpk= 10, iat= 242, 256, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   16 ILE  HG1-         16 ILE  HN          4.30    (#     71:10  Unique         2.46, 2.83 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 266, 267,
 &end
#
#   15 VAL  MGX          16 ILE  HN          2.60    (#     72:10  Unique         2.64, 4.09 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  MG2          16 ILE  HN          4.30    (#     73:10  Unique         3.44, 4.13 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 262, 263, 264,
 &end
#
#   15 VAL  HA           15 VAL  HN          4.30    (#     74:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   14 GLU  HA           15 VAL  HN          2.20    (#     75:10  Unique         2.11, 2.18 A)
 &rst
  ixpk= 75, nxpk= 10, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  10-2:76      15 VAL  HN          2.60    (#     76:10  Single Ambig)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB+          15 VAL  HN          4.30    (#     77:10  Unique         2.82, 3.51 A)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 229, 230,
 &end
#
#   14 GLU  HB-          15 VAL  HN          4.30    (#     78:10  Unique         2.82, 3.51 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 229, 230,
 &end
#
#   15 VAL  HB           15 VAL  HN          2.60    (#     79:10  Unique         2.63, 2.65 A)
 &rst
  ixpk= 79, nxpk= 10, iat= 244, 240, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    6 GLN  HA            6 GLN  HN          4.30    (#     80:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 80, nxpk= 10, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    6 GLN  HB+           6 GLN  HN          2.60    (#     82:10  Unique         2.21, 2.56 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 102, 103,
 &end
#
#    6 GLN  HB-           6 GLN  HN          4.30    (#     83:10  Unique         2.21, 2.56 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 102, 103,
 &end
#
#    0 AMB  10-2:84       6 GLN  HN          4.30    (#     84:10  Single Ambig)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 728,  80,  81,
 &end
#
#    0 AMB  10-2:85       6 GLN  HN          4.30    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 730, 731, 732, 734, 735, 736,  66,  67,  68,  70,
        71,  72, 711, 712, 713, 715, 716, 717,
 &end
#
#   42 ALA  MB           42 ALA  HN          2.60    (#     87:10  Unique         2.38, 2.91 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 682, 683, 684,
 &end
#
#    3 LYS  HA            4 VAL  HN          2.20    (#     88:10  Unique         1.95, 2.10 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  40,  60, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    4 VAL  HA            4 VAL  HN          4.30    (#     89:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  62,  60, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    4 VAL  HB            4 VAL  HN          2.60    (#     90:10  Unique         1.98, 2.07 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  64,  60, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    3 LYS  HB-           4 VAL  HN          2.60    (#     91:10  Unique         2.31, 3.10 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  42,  43,
 &end
#
#    4 VAL  MGY           4 VAL  HN          2.60    (#     92:10  Unique         2.77, 4.00 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  10-2:93       2 ARG  HN          2.60    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=   6,  16,
 &end
#
#    2 ARG  HB+           2 ARG  HN          4.30    (#     94:10  Unique         2.42, 3.20 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  18,  19,
 &end
#
#    2 ARG  HB-           2 ARG  HN          4.30    (#     95:10  Unique         2.42, 3.20 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  18,  19,
 &end
#
#    0 AMB  10-2:96       2 ARG  HN          4.30    (#     96:10  Single Ambig)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   8,   9,  10,  45,  46,
 &end
#
#   25 THR  HB           26 LEU  HN          4.30    (#     97:10  Unique         2.76, 2.88 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 398, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   26 LEU  HA           26 LEU  HN          4.30    (#     98:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 98, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   26 LEU  HB+          26 LEU  HN          4.30    (#     99:10  Unique         2.35, 2.55 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 412, 413,
 &end
#
#   26 LEU  HB-          26 LEU  HN          2.60    (#    100:10  Unique         2.35, 2.55 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 412, 413,
 &end
#
#    0 AMB  10-2:101     31 ALA  HN          2.80    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 512, 451,
 &end
#
#   27 LYS  HA           31 ALA  HN          4.30    (#    102:10  Unique         3.92, 3.98 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 429, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   30 LYS  HA           31 ALA  HN          4.30    (#    103:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 490, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   30 LYS  HB+          31 ALA  HN          2.60    (#    104:10  Unique         2.69, 3.21 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           31 ALA  HN          2.20    (#    105:10  Unique         2.46, 2.85 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 514, 515, 516,
 &end
#
#   30 LYS  HB-          31 ALA  HN          4.30    (#    106:10  Unique         2.69, 3.21 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 492, 493,
 &end
#
#   28 GLU  HA           28 GLU  HN          2.80    (#    107:10  Unique         2.73, 2.74 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 451, 449, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:108     28 GLU  HN          4.30    (#    108:10  Single Ambig)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 396, 429, 374,
 &end
#
#   28 GLU  HG+          28 GLU  HN          2.60    (#    109:10  Unique         2.63, 3.23 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB+          28 GLU  HN          2.60    (#    110:10  Unique         2.27, 2.93 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 453, 454,
 &end
#
#   28 GLU  HG-          28 GLU  HN          4.30    (#    111:10  Unique         2.63, 3.23 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB-          28 GLU  HN          2.60    (#    112:10  Unique         2.27, 2.93 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 453, 454,
 &end
#
#    0 AMB  10-2:113     28 GLU  HN          2.60    (#    113:10  Single Ambig)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 431, 432, 431, 432,
 &end
#
#   29 TRP  HA           29 TRP  HN          4.30    (#    114:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 114, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HA           29 TRP  HN          4.30    (#    115:10  Unique         3.57, 3.58 A)
 &rst
  ixpk= 115, nxpk= 10, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:116     29 TRP  HN          2.60    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 468, 469, 468, 469,
 &end
#
#   26 LEU  HA           29 TRP  HN          4.30    (#    117:10  Unique         3.17, 3.29 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 410, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HB+          29 TRP  HN          4.30    (#    118:10  Unique         2.67, 2.98 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 453, 454,
 &end
#
#   28 GLU  HB-          29 TRP  HN          4.30    (#    119:10  Unique         2.67, 2.98 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 453, 454,
 &end
#
#   12 THR  HB           14 GLU  HN          4.30    (#    120:10  Unique         3.29, 3.49 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 208, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   14 GLU  HA           14 GLU  HN          4.30    (#    121:10  Unique         2.77, 2.85 A)
 &rst
  ixpk= 121, nxpk= 10, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:122     14 GLU  HN          2.60    (#    122:10  Single Ambig)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB+          14 GLU  HN          4.30    (#    123:10  Unique         2.14, 2.82 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 229, 230,
 &end
#
#   14 GLU  HB-          14 GLU  HN          2.60    (#    124:10  Unique         2.14, 2.82 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 229, 230,
 &end
#
#   30 LYS  HA           30 LYS  HN          4.30    (#    125:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   27 LYS  HA           30 LYS  HN          4.30    (#    126:10  Unique         3.29, 3.36 A)
 &rst
  ixpk= 126, nxpk= 10, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:127     30 LYS  HN          4.30    (#    127:10  Single Ambig)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 468, 469, 468, 469,
 &end
#
#   30 LYS  HB+          30 LYS  HN          2.60    (#    128:10  Unique         2.46, 3.08 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   30 LYS  HG+          30 LYS  HN          2.60    (#    129:10  Unique         2.24, 2.89 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 495, 496,
 &end
#
#   30 LYS  HB-          30 LYS  HN          4.30    (#    130:10  Unique         2.46, 3.08 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 492, 493,
 &end
#
#   30 LYS  HG-          30 LYS  HN          4.30    (#    131:10  Unique         2.24, 2.89 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGX          30 LYS  HN          4.30    (#    132:10  Unique         3.19, 4.49 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  10-2:134     25 THR  HN          4.30    (#    134:10  Single Ambig)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 396, 374,
 &end
#
#   25 THR  HB           25 THR  HN          4.30    (#    135:10  Unique         2.58, 2.79 A)
 &rst
  ixpk= 135, nxpk= 10, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   11 HIS  HB-          11 HIS  HN          4.30    (#    137:10  Unique         2.35, 2.98 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#   36 GLU  HA           36 GLU  HN          2.80    (#    138:10  Unique         2.76, 2.77 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 PRO  HG+          36 GLU  HN          2.60    (#    139:10  Unique         2.65, 3.44 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 577, 578,
 &end
#
#    0 AMB  10-2:140     27 LYS  HN          2.60    (#    140:10  Single Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 429, 374,
 &end
#
#    0 AMB  10-2:141     27 LYS  HN          2.60    (#    141:10  Single Ambig)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  10-2:142     27 LYS  HN          2.60    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 434, 435, 412, 413,
 &end
#
#   26 LEU  HB-          27 LYS  HN          4.30    (#    143:10  Unique         2.45, 3.20 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 412, 413,
 &end
#
#    0 AMB  10-2:144     32 LYS  HN          4.30    (#    144:10  Single Ambig)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 512, 451,
 &end
#
#   32 LYS  HA           32 LYS  HN          4.30    (#    145:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 145, nxpk= 10, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   32 LYS  HB+          32 LYS  HN          2.60    (#    146:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   32 LYS  HB-          32 LYS  HN          2.60    (#    147:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   43 THR  HA           43 THR  HN          4.30    (#    149:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 690, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   43 THR  HB           43 THR  HN          4.30    (#    150:10  Unique         3.72, 3.75 A)
 &rst
  ixpk= 150, nxpk= 10, iat= 692, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:151      0 AMB  10-1:151    4.30    (#    151:10  Double Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
 igr2= 688, 542,
 &end
#
#    0 AMB  10-2:152      0 AMB  10-1:152    4.30    (#    152:10  Double Ambig)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 694, 695, 696, 530, 531,
 igr2= 688, 542,
 &end
#
#   38 VAL  HA           38 VAL  HN          4.30    (#    153:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:154     38 VAL  HN          4.30    (#    154:10  Single Ambig)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 583, 604, 589,
 &end
#
#   38 VAL  HB           38 VAL  HN          2.60    (#    155:10  Unique         2.39, 2.42 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 616, 612, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   37 ALA  MB           38 VAL  HN          2.60    (#    156:10  Unique         2.41, 3.26 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  MGY          38 VAL  HN          4.30    (#    157:10  Unique         2.21, 3.82 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          38 VAL  HN          2.60    (#    158:10  Unique         2.21, 3.82 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HB+          33 TRP  HN          4.30    (#    159:10  Unique         2.56, 3.17 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 546, 547,
 &end
#
#   33 TRP  HB-          33 TRP  HN          4.30    (#    160:10  Unique         2.56, 3.17 A)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 546, 547,
 &end
#
#   39 GLU  HA           39 GLU  HN          4.30    (#    161:10  Unique         2.90, 2.90 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:162     39 GLU  HN          4.30    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 589, 583, 604,
 &end
#
#    0 AMB  10-2:163     39 GLU  HN          2.60    (#    163:10  Single Ambig)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 635, 636, 635, 636,
 &end
#
#   39 GLU  HB+          39 GLU  HN          4.30    (#    164:10  Unique         2.32, 2.98 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 632, 633,
 &end
#
#   39 GLU  HB-          39 GLU  HN          2.60    (#    165:10  Unique         2.32, 2.98 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#   38 VAL  HB           39 GLU  HN          4.30    (#    166:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 166, nxpk= 10, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:167     39 GLU  HN          4.30    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
 &end
#
#   40 SER  HA           40 SER  HN          4.30    (#    168:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 168, nxpk= 10, iat= 645, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   39 GLU  HA           40 SER  HN          4.30    (#    169:10  Unique         3.51, 3.54 A)
 &rst
  ixpk= 169, nxpk= 10, iat= 630, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HB+          40 SER  HN          4.30    (#    170:10  Unique         2.55, 2.87 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 647, 648,
 &end
#
#   40 SER  HB-          40 SER  HN          2.60    (#    171:10  Unique         2.55, 2.87 A)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 647, 648,
 &end
#
#    0 AMB  10-2:172     40 SER  HN          4.30    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 604, 589,
 &end
#
#   39 GLU  HB+          40 SER  HN          4.30    (#    173:10  Unique         2.95, 3.43 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 632, 633,
 &end
#
#   39 GLU  HB-          40 SER  HN          4.30    (#    174:10  Unique         2.95, 3.43 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 632, 633,
 &end
#
#   17 GLU  HA           18 THR  HN          2.60    (#    175:10  Unique         2.13, 2.16 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 277, 290, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:177     18 THR  HN          4.30    (#    177:10  Single Ambig)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 279, 280, 279, 280,
 &end
#
#   18 THR  MG2          18 THR  HN          2.60    (#    178:10  Unique         2.59, 3.27 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 296, 297, 298,
 &end
#
#    4 VAL  MGX          18 THR  HN          4.30    (#    179:10  Unique         2.50, 4.48 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   22 ASN  HB-          22 ASN  HD2+        4.30    (#    181:10  Unique         2.23, 3.23 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#    6 GLN  HG+           6 GLN  HE2+        2.60    (#    183:10  Unique         2.44, 3.48 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 105, 106,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:184      0 AMB  10-1:184    4.30    (#    184:10  Double Ambig)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 102, 103, 105, 106,
 igr2= 110, 111, 110, 111,
 &end
#
#   15 VAL  MGX           6 GLN  HE2+        4.30    (#    185:10  Unique         3.89, 6.47 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 110, 111,
 &end
#
#    6 GLN  HG+           6 GLN  HE2-        4.30    (#    186:10  Unique         2.44, 3.48 A)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 105, 106,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:187      6 GLN  HE2-        4.30    (#    187:10  Single Ambig)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 102, 103, 105, 106,
 igr2= 110, 111,
 &end
#
#   15 VAL  MGX           6 GLN  HE2-        4.30    (#    188:10  Unique         3.89, 6.47 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 110, 111,
 &end
#
#   13 GLY  HA+          13 GLY  HN          4.30    (#    189:10  Unique         2.34, 2.67 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 220, 221,
 &end
#
#   13 GLY  HA-          13 GLY  HN          2.60    (#    190:10  Unique         2.34, 2.67 A)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 220, 221,
 &end
#
#   34 GLY  HA+          34 GLY  HN          4.30    (#    191:10  Unique         2.35, 2.67 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 568, 569,
 &end
#
#   34 GLY  HA-          34 GLY  HN          2.60    (#    192:10  Unique         2.35, 2.67 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 568, 569,
 &end
#
#   45 LEU  HA           46 GLY  HN          2.60    (#    196:10  Unique         2.23, 2.39 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:197     46 GLY  HN          2.60    (#    197:10  Single Ambig)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 742, 743, 742, 743,
 &end
#
#    0 AMB  10-2:198     46 GLY  HN          4.30    (#    198:10  Single Ambig)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 725, 726, 706, 707,
 &end
#
#   12 THR  MG2          12 THR  HN          4.30    (#    200:10  Unique         2.74, 3.56 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 210, 211, 212,
 &end
#
#   41 TRP  HZ2          41 TRP  HE1         4.30    (#    201:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 201, nxpk= 10, iat= 667, 664, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HD1          41 TRP  HE1         2.60    (#    202:10  Unique         2.55, 2.56 A)
 &rst
  ixpk= 202, nxpk= 10, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   29 TRP  HH2           9 ASN  HN          4.30    (#    203:10  Unique         3.46, 3.68 A)
 &rst
  ixpk= 203, nxpk= 10, iat= 479, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:204     41 TRP  HN          4.30    (#    204:10  Single Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 123, 132, 612,
 &end
#
#   41 TRP  HD1          41 TRP  HN          4.30    (#    205:10  Unique         2.96, 3.04 A)
 &rst
  ixpk= 205, nxpk= 10, iat= 662, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HD            7 TYR  HN          4.30    (#    206:10  Unique         2.86, 4.19 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 123, 132,
 &end
#
#   38 VAL  HN           37 ALA  HN          4.30    (#    207:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 207, nxpk= 10, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HD           42 ALA  HN          4.30    (#    208:10  Unique         3.51, 5.19 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 123, 132,
 &end
#
#   12 THR  HN           11 HIS  HN          4.30    (#    209:10  Unique         2.51, 2.64 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 204, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   38 VAL  HN           39 GLU  HN          4.30    (#    210:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   12 THR  HN           13 GLY  HN          2.60    (#    215:10  Unique         1.98, 2.00 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   40 SER  HN           41 TRP  HN          2.60    (#    217:10  Unique         2.53, 2.60 A)
 &rst
  ixpk= 217, nxpk= 10, iat= 643, 654, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   42 ALA  HN           41 TRP  HN          2.60    (#    218:10  Unique         2.60, 2.62 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 678, 654, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   32 LYS  HN           31 ALA  HN          2.60    (#    219:10  Unique         2.64, 2.65 A)
 &rst
  ixpk= 219, nxpk= 10, iat= 520, 510, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   28 GLU  HN           29 TRP  HN          4.30    (#    220:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HD1          29 TRP  HN          4.30    (#    221:10  Unique         2.56, 2.68 A)
 &rst
  ixpk= 221, nxpk= 10, iat= 472, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   26 LEU  HN           25 THR  HN          4.30    (#    222:10  Unique         2.86, 2.92 A)
 &rst
  ixpk= 222, nxpk= 10, iat= 408, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   26 LEU  HN           27 LYS  HN          4.30    (#    223:10  Unique         2.47, 2.53 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 408, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HN           27 LYS  HN          4.30    (#    224:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 449, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:225     33 TRP  HN          2.60    (#    225:10  Single Ambig)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 566, 520,
 &end
#
#   40 SER  HN           39 GLU  HN          4.30    (#    226:10  Unique         2.63, 2.65 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 643, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:227     13 GLY  HN          4.30    (#    227:10  Single Ambig)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 225, 186,
 &end
#
#   31 ALA  HN           30 LYS  HN          4.30    (#    228:10  Unique         2.66, 2.68 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 510, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   37 ALA  HN           36 GLU  HN          2.60    (#    229:10  Unique         2.66, 2.67 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 602, 587, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:230      6 GLN  HN          4.30    (#    230:10  Single Ambig)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 721,  76,
 &end
#
#    5 LYS  HN           18 THR  HN          4.30    (#    231:10  Unique         2.98, 3.13 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  76, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   16 ILE  HN            7 TYR  HN          4.30    (#    232:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 232, nxpk= 10, iat= 256, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   37 ALA  HN           38 VAL  HN          4.30    (#    233:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 233, nxpk= 10, iat= 602, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   39 GLU  HN           38 VAL  HN          4.30    (#    234:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 234, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   13 GLY  HN           12 THR  HN          4.30    (#    241:10  Unique         1.98, 2.00 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 218, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:242     12 THR  HN          4.30    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 186, 225,
 &end
#
#   41 TRP  HN           42 ALA  HN          2.60    (#    243:10  Unique         2.60, 2.62 A)
 &rst
  ixpk= 243, nxpk= 10, iat= 654, 678, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   25 THR  HN           26 LEU  HN          4.30    (#    244:10  Unique         2.86, 2.92 A)
 &rst
  ixpk= 244, nxpk= 10, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   27 LYS  HN           26 LEU  HN          4.30    (#    245:10  Unique         2.47, 2.53 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 427, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HN           28 GLU  HN          4.30    (#    246:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 464, 449, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:247     28 GLU  HN          4.30    (#    247:10  Single Ambig)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 427, 510,
 &end
#
#   13 GLY  HN           14 GLU  HN          4.30    (#    248:10  Unique         2.43, 2.52 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 218, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   33 TRP  HN           32 LYS  HN          4.30    (#    249:10  Unique         2.58, 2.66 A)
 &rst
  ixpk= 249, nxpk= 10, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   31 ALA  HN           32 LYS  HN          2.60    (#    250:10  Unique         2.64, 2.65 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   39 GLU  HN           40 SER  HN          2.60    (#    251:10  Unique         2.63, 2.65 A)
 &rst
  ixpk= 251, nxpk= 10, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   33 TRP  HN           34 GLY  HN          2.60    (#    252:10  Unique         2.05, 2.17 A)
 &rst
  ixpk= 252, nxpk= 10, iat= 542, 566, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   30 LYS  HN           31 ALA  HN          2.60    (#    253:10  Unique         2.66, 2.68 A)
 &rst
  ixpk= 253, nxpk= 10, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   18 THR  HN            5 LYS  HN          4.30    (#    254:10  Unique         2.98, 3.13 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 290,  76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HN           16 ILE  HN          4.30    (#    255:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 115, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:256     29 TRP  HE1         6.00    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 468, 469, 468, 469,
 &end
#
#   41 TRP  HA           41 TRP  HE1         6.00    (#    258:10  Unique         5.01, 5.05 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 656, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HA           41 TRP  HE1         6.00    (#    259:10  Unique         4.49, 4.56 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 604, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 PRO  HD+          41 TRP  HE1         6.00    (#    260:10  Unique         3.53, 4.48 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-          41 TRP  HE1         4.30    (#    261:10  Unique         3.52, 4.77 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 176, 177,
 &end
#
#   10 PRO  HD-          41 TRP  HE1         6.00    (#    262:10  Unique         3.53, 4.48 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#   23 HIS  HA           24 LYS  HN          4.30    (#    264:10  Unique         2.15, 2.22 A)
 &rst
  ixpk= 264, nxpk= 10, iat= 356, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   24 LYS  HA           24 LYS  HN          4.30    (#    265:10  Unique         2.67, 2.74 A)
 &rst
  ixpk= 265, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   24 LYS  HB+          24 LYS  HN          4.30    (#    266:10  Unique         2.07, 2.73 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#   24 LYS  HB-          24 LYS  HN          4.30    (#    267:10  Unique         2.07, 2.73 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#   25 THR  HN           24 LYS  HN          6.00    (#    268:10  Unique         3.13, 3.21 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 394, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 LYS  HG+          24 LYS  HN          6.00    (#    269:10  Unique         2.00, 3.81 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   16 ILE  MG2           9 ASN  HN          6.00    (#    270:10  Unique         5.97, 7.20 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#    8 LYS  HB-           9 ASN  HN          4.30    (#    271:10  Unique         3.83, 4.08 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#    8 LYS  HB+           9 ASN  HN          4.30    (#    272:10  Unique         3.83, 4.08 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#   15 VAL  HB            9 ASN  HN          6.00    (#    273:10  Unique         4.68, 5.93 A)
 &rst
  ixpk= 273, nxpk= 10, iat= 244, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HB-           9 ASN  HN          6.00    (#    274:10  Unique         3.75, 4.07 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#   14 GLU  HB+           9 ASN  HN          6.00    (#    275:10  Unique         3.75, 4.07 A)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:277      9 ASN  HN          6.00    (#    277:10  Single Ambig)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 225, 673, 186,
 &end
#
#    8 LYS  HN            9 ASN  HN          6.00    (#    278:10  Unique         4.37, 4.40 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 136, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN            9 ASN  HN          6.00    (#    279:10  Unique         5.24, 5.41 A)
 &rst
  ixpk= 279, nxpk= 10, iat= 256, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 LYS  HB+           1 ALA  HN          4.30    (#    280:10  Unique         5.49, 6.99 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1,   2, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  42,  43,
 &end
#
#    0 AMB  10-2:283      5 LYS  HN          6.00    (#    283:10  Single Ambig)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 277, 100,
 &end
#
#    0 AMB  10-2:287     44 LEU  HN          4.30    (#    287:10  Single Ambig)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
       735, 736,
 &end
#
#    4 VAL  HB           45 LEU  HN          4.30    (#    289:10  Unique         3.83, 3.91 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  64, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    4 VAL  HA           45 LEU  HN          6.00    (#    290:10  Unique         4.92, 4.95 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  62, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:291     45 LEU  HN          6.00    (#    291:10  Single Ambig)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  83,  84,  45,  46,
 &end
#
#   18 THR  MG2          19 LYS  HN          6.00    (#    292:10  Unique         3.77, 4.62 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 296, 297, 298,
 &end
#
#   19 LYS  HG+          19 LYS  HN          6.00    (#    293:10  Unique         2.12, 3.49 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 311, 312,
 &end
#
#   19 LYS  HB-          19 LYS  HN          4.30    (#    294:10  Unique         2.38, 2.96 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 308, 309,
 &end
#
#   19 LYS  HB+          19 LYS  HN          6.00    (#    295:10  Unique         2.38, 2.96 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 308, 309,
 &end
#
#   18 THR  HB           19 LYS  HN          6.00    (#    296:10  Unique         3.63, 3.72 A)
 &rst
  ixpk= 296, nxpk= 10, iat= 294, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HA           41 TRP  HN          4.30    (#    297:10  Unique         3.84, 3.91 A)
 &rst
  ixpk= 297, nxpk= 10, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   15 VAL  MGX           7 TYR  HN          4.30    (#    301:10  Unique         3.58, 5.54 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  10-2:302      7 TYR  HN          4.30    (#    302:10  Single Ambig)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 266, 267, 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  HG1-          7 TYR  HN          4.30    (#    303:10  Unique         3.16, 3.54 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 266, 267,
 &end
#
#    0 AMB  10-2:304      7 TYR  HN          6.00    (#    304:10  Single Ambig)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 260, 146, 147, 146, 147,
 &end
#
#    6 GLN  HB-           7 TYR  HN          4.30    (#    305:10  Unique         3.93, 4.11 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 102, 103,
 &end
#
#    6 GLN  HG+           7 TYR  HN          4.30    (#    306:10  Unique         2.60, 2.88 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 105, 106,
 &end
#
#    7 TYR  HB-           7 TYR  HN          4.30    (#    307:10  Unique         2.70, 3.30 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    7 TYR  HA            7 TYR  HN          4.30    (#    309:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 309, nxpk= 10, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:310      7 TYR  HN          6.00    (#    310:10  Single Ambig)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  98, 688,
 &end
#
#   40 SER  HB+          41 TRP  HN          4.30    (#    311:10  Unique         3.11, 3.65 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 647, 648,
 &end
#
#   38 VAL  MGX          41 TRP  HN          6.00    (#    312:10  Unique         4.76, 5.68 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    7 TYR  HE           41 TRP  HN          6.00    (#    313:10  Unique         4.56, 6.64 A)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    8 LYS  HA            7 TYR  HN          6.00    (#    315:10  Unique         4.85, 4.89 A)
 &rst
  ixpk= 315, nxpk= 10, iat= 138, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  MD1          17 GLU  HN          6.00    (#    318:10  Unique         4.61, 5.31 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  10-2:319     17 GLU  HN          4.30    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 246, 247, 248, 250, 251, 252,  66,  67,  68,  70,
        71,  72,
 &end
#
#    0 AMB  10-2:320     17 GLU  HN          4.30    (#    320:10  Single Ambig)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 266, 267, 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  HG1-         17 GLU  HN          4.30    (#    321:10  Unique         3.61, 4.18 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 266, 267,
 &end
#
#   38 VAL  MGX          37 ALA  HN          6.00    (#    324:10  Unique         4.46, 6.33 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   36 GLU  HG+          37 ALA  HN          4.30    (#    326:10  Unique         4.40, 4.71 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 594, 595,
 &end
#
#   36 GLU  HB-          37 ALA  HN          4.30    (#    327:10  Unique         2.61, 3.11 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 591, 592,
 &end
#
#    0 AMB  10-2:328     37 ALA  HN          6.00    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 594, 595, 580, 581,
 &end
#
#   34 GLY  HA+          37 ALA  HN          4.30    (#    330:10  Unique         3.38, 4.12 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 568, 569,
 &end
#
#    0 AMB  10-2:331     37 ALA  HN          6.00    (#    331:10  Single Ambig)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569, 647, 648,
 &end
#
#    7 TYR  HB+           8 LYS  HN          4.30    (#    336:10  Unique         2.72, 3.36 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    0 AMB  10-2:337      8 LYS  HN          6.00    (#    337:10  Single Ambig)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 162, 163, 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  10-2:338      8 LYS  HN          4.30    (#    338:10  Single Ambig)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 143, 144, 176, 177,
 &end
#
#   43 THR  MG2           8 LYS  HN          6.00    (#    339:10  Unique         6.06, 7.20 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 694, 695, 696,
 &end
#
#    7 TYR  HD            8 LYS  HN          4.30    (#    340:10  Unique         4.09, 4.97 A)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 123, 132,
 &end
#
#    0 AMB  10-2:341      8 LYS  HN          4.30    (#    341:10  Single Ambig)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 158, 688,
 &end
#
#   16 ILE  MG2          15 VAL  HN          6.00    (#    342:10  Unique         4.04, 4.96 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#   15 VAL  MGY          15 VAL  HN          2.60    (#    343:10  Unique         2.19, 4.14 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  MGX          15 VAL  HN          4.30    (#    344:10  Unique         2.19, 4.14 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  10-2:345      3 LYS  HN          4.30    (#    345:10  Single Ambig)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  45,  46,   8,   9,  10,
 &end
#
#   16 ILE  MD1          16 ILE  HN          6.00    (#    346:10  Unique         4.76, 4.97 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  10-2:347     16 ILE  HN          4.30    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 244, 279, 280, 279, 280,
 &end
#
#    7 TYR  HB-          16 ILE  HN          6.00    (#    348:10  Unique         3.44, 4.12 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    7 TYR  HB+          16 ILE  HN          4.30    (#    349:10  Unique         3.44, 4.12 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    8 LYS  HA           16 ILE  HN          4.30    (#    350:10  Unique         3.68, 3.73 A)
 &rst
  ixpk= 350, nxpk= 10, iat= 138, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HH2          16 ILE  HN          4.30    (#    351:10  Unique         3.40, 3.60 A)
 &rst
  ixpk= 351, nxpk= 10, iat= 479, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   15 VAL  HN           16 ILE  HN          6.00    (#    352:10  Unique         4.36, 4.36 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HN           16 ILE  HN          4.30    (#    353:10  Unique         4.35, 4.36 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 275, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    5 LYS  HG-           6 GLN  HN          4.30    (#    354:10  Unique         3.94, 4.47 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  83,  84,
 &end
#
#    5 LYS  HB+           6 GLN  HN          4.30    (#    355:10  Unique         3.46, 3.99 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#    6 GLN  HG+           6 GLN  HN          4.30    (#    356:10  Unique         4.23, 4.45 A)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 105, 106,
 &end
#
#    5 LYS  HG+           6 GLN  HN          4.30    (#    357:10  Unique         3.94, 4.47 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  83,  84,
 &end
#
#   43 THR  HB            6 GLN  HN          6.00    (#    358:10  Unique         4.19, 4.28 A)
 &rst
  ixpk= 358, nxpk= 10, iat= 692,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:359      6 GLN  HN          6.00    (#    359:10  Single Ambig)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 690, 723,
 &end
#
#   44 LEU  HA            6 GLN  HN          4.30    (#    360:10  Unique         3.66, 3.72 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 704,  98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HN            6 GLN  HN          6.00    (#    362:10  Unique         4.53, 4.55 A)
 &rst
  ixpk= 362, nxpk= 10, iat= 115,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HB-          42 ALA  HN          4.30    (#    363:10  Unique         3.29, 3.77 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#   41 TRP  HB+          42 ALA  HN          6.00    (#    364:10  Unique         3.29, 3.77 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 658, 659,
 &end
#
#   39 GLU  HA           42 ALA  HN          4.30    (#    365:10  Unique         3.13, 3.22 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 630, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HA           42 ALA  HN          4.30    (#    366:10  Unique         3.61, 3.67 A)
 &rst
  ixpk= 366, nxpk= 10, iat= 645, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:367     42 ALA  HN          4.30    (#    367:10  Single Ambig)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 656, 117,
 &end
#
#    7 TYR  HE           42 ALA  HN          4.30    (#    368:10  Unique         3.57, 5.31 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 125, 130,
 &end
#
#    0 AMB  10-2:370     42 ALA  HN          4.30    (#    370:10  Single Ambig)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 643, 673,
 &end
#
#    0 AMB  10-2:371     42 ALA  HN          6.00    (#    371:10  Single Ambig)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 688,  98,
 &end
#
#    0 AMB  10-2:372      4 VAL  HN          4.30    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  45,  46,  83,  84,
 &end
#
#    0 AMB  10-2:373      4 VAL  HN          4.30    (#    373:10  Single Ambig)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  45,  46,
 &end
#
#    0 AMB  10-2:374      4 VAL  HN          4.30    (#    374:10  Single Ambig)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 725, 726, 709,
 &end
#
#    2 ARG  HG-           2 ARG  HN          4.30    (#    376:10  Unique         2.27, 2.94 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  21,  22,
 &end
#
#   16 ILE  MD1          26 LEU  HN          4.30    (#    377:10  Unique         3.33, 4.09 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 269, 270, 271,
 &end
#
#   26 LEU  MDY          26 LEU  HN          6.00    (#    378:10  Unique         4.59, 5.24 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDX          26 LEU  HN          6.00    (#    379:10  Unique         4.59, 5.24 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  10-2:380     26 LEU  HN          4.30    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 400, 401, 402, 262, 263, 264,
 &end
#
#    0 AMB  10-2:381     26 LEU  HN          6.00    (#    381:10  Single Ambig)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 431, 432, 431, 432, 495, 496,
 &end
#
#   23 HIS  HB-          26 LEU  HN          4.30    (#    382:10  Unique         3.23, 4.16 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 358, 359,
 &end
#
#   23 HIS  HB+          26 LEU  HN          6.00    (#    383:10  Unique         3.23, 4.16 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 358, 359,
 &end
#
#    0 AMB  10-2:384     26 LEU  HN          4.30    (#    384:10  Single Ambig)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 396, 374, 429,
 &end
#
#   38 VAL  MGX          31 ALA  HN          6.00    (#    385:10  Unique         4.99, 6.50 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   25 THR  MG2          28 GLU  HN          6.00    (#    386:10  Unique         5.66, 6.16 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 400, 401, 402,
 &end
#
#    0 AMB  10-2:387     31 ALA  HN          4.30    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 495, 496, 524, 525,
 &end
#
#    0 AMB  10-2:388     28 GLU  HN          6.00    (#    388:10  Single Ambig)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 379, 380, 434, 435,
 &end
#
#   27 LYS  HG-          31 ALA  HN          6.00    (#    389:10  Unique         5.70, 6.47 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 434, 435,
 &end
#
#    0 AMB  10-2:390     28 GLU  HN          4.30    (#    390:10  Single Ambig)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 382, 383, 382, 383, 437, 438, 437, 438, 412, 413,
      
 &end
#
#    0 AMB  10-2:391     31 ALA  HN          6.00    (#    391:10  Single Ambig)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 456, 457, 580, 581,
 &end
#
#    0 AMB  10-2:392     31 ALA  HN          6.00    (#    392:10  Single Ambig)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534, 453, 454,
 &end
#
#   26 LEU  HA           28 GLU  HN          6.00    (#    393:10  Unique         4.57, 4.63 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 410, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:395     31 ALA  HN          6.00    (#    395:10  Single Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 522, 583,
 &end
#
#   29 TRP  HA           31 ALA  HN          6.00    (#    396:10  Unique         4.33, 4.41 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 466, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HN           31 ALA  HN          6.00    (#    397:10  Unique         4.32, 4.37 A)
 &rst
  ixpk= 397, nxpk= 10, iat= 542, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HN           31 ALA  HN          6.00    (#    398:10  Unique         4.19, 4.25 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 464, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HN           31 ALA  HN          6.00    (#    399:10  Unique         4.19, 4.25 A)
 &rst
  ixpk= 399, nxpk= 10, iat= 464, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:400     29 TRP  HN          4.30    (#    400:10  Single Ambig)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 400, 401, 402, 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  10-2:401     29 TRP  HN          6.00    (#    401:10  Single Ambig)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  10-2:402     29 TRP  HN          6.00    (#    402:10  Single Ambig)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534, 456, 457,
 &end
#
#   28 GLU  HG-          29 TRP  HN          4.30    (#    403:10  Unique         4.65, 4.87 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 456, 457,
 &end
#
#    0 AMB  10-2:404     29 TRP  HN          4.30    (#    404:10  Single Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 396, 429,
 &end
#
#   26 LEU  HN           29 TRP  HN          6.00    (#    405:10  Unique         4.63, 4.65 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 408, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:406     29 TRP  HN          4.30    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 510, 427,
 &end
#
#   30 LYS  HN           29 TRP  HN          4.30    (#    407:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 407, nxpk= 10, iat= 488, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 ASN  HB-          14 GLU  HN          4.30    (#    408:10  Unique         2.81, 3.96 A)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 162, 163,
 &end
#
#   15 VAL  MGY          14 GLU  HN          6.00    (#    409:10  Unique         5.28, 7.30 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   12 THR  MG2          14 GLU  HN          4.30    (#    410:10  Unique         4.71, 5.03 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 210, 211, 212,
 &end
#
#   13 GLY  HA-          14 GLU  HN          4.30    (#    411:10  Unique         3.21, 3.35 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 220, 221,
 &end
#
#   12 THR  HA           14 GLU  HN          6.00    (#    412:10  Unique         4.35, 4.42 A)
 &rst
  ixpk= 412, nxpk= 10, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HN           14 GLU  HN          6.00    (#    414:10  Unique         3.46, 3.62 A)
 &rst
  ixpk= 414, nxpk= 10, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HN           14 GLU  HN          6.00    (#    415:10  Unique         4.61, 4.64 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 240, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASN  HN           14 GLU  HN          6.00    (#    416:10  Unique         3.85, 3.90 A)
 &rst
  ixpk= 416, nxpk= 10, iat= 158, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  MGY          30 LYS  HN          4.30    (#    417:10  Unique         3.19, 4.49 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   31 ALA  MB           30 LYS  HN          6.00    (#    418:10  Unique         4.80, 5.36 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#   26 LEU  HA           30 LYS  HN          6.00    (#    419:10  Unique         3.98, 4.05 A)
 &rst
  ixpk= 419, nxpk= 10, iat= 410, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:420     30 LYS  HN          6.00    (#    420:10  Single Ambig)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 583, 522,
 &end
#
#    0 AMB  10-2:421     30 LYS  HN          6.00    (#    421:10  Single Ambig)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 451, 512,
 &end
#
#   29 TRP  HA           30 LYS  HN          6.00    (#    422:10  Unique         3.57, 3.57 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 466, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:423     30 LYS  HN          6.00    (#    423:10  Single Ambig)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 520, 472, 566,
 &end
#
#   28 GLU  HN           30 LYS  HN          6.00    (#    424:10  Unique         4.33, 4.36 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 449, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:425     22 ASN  HN          6.00    (#    425:10  Single Ambig)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 344, 345,
 &end
#
#   22 ASN  HB+          22 ASN  HN          6.00    (#    426:10  Unique         2.39, 2.69 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 344, 345,
 &end
#
#    0 AMB  10-2:427     22 ASN  HN          4.50    (#    427:10  Single Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 335, 336, 335, 336,
 &end
#
#    0 AMB  10-2:428     47 HIS  HN          4.30    (#    428:10  Single Ambig)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 742, 743, 742, 743,
 &end
#
#   47 HIS  HB-          47 HIS  HN          6.00    (#    429:10  Unique         2.62, 3.34 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#   16 ILE  MD1          25 THR  HN          6.00    (#    430:10  Unique         4.96, 5.79 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  10-2:431     25 THR  HN          4.30    (#    431:10  Single Ambig)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 400, 401, 402, 262, 263, 264,
 &end
#
#   24 LYS  HG-          25 THR  HN          6.00    (#    432:10  Unique         3.37, 4.53 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   24 LYS  HG+          25 THR  HN          6.00    (#    433:10  Unique         3.37, 4.53 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#    0 AMB  10-2:434     25 THR  HN          6.00    (#    434:10  Single Ambig)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 412, 413, 434, 435,
 &end
#
#   24 LYS  HB-          25 THR  HN          4.30    (#    435:10  Unique         2.53, 3.24 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#   24 LYS  HB+          25 THR  HN          4.30    (#    436:10  Unique         2.53, 3.24 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#    0 AMB  10-2:438     25 THR  HN          4.30    (#    438:10  Single Ambig)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 364, 449,
 &end
#
#    0 AMB  10-2:439     25 THR  HN          6.00    (#    439:10  Single Ambig)
 &rst
  ixpk= 439, nxpk= 10, iat= 427, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 PRO  HD+          11 HIS  HN          6.00    (#    440:10  Unique         3.17, 3.81 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#   11 HIS  HB+          11 HIS  HN          4.30    (#    441:10  Unique         2.35, 2.98 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#   10 PRO  HB-          11 HIS  HN          6.00    (#    442:10  Unique         3.02, 3.77 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#   10 PRO  HD-          11 HIS  HN          4.30    (#    443:10  Unique         3.17, 3.81 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-          11 HIS  HN          4.30    (#    444:10  Unique         3.03, 4.60 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 176, 177,
 &end
#
#   10 PRO  HA           11 HIS  HN          6.00    (#    445:10  Unique         3.46, 3.54 A)
 &rst
  ixpk= 445, nxpk= 10, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 HIS  HA           11 HIS  HN          4.30    (#    446:10  Unique         2.87, 2.91 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   13 GLY  HN           11 HIS  HN          6.00    (#    448:10  Unique         3.84, 3.94 A)
 &rst
  ixpk= 448, nxpk= 10, iat= 218, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  MB           36 GLU  HN          4.30    (#    450:10  Unique         4.78, 5.36 A)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 606, 607, 608,
 &end
#
#   35 PRO  HD-          36 GLU  HN          4.30    (#    453:10  Unique         3.09, 3.69 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 574, 575,
 &end
#
#   34 GLY  HA-          36 GLU  HN          6.00    (#    454:10  Unique         3.88, 4.11 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#   34 GLY  HA+          36 GLU  HN          4.30    (#    455:10  Unique         3.88, 4.11 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 568, 569,
 &end
#
#   38 VAL  HN           36 GLU  HN          6.00    (#    458:10  Unique         4.22, 4.25 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 612, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HN           36 GLU  HN          6.00    (#    459:10  Unique         4.67, 4.69 A)
 &rst
  ixpk= 459, nxpk= 10, iat= 628, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  MDX          27 LYS  HN          6.00    (#    460:10  Unique         4.38, 5.39 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   27 LYS  HG-          27 LYS  HN          4.30    (#    461:10  Unique         2.20, 3.00 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 434, 435,
 &end
#
#    0 AMB  10-2:462     27 LYS  HN          6.00    (#    462:10  Single Ambig)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493, 376, 377,
 &end
#
#   28 GLU  HB+          27 LYS  HN          6.00    (#    463:10  Unique         4.69, 5.50 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 453, 454,
 &end
#
#   26 LEU  HA           27 LYS  HN          4.30    (#    465:10  Unique         3.62, 3.63 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   32 LYS  HG+          32 LYS  HN          4.30    (#    466:10  Unique         2.50, 3.27 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 527, 528,
 &end
#
#   30 LYS  HA           32 LYS  HN          6.00    (#    469:10  Unique         4.42, 4.47 A)
 &rst
  ixpk= 469, nxpk= 10, iat= 490, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HA           32 LYS  HN          4.30    (#    470:10  Unique         3.21, 3.31 A)
 &rst
  ixpk= 470, nxpk= 10, iat= 466, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   32 LYS  HG-          32 LYS  HN          6.00    (#    471:10  Unique         2.50, 3.27 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 527, 528,
 &end
#
#   30 LYS  HN           32 LYS  HN          6.00    (#    472:10  Unique         4.07, 4.11 A)
 &rst
  ixpk= 472, nxpk= 10, iat= 488, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:473     43 THR  HN          4.30    (#    473:10  Single Ambig)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 102, 103, 105, 106,
 &end
#
#   44 LEU  HA           43 THR  HN          6.00    (#    474:10  Unique         4.60, 4.74 A)
 &rst
  ixpk= 474, nxpk= 10, iat= 704, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  MGX          33 TRP  HN          4.30    (#    475:10  Unique         3.96, 5.73 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   32 LYS  HB+          33 TRP  HN          4.30    (#    476:10  Unique         2.81, 3.33 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 524, 525,
 &end
#
#   30 LYS  HA           33 TRP  HN          4.30    (#    477:10  Unique         3.78, 3.83 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 490, 542, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:478     33 TRP  HN          4.30    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 522, 583,
 &end
#
#   34 GLY  HA-          33 TRP  HN          6.00    (#    479:10  Unique         4.40, 4.74 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#   29 TRP  HA           33 TRP  HN          6.00    (#    480:10  Unique         3.60, 3.68 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 466, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA           43 THR  HN          4.30    (#    482:10  Unique         3.82, 3.86 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 117, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   42 ALA  HN           43 THR  HN          6.00    (#    483:10  Unique         4.63, 4.64 A)
 &rst
  ixpk= 483, nxpk= 10, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HD1          33 TRP  HN          6.00    (#    484:10  Unique         4.85, 4.97 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 550, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  MGX          39 GLU  HN          4.30    (#    488:10  Unique         3.60, 4.70 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  MB           39 GLU  HN          6.00    (#    489:10  Unique         5.08, 5.64 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   30 LYS  HG+          39 GLU  HN          4.30    (#    490:10  Unique         4.24, 5.06 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 495, 496,
 &end
#
#   30 LYS  HE-          39 GLU  HN          6.00    (#    491:10  Unique         3.80, 4.62 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#    0 AMB  10-2:492     40 SER  HN          6.00    (#    492:10  Single Ambig)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  MB           40 SER  HN          6.00    (#    493:10  Unique         5.27, 5.49 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#    0 AMB  10-2:494     40 SER  HN          4.30    (#    494:10  Single Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 635, 636, 635, 636,
 &end
#
#    0 AMB  10-2:497     40 SER  HN          4.30    (#    497:10  Single Ambig)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 612, 123, 132,
 &end
#
#   42 ALA  HN           40 SER  HN          4.30    (#    498:10  Unique         3.96, 4.02 A)
 &rst
  ixpk= 498, nxpk= 10, iat= 678, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   37 ALA  HN           40 SER  HN          6.00    (#    499:10  Unique         4.64, 4.70 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 602, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:500     18 THR  HN          6.00    (#    500:10  Single Ambig)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#   17 GLU  HG-          18 THR  HN          4.30    (#    501:10  Unique         3.88, 4.40 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 282, 283,
 &end
#
#   17 GLU  HG+          18 THR  HN          6.00    (#    502:10  Unique         3.88, 4.40 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283,
 &end
#
#   18 THR  HB           18 THR  HN          4.30    (#    503:10  Unique         3.48, 3.53 A)
 &rst
  ixpk= 503, nxpk= 10, iat= 294, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HE           18 THR  HN          6.00    (#    505:10  Unique         3.64, 6.03 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    7 TYR  HD           18 THR  HN          6.00    (#    506:10  Unique         3.76, 5.96 A)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#    0 AMB  10-2:507     18 THR  HN          4.30    (#    507:10  Single Ambig)
 &rst
  ixpk= 507, nxpk= 10, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   22 ASN  HB+          22 ASN  HD2+        4.30    (#    508:10  Unique         2.23, 3.23 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#   22 ASN  HB-          22 ASN  HD2-        4.30    (#    509:10  Unique         2.23, 3.23 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#   22 ASN  HB+          22 ASN  HD2-        6.00    (#    510:10  Unique         2.23, 3.23 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#    6 GLN  HB-           6 GLN  HE2+        4.30    (#    511:10  Unique         2.30, 3.50 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 102, 103,
 igr2= 110, 111,
 &end
#
#   17 GLU  HG-           6 GLN  HE2+        6.00    (#    512:10  Unique         3.04, 5.62 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 282, 283,
 igr2= 110, 111,
 &end
#
#    6 GLN  HB-           6 GLN  HE2-        4.30    (#    513:10  Unique         2.30, 3.50 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 102, 103,
 igr2= 110, 111,
 &end
#
#   12 THR  MG2          13 GLY  HN          4.30    (#    514:10  Unique         4.34, 4.93 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 210, 211, 212,
 &end
#
#    9 ASN  HB+          13 GLY  HN          4.30    (#    515:10  Unique         3.47, 4.55 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 162, 163,
 &end
#
#    0 AMB  10-2:516     13 GLY  HN          6.00    (#    516:10  Single Ambig)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 149, 150, 149, 150,
 &end
#
#   10 PRO  HA           13 GLY  HN          6.00    (#    517:10  Unique         3.04, 3.51 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 182, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HB           13 GLY  HN          6.00    (#    518:10  Unique         4.01, 4.08 A)
 &rst
  ixpk= 518, nxpk= 10, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HA           13 GLY  HN          4.30    (#    519:10  Unique         3.46, 3.49 A)
 &rst
  ixpk= 519, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 ASN  HN           13 GLY  HN          6.00    (#    520:10  Unique         4.31, 4.41 A)
 &rst
  ixpk= 520, nxpk= 10, iat= 158, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  MGX          34 GLY  HN          4.30    (#    521:10  Unique         3.91, 5.85 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  10-2:522     34 GLY  HN          6.00    (#    522:10  Single Ambig)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 524, 525, 495, 496,
 &end
#
#   37 ALA  MB           34 GLY  HN          6.00    (#    523:10  Unique         4.56, 5.69 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   31 ALA  MB           34 GLY  HN          6.00    (#    524:10  Unique         5.94, 6.18 A)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#   30 LYS  HB-          34 GLY  HN          6.00    (#    525:10  Unique         4.90, 5.32 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#   33 TRP  HB-          34 GLY  HN          4.30    (#    526:10  Unique         3.53, 3.94 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 546, 547,
 &end
#
#   33 TRP  HB+          34 GLY  HN          6.00    (#    527:10  Unique         3.53, 3.94 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#   35 PRO  HD+          34 GLY  HN          4.30    (#    528:10  Unique         3.72, 4.06 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 574, 575,
 &end
#
#   32 LYS  HA           34 GLY  HN          6.00    (#    529:10  Unique         4.59, 4.76 A)
 &rst
  ixpk= 529, nxpk= 10, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HA           34 GLY  HN          6.00    (#    530:10  Unique         4.26, 4.34 A)
 &rst
  ixpk= 530, nxpk= 10, iat= 512, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 GLY  HA+          20 GLY  HN          4.50    (#    532:10  Unique         2.54, 2.84 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 328, 329,
 &end
#
#    0 AMB  10-2:533     20 GLY  HN          4.30    (#    533:10  Single Ambig)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 328, 329,
 &end
#
#    0 AMB  10-2:535     46 GLY  HN          4.30    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
       735, 736, 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  10-2:536     21 GLY  HN          5.00    (#    536:10  Single Ambig)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 335, 336, 335, 336,
 &end
#
#   20 GLY  HA+          21 GLY  HN          5.00    (#    537:10  Unique         2.30, 2.81 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 328, 329,
 &end
#
#    9 ASN  HB+          12 THR  HN          6.00    (#    538:10  Unique         3.45, 4.25 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#   11 HIS  HB-          12 THR  HN          4.30    (#    539:10  Unique         2.91, 3.58 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#   11 HIS  HB+          12 THR  HN          6.00    (#    540:10  Unique         2.91, 3.58 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 190, 191,
 &end
#
#   13 GLY  HA-          12 THR  HN          6.00    (#    541:10  Unique         4.29, 4.57 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 220, 221,
 &end
#
#   11 HIS  HA           12 THR  HN          6.00    (#    542:10  Unique         3.47, 3.51 A)
 &rst
  ixpk= 542, nxpk= 10, iat= 188, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HB           12 THR  HN          6.00    (#    543:10  Unique         3.78, 3.79 A)
 &rst
  ixpk= 543, nxpk= 10, iat= 208, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HA           12 THR  HN          4.30    (#    544:10  Unique         3.00, 3.01 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:545     29 TRP  HE1         6.00    (#    545:10  Single Ambig)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 453, 454, 229, 230,
 &end
#
#   16 ILE  HN           15 VAL  HN          4.30    (#    548:10  Unique         4.36, 4.36 A)
 &rst
  ixpk= 548, nxpk= 10, iat= 256, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   14 GLU  HN           15 VAL  HN          6.00    (#    549:10  Unique         4.61, 4.64 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN           17 GLU  HN          4.30    (#    551:10  Unique         4.35, 4.36 A)
 &rst
  ixpk= 551, nxpk= 10, iat= 256, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    5 LYS  HB+          18 THR  HN          6.00    (#    552:10  Unique         3.89, 4.36 A)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#    0 AMB  10-2:555     23 HIS  HN          6.00    (#    555:10  Single Ambig)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 358, 359,
 &end
#
#   23 HIS  HB+          23 HIS  HN          6.00    (#    556:10  Unique         2.24, 2.66 A)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 358, 359,
 &end
#
#   23 HIS  HA           23 HIS  HN          6.00    (#    557:10  Unique         2.76, 2.90 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HB           27 LYS  HN          6.00    (#    559:10  Unique         5.11, 5.23 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 398, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  MB           28 GLU  HN          6.00    (#    560:10  Unique         5.06, 5.75 A)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#   36 GLU  HB-          36 GLU  HN          2.60    (#    562:10  Unique         2.30, 2.97 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#   37 ALA  HN           34 GLY  HN          6.00    (#    563:10  Unique         5.55, 5.68 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 602, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HG-          38 VAL  HN          4.30    (#    564:10  Unique         4.31, 5.06 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 495, 496,
 &end
#
#   30 LYS  HA           38 VAL  HN          6.00    (#    565:10  Unique         4.19, 4.23 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 490, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:566     38 VAL  HN          6.00    (#    566:10  Single Ambig)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 643, 566,
 &end
#
#   36 GLU  HN           38 VAL  HN          6.00    (#    567:10  Unique         4.22, 4.25 A)
 &rst
  ixpk= 567, nxpk= 10, iat= 587, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HG-           7 TYR  HN          6.00    (#    568:10  Unique         3.74, 4.18 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283,
 &end
#
#   12 THR  MG2          11 HIS  HN          4.30    (#    569:10  Unique         4.08, 5.32 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 210, 211, 212,
 &end
#
#   24 LYS  HG-          24 LYS  HN          6.00    (#    572:10  Unique         2.00, 3.81 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   28 GLU  HN           26 LEU  HN          6.00    (#    573:10  Unique         4.04, 4.11 A)
 &rst
  ixpk= 573, nxpk= 10, iat= 449, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:574     29 TRP  HN          6.00    (#    574:10  Single Ambig)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr1= 498, 499, 498, 499, 382, 383, 382, 383, 616, 437,
       438, 437, 438,
 &end
#
#   29 TRP  HN           30 LYS  HN          4.30    (#    575:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 575, nxpk= 10, iat= 464, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HD1          40 SER  HN          6.00    (#    576:10  Unique         4.80, 4.90 A)
 &rst
  ixpk= 576, nxpk= 10, iat= 662, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:577      2 ARG  HN          6.00    (#    577:10  Single Ambig)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  24,  25,  24,  25,
 &end
#
#    0 AMB  10-2:578      2 ARG  HN          6.00    (#    578:10  Single Ambig)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  51,  52,  51,  52,
 &end
#
#    0 AMB  10-2:579      3 LYS  HN          2.60    (#    579:10  Single Ambig)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=  16,  40,   6,
 &end
#
#    0 AMB  10-2:582      4 VAL  HN          6.00    (#    582:10  Single Ambig)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  51,  52,  51,  52,
 &end
#
#    0 AMB  10-2:583      4 VAL  HN          6.00    (#    583:10  Single Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 742, 743, 742, 743,
 &end
#
#    0 AMB  10-2:584      4 VAL  HN          2.60    (#    584:10  Single Ambig)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=  66,  67,  68,  70,  71,  72, 711, 712, 713, 715,
       716, 717, 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  10-2:587      0 AMB  10-1:587    6.00    (#    587:10  Double Ambig)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 100, 242,
 igr2= 110, 111, 110, 111,
 &end
#
#   16 ILE  MG2           7 TYR  HN          6.00    (#    589:10  Unique         5.78, 6.28 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#    0 AMB  10-2:590      8 LYS  HN          6.00    (#    590:10  Single Ambig)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 242, 100,
 &end
#
#   29 TRP  HZ2           9 ASN  HN          6.00    (#    591:10  Unique         4.99, 5.24 A)
 &rst
  ixpk= 591, nxpk= 10, iat= 477, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASN  HB-          13 GLY  HN          6.00    (#    592:10  Unique         3.47, 4.55 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#    9 ASN  HB+          14 GLU  HN          4.30    (#    593:10  Unique         2.81, 3.96 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 162, 163,
 &end
#
#   18 THR  HB           17 GLU  HN          6.00    (#    594:10  Unique         4.52, 4.75 A)
 &rst
  ixpk= 594, nxpk= 10, iat= 294, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 HIS  HA           25 THR  HN          6.00    (#    599:10  Unique         4.14, 4.33 A)
 &rst
  ixpk= 599, nxpk= 10, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 HIS  HA           26 LEU  HN          6.00    (#    600:10  Unique         4.65, 4.71 A)
 &rst
  ixpk= 600, nxpk= 10, iat= 356, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 LYS  HG-          26 LEU  HN          6.00    (#    602:10  Unique         4.24, 5.29 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 434, 435,
 &end
#
#   16 ILE  HB           26 LEU  HN          6.00    (#    603:10  Unique         5.57, 5.87 A)
 &rst
  ixpk= 603, nxpk= 10, iat= 260, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HE1          29 TRP  HN          6.00    (#    604:10  Unique         4.66, 4.73 A)
 &rst
  ixpk= 604, nxpk= 10, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HN           29 TRP  HE1         6.00    (#    605:10  Unique         4.66, 4.73 A)
 &rst
  ixpk= 605, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 LYS  HG-          33 TRP  HN          6.00    (#    606:10  Unique         4.61, 4.97 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 527, 528,
 &end
#
#   38 VAL  MGX          36 GLU  HN          6.00    (#    607:10  Unique         5.73, 7.19 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   36 GLU  HN           37 ALA  HN          2.60    (#    608:10  Unique         2.66, 2.67 A)
 &rst
  ixpk= 608, nxpk= 10, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:609     38 VAL  HN          6.00    (#    609:10  Single Ambig)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 591, 592, 577, 578,
 &end
#
#    7 TYR  HE           39 GLU  HN          6.00    (#    610:10  Unique         4.17, 6.41 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#   41 TRP  HE1          41 TRP  HN          6.00    (#    611:10  Unique         4.76, 4.82 A)
 &rst
  ixpk= 611, nxpk= 10, iat= 664, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HN           41 TRP  HE1         6.00    (#    612:10  Unique         4.76, 4.82 A)
 &rst
  ixpk= 612, nxpk= 10, iat= 654, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:614     45 LEU  HN          6.00    (#    614:10  Single Ambig)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 742, 743, 742, 743,
 &end
#
#    0 AMB  10-2:615     45 LEU  HN          4.30    (#    615:10  Single Ambig)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  42,  43,  80,  81,
 &end
#
#    0 AMB  10-2:617     36 GLU  HN          2.20    (#    617:10  Single Ambig)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 591, 592, 577, 578,
 &end
#
#    0 AMB  10-2:618     36 GLU  HN          4.30    (#    618:10  Single Ambig)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 594, 595, 580, 581,
 &end
#
#    0 AMB  20-2:831     26 LEU  MDX         5.50    (#    831:20  Single Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 335, 336, 335, 336, 328, 329,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   18 THR  MG2           0 AMB  20-1:607    5.50    (#    607:20  Single Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 296, 297, 298,
 igr2= 328, 329, 335, 336, 335, 336,
 &end
#
#   26 LEU  MDX           0 AMB  20-1:608    5.50    (#    608:20  Single Ambig)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 335, 336, 335, 336, 328, 329,
 &end
#
#    0 AMB  20-2:846     26 LEU  MDY         6.00    (#    846:20  Single Ambig)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 335, 336, 335, 336,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:2000   6.00    (#   2000:20  Single Ambi)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 335, 336, 335, 336,
 &end
#
#   19 LYS  HA           20 GLY  HN          6.00    (#    700:10)
 &rst
  ixpk= 700, nxpk= 10, iat= 306, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 LYS  HB+          20 GLY  HN          5.00    (#    701:10)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 308, 309,
 &end
#
#   19 LYS  HB-          20 GLY  HN          6.00    (#    702:10)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 308, 309,
 &end
#
#   18 THR  MG2          20 GLY  HN          6.00    (#    534:10  Unique)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 296, 297, 298,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA  79           H1       ALA  79   2.807   0.945  -1.704
    2    HA   ALA  79           HA       ALA  79   5.102   0.522  -2.328
    3    HB1  ALA  79           HB1      ALA  79   4.169   1.152  -5.167
    4    HB2  ALA  79           HB2      ALA  79   5.842   0.845  -4.649
    5    HB3  ALA  79           HB3      ALA  79   4.638  -0.447  -4.550
    6    H    ARG  80           H        ARG  80   6.419   2.099  -1.782
    7    HA   ARG  80           HA       ARG  80   7.308   4.123  -1.280
    8    HB2  ARG  80           HB2      ARG  80   6.492   4.740  -4.110
    9    HB3  ARG  80           HB3      ARG  80   7.763   5.523  -3.145
   10    HG2  ARG  80           HG2      ARG  80   8.871   3.323  -2.838
   11    HG3  ARG  80           HG3      ARG  80   7.734   2.591  -3.975
   12    HD2  ARG  80           HD2      ARG  80   9.622   4.901  -4.616
   13    HD3  ARG  80           HD3      ARG  80   9.913   3.196  -5.017
   14    HE   ARG  80           HE       ARG  80   7.408   3.824  -6.125
   15   HH11  ARG  80          HH11      ARG  80  10.712   4.840  -6.666
   16   HH12  ARG  80          HH12      ARG  80  10.424   5.225  -8.344
   17   HH21  ARG  80          HH21      ARG  80   7.095   4.353  -8.272
   18   HH22  ARG  80          HH22      ARG  80   8.432   4.933  -9.223
   19    H    LYS  81           H        LYS  81   4.503   4.071  -0.389
   20    HA   LYS  81           HA       LYS  81   3.572   6.878  -0.490
   21    HB2  LYS  81           HB2      LYS  81   2.756   4.382   1.027
   22    HB3  LYS  81           HB3      LYS  81   2.379   5.951   1.733
   23    HG2  LYS  81           HG2      LYS  81   0.493   5.158   0.460
   24    HG3  LYS  81           HG3      LYS  81   1.140   6.654  -0.220
   25    HD2  LYS  81           HD2      LYS  81   2.221   5.385  -2.054
   26    HD3  LYS  81           HD3      LYS  81   1.711   3.866  -1.303
   27    HE2  LYS  81           HE2      LYS  81   0.222   4.284  -3.113
   28    HE3  LYS  81           HE3      LYS  81  -0.680   4.522  -1.617
   29    HZ1  LYS  81           HZ1      LYS  81   0.453   6.717  -3.299
   30    HZ2  LYS  81           HZ2      LYS  81  -1.120   6.288  -3.251
   31    HZ3  LYS  81           HZ3      LYS  81  -0.427   6.950  -1.935
   32    H    VAL  82           H        VAL  82   3.557   8.293   1.235
   33    HA   VAL  82           HA       VAL  82   6.198   8.634   2.424
   34    HB   VAL  82           HB       VAL  82   3.633  10.235   2.751
   35   HG11  VAL  82          HG11      VAL  82   4.988  10.708   4.720
   36   HG12  VAL  82          HG12      VAL  82   6.461  10.871   3.727
   37   HG13  VAL  82          HG13      VAL  82   5.150  12.058   3.604
   38   HG21  VAL  82          HG21      VAL  82   6.186  10.790   1.163
   39   HG22  VAL  82          HG22      VAL  82   4.631  10.280   0.462
   40   HG23  VAL  82          HG23      VAL  82   4.763  11.850   1.264
   41    H    LYS  83           H        LYS  83   6.901   8.140   4.379
   42    HA   LYS  83           HA       LYS  83   5.007   7.319   6.558
   43    HB2  LYS  83           HB2      LYS  83   7.932   6.659   6.029
   44    HB3  LYS  83           HB3      LYS  83   7.215   6.561   7.650
   45    HG2  LYS  83           HG2      LYS  83   5.512   4.986   6.846
   46    HG3  LYS  83           HG3      LYS  83   6.254   4.995   5.229
   47    HD2  LYS  83           HD2      LYS  83   8.315   4.053   6.092
   48    HD3  LYS  83           HD3      LYS  83   7.781   4.261   7.771
   49    HE2  LYS  83           HE2      LYS  83   5.986   2.635   7.477
   50    HE3  LYS  83           HE3      LYS  83   6.389   2.440   5.764
   51    HZ1  LYS  83           HZ1      LYS  83   8.266   1.785   8.007
   52    HZ2  LYS  83           HZ2      LYS  83   7.377   0.674   7.190
   53    HZ3  LYS  83           HZ3      LYS  83   8.542   1.523   6.417
   54    H    GLN  84           H        GLN  84   4.598   8.840   7.908
   55    HA   GLN  84           HA       GLN  84   6.418  11.129   8.457
   56    HB2  GLN  84           HB2      GLN  84   4.068  11.660   8.200
   57    HB3  GLN  84           HB3      GLN  84   3.590  10.333   9.245
   58    HG2  GLN  84           HG2      GLN  84   4.650  11.522  11.192
   59    HG3  GLN  84           HG3      GLN  84   5.031  12.873  10.112
   60   HE21  GLN  84          HE22      GLN  84   2.193  10.789  11.065
   61   HE22  GLN  84          HE21      GLN  84   1.070  12.148  11.126
   62    H    TYR  85           H        TYR  85   7.500  11.271  10.418
   63    HA   TYR  85           HA       TYR  85   7.115   9.118  12.463
   64    HB2  TYR  85           HB2      TYR  85   9.803  10.154  11.484
   65    HB3  TYR  85           HB3      TYR  85   9.561   9.085  12.840
   66    HD1  TYR  85           HD1      TYR  85   9.276   9.307   9.109
   67    HD2  TYR  85           HD2      TYR  85   9.543   6.743  12.562
   68    HE1  TYR  85           HE1      TYR  85   9.801   7.371   7.636
   69    HE2  TYR  85           HE2      TYR  85  10.086   4.809  11.093
   70    HH   TYR  85           HH       TYR  85  10.619   4.135   8.950
   71    H    LYS  86           H        LYS  86   7.583   9.813  14.593
   72    HA   LYS  86           HA       LYS  86   8.192  12.698  15.059
   73    HB2  LYS  86           HB2      LYS  86   5.749  12.383  15.180
   74    HB3  LYS  86           HB3      LYS  86   5.958  11.058  16.340
   75    HG2  LYS  86           HG2      LYS  86   6.829  12.579  18.032
   76    HG3  LYS  86           HG3      LYS  86   6.858  13.917  16.874
   77    HD2  LYS  86           HD2      LYS  86   4.383  13.794  16.670
   78    HD3  LYS  86           HD3      LYS  86   4.358  12.454  17.832
   79    HE2  LYS  86           HE2      LYS  86   5.402  13.946  19.549
   80    HE3  LYS  86           HE3      LYS  86   5.406  15.276  18.386
   81    HZ1  LYS  86           HZ1      LYS  86   2.960  15.146  18.327
   82    HZ2  LYS  86           HZ2      LYS  86   2.955  13.916  19.405
   83    HZ3  LYS  86           HZ3      LYS  86   3.470  15.399  19.852
   84    H    ASN  87           H        ASN  87   9.472  13.072  16.841
   85    HA   ASN  87           HA       ASN  87  10.431  10.643  18.348
   86    HB2  ASN  87           HB2      ASN  87  12.051  11.577  16.767
   87    HB3  ASN  87           HB3      ASN  87  12.046  13.104  17.646
   88   HD21  ASN  87          HD22      ASN  87  14.425  11.781  17.338
   89   HD22  ASN  87          HD21      ASN  87  14.895  11.032  18.859
   90    HA   PRO  88           HA       PRO  88   8.273  12.972  21.693
   91    HB2  PRO  88           HB2      PRO  88   9.115  10.352  22.957
   92    HB3  PRO  88           HB3      PRO  88   7.615  11.297  23.224
   93    HG2  PRO  88           HG2      PRO  88   7.586   9.155  21.574
   94    HG3  PRO  88           HG3      PRO  88   6.746  10.672  21.095
   95    HD2  PRO  88           HD2      PRO  88   9.417   9.625  20.173
   96    HD3  PRO  88           HD3      PRO  88   8.124  10.455  19.247
   97    H    HIS  89           H        HIS  89  11.538  11.597  21.640
   98    HA   HIS  89           HA       HIS  89  12.416  12.685  24.182
   99    HB2  HIS  89           HB2      HIS  89  14.121  11.845  21.796
  100    HB3  HIS  89           HB3      HIS  89  14.637  11.989  23.471
  101    HD1  HIS  89           HD1      HIS  89  12.958   9.579  21.116
  102    HD2  HIS  89           HD2      HIS  89  13.550  10.142  25.261
  103    HE1  HIS  89           HE1      HIS  89  12.311   7.336  22.274
  104    HE2  HIS  89           HE2      HIS  89  12.694   7.696  24.792
  105    H    THR  90           H        THR  90  12.178  14.084  20.984
  106    HA   THR  90           HA       THR  90  13.603  16.566  21.897
  107    HB   THR  90           HB       THR  90  14.355  16.839  19.609
  108    HG1  THR  90           HG1      THR  90  13.867  15.248  18.082
  109   HG21  THR  90          HG21      THR  90  15.878  14.966  19.368
  110   HG22  THR  90          HG22      THR  90  15.720  15.322  21.101
  111   HG23  THR  90          HG23      THR  90  14.856  13.935  20.388
  112    H    GLY  91           H        GLY  91  10.695  15.297  20.426
  113    HA2  GLY  91           HA2      GLY  91   8.641  16.430  20.250
  114    HA3  GLY  91           HA3      GLY  91   9.466  17.993  20.298
  115    H    GLU  92           H        GLU  92  11.313  16.309  18.140
  116    HA   GLU  92           HA       GLU  92  10.311  17.712  15.869
  117    HB2  GLU  92           HB2      GLU  92  12.495  15.737  16.430
  118    HB3  GLU  92           HB3      GLU  92  11.934  15.833  14.759
  119    HG2  GLU  92           HG2      GLU  92  12.273  18.072  14.549
  120    HG3  GLU  92           HG3      GLU  92  12.636  18.303  16.288
  121    H    VAL  93           H        VAL  93   9.431  17.103  13.976
  122    HA   VAL  93           HA       VAL  93   8.406  14.352  13.551
  123    HB   VAL  93           HB       VAL  93   7.096  16.971  12.782
  124   HG11  VAL  93          HG11      VAL  93   6.529  15.153  11.196
  125   HG12  VAL  93          HG12      VAL  93   6.064  14.104  12.555
  126   HG13  VAL  93          HG13      VAL  93   5.128  15.566  12.181
  127   HG21  VAL  93          HG21      VAL  93   6.916  16.716  15.159
  128   HG22  VAL  93          HG22      VAL  93   5.332  16.448  14.414
  129   HG23  VAL  93          HG23      VAL  93   6.294  15.054  14.975
  130    H    ILE  94           H        ILE  94   8.668  13.608  11.477
  131    HA   ILE  94           HA       ILE  94   9.767  15.319   9.334
  132    HB   ILE  94           HB       ILE  94  11.510  13.640   8.803
  133   HG12  ILE  94          HG12      ILE  94  10.841  12.411  11.506
  134   HG13  ILE  94          HG13      ILE  94  10.532  11.689   9.924
  135   HG21  ILE  94          HG21      ILE  94  12.004  15.725  10.051
  136   HG22  ILE  94          HG22      ILE  94  11.908  14.814  11.575
  137   HG23  ILE  94          HG23      ILE  94  13.149  14.426  10.376
  138   HD11  ILE  94          HD11      ILE  94  12.481  10.661  10.892
  139   HD12  ILE  94          HD12      ILE  94  12.968  11.617   9.480
  140   HD13  ILE  94          HD13      ILE  94  13.271  12.224  11.132
  141    H    GLU  95           H        GLU  95   9.772  14.243   7.301
  142    HA   GLU  95           HA       GLU  95   7.958  11.912   6.903
  143    HB2  GLU  95           HB2      GLU  95   7.737  14.676   5.636
  144    HB3  GLU  95           HB3      GLU  95   7.028  13.239   4.897
  145    HG2  GLU  95           HG2      GLU  95   5.531  12.893   6.735
  146    HG3  GLU  95           HG3      GLU  95   6.331  14.123   7.719
  147    H    THR  96           H        THR  96   8.615  10.534   5.394
  148    HA   THR  96           HA       THR  96  10.343  11.318   3.128
  149    HB   THR  96           HB       THR  96  12.067  10.876   4.688
  150    HG1  THR  96           HG1      THR  96  13.042   9.139   3.706
  151   HG21  THR  96          HG21      THR  96  12.287   8.775   5.964
  152   HG22  THR  96          HG22      THR  96  10.866   9.692   6.489
  153   HG23  THR  96          HG23      THR  96  10.665   8.270   5.433
  154    H    LYS  97           H        LYS  97  10.455   9.612   1.480
  155    HA   LYS  97           HA       LYS  97   8.098   7.773   1.459
  156    HB2  LYS  97           HB2      LYS  97  10.196   8.436  -0.653
  157    HB3  LYS  97           HB3      LYS  97   8.871   7.283  -0.869
  158    HG2  LYS  97           HG2      LYS  97   7.220   9.085  -0.395
  159    HG3  LYS  97           HG3      LYS  97   8.550  10.257  -0.308
  160    HD2  LYS  97           HD2      LYS  97   9.181   9.673  -2.671
  161    HD3  LYS  97           HD3      LYS  97   7.858   8.507  -2.709
  162    HE2  LYS  97           HE2      LYS  97   7.035  10.395  -3.844
  163    HE3  LYS  97           HE3      LYS  97   6.231  10.389  -2.278
  164    HZ1  LYS  97           HZ1      LYS  97   7.814  12.129  -1.550
  165    HZ2  LYS  97           HZ2      LYS  97   8.580  12.084  -3.002
  166    HZ3  LYS  97           HZ3      LYS  97   7.043  12.611  -2.903
  167    H    GLY  98           H        GLY  98  11.165   7.571   2.724
  168    HA2  GLY  98           HA2      GLY  98  11.685   5.472   3.880
  169    HA3  GLY  98           HA3      GLY  98  11.254   4.576   2.426
  170    H    GLY  99           H        GLY  99  12.994   7.341   1.510
  171    HA2  GLY  99           HA2      GLY  99  15.365   5.839   0.750
  172    HA3  GLY  99           HA3      GLY  99  15.065   7.552   0.493
  173    H    ASN 100           H        ASN 100  17.526   7.132   1.034
  174    HA   ASN 100           HA       ASN 100  18.359   6.950   3.773
  175    HB2  ASN 100           HB2      ASN 100  19.797   6.396   1.847
  176    HB3  ASN 100           HB3      ASN 100  19.768   8.083   1.326
  177   HD21  ASN 100          HD22      ASN 100  22.110   8.142   1.499
  178   HD22  ASN 100          HD21      ASN 100  22.860   8.250   3.082
  179    H    HIS 101           H        HIS 101  16.932   8.376   4.872
  180    HA   HIS 101           HA       HIS 101  17.402  11.316   4.589
  181    HB2  HIS 101           HB2      HIS 101  15.111  10.366   4.306
  182    HB3  HIS 101           HB3      HIS 101  15.139   9.807   5.974
  183    HD1  HIS 101           HD1      HIS 101  14.833  11.751   7.850
  184    HD2  HIS 101           HD2      HIS 101  14.792  12.986   3.826
  185    HE1  HIS 101           HE1      HIS 101  14.213  14.267   7.883
  186    HE2  HIS 101           HE2      HIS 101  14.116  14.981   5.399
  187    H    LYS 102           H        LYS 102  19.265  11.618   5.716
  188    HA   LYS 102           HA       LYS 102  20.479  10.339   7.733
  189    HB2  LYS 102           HB2      LYS 102  21.304  12.320   6.433
  190    HB3  LYS 102           HB3      LYS 102  20.350  13.378   7.449
  191    HG2  LYS 102           HG2      LYS 102  22.610  13.510   8.152
  192    HG3  LYS 102           HG3      LYS 102  21.725  12.691   9.434
  193    HD2  LYS 102           HD2      LYS 102  22.683  10.530   8.807
  194    HD3  LYS 102           HD3      LYS 102  23.267  11.192   7.274
  195    HE2  LYS 102           HE2      LYS 102  25.198  11.075   8.592
  196    HE3  LYS 102           HE3      LYS 102  24.748  12.775   8.565
  197    HZ1  LYS 102           HZ1      LYS 102  25.328  12.138  10.801
  198    HZ2  LYS 102           HZ2      LYS 102  23.715  12.413  10.829
  199    HZ3  LYS 102           HZ3      LYS 102  24.299  10.874  10.812
  200    H    THR 103           H        THR 103  18.147  12.940   8.564
  201    HA   THR 103           HA       THR 103  18.344  12.732  11.357
  202    HB   THR 103           HB       THR 103  15.830  13.381   9.757
  203    HG1  THR 103           HG1      THR 103  16.691  15.522   9.828
  204   HG21  THR 103          HG21      THR 103  16.747  14.390  12.483
  205   HG22  THR 103          HG22      THR 103  15.316  14.947  11.576
  206   HG23  THR 103          HG23      THR 103  15.382  13.290  12.181
  207    H    LEU 104           H        LEU 104  16.441  10.649   9.191
  208    HA   LEU 104           HA       LEU 104  14.968   9.315  11.381
  209    HB2  LEU 104           HB2      LEU 104  13.972   9.416   9.111
  210    HB3  LEU 104           HB3      LEU 104  15.404   8.641   8.422
  211    HG   LEU 104           HG       LEU 104  14.905   6.584   9.720
  212   HD11  LEU 104          HD11      LEU 104  12.724   6.254  10.736
  213   HD12  LEU 104          HD12      LEU 104  13.592   7.548  11.572
  214   HD13  LEU 104          HD13      LEU 104  12.286   7.950  10.428
  215   HD21  LEU 104          HD21      LEU 104  13.050   5.826   8.361
  216   HD22  LEU 104          HD22      LEU 104  12.582   7.502   7.999
  217   HD23  LEU 104          HD23      LEU 104  14.123   6.847   7.385
  218    H    LYS 105           H        LYS 105  17.789   8.617   9.227
  219    HA   LYS 105           HA       LYS 105  18.466   6.110  10.296
  220    HB2  LYS 105           HB2      LYS 105  19.414   7.394   8.254
  221    HB3  LYS 105           HB3      LYS 105  20.535   8.149   9.427
  222    HG2  LYS 105           HG2      LYS 105  21.358   5.906  10.066
  223    HG3  LYS 105           HG3      LYS 105  20.204   5.156   8.944
  224    HD2  LYS 105           HD2      LYS 105  21.316   6.304   7.035
  225    HD3  LYS 105           HD3      LYS 105  22.486   7.031   8.158
  226    HE2  LYS 105           HE2      LYS 105  23.223   4.751   8.853
  227    HE3  LYS 105           HE3      LYS 105  22.056   4.031   7.745
  228    HZ1  LYS 105           HZ1      LYS 105  24.271   4.130   6.745
  229    HZ2  LYS 105           HZ2      LYS 105  23.264   5.080   5.889
  230    HZ3  LYS 105           HZ3      LYS 105  24.346   5.751   6.913
  231    H    GLU 106           H        GLU 106  19.529   9.332  11.372
  232    HA   GLU 106           HA       GLU 106  21.099   8.445  13.528
  233    HB2  GLU 106           HB2      GLU 106  19.636  11.019  12.884
  234    HB3  GLU 106           HB3      GLU 106  20.284  10.791  14.513
  235    HG2  GLU 106           HG2      GLU 106  22.501  10.224  13.549
  236    HG3  GLU 106           HG3      GLU 106  21.849  10.546  11.930
  237    H    TRP 107           H        TRP 107  17.598   9.167  13.485
  238    HA   TRP 107           HA       TRP 107  17.195   8.595  16.265
  239    HB2  TRP 107           HB2      TRP 107  15.255   8.430  13.935
  240    HB3  TRP 107           HB3      TRP 107  14.800   8.298  15.621
  241    HD1  TRP 107           HD1      TRP 107  17.285  10.934  15.670
  242    HE1  TRP 107           HE1      TRP 107  16.276  13.268  15.503
  243    HE3  TRP 107           HE3      TRP 107  12.562   9.688  14.072
  244    HZ2  TRP 107           HZ2      TRP 107  13.819  14.459  14.718
  245    HZ3  TRP 107           HZ3      TRP 107  10.888  11.480  13.660
  246    HH2  TRP 107           HH2      TRP 107  11.516  13.886  13.954
  247    H    LYS 108           H        LYS 108  17.040   6.456  13.399
  248    HA   LYS 108           HA       LYS 108  16.250   4.052  14.837
  249    HB2  LYS 108           HB2      LYS 108  17.760   4.405  12.198
  250    HB3  LYS 108           HB3      LYS 108  17.107   2.853  12.820
  251    HG2  LYS 108           HG2      LYS 108  14.819   3.855  12.856
  252    HG3  LYS 108           HG3      LYS 108  15.454   5.349  12.237
  253    HD2  LYS 108           HD2      LYS 108  14.561   4.509  10.355
  254    HD3  LYS 108           HD3      LYS 108  16.211   3.898  10.164
  255    HE2  LYS 108           HE2      LYS 108  15.507   1.692  10.849
  256    HE3  LYS 108           HE3      LYS 108  13.947   2.319  11.460
  257    HZ1  LYS 108           HZ1      LYS 108  13.144   2.636   9.285
  258    HZ2  LYS 108           HZ2      LYS 108  14.640   2.455   8.571
  259    HZ3  LYS 108           HZ3      LYS 108  13.867   1.176   9.218
  260    H    ALA 109           H        ALA 109  19.415   5.463  14.115
  261    HA   ALA 109           HA       ALA 109  20.955   3.329  15.295
  262    HB1  ALA 109           HB1      ALA 109  21.858   4.942  13.666
  263    HB2  ALA 109           HB2      ALA 109  21.643   6.263  14.839
  264    HB3  ALA 109           HB3      ALA 109  22.799   4.955  15.170
  265    H    LYS 110           H        LYS 110  19.608   6.334  16.622
  266    HA   LYS 110           HA       LYS 110  20.932   5.891  19.236
  267    HB2  LYS 110           HB2      LYS 110  19.462   8.263  18.045
  268    HB3  LYS 110           HB3      LYS 110  20.012   8.214  19.723
  269    HG2  LYS 110           HG2      LYS 110  22.318   7.741  19.010
  270    HG3  LYS 110           HG3      LYS 110  21.848   7.803  17.315
  271    HD2  LYS 110           HD2      LYS 110  21.452  10.179  19.182
  272    HD3  LYS 110           HD3      LYS 110  22.994   9.847  18.390
  273    HE2  LYS 110           HE2      LYS 110  21.860   9.879  16.162
  274    HE3  LYS 110           HE3      LYS 110  20.348  10.345  16.961
  275    HZ1  LYS 110           HZ1      LYS 110  21.727  12.265  16.056
  276    HZ2  LYS 110           HZ2      LYS 110  21.393  12.413  17.665
  277    HZ3  LYS 110           HZ3      LYS 110  22.871  11.935  17.163
  278    H    TRP 111           H        TRP 111  17.674   5.420  18.115
  279    HA   TRP 111           HA       TRP 111  16.963   4.598  20.918
  280    HB2  TRP 111           HB2      TRP 111  15.246   6.050  18.884
  281    HB3  TRP 111           HB3      TRP 111  14.613   5.279  20.333
  282    HD1  TRP 111           HD1      TRP 111  15.490   6.203  22.730
  283    HE1  TRP 111           HE1      TRP 111  16.220   8.543  23.489
  284    HE3  TRP 111           HE3      TRP 111  16.306   8.298  18.159
  285    HZ2  TRP 111           HZ2      TRP 111  17.121  11.000  22.258
  286    HZ3  TRP 111           HZ3      TRP 111  17.179  10.634  17.970
  287    HH2  TRP 111           HH2      TRP 111  17.573  11.991  20.010
  288    H    GLY 112           H        GLY 112  17.457   3.355  17.854
  289    HA2  GLY 112           HA2      GLY 112  17.428   1.027  17.506
  290    HA3  GLY 112           HA3      GLY 112  16.050   0.824  18.573
  291    HA   PRO 113           HA       PRO 113  14.897   1.941  13.975
  292    HB2  PRO 113           HB2      PRO 113  15.063  -0.499  12.603
  293    HB3  PRO 113           HB3      PRO 113  16.277   0.808  12.573
  294    HG2  PRO 113           HG2      PRO 113  16.264  -1.677  14.257
  295    HG3  PRO 113           HG3      PRO 113  17.637  -0.868  13.392
  296    HD2  PRO 113           HD2      PRO 113  17.245  -0.613  16.057
  297    HD3  PRO 113           HD3      PRO 113  17.848   0.743  15.048
  298    H    GLU 114           H        GLU 114  14.179  -1.068  15.806
  299    HA   GLU 114           HA       GLU 114  11.580  -1.470  14.688
  300    HB2  GLU 114           HB2      GLU 114  12.823  -2.340  17.331
  301    HB3  GLU 114           HB3      GLU 114  11.242  -2.892  16.749
  302    HG2  GLU 114           HG2      GLU 114  12.311  -3.823  14.708
  303    HG3  GLU 114           HG3      GLU 114  13.896  -3.332  15.316
  304    H    ALA 115           H        ALA 115  12.713   0.323  17.523
  305    HA   ALA 115           HA       ALA 115  10.113   1.132  18.514
  306    HB1  ALA 115           HB1      ALA 115  12.872   2.406  18.806
  307    HB2  ALA 115           HB2      ALA 115  11.437   2.838  19.754
  308    HB3  ALA 115           HB3      ALA 115  12.146   1.210  19.896
  309    H    VAL 116           H        VAL 116  12.525   2.742  16.395
  310    HA   VAL 116           HA       VAL 116  10.950   5.071  15.884
  311    HB   VAL 116           HB       VAL 116  13.212   3.808  14.326
  312   HG11  VAL 116          HG11      VAL 116  13.547   6.113  13.375
  313   HG12  VAL 116          HG12      VAL 116  12.058   5.346  12.812
  314   HG13  VAL 116          HG13      VAL 116  11.989   6.595  14.077
  315   HG21  VAL 116          HG21      VAL 116  13.152   6.136  16.287
  316   HG22  VAL 116          HG22      VAL 116  13.794   4.545  16.662
  317   HG23  VAL 116          HG23      VAL 116  14.569   5.526  15.431
  318    H    GLU 117           H        GLU 117  11.076   1.953  14.018
  319    HA   GLU 117           HA       GLU 117   9.208   2.933  12.026
  320    HB2  GLU 117           HB2      GLU 117   9.980   0.126  12.916
  321    HB3  GLU 117           HB3      GLU 117   8.798   0.438  11.654
  322    HG2  GLU 117           HG2      GLU 117  11.724   1.272  11.592
  323    HG3  GLU 117           HG3      GLU 117  10.977  -0.030  10.673
  324    H    SER 118           H        SER 118   8.782   1.698  15.318
  325    HA   SER 118           HA       SER 118   5.901   1.391  15.105
  326    HB2  SER 118           HB2      SER 118   7.209   0.306  16.813
  327    HB3  SER 118           HB3      SER 118   7.501   1.878  17.607
  328    HG   SER 118           HG       SER 118   5.680   0.723  18.480
  329    H    TRP 119           H        TRP 119   8.067   4.182  15.620
  330    HA   TRP 119           HA       TRP 119   5.954   6.073  16.280
  331    HB2  TRP 119           HB2      TRP 119   8.595   6.727  14.953
  332    HB3  TRP 119           HB3      TRP 119   7.544   7.795  15.846
  333    HD1  TRP 119           HD1      TRP 119   7.492   5.349  18.284
  334    HE1  TRP 119           HE1      TRP 119   9.415   5.470  19.963
  335    HE3  TRP 119           HE3      TRP 119  10.730   8.376  15.646
  336    HZ2  TRP 119           HZ2      TRP 119  12.068   6.556  20.084
  337    HZ3  TRP 119           HZ3      TRP 119  12.874   9.055  16.667
  338    HH2  TRP 119           HH2      TRP 119  13.585   8.133  18.858
  339    H    ALA 120           H        ALA 120   6.862   4.501  13.316
  340    HA   ALA 120           HA       ALA 120   6.365   6.621  11.510
  341    HB1  ALA 120           HB1      ALA 120   7.621   4.466  11.035
  342    HB2  ALA 120           HB2      ALA 120   6.043   3.680  10.840
  343    HB3  ALA 120           HB3      ALA 120   6.508   5.012   9.764
  344    H    THR 121           H        THR 121   4.633   7.207  10.256
  345    HA   THR 121           HA       THR 121   2.062   5.695  10.326
  346    HB   THR 121           HB       THR 121   0.984   8.075  10.207
  347    HG1  THR 121           HG1      THR 121   3.326   8.640  11.722
  348   HG21  THR 121          HG21      THR 121   0.664   8.167  12.631
  349   HG22  THR 121          HG22      THR 121   0.539   6.503  12.033
  350   HG23  THR 121          HG23      THR 121   2.016   7.038  12.873
  351    H    LEU 122           H        LEU 122   1.451   5.176   8.435
  352    HA   LEU 122           HA       LEU 122   2.655   6.279   6.006
  353    HB2  LEU 122           HB2      LEU 122   0.580   4.174   6.704
  354    HB3  LEU 122           HB3      LEU 122   0.907   4.598   5.019
  355    HG   LEU 122           HG       LEU 122   3.117   3.698   6.916
  356   HD11  LEU 122          HD11      LEU 122   1.448   1.995   5.007
  357   HD12  LEU 122          HD12      LEU 122   2.894   1.454   5.890
  358   HD13  LEU 122          HD13      LEU 122   1.429   1.904   6.781
  359   HD21  LEU 122          HD21      LEU 122   2.865   3.706   3.865
  360   HD22  LEU 122          HD22      LEU 122   3.829   4.852   4.808
  361   HD23  LEU 122          HD23      LEU 122   4.271   3.138   4.787
  362    H    LEU 123           H        LEU 123   1.974   8.094   5.032
  363    HA   LEU 123           HA       LEU 123  -0.591   9.316   5.762
  364    HB2  LEU 123           HB2      LEU 123   1.556  10.278   3.830
  365    HB3  LEU 123           HB3      LEU 123   0.208  11.219   4.460
  366    HG   LEU 123           HG       LEU 123   2.651  10.230   5.983
  367   HD11  LEU 123          HD11      LEU 123   1.495  13.006   5.498
  368   HD12  LEU 123          HD12      LEU 123   3.003  12.622   6.350
  369   HD13  LEU 123          HD13      LEU 123   2.856  12.294   4.618
  370   HD21  LEU 123          HD21      LEU 123   0.789   9.956   7.542
  371   HD22  LEU 123          HD22      LEU 123   1.657  11.428   7.963
  372   HD23  LEU 123          HD23      LEU 123   0.118  11.540   7.083
  373    H    GLY 124           H        GLY 124  -1.309   7.056   4.675
  374    HA2  GLY 124           HA2      GLY 124  -2.837   7.692   2.254
  375    HA3  GLY 124           HA3      GLY 124  -1.524   6.535   1.989
  376    H    HIS 125           H        HIS 125  -3.881   7.029   4.659
  377    HA   HIS 125           HA       HIS 125  -5.002   4.315   4.277
  378    HB2  HIS 125           HB2      HIS 125  -4.678   3.635   6.505
  379    HB3  HIS 125           HB3      HIS 125  -3.103   4.178   5.941
  380    HD1  HIS 125           HD1      HIS 125  -2.082   6.356   7.250
  381    HD2  HIS 125           HD2      HIS 125  -5.944   5.075   8.390
  382    HE1  HIS 125           HE1      HIS 125  -2.663   7.626   9.415
  383    HE2  HIS 125           HE2      HIS 125  -5.015   6.829  10.111
  Start of MODEL    2
    1    H    ALA  79           H1       ALA  79   1.930   0.578   0.099
    2    HA   ALA  79           HA       ALA  79   4.595   0.570  -1.193
    3    HB1  ALA  79           HB1      ALA  79   1.896  -0.211  -2.398
    4    HB2  ALA  79           HB2      ALA  79   3.449  -0.129  -3.255
    5    HB3  ALA  79           HB3      ALA  79   3.214  -1.328  -1.979
    6    H    ARG  80           H        ARG  80   5.208   2.338  -2.222
    7    HA   ARG  80           HA       ARG  80   5.301   4.452  -3.075
    8    HB2  ARG  80           HB2      ARG  80   2.761   3.550  -4.374
    9    HB3  ARG  80           HB3      ARG  80   3.833   4.885  -4.876
   10    HG2  ARG  80           HG2      ARG  80   5.749   3.271  -4.998
   11    HG3  ARG  80           HG3      ARG  80   4.624   1.947  -4.659
   12    HD2  ARG  80           HD2      ARG  80   4.912   1.997  -7.016
   13    HD3  ARG  80           HD3      ARG  80   3.297   2.602  -6.651
   14    HE   ARG  80           HE       ARG  80   3.851   4.694  -7.476
   15   HH11  ARG  80          HH11      ARG  80   6.844   2.861  -7.309
   16   HH12  ARG  80          HH12      ARG  80   7.724   4.055  -8.225
   17   HH21  ARG  80          HH21      ARG  80   5.035   6.164  -8.621
   18   HH22  ARG  80          HH22      ARG  80   6.719   5.881  -8.945
   19    H    LYS  81           H        LYS  81   4.332   4.624  -0.447
   20    HA   LYS  81           HA       LYS  81   2.921   7.265  -0.541
   21    HB2  LYS  81           HB2      LYS  81   2.177   4.843   1.164
   22    HB3  LYS  81           HB3      LYS  81   1.706   6.493   1.601
   23    HG2  LYS  81           HG2      LYS  81   0.528   6.743  -0.575
   24    HG3  LYS  81           HG3      LYS  81   0.938   5.064  -0.976
   25    HD2  LYS  81           HD2      LYS  81  -0.314   4.269   1.010
   26    HD3  LYS  81           HD3      LYS  81  -0.737   5.946   1.418
   27    HE2  LYS  81           HE2      LYS  81  -1.885   6.196  -0.774
   28    HE3  LYS  81           HE3      LYS  81  -1.462   4.528  -1.187
   29    HZ1  LYS  81           HZ1      LYS  81  -3.727   4.670  -0.321
   30    HZ2  LYS  81           HZ2      LYS  81  -2.822   3.781   0.704
   31    HZ3  LYS  81           HZ3      LYS  81  -3.226   5.323   1.084
   32    H    VAL  82           H        VAL  82   3.209   8.581   1.215
   33    HA   VAL  82           HA       VAL  82   5.928   8.672   2.262
   34    HB   VAL  82           HB       VAL  82   3.445  10.386   2.633
   35   HG11  VAL  82          HG11      VAL  82   4.667  10.745   4.698
   36   HG12  VAL  82          HG12      VAL  82   6.209  10.920   3.806
   37   HG13  VAL  82          HG13      VAL  82   4.929  12.129   3.641
   38   HG21  VAL  82          HG21      VAL  82   4.687  11.991   1.257
   39   HG22  VAL  82          HG22      VAL  82   6.094  10.910   1.220
   40   HG23  VAL  82          HG23      VAL  82   4.578  10.443   0.409
   41    H    LYS  83           H        LYS  83   6.662   8.346   4.296
   42    HA   LYS  83           HA       LYS  83   4.753   7.531   6.464
   43    HB2  LYS  83           HB2      LYS  83   7.588   6.585   5.891
   44    HB3  LYS  83           HB3      LYS  83   6.872   6.512   7.515
   45    HG2  LYS  83           HG2      LYS  83   5.013   5.153   6.696
   46    HG3  LYS  83           HG3      LYS  83   5.693   5.168   5.054
   47    HD2  LYS  83           HD2      LYS  83   7.638   3.925   5.746
   48    HD3  LYS  83           HD3      LYS  83   7.260   4.145   7.469
   49    HE2  LYS  83           HE2      LYS  83   5.240   2.785   7.270
   50    HE3  LYS  83           HE3      LYS  83   5.490   2.599   5.525
   51    HZ1  LYS  83           HZ1      LYS  83   7.346   1.560   7.623
   52    HZ2  LYS  83           HZ2      LYS  83   6.310   0.651   6.743
   53    HZ3  LYS  83           HZ3      LYS  83   7.561   1.387   6.008
   54    H    GLN  84           H        GLN  84   4.506   8.984   7.878
   55    HA   GLN  84           HA       GLN  84   6.426  11.173   8.435
   56    HB2  GLN  84           HB2      GLN  84   4.082  11.742   8.322
   57    HB3  GLN  84           HB3      GLN  84   3.631  10.405   9.360
   58    HG2  GLN  84           HG2      GLN  84   4.791  11.540  11.276
   59    HG3  GLN  84           HG3      GLN  84   5.183  12.892  10.202
   60   HE21  GLN  84          HE22      GLN  84   2.338  10.901  11.286
   61   HE22  GLN  84          HE21      GLN  84   1.255  12.291  11.398
   62    H    TYR  85           H        TYR  85   7.481  11.305  10.413
   63    HA   TYR  85           HA       TYR  85   7.157   9.106  12.403
   64    HB2  TYR  85           HB2      TYR  85   9.815  10.149  11.346
   65    HB3  TYR  85           HB3      TYR  85   9.634   9.136  12.760
   66    HD1  TYR  85           HD1      TYR  85   9.222   9.203   9.036
   67    HD2  TYR  85           HD2      TYR  85   9.543   6.787  12.592
   68    HE1  TYR  85           HE1      TYR  85   9.566   7.182   7.633
   69    HE2  TYR  85           HE2      TYR  85   9.932   4.775  11.192
   70    HH   TYR  85           HH       TYR  85   9.994   4.902   7.609
   71    H    LYS  86           H        LYS  86   7.556   9.772  14.522
   72    HA   LYS  86           HA       LYS  86   8.146  12.652  15.059
   73    HB2  LYS  86           HB2      LYS  86   5.702  12.311  15.134
   74    HB3  LYS  86           HB3      LYS  86   5.904  10.962  16.265
   75    HG2  LYS  86           HG2      LYS  86   6.749  12.447  18.000
   76    HG3  LYS  86           HG3      LYS  86   6.777  13.821  16.883
   77    HD2  LYS  86           HD2      LYS  86   4.301  13.679  16.656
   78    HD3  LYS  86           HD3      LYS  86   4.281  12.301  17.778
   79    HE2  LYS  86           HE2      LYS  86   5.291  13.737  19.548
   80    HE3  LYS  86           HE3      LYS  86   5.312  15.107  18.428
   81    HZ1  LYS  86           HZ1      LYS  86   2.844  13.720  19.361
   82    HZ2  LYS  86           HZ2      LYS  86   3.358  15.182  19.876
   83    HZ3  LYS  86           HZ3      LYS  86   2.873  14.992  18.332
   84    H    ASN  87           H        ASN  87   9.376  13.006  16.861
   85    HA   ASN  87           HA       ASN  87  10.430  10.569  18.288
   86    HB2  ASN  87           HB2      ASN  87  11.979  11.578  16.684
   87    HB3  ASN  87           HB3      ASN  87  11.920  13.108  17.559
   88   HD21  ASN  87          HD22      ASN  87  14.336  11.693  17.125
   89   HD22  ASN  87          HD21      ASN  87  14.874  11.067  18.680
   90    HA   PRO  88           HA       PRO  88   8.220  12.844  21.640
   91    HB2  PRO  88           HB2      PRO  88   9.004  10.189  22.877
   92    HB3  PRO  88           HB3      PRO  88   7.508  11.147  23.130
   93    HG2  PRO  88           HG2      PRO  88   7.482   9.038  21.445
   94    HG3  PRO  88           HG3      PRO  88   6.680  10.574  20.973
   95    HD2  PRO  88           HD2      PRO  88   9.358   9.497  20.091
   96    HD3  PRO  88           HD3      PRO  88   8.090  10.345  19.150
   97    H    HIS  89           H        HIS  89  11.448  11.368  21.640
   98    HA   HIS  89           HA       HIS  89  12.274  12.475  24.209
   99    HB2  HIS  89           HB2      HIS  89  13.989  11.314  21.976
  100    HB3  HIS  89           HB3      HIS  89  14.454  11.551  23.656
  101    HD1  HIS  89           HD1      HIS  89  13.057   9.943  25.495
  102    HD2  HIS  89           HD2      HIS  89  12.771   9.046  21.374
  103    HE1  HIS  89           HE1      HIS  89  12.109   7.552  25.334
  104    HE2  HIS  89           HE2      HIS  89  11.933   7.014  22.821
  105    H    THR  90           H        THR  90  12.183  13.792  20.989
  106    HA   THR  90           HA       THR  90  13.788  16.168  21.890
  107    HB   THR  90           HB       THR  90  14.522  16.448  19.615
  108    HG1  THR  90           HG1      THR  90  13.913  14.979  18.039
  109   HG21  THR  90          HG21      THR  90  15.900  14.467  19.281
  110   HG22  THR  90          HG22      THR  90  15.808  14.793  21.022
  111   HG23  THR  90          HG23      THR  90  14.829  13.489  20.305
  112    H    GLY  91           H        GLY  91  10.772  15.120  20.483
  113    HA2  GLY  91           HA2      GLY  91   8.790  16.404  20.383
  114    HA3  GLY  91           HA3      GLY  91   9.731  17.899  20.395
  115    H    GLU  92           H        GLU  92  11.367  16.083  18.180
  116    HA   GLU  92           HA       GLU  92  10.385  17.608  15.964
  117    HB2  GLU  92           HB2      GLU  92  12.501  15.526  16.436
  118    HB3  GLU  92           HB3      GLU  92  11.930  15.726  14.777
  119    HG2  GLU  92           HG2      GLU  92  12.365  17.950  14.664
  120    HG3  GLU  92           HG3      GLU  92  12.752  18.100  16.408
  121    H    VAL  93           H        VAL  93   9.479  17.073  14.054
  122    HA   VAL  93           HA       VAL  93   8.389  14.356  13.571
  123    HB   VAL  93           HB       VAL  93   7.134  17.016  12.858
  124   HG11  VAL  93          HG11      VAL  93   6.526  15.247  11.238
  125   HG12  VAL  93          HG12      VAL  93   6.063  14.168  12.571
  126   HG13  VAL  93          HG13      VAL  93   5.137  15.647  12.240
  127   HG21  VAL  93          HG21      VAL  93   5.361  16.495  14.491
  128   HG22  VAL  93          HG22      VAL  93   6.297  15.072  15.022
  129   HG23  VAL  93          HG23      VAL  93   6.951  16.719  15.231
  130    H    ILE  94           H        ILE  94   8.642  13.648  11.486
  131    HA   ILE  94           HA       ILE  94   9.689  15.397   9.352
  132    HB   ILE  94           HB       ILE  94  11.439  13.733   8.751
  133   HG12  ILE  94          HG12      ILE  94  10.850  12.470  11.459
  134   HG13  ILE  94          HG13      ILE  94  10.477  11.768   9.884
  135   HG21  ILE  94          HG21      ILE  94  13.104  14.515  10.301
  136   HG22  ILE  94          HG22      ILE  94  11.934  15.808  10.031
  137   HG23  ILE  94          HG23      ILE  94  11.886  14.865  11.538
  138   HD11  ILE  94          HD11      ILE  94  12.468  10.741  10.786
  139   HD12  ILE  94          HD12      ILE  94  12.874  11.667   9.330
  140   HD13  ILE  94          HD13      ILE  94  13.272  12.307  10.952
  141    H    GLU  95           H        GLU  95   9.677  14.313   7.302
  142    HA   GLU  95           HA       GLU  95   7.848  11.986   6.922
  143    HB2  GLU  95           HB2      GLU  95   7.660  14.730   5.604
  144    HB3  GLU  95           HB3      GLU  95   6.941  13.283   4.900
  145    HG2  GLU  95           HG2      GLU  95   5.438  13.001   6.751
  146    HG3  GLU  95           HG3      GLU  95   6.243  14.266   7.682
  147    H    THR  96           H        THR  96   8.456  10.612   5.371
  148    HA   THR  96           HA       THR  96  10.279  11.383   3.170
  149    HB   THR  96           HB       THR  96  11.932  10.804   4.757
  150    HG1  THR  96           HG1      THR  96  12.850   9.044   3.774
  151   HG21  THR  96          HG21      THR  96  10.651   9.645   6.500
  152   HG22  THR  96          HG22      THR  96  10.340   8.279   5.397
  153   HG23  THR  96          HG23      THR  96  11.992   8.626   5.956
  154    H    LYS  97           H        LYS  97  10.442   9.668   1.535
  155    HA   LYS  97           HA       LYS  97   7.989   7.954   1.326
  156    HB2  LYS  97           HB2      LYS  97  10.112   8.767  -0.701
  157    HB3  LYS  97           HB3      LYS  97   8.782   7.645  -1.042
  158    HG2  LYS  97           HG2      LYS  97   7.132   9.382  -0.421
  159    HG3  LYS  97           HG3      LYS  97   8.438  10.550  -0.181
  160    HD2  LYS  97           HD2      LYS  97   7.779   9.140  -2.805
  161    HD3  LYS  97           HD3      LYS  97   7.296  10.784  -2.371
  162    HE2  LYS  97           HE2      LYS  97   9.709  11.426  -2.156
  163    HE3  LYS  97           HE3      LYS  97  10.171   9.803  -2.681
  164    HZ1  LYS  97           HZ1      LYS  97   9.010  10.231  -4.795
  165    HZ2  LYS  97           HZ2      LYS  97   8.602  11.741  -4.313
  166    HZ3  LYS  97           HZ3      LYS  97  10.167  11.354  -4.553
  167    H    GLY  98           H        GLY  98  11.001   7.589   2.642
  168    HA2  GLY  98           HA2      GLY  98  11.478   5.435   3.653
  169    HA3  GLY  98           HA3      GLY  98  11.002   4.620   2.166
  170    H    GLY  99           H        GLY  99  12.857   7.347   1.357
  171    HA2  GLY  99           HA2      GLY  99  15.180   5.782   0.548
  172    HA3  GLY  99           HA3      GLY  99  14.946   7.516   0.362
  173    H    ASN 100           H        ASN 100  17.383   6.962   0.913
  174    HA   ASN 100           HA       ASN 100  18.151   6.672   3.675
  175    HB2  ASN 100           HB2      ASN 100  19.600   6.070   1.768
  176    HB3  ASN 100           HB3      ASN 100  19.665   7.764   1.271
  177   HD21  ASN 100          HD22      ASN 100  22.011   7.654   1.481
  178   HD22  ASN 100          HD21      ASN 100  22.742   7.717   3.075
  179    H    HIS 101           H        HIS 101  16.774   8.145   4.761
  180    HA   HIS 101           HA       HIS 101  17.322  11.071   4.488
  181    HB2  HIS 101           HB2      HIS 101  15.004  10.117   4.285
  182    HB3  HIS 101           HB3      HIS 101  15.079   9.613   5.967
  183    HD1  HIS 101           HD1      HIS 101  14.825  11.621   7.788
  184    HD2  HIS 101           HD2      HIS 101  14.732  12.730   3.726
  185    HE1  HIS 101           HE1      HIS 101  14.211  14.134   7.746
  186    HE2  HIS 101           HE2      HIS 101  14.095  14.778   5.248
  187    H    LYS 102           H        LYS 102  19.240  11.329   5.575
  188    HA   LYS 102           HA       LYS 102  20.394  10.003   7.613
  189    HB2  LYS 102           HB2      LYS 102  21.438  11.783   6.280
  190    HB3  LYS 102           HB3      LYS 102  20.505  13.009   7.127
  191    HG2  LYS 102           HG2      LYS 102  22.757  13.022   7.927
  192    HG3  LYS 102           HG3      LYS 102  21.700  12.498   9.230
  193    HD2  LYS 102           HD2      LYS 102  22.397  10.145   8.889
  194    HD3  LYS 102           HD3      LYS 102  23.374  10.633   7.479
  195    HE2  LYS 102           HE2      LYS 102  24.702  12.151   8.978
  196    HE3  LYS 102           HE3      LYS 102  23.773  11.573  10.364
  197    HZ1  LYS 102           HZ1      LYS 102  25.886  10.377  10.138
  198    HZ2  LYS 102           HZ2      LYS 102  24.660   9.318   9.929
  199    HZ3  LYS 102           HZ3      LYS 102  25.511   9.871   8.639
  200    H    THR 103           H        THR 103  18.196  12.742   8.360
  201    HA   THR 103           HA       THR 103  18.421  12.655  11.159
  202    HB   THR 103           HB       THR 103  15.883  13.274   9.588
  203    HG1  THR 103           HG1      THR 103  16.773  15.398   9.507
  204   HG21  THR 103          HG21      THR 103  16.906  14.383  12.234
  205   HG22  THR 103          HG22      THR 103  15.460  14.941  11.352
  206   HG23  THR 103          HG23      THR 103  15.506  13.309  12.022
  207    H    LEU 104           H        LEU 104  16.473  10.507   9.104
  208    HA   LEU 104           HA       LEU 104  15.008   9.297  11.364
  209    HB2  LEU 104           HB2      LEU 104  14.054   9.391   9.047
  210    HB3  LEU 104           HB3      LEU 104  15.398   8.408   8.458
  211    HG   LEU 104           HG       LEU 104  14.649   6.533   9.936
  212   HD11  LEU 104          HD11      LEU 104  12.365   6.630  10.869
  213   HD12  LEU 104          HD12      LEU 104  13.414   7.812  11.659
  214   HD13  LEU 104          HD13      LEU 104  12.241   8.340  10.431
  215   HD21  LEU 104          HD21      LEU 104  13.938   6.685   7.561
  216   HD22  LEU 104          HD22      LEU 104  12.724   5.904   8.585
  217   HD23  LEU 104          HD23      LEU 104  12.490   7.588   8.071
  218    H    LYS 105           H        LYS 105  17.806   8.449   9.234
  219    HA   LYS 105           HA       LYS 105  18.465   5.989  10.444
  220    HB2  LYS 105           HB2      LYS 105  19.417   7.215   8.324
  221    HB3  LYS 105           HB3      LYS 105  20.587   7.922   9.480
  222    HG2  LYS 105           HG2      LYS 105  21.294   5.656  10.146
  223    HG3  LYS 105           HG3      LYS 105  20.077   4.944   9.067
  224    HD2  LYS 105           HD2      LYS 105  21.214   5.966   7.105
  225    HD3  LYS 105           HD3      LYS 105  22.445   6.657   8.181
  226    HE2  LYS 105           HE2      LYS 105  23.074   4.361   8.929
  227    HE3  LYS 105           HE3      LYS 105  21.824   3.678   7.886
  228    HZ1  LYS 105           HZ1      LYS 105  23.033   4.588   5.958
  229    HZ2  LYS 105           HZ2      LYS 105  24.199   5.205   6.926
  230    HZ3  LYS 105           HZ3      LYS 105  24.001   3.593   6.810
  231    H    GLU 106           H        GLU 106  19.558   9.264  11.338
  232    HA   GLU 106           HA       GLU 106  21.120   8.549  13.555
  233    HB2  GLU 106           HB2      GLU 106  19.483  10.998  12.839
  234    HB3  GLU 106           HB3      GLU 106  20.138  10.863  14.467
  235    HG2  GLU 106           HG2      GLU 106  22.398  10.482  13.532
  236    HG3  GLU 106           HG3      GLU 106  21.737  10.722  11.894
  237    H    TRP 107           H        TRP 107  17.587   9.108  13.451
  238    HA   TRP 107           HA       TRP 107  17.200   8.595  16.251
  239    HB2  TRP 107           HB2      TRP 107  15.230   8.354  13.950
  240    HB3  TRP 107           HB3      TRP 107  14.814   8.298  15.652
  241    HD1  TRP 107           HD1      TRP 107  17.285  10.920  15.585
  242    HE1  TRP 107           HE1      TRP 107  16.282  13.249  15.356
  243    HE3  TRP 107           HE3      TRP 107  12.544   9.635  14.055
  244    HZ2  TRP 107           HZ2      TRP 107  13.824  14.421  14.538
  245    HZ3  TRP 107           HZ3      TRP 107  10.869  11.424  13.612
  246    HH2  TRP 107           HH2      TRP 107  11.509  13.834  13.838
  247    H    LYS 108           H        LYS 108  17.121   6.378  13.440
  248    HA   LYS 108           HA       LYS 108  16.351   4.010  14.938
  249    HB2  LYS 108           HB2      LYS 108  18.016   4.246  12.386
  250    HB3  LYS 108           HB3      LYS 108  17.312   2.737  13.026
  251    HG2  LYS 108           HG2      LYS 108  15.030   3.761  12.803
  252    HG3  LYS 108           HG3      LYS 108  15.754   5.180  12.087
  253    HD2  LYS 108           HD2      LYS 108  15.437   4.214  10.088
  254    HD3  LYS 108           HD3      LYS 108  16.830   3.192  10.476
  255    HE2  LYS 108           HE2      LYS 108  15.224   1.583  11.600
  256    HE3  LYS 108           HE3      LYS 108  13.882   2.599  11.061
  257    HZ1  LYS 108           HZ1      LYS 108  14.205   0.750   9.554
  258    HZ2  LYS 108           HZ2      LYS 108  14.557   2.129   8.737
  259    HZ3  LYS 108           HZ3      LYS 108  15.770   1.156   9.248
  260    H    ALA 109           H        ALA 109  19.501   5.487  14.273
  261    HA   ALA 109           HA       ALA 109  21.077   3.452  15.578
  262    HB1  ALA 109           HB1      ALA 109  21.681   6.387  15.026
  263    HB2  ALA 109           HB2      ALA 109  22.871   5.130  15.420
  264    HB3  ALA 109           HB3      ALA 109  21.957   5.043  13.900
  265    H    LYS 110           H        LYS 110  19.592   6.457  16.743
  266    HA   LYS 110           HA       LYS 110  20.854   6.156  19.408
  267    HB2  LYS 110           HB2      LYS 110  19.375   8.445  18.075
  268    HB3  LYS 110           HB3      LYS 110  19.892   8.473  19.764
  269    HG2  LYS 110           HG2      LYS 110  22.214   7.997  19.115
  270    HG3  LYS 110           HG3      LYS 110  21.786   7.990  17.411
  271    HD2  LYS 110           HD2      LYS 110  21.319  10.427  19.178
  272    HD3  LYS 110           HD3      LYS 110  22.886  10.084  18.447
  273    HE2  LYS 110           HE2      LYS 110  21.844  10.057  16.175
  274    HE3  LYS 110           HE3      LYS 110  20.288  10.495  16.907
  275    HZ1  LYS 110           HZ1      LYS 110  22.761  12.156  17.172
  276    HZ2  LYS 110           HZ2      LYS 110  21.644  12.436  16.026
  277    HZ3  LYS 110           HZ3      LYS 110  21.254  12.597  17.621
  278    H    TRP 111           H        TRP 111  17.645   5.572  18.204
  279    HA   TRP 111           HA       TRP 111  16.834   4.869  21.010
  280    HB2  TRP 111           HB2      TRP 111  15.200   6.245  18.855
  281    HB3  TRP 111           HB3      TRP 111  14.503   5.533  20.299
  282    HD1  TRP 111           HD1      TRP 111  15.318   6.508  22.705
  283    HE1  TRP 111           HE1      TRP 111  16.077   8.844  23.432
  284    HE3  TRP 111           HE3      TRP 111  16.256   8.494  18.115
  285    HZ2  TRP 111           HZ2      TRP 111  17.024  11.270  22.172
  286    HZ3  TRP 111           HZ3      TRP 111  17.192  10.809  17.899
  287    HH2  TRP 111           HH2      TRP 111  17.546  12.205  19.918
  288    H    GLY 112           H        GLY 112  17.378   3.538  17.971
  289    HA2  GLY 112           HA2      GLY 112  17.401   1.186  17.776
  290    HA3  GLY 112           HA3      GLY 112  15.963   1.034  18.766
  291    HA   PRO 113           HA       PRO 113  15.066   1.828  14.056
  292    HB2  PRO 113           HB2      PRO 113  15.351  -0.704  12.870
  293    HB3  PRO 113           HB3      PRO 113  16.543   0.618  12.804
  294    HG2  PRO 113           HG2      PRO 113  16.496  -1.753  14.638
  295    HG3  PRO 113           HG3      PRO 113  17.892  -0.934  13.819
  296    HD2  PRO 113           HD2      PRO 113  17.304  -0.561  16.442
  297    HD3  PRO 113           HD3      PRO 113  17.973   0.742  15.408
  298    H    GLU 114           H        GLU 114  14.293  -1.102  15.991
  299    HA   GLU 114           HA       GLU 114  11.736  -1.540  14.799
  300    HB2  GLU 114           HB2      GLU 114  12.878  -2.324  17.514
  301    HB3  GLU 114           HB3      GLU 114  11.325  -2.896  16.890
  302    HG2  GLU 114           HG2      GLU 114  12.487  -3.886  14.920
  303    HG3  GLU 114           HG3      GLU 114  14.040  -3.388  15.589
  304    H    ALA 115           H        ALA 115  12.772   0.345  17.611
  305    HA   ALA 115           HA       ALA 115  10.144   1.165  18.509
  306    HB1  ALA 115           HB1      ALA 115  12.139   1.311  19.937
  307    HB2  ALA 115           HB2      ALA 115  12.886   2.470  18.818
  308    HB3  ALA 115           HB3      ALA 115  11.425   2.926  19.717
  309    H    VAL 116           H        VAL 116  12.599   2.771  16.408
  310    HA   VAL 116           HA       VAL 116  10.997   5.043  15.781
  311    HB   VAL 116           HB       VAL 116  13.316   3.745  14.333
  312   HG11  VAL 116          HG11      VAL 116  13.631   5.958  13.228
  313   HG12  VAL 116          HG12      VAL 116  12.134   5.170  12.713
  314   HG13  VAL 116          HG13      VAL 116  12.072   6.498  13.893
  315   HG21  VAL 116          HG21      VAL 116  13.193   6.217  16.110
  316   HG22  VAL 116          HG22      VAL 116  13.766   4.652  16.668
  317   HG23  VAL 116          HG23      VAL 116  14.626   5.484  15.379
  318    H    GLU 117           H        GLU 117  11.234   1.867  14.040
  319    HA   GLU 117           HA       GLU 117   9.440   2.719  11.931
  320    HB2  GLU 117           HB2      GLU 117  10.348   0.000  12.938
  321    HB3  GLU 117           HB3      GLU 117   9.141   0.180  11.656
  322    HG2  GLU 117           HG2      GLU 117  10.670   1.465  10.272
  323    HG3  GLU 117           HG3      GLU 117  11.876   1.511  11.544
  324    H    SER 118           H        SER 118   8.875   1.593  15.220
  325    HA   SER 118           HA       SER 118   5.998   1.246  14.880
  326    HB2  SER 118           HB2      SER 118   7.265   0.159  16.626
  327    HB3  SER 118           HB3      SER 118   7.532   1.725  17.433
  328    HG   SER 118           HG       SER 118   5.694   0.563  18.264
  329    H    TRP 119           H        TRP 119   8.119   4.049  15.423
  330    HA   TRP 119           HA       TRP 119   6.003   5.912  16.150
  331    HB2  TRP 119           HB2      TRP 119   8.648   6.589  14.828
  332    HB3  TRP 119           HB3      TRP 119   7.582   7.662  15.686
  333    HD1  TRP 119           HD1      TRP 119   7.514   5.195  18.133
  334    HE1  TRP 119           HE1      TRP 119   9.383   5.374  19.866
  335    HE3  TRP 119           HE3      TRP 119  10.734   8.296  15.572
  336    HZ2  TRP 119           HZ2      TRP 119  11.949   6.639  20.115
  337    HZ3  TRP 119           HZ3      TRP 119  12.820   9.068  16.659
  338    HH2  TRP 119           HH2      TRP 119  13.450   8.247  18.914
  339    H    ALA 120           H        ALA 120   6.853   4.413  13.144
  340    HA   ALA 120           HA       ALA 120   6.351   6.518  11.353
  341    HB1  ALA 120           HB1      ALA 120   5.841   3.584  10.767
  342    HB2  ALA 120           HB2      ALA 120   6.253   4.874   9.617
  343    HB3  ALA 120           HB3      ALA 120   7.456   4.326  10.800
  344    H    THR 121           H        THR 121   4.614   7.261  10.223
  345    HA   THR 121           HA       THR 121   1.943   5.907  10.338
  346    HB   THR 121           HB       THR 121   1.062   8.393  10.230
  347    HG1  THR 121           HG1      THR 121   3.335   8.646  11.930
  348   HG21  THR 121          HG21      THR 121   0.595   8.376  12.617
  349   HG22  THR 121          HG22      THR 121   0.312   6.799  11.867
  350   HG23  THR 121          HG23      THR 121   1.776   7.063  12.853
  351    H    LEU 122           H        LEU 122   1.334   5.410   8.450
  352    HA   LEU 122           HA       LEU 122   2.376   6.497   5.984
  353    HB2  LEU 122           HB2      LEU 122  -0.023   4.806   6.770
  354    HB3  LEU 122           HB3      LEU 122   0.304   5.220   5.083
  355    HG   LEU 122           HG       LEU 122   2.336   3.788   6.852
  356   HD11  LEU 122          HD11      LEU 122   1.616   1.703   5.747
  357   HD12  LEU 122          HD12      LEU 122   0.292   2.416   6.678
  358   HD13  LEU 122          HD13      LEU 122   0.321   2.580   4.903
  359   HD21  LEU 122          HD21      LEU 122   3.304   3.106   4.667
  360   HD22  LEU 122          HD22      LEU 122   2.044   4.020   3.815
  361   HD23  LEU 122          HD23      LEU 122   3.248   4.874   4.791
  362    H    LEU 123           H        LEU 123   1.726   8.201   4.799
  363    HA   LEU 123           HA       LEU 123  -0.708   9.727   5.672
  364    HB2  LEU 123           HB2      LEU 123   1.730  10.753   4.160
  365    HB3  LEU 123           HB3      LEU 123   0.347  11.696   4.703
  366    HG   LEU 123           HG       LEU 123   2.567  10.502   6.393
  367   HD11  LEU 123          HD11      LEU 123   1.470  13.318   5.951
  368   HD12  LEU 123          HD12      LEU 123   2.810  12.912   7.020
  369   HD13  LEU 123          HD13      LEU 123   2.976  12.650   5.278
  370   HD21  LEU 123          HD21      LEU 123   0.484  10.155   7.682
  371   HD22  LEU 123          HD22      LEU 123   1.393  11.494   8.364
  372   HD23  LEU 123          HD23      LEU 123  -0.029  11.824   7.348
  373    H    GLY 124           H        GLY 124  -1.836  10.916   3.952
  374    HA2  GLY 124           HA2      GLY 124  -1.539   9.911   1.150
  375    HA3  GLY 124           HA3      GLY 124  -3.095   9.750   1.970
  376    H    HIS 125           H        HIS 125  -1.076  12.583   2.554
  377    HA   HIS 125           HA       HIS 125  -3.115  14.441   1.745
  378    HB2  HIS 125           HB2      HIS 125  -1.411  16.161   2.221
  379    HB3  HIS 125           HB3      HIS 125  -1.649  15.015   3.529
  380    HD1  HIS 125           HD1      HIS 125   0.695  14.221   0.603
  381    HD2  HIS 125           HD2      HIS 125   0.756  15.500   4.618
  382    HE1  HIS 125           HE1      HIS 125   3.190  14.141   1.372
  383    HE2  HIS 125           HE2      HIS 125   3.202  14.891   3.848
  Start of MODEL    3
    1    H    ALA  79           H1       ALA  79   4.612   0.902   0.637
    2    HA   ALA  79           HA       ALA  79   6.209   0.769  -1.169
    3    HB1  ALA  79           HB1      ALA  79   5.523  -0.050  -3.380
    4    HB2  ALA  79           HB2      ALA  79   5.383  -1.323  -2.165
    5    HB3  ALA  79           HB3      ALA  79   3.921  -0.497  -2.746
    6    H    ARG  80           H        ARG  80   6.583   2.665  -2.064
    7    HA   ARG  80           HA       ARG  80   6.372   4.791  -2.845
    8    HB2  ARG  80           HB2      ARG  80   4.198   3.527  -4.507
    9    HB3  ARG  80           HB3      ARG  80   5.116   5.011  -4.851
   10    HG2  ARG  80           HG2      ARG  80   7.230   3.698  -4.719
   11    HG3  ARG  80           HG3      ARG  80   6.289   2.207  -4.615
   12    HD2  ARG  80           HD2      ARG  80   6.184   4.210  -6.916
   13    HD3  ARG  80           HD3      ARG  80   7.101   2.693  -6.916
   14    HE   ARG  80           HE       ARG  80   4.451   1.978  -6.312
   15   HH11  ARG  80          HH11      ARG  80   6.111   3.363  -9.067
   16   HH12  ARG  80          HH12      ARG  80   4.953   2.731 -10.206
   17   HH21  ARG  80          HH21      ARG  80   3.004   1.199  -7.811
   18   HH22  ARG  80          HH22      ARG  80   3.236   1.531  -9.502
   19    H    LYS  81           H        LYS  81   5.025   4.636  -0.382
   20    HA   LYS  81           HA       LYS  81   3.240   7.038  -0.628
   21    HB2  LYS  81           HB2      LYS  81   2.787   4.609   1.153
   22    HB3  LYS  81           HB3      LYS  81   1.887   6.136   1.291
   23    HG2  LYS  81           HG2      LYS  81   0.965   5.838  -0.969
   24    HG3  LYS  81           HG3      LYS  81   1.941   4.386  -1.208
   25    HD2  LYS  81           HD2      LYS  81   0.730   3.425   0.863
   26    HD3  LYS  81           HD3      LYS  81  -0.451   4.718   0.628
   27    HE2  LYS  81           HE2      LYS  81   0.414   2.717  -1.527
   28    HE3  LYS  81           HE3      LYS  81  -0.964   2.447  -0.462
   29    HZ1  LYS  81           HZ1      LYS  81  -1.560   3.415  -2.655
   30    HZ2  LYS  81           HZ2      LYS  81  -2.112   4.290  -1.403
   31    HZ3  LYS  81           HZ3      LYS  81  -0.793   4.808  -2.268
   32    H    VAL  82           H        VAL  82   3.273   8.418   1.123
   33    HA   VAL  82           HA       VAL  82   5.931   8.747   2.309
   34    HB   VAL  82           HB       VAL  82   3.368  10.351   2.605
   35   HG11  VAL  82          HG11      VAL  82   4.845  12.173   3.504
   36   HG12  VAL  82          HG12      VAL  82   4.692  10.817   4.614
   37   HG13  VAL  82          HG13      VAL  82   6.170  11.006   3.638
   38   HG21  VAL  82          HG21      VAL  82   4.418  10.403   0.340
   39   HG22  VAL  82          HG22      VAL  82   4.501  11.968   1.155
   40   HG23  VAL  82          HG23      VAL  82   5.943  10.934   1.084
   41    H    LYS  83           H        LYS  83   6.611   8.381   4.325
   42    HA   LYS  83           HA       LYS  83   4.677   7.582   6.475
   43    HB2  LYS  83           HB2      LYS  83   7.540   6.699   5.949
   44    HB3  LYS  83           HB3      LYS  83   6.786   6.582   7.550
   45    HG2  LYS  83           HG2      LYS  83   4.999   5.171   6.682
   46    HG3  LYS  83           HG3      LYS  83   5.697   5.245   5.043
   47    HD2  LYS  83           HD2      LYS  83   7.682   4.067   5.750
   48    HD3  LYS  83           HD3      LYS  83   7.263   4.234   7.465
   49    HE2  LYS  83           HE2      LYS  83   5.313   2.792   7.207
   50    HE3  LYS  83           HE3      LYS  83   5.585   2.667   5.458
   51    HZ1  LYS  83           HZ1      LYS  83   7.707   1.535   5.935
   52    HZ2  LYS  83           HZ2      LYS  83   7.452   1.636   7.552
   53    HZ3  LYS  83           HZ3      LYS  83   6.472   0.719   6.620
   54    H    GLN  84           H        GLN  84   4.441   9.009   7.945
   55    HA   GLN  84           HA       GLN  84   6.353  11.210   8.501
   56    HB2  GLN  84           HB2      GLN  84   4.016  11.800   8.366
   57    HB3  GLN  84           HB3      GLN  84   3.547  10.449   9.385
   58    HG2  GLN  84           HG2      GLN  84   4.693  11.560  11.328
   59    HG3  GLN  84           HG3      GLN  84   5.074  12.930  10.271
   60   HE21  GLN  84          HE22      GLN  84   2.231  10.880  11.278
   61   HE22  GLN  84          HE21      GLN  84   1.134  12.261  11.407
   62    H    TYR  85           H        TYR  85   7.426  11.323  10.469
   63    HA   TYR  85           HA       TYR  85   7.097   9.117  12.466
   64    HB2  TYR  85           HB2      TYR  85   9.741  10.188  11.390
   65    HB3  TYR  85           HB3      TYR  85   9.580   9.155  12.789
   66    HD1  TYR  85           HD1      TYR  85   9.064   9.264   9.071
   67    HD2  TYR  85           HD2      TYR  85   9.582   6.806  12.581
   68    HE1  TYR  85           HE1      TYR  85   9.384   7.262   7.634
   69    HE2  TYR  85           HE2      TYR  85   9.961   4.827  11.153
   70    HH   TYR  85           HH       TYR  85  10.062   4.005   8.965
   71    H    LYS  86           H        LYS  86   7.470   9.785  14.597
   72    HA   LYS  86           HA       LYS  86   8.076  12.668  15.100
   73    HB2  LYS  86           HB2      LYS  86   5.633  12.308  15.201
   74    HB3  LYS  86           HB3      LYS  86   5.865  11.009  16.398
   75    HG2  LYS  86           HG2      LYS  86   6.746  12.596  18.028
   76    HG3  LYS  86           HG3      LYS  86   6.684  13.910  16.840
   77    HD2  LYS  86           HD2      LYS  86   4.211  13.665  16.697
   78    HD3  LYS  86           HD3      LYS  86   4.279  12.364  17.908
   79    HE2  LYS  86           HE2      LYS  86   5.282  13.954  19.547
   80    HE3  LYS  86           HE3      LYS  86   5.218  15.246  18.341
   81    HZ1  LYS  86           HZ1      LYS  86   3.296  15.345  19.830
   82    HZ2  LYS  86           HZ2      LYS  86   2.779  15.022  18.322
   83    HZ3  LYS  86           HZ3      LYS  86   2.835  13.826  19.438
   84    H    ASN  87           H        ASN  87   9.385  13.048  16.788
   85    HA   ASN  87           HA       ASN  87  10.450  10.674  18.299
   86    HB2  ASN  87           HB2      ASN  87  11.969  11.655  16.642
   87    HB3  ASN  87           HB3      ASN  87  11.930  13.192  17.506
   88   HD21  ASN  87          HD22      ASN  87  14.360  12.116  17.186
   89   HD22  ASN  87          HD21      ASN  87  14.911  11.336  18.664
   90    HA   PRO  88           HA       PRO  88   8.335  13.307  21.416
   91    HB2  PRO  88           HB2      PRO  88   7.943  11.324  23.333
   92    HB3  PRO  88           HB3      PRO  88   6.863  11.675  21.952
   93    HG2  PRO  88           HG2      PRO  88   9.054   9.592  22.132
   94    HG3  PRO  88           HG3      PRO  88   7.373   9.382  21.541
   95    HD2  PRO  88           HD2      PRO  88   9.413   9.736  19.821
   96    HD3  PRO  88           HD3      PRO  88   7.849  10.558  19.521
   97    H    HIS  89           H        HIS  89  11.392  11.691  21.617
   98    HA   HIS  89           HA       HIS  89  12.234  12.637  24.212
   99    HB2  HIS  89           HB2      HIS  89  13.947  12.074  21.748
  100    HB3  HIS  89           HB3      HIS  89  14.497  12.168  23.417
  101    HD1  HIS  89           HD1      HIS  89  13.009   9.749  20.972
  102    HD2  HIS  89           HD2      HIS  89  13.519  10.183  25.142
  103    HE1  HIS  89           HE1      HIS  89  12.530   7.416  22.032
  104    HE2  HIS  89           HE2      HIS  89  12.861   7.700  24.565
  105    H    THR  90           H        THR  90  12.077  14.216  21.056
  106    HA   THR  90           HA       THR  90  13.099  16.773  22.261
  107    HB   THR  90           HB       THR  90  13.943  17.341  20.057
  108    HG1  THR  90           HG1      THR  90  13.790  15.958  18.381
  109   HG21  THR  90          HG21      THR  90  15.731  15.708  19.807
  110   HG22  THR  90          HG22      THR  90  15.404  15.911  21.540
  111   HG23  THR  90          HG23      THR  90  14.791  14.476  20.679
  112    H    GLY  91           H        GLY  91  10.456  15.294  20.531
  113    HA2  GLY  91           HA2      GLY  91   8.298  16.243  20.271
  114    HA3  GLY  91           HA3      GLY  91   8.974  17.872  20.392
  115    H    GLU  92           H        GLU  92  11.051  16.227  18.362
  116    HA   GLU  92           HA       GLU  92  10.298  17.615  16.008
  117    HB2  GLU  92           HB2      GLU  92  12.247  15.453  16.755
  118    HB3  GLU  92           HB3      GLU  92  11.841  15.583  15.052
  119    HG2  GLU  92           HG2      GLU  92  12.513  17.706  14.784
  120    HG3  GLU  92           HG3      GLU  92  12.527  18.093  16.523
  121    H    VAL  93           H        VAL  93   9.503  17.062  14.070
  122    HA   VAL  93           HA       VAL  93   8.382  14.365  13.570
  123    HB   VAL  93           HB       VAL  93   7.201  17.034  12.771
  124   HG11  VAL  93          HG11      VAL  93   6.616  15.243  11.156
  125   HG12  VAL  93          HG12      VAL  93   6.084  14.199  12.497
  126   HG13  VAL  93          HG13      VAL  93   5.196  15.682  12.104
  127   HG21  VAL  93          HG21      VAL  93   6.913  16.773  15.132
  128   HG22  VAL  93          HG22      VAL  93   5.347  16.540  14.339
  129   HG23  VAL  93          HG23      VAL  93   6.254  15.123  14.924
  130    H    ILE  94           H        ILE  94   8.695  13.625  11.507
  131    HA   ILE  94           HA       ILE  94   9.757  15.356   9.372
  132    HB   ILE  94           HB       ILE  94  11.493  13.695   8.753
  133   HG12  ILE  94          HG12      ILE  94  10.931  12.434  11.466
  134   HG13  ILE  94          HG13      ILE  94  10.561  11.725   9.894
  135   HG21  ILE  94          HG21      ILE  94  11.999  14.828  11.526
  136   HG22  ILE  94          HG22      ILE  94  13.184  14.479  10.253
  137   HG23  ILE  94          HG23      ILE  94  12.006  15.771  10.025
  138   HD11  ILE  94          HD11      ILE  94  12.564  10.725  10.823
  139   HD12  ILE  94          HD12      ILE  94  12.945  11.613   9.339
  140   HD13  ILE  94          HD13      ILE  94  13.357  12.292  10.941
  141    H    GLU  95           H        GLU  95   9.732  14.268   7.322
  142    HA   GLU  95           HA       GLU  95   7.889  11.949   6.982
  143    HB2  GLU  95           HB2      GLU  95   7.707  14.678   5.654
  144    HB3  GLU  95           HB3      GLU  95   6.997  13.232   4.931
  145    HG2  GLU  95           HG2      GLU  95   5.475  12.924   6.743
  146    HG3  GLU  95           HG3      GLU  95   6.280  14.142   7.734
  147    H    THR  96           H        THR  96   8.459  10.568   5.415
  148    HA   THR  96           HA       THR  96  10.304  11.286   3.220
  149    HB   THR  96           HB       THR  96  11.942  10.683   4.806
  150    HG1  THR  96           HG1      THR  96  12.807   8.861   3.855
  151   HG21  THR  96          HG21      THR  96  10.667   9.578   6.573
  152   HG22  THR  96          HG22      THR  96  10.295   8.211   5.488
  153   HG23  THR  96          HG23      THR  96  11.962   8.508   6.023
  154    H    LYS  97           H        LYS  97  10.428   9.561   1.583
  155    HA   LYS  97           HA       LYS  97   7.925   7.917   1.396
  156    HB2  LYS  97           HB2      LYS  97  10.075   8.631  -0.647
  157    HB3  LYS  97           HB3      LYS  97   8.702   7.565  -0.972
  158    HG2  LYS  97           HG2      LYS  97   7.120   9.371  -0.419
  159    HG3  LYS  97           HG3      LYS  97   8.468  10.479  -0.115
  160    HD2  LYS  97           HD2      LYS  97   9.233  10.187  -2.463
  161    HD3  LYS  97           HD3      LYS  97   7.857   9.107  -2.774
  162    HE2  LYS  97           HE2      LYS  97   6.289  10.950  -2.184
  163    HE3  LYS  97           HE3      LYS  97   7.662  12.024  -1.873
  164    HZ1  LYS  97           HZ1      LYS  97   7.036  10.791  -4.521
  165    HZ2  LYS  97           HZ2      LYS  97   6.778  12.352  -4.120
  166    HZ3  LYS  97           HZ3      LYS  97   8.300  11.786  -4.228
  167    H    GLY  98           H        GLY  98  10.866   7.448   2.765
  168    HA2  GLY  98           HA2      GLY  98  11.286   5.312   3.793
  169    HA3  GLY  98           HA3      GLY  98  10.765   4.478   2.337
  170    H    GLY  99           H        GLY  99  12.728   7.106   1.454
  171    HA2  GLY  99           HA2      GLY  99  14.994   5.420   0.702
  172    HA3  GLY  99           HA3      GLY  99  14.819   7.149   0.435
  173    H    ASN 100           H        ASN 100  17.239   6.563   1.037
  174    HA   ASN 100           HA       ASN 100  17.970   6.363   3.816
  175    HB2  ASN 100           HB2      ASN 100  19.425   5.652   1.964
  176    HB3  ASN 100           HB3      ASN 100  19.522   7.312   1.371
  177   HD21  ASN 100          HD22      ASN 100  21.851   7.210   1.590
  178   HD22  ASN 100          HD21      ASN 100  22.576   7.375   3.184
  179    H    HIS 101           H        HIS 101  16.604   7.922   4.823
  180    HA   HIS 101           HA       HIS 101  17.228  10.812   4.419
  181    HB2  HIS 101           HB2      HIS 101  14.891   9.933   4.317
  182    HB3  HIS 101           HB3      HIS 101  14.994   9.483   6.016
  183    HD1  HIS 101           HD1      HIS 101  14.830  11.571   7.758
  184    HD2  HIS 101           HD2      HIS 101  14.733  12.531   3.658
  185    HE1  HIS 101           HE1      HIS 101  14.335  14.107   7.632
  186    HE2  HIS 101           HE2      HIS 101  14.202  14.663   5.107
  187    H    LYS 102           H        LYS 102  19.159  11.095   5.430
  188    HA   LYS 102           HA       LYS 102  20.387   9.871   7.516
  189    HB2  LYS 102           HB2      LYS 102  21.063  11.724   5.827
  190    HB3  LYS 102           HB3      LYS 102  20.720  12.854   7.122
  191    HG2  LYS 102           HG2      LYS 102  22.591  10.447   7.414
  192    HG3  LYS 102           HG3      LYS 102  23.141  11.966   6.743
  193    HD2  LYS 102           HD2      LYS 102  21.967  11.692   9.527
  194    HD3  LYS 102           HD3      LYS 102  23.695  11.645   9.149
  195    HE2  LYS 102           HE2      LYS 102  23.472  13.909   8.035
  196    HE3  LYS 102           HE3      LYS 102  21.808  13.999   8.619
  197    HZ1  LYS 102           HZ1      LYS 102  22.684  13.841  10.910
  198    HZ2  LYS 102           HZ2      LYS 102  24.229  13.813  10.349
  199    HZ3  LYS 102           HZ3      LYS 102  23.310  15.145  10.138
  200    H    THR 103           H        THR 103  18.193  12.643   8.176
  201    HA   THR 103           HA       THR 103  18.524  12.689  10.978
  202    HB   THR 103           HB       THR 103  15.871  13.141   9.554
  203    HG1  THR 103           HG1      THR 103  17.978  15.020   9.787
  204   HG21  THR 103          HG21      THR 103  15.596  14.988  11.168
  205   HG22  THR 103          HG22      THR 103  15.707  13.422  11.980
  206   HG23  THR 103          HG23      THR 103  17.111  14.513  11.977
  207    H    LEU 104           H        LEU 104  16.516  10.460   9.071
  208    HA   LEU 104           HA       LEU 104  15.098   9.320  11.401
  209    HB2  LEU 104           HB2      LEU 104  14.140   9.369   9.053
  210    HB3  LEU 104           HB3      LEU 104  15.443   8.296   8.532
  211    HG   LEU 104           HG       LEU 104  14.595   6.581  10.188
  212   HD11  LEU 104          HD11      LEU 104  13.304   8.083  11.699
  213   HD12  LEU 104          HD12      LEU 104  12.197   8.461  10.353
  214   HD13  LEU 104          HD13      LEU 104  12.286   6.821  10.998
  215   HD21  LEU 104          HD21      LEU 104  12.716   5.879   8.796
  216   HD22  LEU 104          HD22      LEU 104  12.576   7.507   8.107
  217   HD23  LEU 104          HD23      LEU 104  14.012   6.509   7.769
  218    H    LYS 105           H        LYS 105  17.869   8.452   9.251
  219    HA   LYS 105           HA       LYS 105  18.568   6.007  10.458
  220    HB2  LYS 105           HB2      LYS 105  19.513   7.221   8.347
  221    HB3  LYS 105           HB3      LYS 105  20.642   7.994   9.502
  222    HG2  LYS 105           HG2      LYS 105  21.419   5.752  10.226
  223    HG3  LYS 105           HG3      LYS 105  20.284   4.987   9.099
  224    HD2  LYS 105           HD2      LYS 105  21.456   6.059   7.184
  225    HD3  LYS 105           HD3      LYS 105  22.584   6.844   8.318
  226    HE2  LYS 105           HE2      LYS 105  23.316   4.611   9.131
  227    HE3  LYS 105           HE3      LYS 105  22.195   3.826   8.012
  228    HZ1  LYS 105           HZ1      LYS 105  24.446   3.915   7.088
  229    HZ2  LYS 105           HZ2      LYS 105  23.447   4.811   6.159
  230    HZ3  LYS 105           HZ3      LYS 105  24.490   5.542   7.190
  231    H    GLU 106           H        GLU 106  19.643   9.293  11.377
  232    HA   GLU 106           HA       GLU 106  21.164   8.509  13.608
  233    HB2  GLU 106           HB2      GLU 106  19.619  11.030  12.938
  234    HB3  GLU 106           HB3      GLU 106  20.276  10.828  14.565
  235    HG2  GLU 106           HG2      GLU 106  22.509  10.406  13.647
  236    HG3  GLU 106           HG3      GLU 106  21.880  10.630  11.996
  237    H    TRP 107           H        TRP 107  17.647   9.188  13.473
  238    HA   TRP 107           HA       TRP 107  17.190   8.674  16.244
  239    HB2  TRP 107           HB2      TRP 107  15.270   8.381  13.904
  240    HB3  TRP 107           HB3      TRP 107  14.819   8.372  15.597
  241    HD1  TRP 107           HD1      TRP 107  17.307  11.028  15.385
  242    HE1  TRP 107           HE1      TRP 107  16.255  13.331  15.120
  243    HE3  TRP 107           HE3      TRP 107  12.546   9.613  14.059
  244    HZ2  TRP 107           HZ2      TRP 107  13.734  14.436  14.394
  245    HZ3  TRP 107           HZ3      TRP 107  10.819  11.354  13.636
  246    HH2  TRP 107           HH2      TRP 107  11.406  13.780  13.797
  247    H    LYS 108           H        LYS 108  17.170   6.418  13.471
  248    HA   LYS 108           HA       LYS 108  16.348   4.059  14.954
  249    HB2  LYS 108           HB2      LYS 108  18.039   4.303  12.416
  250    HB3  LYS 108           HB3      LYS 108  17.340   2.789  13.046
  251    HG2  LYS 108           HG2      LYS 108  15.055   3.788  12.814
  252    HG3  LYS 108           HG3      LYS 108  15.763   5.216  12.113
  253    HD2  LYS 108           HD2      LYS 108  15.479   4.256  10.103
  254    HD3  LYS 108           HD3      LYS 108  16.873   3.244  10.503
  255    HE2  LYS 108           HE2      LYS 108  15.272   1.617  11.602
  256    HE3  LYS 108           HE3      LYS 108  13.925   2.619  11.066
  257    HZ1  LYS 108           HZ1      LYS 108  15.834   1.201   9.258
  258    HZ2  LYS 108           HZ2      LYS 108  14.268   0.787   9.544
  259    HZ3  LYS 108           HZ3      LYS 108  14.616   2.169   8.740
  260    H    ALA 109           H        ALA 109  19.534   5.493  14.329
  261    HA   ALA 109           HA       ALA 109  21.032   3.421  15.689
  262    HB1  ALA 109           HB1      ALA 109  21.732   6.330  15.073
  263    HB2  ALA 109           HB2      ALA 109  22.879   5.057  15.535
  264    HB3  ALA 109           HB3      ALA 109  21.997   4.942  13.999
  265    H    LYS 110           H        LYS 110  19.653   6.510  16.767
  266    HA   LYS 110           HA       LYS 110  20.861   6.402  19.425
  267    HB2  LYS 110           HB2      LYS 110  18.818   8.224  18.114
  268    HB3  LYS 110           HB3      LYS 110  19.387   8.461  19.772
  269    HG2  LYS 110           HG2      LYS 110  21.659   8.806  19.067
  270    HG3  LYS 110           HG3      LYS 110  21.298   8.347  17.402
  271    HD2  LYS 110           HD2      LYS 110  19.675  10.283  17.281
  272    HD3  LYS 110           HD3      LYS 110  20.246  10.811  18.864
  273    HE2  LYS 110           HE2      LYS 110  21.957  10.511  16.335
  274    HE3  LYS 110           HE3      LYS 110  21.279  12.027  16.938
  275    HZ1  LYS 110           HZ1      LYS 110  23.292  10.376  18.396
  276    HZ2  LYS 110           HZ2      LYS 110  23.569  11.804  17.656
  277    HZ3  LYS 110           HZ3      LYS 110  22.617  11.751  18.975
  278    H    TRP 111           H        TRP 111  17.617   5.619  18.250
  279    HA   TRP 111           HA       TRP 111  16.851   4.774  21.031
  280    HB2  TRP 111           HB2      TRP 111  15.191   6.165  18.903
  281    HB3  TRP 111           HB3      TRP 111  14.551   5.521  20.411
  282    HD1  TRP 111           HD1      TRP 111  15.707   6.501  22.732
  283    HE1  TRP 111           HE1      TRP 111  16.509   8.864  23.326
  284    HE3  TRP 111           HE3      TRP 111  15.995   8.445  18.028
  285    HZ2  TRP 111           HZ2      TRP 111  17.327  11.253  21.918
  286    HZ3  TRP 111           HZ3      TRP 111  16.922  10.741  17.668
  287    HH2  TRP 111           HH2      TRP 111  17.569  12.148  19.602
  288    H    GLY 112           H        GLY 112  17.390   3.446  18.010
  289    HA2  GLY 112           HA2      GLY 112  17.355   1.089  17.816
  290    HA3  GLY 112           HA3      GLY 112  15.896   0.979  18.778
  291    HA   PRO 113           HA       PRO 113  15.090   1.858  14.062
  292    HB2  PRO 113           HB2      PRO 113  15.389  -0.657  12.828
  293    HB3  PRO 113           HB3      PRO 113  16.577   0.676  12.797
  294    HG2  PRO 113           HG2      PRO 113  16.522  -1.717  14.599
  295    HG3  PRO 113           HG3      PRO 113  17.924  -0.902  13.793
  296    HD2  PRO 113           HD2      PRO 113  17.336  -0.551  16.411
  297    HD3  PRO 113           HD3      PRO 113  17.976   0.777  15.390
  298    H    GLU 114           H        GLU 114  14.295  -1.103  15.932
  299    HA   GLU 114           HA       GLU 114  11.755  -1.528  14.697
  300    HB2  GLU 114           HB2      GLU 114  12.867  -2.350  17.408
  301    HB3  GLU 114           HB3      GLU 114  11.314  -2.910  16.769
  302    HG2  GLU 114           HG2      GLU 114  12.488  -3.878  14.790
  303    HG3  GLU 114           HG3      GLU 114  14.040  -3.395  15.485
  304    H    ALA 115           H        ALA 115  12.753   0.313  17.557
  305    HA   ALA 115           HA       ALA 115  10.116   1.121  18.417
  306    HB1  ALA 115           HB1      ALA 115  12.088   1.232  19.882
  307    HB2  ALA 115           HB2      ALA 115  12.845   2.421  18.810
  308    HB3  ALA 115           HB3      ALA 115  11.370   2.849  19.695
  309    H    VAL 116           H        VAL 116  12.610   2.774  16.397
  310    HA   VAL 116           HA       VAL 116  11.005   5.048  15.775
  311    HB   VAL 116           HB       VAL 116  13.332   3.784  14.307
  312   HG11  VAL 116          HG11      VAL 116  12.064   6.537  13.931
  313   HG12  VAL 116          HG12      VAL 116  13.624   6.028  13.244
  314   HG13  VAL 116          HG13      VAL 116  12.129   5.235  12.719
  315   HG21  VAL 116          HG21      VAL 116  13.189   6.206  16.156
  316   HG22  VAL 116          HG22      VAL 116  13.817   4.639  16.644
  317   HG23  VAL 116          HG23      VAL 116  14.630   5.545  15.379
  318    H    GLU 117           H        GLU 117  11.256   1.886  14.003
  319    HA   GLU 117           HA       GLU 117   9.461   2.755  11.896
  320    HB2  GLU 117           HB2      GLU 117  10.366   0.033  12.888
  321    HB3  GLU 117           HB3      GLU 117   9.174   0.227  11.591
  322    HG2  GLU 117           HG2      GLU 117  10.725   1.515  10.239
  323    HG3  GLU 117           HG3      GLU 117  11.921   1.533  11.524
  324    H    SER 118           H        SER 118   8.894   1.646  15.182
  325    HA   SER 118           HA       SER 118   6.022   1.274  14.828
  326    HB2  SER 118           HB2      SER 118   7.269   0.191  16.579
  327    HB3  SER 118           HB3      SER 118   7.526   1.757  17.395
  328    HG   SER 118           HG       SER 118   5.688   0.576  18.200
  329    H    TRP 119           H        TRP 119   8.130   4.087  15.388
  330    HA   TRP 119           HA       TRP 119   6.010   5.944  16.110
  331    HB2  TRP 119           HB2      TRP 119   8.642   6.629  14.769
  332    HB3  TRP 119           HB3      TRP 119   7.580   7.698  15.638
  333    HD1  TRP 119           HD1      TRP 119   7.540   5.213  18.068
  334    HE1  TRP 119           HE1      TRP 119   9.427   5.373  19.783
  335    HE3  TRP 119           HE3      TRP 119  10.713   8.376  15.525
  336    HZ2  TRP 119           HZ2      TRP 119  12.020   6.569  19.976
  337    HZ3  TRP 119           HZ3      TRP 119  12.817   9.120  16.597
  338    HH2  TRP 119           HH2      TRP 119  13.503   8.214  18.798
  339    H    ALA 120           H        ALA 120   6.861   4.434  13.110
  340    HA   ALA 120           HA       ALA 120   6.326   6.524  11.305
  341    HB1  ALA 120           HB1      ALA 120   6.204   4.854   9.584
  342    HB2  ALA 120           HB2      ALA 120   7.449   4.351  10.749
  343    HB3  ALA 120           HB3      ALA 120   5.853   3.573  10.766
  344    H    THR 121           H        THR 121   4.564   7.261  10.216
  345    HA   THR 121           HA       THR 121   1.927   5.854  10.328
  346    HB   THR 121           HB       THR 121   0.972   8.301  10.279
  347    HG1  THR 121           HG1      THR 121   3.287   8.649  11.896
  348   HG21  THR 121          HG21      THR 121   0.593   8.278  12.682
  349   HG22  THR 121          HG22      THR 121   0.348   6.682  11.956
  350   HG23  THR 121          HG23      THR 121   1.837   7.014  12.880
  351    H    LEU 122           H        LEU 122   1.347   5.349   8.432
  352    HA   LEU 122           HA       LEU 122   2.363   6.486   5.978
  353    HB2  LEU 122           HB2      LEU 122   0.014   4.716   6.756
  354    HB3  LEU 122           HB3      LEU 122   0.320   5.155   5.072
  355    HG   LEU 122           HG       LEU 122   2.408   3.779   6.814
  356   HD11  LEU 122          HD11      LEU 122   0.404   2.520   4.877
  357   HD12  LEU 122          HD12      LEU 122   1.747   1.675   5.684
  358   HD13  LEU 122          HD13      LEU 122   0.413   2.331   6.648
  359   HD21  LEU 122          HD21      LEU 122   2.074   4.013   3.774
  360   HD22  LEU 122          HD22      LEU 122   3.260   4.907   4.742
  361   HD23  LEU 122          HD23      LEU 122   3.377   3.148   4.615
  362    H    LEU 123           H        LEU 123   1.702   8.230   4.855
  363    HA   LEU 123           HA       LEU 123  -0.712   9.703   5.795
  364    HB2  LEU 123           HB2      LEU 123   1.565  10.682   4.037
  365    HB3  LEU 123           HB3      LEU 123   0.225  11.642   4.656
  366    HG   LEU 123           HG       LEU 123   2.560  10.491   6.226
  367   HD11  LEU 123          HD11      LEU 123   2.893  12.611   5.004
  368   HD12  LEU 123          HD12      LEU 123   1.479  13.312   5.809
  369   HD13  LEU 123          HD13      LEU 123   2.914  12.885   6.751
  370   HD21  LEU 123          HD21      LEU 123   0.606  10.191   7.679
  371   HD22  LEU 123          HD22      LEU 123   1.517  11.588   8.234
  372   HD23  LEU 123          HD23      LEU 123   0.026  11.831   7.300
  373    H    GLY 124           H        GLY 124  -1.380   7.506   4.507
  374    HA2  GLY 124           HA2      GLY 124  -3.111   8.280   2.422
  375    HA3  GLY 124           HA3      GLY 124  -1.653   7.621   1.657
  376    H    HIS 125           H        HIS 125  -3.614   6.240   0.931
  377    HA   HIS 125           HA       HIS 125  -3.703   3.704   2.499
  378    HB2  HIS 125           HB2      HIS 125  -6.148   4.941   1.238
  379    HB3  HIS 125           HB3      HIS 125  -6.009   3.451   2.175
  380    HD1  HIS 125           HD1      HIS 125  -5.186   3.940   4.891
  381    HD2  HIS 125           HD2      HIS 125  -6.887   7.047   2.594
  382    HE1  HIS 125           HE1      HIS 125  -5.998   5.723   6.570
  383    HE2  HIS 125           HE2      HIS 125  -7.034   7.617   5.158
  Start of MODEL    4
    1    H    ALA  79           H1       ALA  79   4.052   0.275   0.604
    2    HA   ALA  79           HA       ALA  79   4.148   0.240  -2.350
    3    HB1  ALA  79           HB1      ALA  79   1.820   0.202  -1.466
    4    HB2  ALA  79           HB2      ALA  79   2.156   1.668  -0.516
    5    HB3  ALA  79           HB3      ALA  79   2.177   1.721  -2.293
    6    H    ARG  80           H        ARG  80   4.031   2.702  -3.112
    7    HA   ARG  80           HA       ARG  80   6.559   3.903  -2.256
    8    HB2  ARG  80           HB2      ARG  80   4.593   4.748  -4.386
    9    HB3  ARG  80           HB3      ARG  80   6.212   5.417  -4.085
   10    HG2  ARG  80           HG2      ARG  80   7.203   3.157  -4.366
   11    HG3  ARG  80           HG3      ARG  80   5.633   2.527  -4.864
   12    HD2  ARG  80           HD2      ARG  80   7.149   4.779  -6.257
   13    HD3  ARG  80           HD3      ARG  80   7.145   3.081  -6.776
   14    HE   ARG  80           HE       ARG  80   4.444   3.841  -6.635
   15   HH11  ARG  80          HH11      ARG  80   7.207   4.774  -8.572
   16   HH12  ARG  80          HH12      ARG  80   6.214   5.243  -9.927
   17   HH21  ARG  80          HH21      ARG  80   3.237   4.470  -8.400
   18   HH22  ARG  80          HH22      ARG  80   4.031   5.061  -9.829
   19    H    LYS  81           H        LYS  81   3.587   4.267  -0.884
   20    HA   LYS  81           HA       LYS  81   3.164   6.973  -0.427
   21    HB2  LYS  81           HB2      LYS  81   2.615   4.450   1.150
   22    HB3  LYS  81           HB3      LYS  81   2.309   5.990   1.931
   23    HG2  LYS  81           HG2      LYS  81   1.118   5.293  -0.782
   24    HG3  LYS  81           HG3      LYS  81   0.331   4.926   0.760
   25    HD2  LYS  81           HD2      LYS  81   0.458   7.372   1.352
   26    HD3  LYS  81           HD3      LYS  81   1.049   7.700  -0.288
   27    HE2  LYS  81           HE2      LYS  81  -1.026   6.722  -1.237
   28    HE3  LYS  81           HE3      LYS  81  -1.607   6.358   0.392
   29    HZ1  LYS  81           HZ1      LYS  81  -1.559   8.783   0.865
   30    HZ2  LYS  81           HZ2      LYS  81  -1.096   9.093  -0.682
   31    HZ3  LYS  81           HZ3      LYS  81  -2.560   8.441  -0.393
   32    H    VAL  82           H        VAL  82   3.445   8.329   1.300
   33    HA   VAL  82           HA       VAL  82   6.196   8.548   2.332
   34    HB   VAL  82           HB       VAL  82   3.702  10.251   2.728
   35   HG11  VAL  82          HG11      VAL  82   5.184  10.699   4.627
   36   HG12  VAL  82          HG12      VAL  82   6.586  10.854   3.538
   37   HG13  VAL  82          HG13      VAL  82   5.272  12.040   3.495
   38   HG21  VAL  82          HG21      VAL  82   4.595  10.263   0.390
   39   HG22  VAL  82          HG22      VAL  82   4.795  11.827   1.181
   40   HG23  VAL  82          HG23      VAL  82   6.190  10.742   1.020
   41    H    LYS  83           H        LYS  83   6.882   8.151   4.343
   42    HA   LYS  83           HA       LYS  83   4.949   7.371   6.509
   43    HB2  LYS  83           HB2      LYS  83   7.887   6.702   6.027
   44    HB3  LYS  83           HB3      LYS  83   7.150   6.621   7.635
   45    HG2  LYS  83           HG2      LYS  83   5.474   5.013   6.833
   46    HG3  LYS  83           HG3      LYS  83   6.228   5.020   5.221
   47    HD2  LYS  83           HD2      LYS  83   8.295   4.114   6.107
   48    HD3  LYS  83           HD3      LYS  83   7.753   4.330   7.777
   49    HE2  LYS  83           HE2      LYS  83   5.985   2.686   7.504
   50    HE3  LYS  83           HE3      LYS  83   6.375   2.483   5.787
   51    HZ1  LYS  83           HZ1      LYS  83   7.392   0.735   7.191
   52    HZ2  LYS  83           HZ2      LYS  83   8.547   1.594   6.423
   53    HZ3  LYS  83           HZ3      LYS  83   8.279   1.847   8.016
   54    H    GLN  84           H        GLN  84   4.564   8.894   7.893
   55    HA   GLN  84           HA       GLN  84   6.447  11.141   8.417
   56    HB2  GLN  84           HB2      GLN  84   3.989  11.562   8.129
   57    HB3  GLN  84           HB3      GLN  84   3.653  10.494   9.486
   58    HG2  GLN  84           HG2      GLN  84   4.940  12.038  10.984
   59    HG3  GLN  84           HG3      GLN  84   5.259  13.094   9.607
   60   HE21  GLN  84          HE22      GLN  84   3.340  14.258   8.601
   61   HE22  GLN  84          HE21      GLN  84   1.913  14.457   9.610
   62    H    TYR  85           H        TYR  85   7.450  11.305  10.430
   63    HA   TYR  85           HA       TYR  85   7.089   9.111  12.438
   64    HB2  TYR  85           HB2      TYR  85   9.768  10.170  11.453
   65    HB3  TYR  85           HB3      TYR  85   9.549   9.120  12.821
   66    HD1  TYR  85           HD1      TYR  85   9.223   9.280   9.091
   67    HD2  TYR  85           HD2      TYR  85   9.570   6.780  12.586
   68    HE1  TYR  85           HE1      TYR  85   9.766   7.321   7.649
   69    HE2  TYR  85           HE2      TYR  85  10.122   4.829  11.151
   70    HH   TYR  85           HH       TYR  85  10.618   4.122   9.013
   71    H    LYS  86           H        LYS  86   7.524   9.790  14.576
   72    HA   LYS  86           HA       LYS  86   8.095  12.682  15.057
   73    HB2  LYS  86           HB2      LYS  86   5.661  12.288  15.180
   74    HB3  LYS  86           HB3      LYS  86   5.919  10.988  16.360
   75    HG2  LYS  86           HG2      LYS  86   6.770  12.584  18.009
   76    HG3  LYS  86           HG3      LYS  86   6.671  13.902  16.830
   77    HD2  LYS  86           HD2      LYS  86   4.209  13.604  16.701
   78    HD3  LYS  86           HD3      LYS  86   4.309  12.281  17.882
   79    HE2  LYS  86           HE2      LYS  86   5.282  13.862  19.551
   80    HE3  LYS  86           HE3      LYS  86   5.183  15.176  18.371
   81    HZ1  LYS  86           HZ1      LYS  86   2.835  13.682  19.454
   82    HZ2  LYS  86           HZ2      LYS  86   3.271  15.196  19.877
   83    HZ3  LYS  86           HZ3      LYS  86   2.746  14.897  18.364
   84    H    ASN  87           H        ASN  87   9.330  13.102  16.862
   85    HA   ASN  87           HA       ASN  87  10.451  10.712  18.314
   86    HB2  ASN  87           HB2      ASN  87  11.971  11.727  16.686
   87    HB3  ASN  87           HB3      ASN  87  11.923  13.255  17.575
   88   HD21  ASN  87          HD22      ASN  87  14.360  12.102  17.200
   89   HD22  ASN  87          HD21      ASN  87  14.903  11.349  18.697
   90    HA   PRO  88           HA       PRO  88   8.299  12.903  21.752
   91    HB2  PRO  88           HB2      PRO  88   9.298  10.283  22.907
   92    HB3  PRO  88           HB3      PRO  88   7.788  11.180  23.283
   93    HG2  PRO  88           HG2      PRO  88   7.730   9.086  21.564
   94    HG3  PRO  88           HG3      PRO  88   6.834  10.592  21.166
   95    HD2  PRO  88           HD2      PRO  88   9.481   9.643  20.094
   96    HD3  PRO  88           HD3      PRO  88   8.135  10.477  19.254
   97    H    HIS  89           H        HIS  89  11.642  11.707  21.573
   98    HA   HIS  89           HA       HIS  89  12.539  12.739  24.111
   99    HB2  HIS  89           HB2      HIS  89  14.179  12.214  21.589
  100    HB3  HIS  89           HB3      HIS  89  14.799  12.384  23.226
  101    HD1  HIS  89           HD1      HIS  89  13.234   9.832  20.939
  102    HD2  HIS  89           HD2      HIS  89  14.128  10.378  25.034
  103    HE1  HIS  89           HE1      HIS  89  13.024   7.493  22.066
  104    HE2  HIS  89           HE2      HIS  89  13.570   7.856  24.557
  105    H    THR  90           H        THR  90  12.152  14.296  20.973
  106    HA   THR  90           HA       THR  90  13.154  16.888  22.110
  107    HB   THR  90           HB       THR  90  13.951  17.435  19.881
  108    HG1  THR  90           HG1      THR  90  13.795  16.013  18.237
  109   HG21  THR  90          HG21      THR  90  15.760  15.835  19.623
  110   HG22  THR  90          HG22      THR  90  15.469  16.049  21.364
  111   HG23  THR  90          HG23      THR  90  14.865  14.596  20.530
  112    H    GLY  91           H        GLY  91  10.476  15.327  20.546
  113    HA2  GLY  91           HA2      GLY  91   8.325  16.210  20.241
  114    HA3  GLY  91           HA3      GLY  91   8.945  17.859  20.372
  115    H    GLU  92           H        GLU  92  11.038  16.241  18.295
  116    HA   GLU  92           HA       GLU  92  10.233  17.652  15.962
  117    HB2  GLU  92           HB2      GLU  92  12.221  15.504  16.652
  118    HB3  GLU  92           HB3      GLU  92  11.802  15.675  14.956
  119    HG2  GLU  92           HG2      GLU  92  12.431  17.800  14.733
  120    HG3  GLU  92           HG3      GLU  92  12.476  18.146  16.480
  121    H    VAL  93           H        VAL  93   9.457  17.068  14.007
  122    HA   VAL  93           HA       VAL  93   8.368  14.350  13.530
  123    HB   VAL  93           HB       VAL  93   7.157  16.996  12.713
  124   HG11  VAL  93          HG11      VAL  93   6.597  15.173  11.116
  125   HG12  VAL  93          HG12      VAL  93   6.060  14.151  12.472
  126   HG13  VAL  93          HG13      VAL  93   5.171  15.627  12.049
  127   HG21  VAL  93          HG21      VAL  93   6.871  16.760  15.075
  128   HG22  VAL  93          HG22      VAL  93   5.311  16.504  14.278
  129   HG23  VAL  93          HG23      VAL  93   6.233  15.102  14.884
  130    H    ILE  94           H        ILE  94   8.708  13.593  11.476
  131    HA   ILE  94           HA       ILE  94   9.833  15.296   9.344
  132    HB   ILE  94           HB       ILE  94  11.567  13.605   8.812
  133   HG12  ILE  94          HG12      ILE  94  10.862  12.365  11.500
  134   HG13  ILE  94          HG13      ILE  94  10.585  11.654   9.913
  135   HG21  ILE  94          HG21      ILE  94  12.067  15.684  10.058
  136   HG22  ILE  94          HG22      ILE  94  11.970  14.776  11.587
  137   HG23  ILE  94          HG23      ILE  94  13.212  14.378  10.379
  138   HD11  ILE  94          HD11      ILE  94  12.511  10.620  10.906
  139   HD12  ILE  94          HD12      ILE  94  13.025  11.584   9.509
  140   HD13  ILE  94          HD13      ILE  94  13.298  12.180  11.173
  141    H    GLU  95           H        GLU  95   9.843  14.211   7.304
  142    HA   GLU  95           HA       GLU  95   8.036  11.873   6.941
  143    HB2  GLU  95           HB2      GLU  95   7.722  14.632   5.699
  144    HB3  GLU  95           HB3      GLU  95   7.049  13.175   4.940
  145    HG2  GLU  95           HG2      GLU  95   5.705  12.690   6.883
  146    HG3  GLU  95           HG3      GLU  95   6.417  14.042   7.784
  147    H    THR  96           H        THR  96   8.652  10.496   5.418
  148    HA   THR  96           HA       THR  96  10.384  11.274   3.154
  149    HB   THR  96           HB       THR  96  12.106  10.819   4.703
  150    HG1  THR  96           HG1      THR  96  13.069   9.071   3.739
  151   HG21  THR  96          HG21      THR  96  12.311   8.689   5.968
  152   HG22  THR  96          HG22      THR  96  10.934   9.654   6.516
  153   HG23  THR  96          HG23      THR  96  10.661   8.240   5.465
  154    H    LYS  97           H        LYS  97  10.532   9.576   1.520
  155    HA   LYS  97           HA       LYS  97   8.162   7.757   1.411
  156    HB2  LYS  97           HB2      LYS  97  10.312   8.467  -0.624
  157    HB3  LYS  97           HB3      LYS  97   9.003   7.310  -0.914
  158    HG2  LYS  97           HG2      LYS  97   7.323   9.072  -0.422
  159    HG3  LYS  97           HG3      LYS  97   8.614  10.266  -0.259
  160    HD2  LYS  97           HD2      LYS  97   7.992   8.657  -2.779
  161    HD3  LYS  97           HD3      LYS  97   7.486  10.322  -2.471
  162    HE2  LYS  97           HE2      LYS  97   9.893  11.007  -2.280
  163    HE3  LYS  97           HE3      LYS  97  10.379   9.352  -2.676
  164    HZ1  LYS  97           HZ1      LYS  97   8.801  11.142  -4.463
  165    HZ2  LYS  97           HZ2      LYS  97  10.378  10.772  -4.650
  166    HZ3  LYS  97           HZ3      LYS  97   9.248   9.612  -4.833
  167    H    GLY  98           H        GLY  98  11.161   7.507   2.783
  168    HA2  GLY  98           HA2      GLY  98  11.697   5.429   3.912
  169    HA3  GLY  98           HA3      GLY  98  11.207   4.515   2.487
  170    H    GLY  99           H        GLY  99  12.986   7.227   1.489
  171    HA2  GLY  99           HA2      GLY  99  15.333   5.688   0.722
  172    HA3  GLY  99           HA3      GLY  99  15.052   7.406   0.462
  173    H    ASN 100           H        ASN 100  17.515   6.947   1.005
  174    HA   ASN 100           HA       ASN 100  18.341   6.766   3.749
  175    HB2  ASN 100           HB2      ASN 100  19.780   6.188   1.828
  176    HB3  ASN 100           HB3      ASN 100  19.755   7.874   1.287
  177   HD21  ASN 100          HD22      ASN 100  22.077   7.986   1.451
  178   HD22  ASN 100          HD21      ASN 100  22.840   8.090   3.030
  179    H    HIS 101           H        HIS 101  16.920   8.214   4.830
  180    HA   HIS 101           HA       HIS 101  17.405  11.153   4.520
  181    HB2  HIS 101           HB2      HIS 101  15.107  10.197   4.263
  182    HB3  HIS 101           HB3      HIS 101  15.146   9.670   5.939
  183    HD1  HIS 101           HD1      HIS 101  14.771  11.643   7.766
  184    HD2  HIS 101           HD2      HIS 101  14.878  12.823   3.727
  185    HE1  HIS 101           HE1      HIS 101  14.197  14.169   7.740
  186    HE2  HIS 101           HE2      HIS 101  14.190  14.848   5.244
  187    H    LYS 102           H        LYS 102  19.285  11.449   5.632
  188    HA   LYS 102           HA       LYS 102  20.451  10.166   7.688
  189    HB2  LYS 102           HB2      LYS 102  21.443  11.986   6.357
  190    HB3  LYS 102           HB3      LYS 102  20.466  13.174   7.203
  191    HG2  LYS 102           HG2      LYS 102  22.717  13.249   8.024
  192    HG3  LYS 102           HG3      LYS 102  21.670  12.677   9.317
  193    HD2  LYS 102           HD2      LYS 102  22.449  10.357   8.958
  194    HD3  LYS 102           HD3      LYS 102  23.408  10.891   7.552
  195    HE2  LYS 102           HE2      LYS 102  24.687  12.435   9.066
  196    HE3  LYS 102           HE3      LYS 102  23.774  11.812  10.447
  197    HZ1  LYS 102           HZ1      LYS 102  25.925  10.693  10.209
  198    HZ2  LYS 102           HZ2      LYS 102  24.733   9.599   9.995
  199    HZ3  LYS 102           HZ3      LYS 102  25.561  10.180   8.704
  200    H    THR 103           H        THR 103  18.168  12.851   8.407
  201    HA   THR 103           HA       THR 103  18.379  12.761  11.203
  202    HB   THR 103           HB       THR 103  15.849  13.348   9.616
  203    HG1  THR 103           HG1      THR 103  16.722  15.489   9.564
  204   HG21  THR 103          HG21      THR 103  15.394  15.009  11.368
  205   HG22  THR 103          HG22      THR 103  15.463  13.380  12.046
  206   HG23  THR 103          HG23      THR 103  16.844  14.486  12.261
  207    H    LEU 104           H        LEU 104  16.415  10.625   9.137
  208    HA   LEU 104           HA       LEU 104  14.993   9.343  11.393
  209    HB2  LEU 104           HB2      LEU 104  13.970   9.395   9.122
  210    HB3  LEU 104           HB3      LEU 104  15.385   8.587   8.444
  211    HG   LEU 104           HG       LEU 104  14.902   6.583   9.821
  212   HD11  LEU 104          HD11      LEU 104  12.298   7.991  10.517
  213   HD12  LEU 104          HD12      LEU 104  12.717   6.292  10.860
  214   HD13  LEU 104          HD13      LEU 104  13.602   7.597  11.658
  215   HD21  LEU 104          HD21      LEU 104  12.566   7.442   8.091
  216   HD22  LEU 104          HD22      LEU 104  14.100   6.765   7.487
  217   HD23  LEU 104          HD23      LEU 104  13.037   5.782   8.508
  218    H    LYS 105           H        LYS 105  17.800   8.620   9.228
  219    HA   LYS 105           HA       LYS 105  18.493   6.132  10.333
  220    HB2  LYS 105           HB2      LYS 105  19.417   7.435   8.277
  221    HB3  LYS 105           HB3      LYS 105  20.586   8.124   9.446
  222    HG2  LYS 105           HG2      LYS 105  21.343   5.840  10.021
  223    HG3  LYS 105           HG3      LYS 105  20.127   5.148   8.929
  224    HD2  LYS 105           HD2      LYS 105  21.229   6.266   7.001
  225    HD3  LYS 105           HD3      LYS 105  22.460   6.932   8.099
  226    HE2  LYS 105           HE2      LYS 105  23.129   4.629   8.755
  227    HE3  LYS 105           HE3      LYS 105  21.894   3.954   7.685
  228    HZ1  LYS 105           HZ1      LYS 105  24.219   5.593   6.777
  229    HZ2  LYS 105           HZ2      LYS 105  24.090   3.973   6.623
  230    HZ3  LYS 105           HZ3      LYS 105  23.082   4.950   5.790
  231    H    GLU 106           H        GLU 106  19.559   9.376  11.368
  232    HA   GLU 106           HA       GLU 106  21.109   8.542  13.559
  233    HB2  GLU 106           HB2      GLU 106  19.536  11.058  12.951
  234    HB3  GLU 106           HB3      GLU 106  20.216  10.837  14.567
  235    HG2  GLU 106           HG2      GLU 106  22.445  10.501  13.642
  236    HG3  GLU 106           HG3      GLU 106  21.803  10.690  11.990
  237    H    TRP 107           H        TRP 107  17.590   9.263  13.506
  238    HA   TRP 107           HA       TRP 107  17.159   8.666  16.254
  239    HB2  TRP 107           HB2      TRP 107  15.235   8.415  13.916
  240    HB3  TRP 107           HB3      TRP 107  14.780   8.356  15.606
  241    HD1  TRP 107           HD1      TRP 107  17.253  11.030  15.459
  242    HE1  TRP 107           HE1      TRP 107  16.194  13.341  15.215
  243    HE3  TRP 107           HE3      TRP 107  12.493   9.630  14.123
  244    HZ2  TRP 107           HZ2      TRP 107  13.685  14.450  14.485
  245    HZ3  TRP 107           HZ3      TRP 107  10.769  11.374  13.710
  246    HH2  TRP 107           HH2      TRP 107  11.359  13.799  13.877
  247    H    LYS 108           H        LYS 108  17.050   6.487  13.429
  248    HA   LYS 108           HA       LYS 108  16.240   4.095  14.880
  249    HB2  LYS 108           HB2      LYS 108  17.746   4.444  12.233
  250    HB3  LYS 108           HB3      LYS 108  17.112   2.896  12.855
  251    HG2  LYS 108           HG2      LYS 108  14.809   3.886  12.902
  252    HG3  LYS 108           HG3      LYS 108  15.437   5.380  12.276
  253    HD2  LYS 108           HD2      LYS 108  14.511   4.516  10.415
  254    HD3  LYS 108           HD3      LYS 108  16.170   3.957  10.190
  255    HE2  LYS 108           HE2      LYS 108  15.528   1.719  10.874
  256    HE3  LYS 108           HE3      LYS 108  13.973   2.310  11.518
  257    HZ1  LYS 108           HZ1      LYS 108  14.607   2.468   8.617
  258    HZ2  LYS 108           HZ2      LYS 108  13.859   1.181   9.276
  259    HZ3  LYS 108           HZ3      LYS 108  13.128   2.631   9.355
  260    H    ALA 109           H        ALA 109  19.421   5.473  14.131
  261    HA   ALA 109           HA       ALA 109  20.923   3.324  15.348
  262    HB1  ALA 109           HB1      ALA 109  21.663   6.236  14.815
  263    HB2  ALA 109           HB2      ALA 109  22.803   4.920  15.189
  264    HB3  ALA 109           HB3      ALA 109  21.860   4.876  13.688
  265    H    LYS 110           H        LYS 110  19.674   6.408  16.599
  266    HA   LYS 110           HA       LYS 110  20.999   6.194  19.186
  267    HB2  LYS 110           HB2      LYS 110  18.912   8.084  18.054
  268    HB3  LYS 110           HB3      LYS 110  19.541   8.238  19.697
  269    HG2  LYS 110           HG2      LYS 110  21.805   8.575  18.907
  270    HG3  LYS 110           HG3      LYS 110  21.347   8.228  17.240
  271    HD2  LYS 110           HD2      LYS 110  19.812  10.235  17.288
  272    HD3  LYS 110           HD3      LYS 110  20.424  10.593  18.919
  273    HE2  LYS 110           HE2      LYS 110  22.763  10.632  17.947
  274    HE3  LYS 110           HE3      LYS 110  22.061  10.455  16.329
  275    HZ1  LYS 110           HZ1      LYS 110  22.474  12.781  16.810
  276    HZ2  LYS 110           HZ2      LYS 110  20.870  12.581  16.720
  277    HZ3  LYS 110           HZ3      LYS 110  21.593  12.745  18.187
  278    H    TRP 111           H        TRP 111  17.688   5.478  18.153
  279    HA   TRP 111           HA       TRP 111  17.066   4.518  20.932
  280    HB2  TRP 111           HB2      TRP 111  15.304   6.020  18.967
  281    HB3  TRP 111           HB3      TRP 111  14.758   5.341  20.498
  282    HD1  TRP 111           HD1      TRP 111  16.171   6.237  22.747
  283    HE1  TRP 111           HE1      TRP 111  17.007   8.593  23.325
  284    HE3  TRP 111           HE3      TRP 111  15.982   8.326  18.090
  285    HZ2  TRP 111           HZ2      TRP 111  17.665  11.027  21.921
  286    HZ3  TRP 111           HZ3      TRP 111  16.818  10.653  17.721
  287    HH2  TRP 111           HH2      TRP 111  17.645  12.007  19.628
  288    H    GLY 112           H        GLY 112  17.502   3.278  17.892
  289    HA2  GLY 112           HA2      GLY 112  17.408   0.964  17.558
  290    HA3  GLY 112           HA3      GLY 112  16.014   0.804  18.614
  291    HA   PRO 113           HA       PRO 113  14.918   1.954  13.999
  292    HB2  PRO 113           HB2      PRO 113  15.119  -0.466  12.592
  293    HB3  PRO 113           HB3      PRO 113  16.319   0.852  12.586
  294    HG2  PRO 113           HG2      PRO 113  16.330  -1.648  14.251
  295    HG3  PRO 113           HG3      PRO 113  17.694  -0.818  13.390
  296    HD2  PRO 113           HD2      PRO 113  17.314  -0.576  16.054
  297    HD3  PRO 113           HD3      PRO 113  17.872   0.800  15.055
  298    H    GLU 114           H        GLU 114  14.232  -1.073  15.799
  299    HA   GLU 114           HA       GLU 114  11.659  -1.514  14.645
  300    HB2  GLU 114           HB2      GLU 114  12.870  -2.369  17.302
  301    HB3  GLU 114           HB3      GLU 114  11.296  -2.933  16.704
  302    HG2  GLU 114           HG2      GLU 114  12.402  -3.855  14.670
  303    HG3  GLU 114           HG3      GLU 114  13.975  -3.376  15.313
  304    H    ALA 115           H        ALA 115  12.710   0.259  17.529
  305    HA   ALA 115           HA       ALA 115  10.084   1.018  18.474
  306    HB1  ALA 115           HB1      ALA 115  12.077   1.110  19.911
  307    HB2  ALA 115           HB2      ALA 115  12.825   2.317  18.842
  308    HB3  ALA 115           HB3      ALA 115  11.365   2.735  19.752
  309    H    VAL 116           H        VAL 116  12.516   2.695  16.436
  310    HA   VAL 116           HA       VAL 116  10.935   5.022  15.946
  311    HB   VAL 116           HB       VAL 116  13.229   3.808  14.401
  312   HG11  VAL 116          HG11      VAL 116  13.558   6.129  13.489
  313   HG12  VAL 116          HG12      VAL 116  12.083   5.361  12.899
  314   HG13  VAL 116          HG13      VAL 116  11.990   6.588  14.179
  315   HG21  VAL 116          HG21      VAL 116  14.559   5.520  15.566
  316   HG22  VAL 116          HG22      VAL 116  13.122   6.088  16.413
  317   HG23  VAL 116          HG23      VAL 116  13.776   4.493  16.760
  318    H    GLU 117           H        GLU 117  11.035   1.904  14.096
  319    HA   GLU 117           HA       GLU 117   9.224   2.936  12.062
  320    HB2  GLU 117           HB2      GLU 117   9.925   0.108  12.936
  321    HB3  GLU 117           HB3      GLU 117   8.745   0.458  11.679
  322    HG2  GLU 117           HG2      GLU 117  11.693   1.218  11.623
  323    HG3  GLU 117           HG3      GLU 117  10.923  -0.056  10.690
  324    H    SER 118           H        SER 118   8.712   1.625  15.343
  325    HA   SER 118           HA       SER 118   5.809   1.493  15.063
  326    HB2  SER 118           HB2      SER 118   7.423   1.780  17.599
  327    HB3  SER 118           HB3      SER 118   5.681   1.491  17.448
  328    HG   SER 118           HG       SER 118   6.830  -0.478  17.743
  329    H    TRP 119           H        TRP 119   8.088   4.159  15.579
  330    HA   TRP 119           HA       TRP 119   6.020   6.094  16.304
  331    HB2  TRP 119           HB2      TRP 119   8.675   6.702  14.975
  332    HB3  TRP 119           HB3      TRP 119   7.643   7.787  15.858
  333    HD1  TRP 119           HD1      TRP 119   7.551   5.261  18.252
  334    HE1  TRP 119           HE1      TRP 119   9.445   5.342  19.962
  335    HE3  TRP 119           HE3      TRP 119  10.806   8.395  15.756
  336    HZ2  TRP 119           HZ2      TRP 119  12.069   6.450  20.170
  337    HZ3  TRP 119           HZ3      TRP 119  12.922   9.066  16.843
  338    HH2  TRP 119           HH2      TRP 119  13.597   8.085  19.021
  339    H    ALA 120           H        ALA 120   6.804   4.499  13.320
  340    HA   ALA 120           HA       ALA 120   6.334   6.680  11.547
  341    HB1  ALA 120           HB1      ALA 120   7.607   4.538  11.036
  342    HB2  ALA 120           HB2      ALA 120   6.029   3.753  10.827
  343    HB3  ALA 120           HB3      ALA 120   6.493   5.106   9.781
  344    H    THR 121           H        THR 121   4.594   7.288  10.342
  345    HA   THR 121           HA       THR 121   2.057   5.712  10.304
  346    HB   THR 121           HB       THR 121   0.963   8.098  10.202
  347    HG1  THR 121           HG1      THR 121   1.954   9.572  11.617
  348   HG21  THR 121          HG21      THR 121   0.457   6.406  11.937
  349   HG22  THR 121          HG22      THR 121   1.870   6.954  12.874
  350   HG23  THR 121          HG23      THR 121   0.488   8.044  12.604
  351    H    LEU 122           H        LEU 122   1.546   5.183   8.400
  352    HA   LEU 122           HA       LEU 122   2.663   6.405   5.996
  353    HB2  LEU 122           HB2      LEU 122   0.615   4.268   6.658
  354    HB3  LEU 122           HB3      LEU 122   0.899   4.747   4.980
  355    HG   LEU 122           HG       LEU 122   3.148   3.785   6.798
  356   HD11  LEU 122          HD11      LEU 122   2.905   1.591   5.691
  357   HD12  LEU 122          HD12      LEU 122   1.457   2.005   6.629
  358   HD13  LEU 122          HD13      LEU 122   1.443   2.158   4.857
  359   HD21  LEU 122          HD21      LEU 122   2.845   3.909   3.752
  360   HD22  LEU 122          HD22      LEU 122   3.823   5.025   4.716
  361   HD23  LEU 122          HD23      LEU 122   4.269   3.314   4.630
  362    H    LEU 123           H        LEU 123   1.851   8.063   4.835
  363    HA   LEU 123           HA       LEU 123  -0.540   9.452   5.755
  364    HB2  LEU 123           HB2      LEU 123   1.308  10.038   3.410
  365    HB3  LEU 123           HB3      LEU 123   0.045  11.102   4.025
  366    HG   LEU 123           HG       LEU 123   2.631  10.319   5.428
  367   HD11  LEU 123          HD11      LEU 123   1.470  13.024   4.650
  368   HD12  LEU 123          HD12      LEU 123   3.079  12.694   5.330
  369   HD13  LEU 123          HD13      LEU 123   2.672  12.138   3.698
  370   HD21  LEU 123          HD21      LEU 123   0.239  11.851   6.535
  371   HD22  LEU 123          HD22      LEU 123   0.973  10.371   7.201
  372   HD23  LEU 123          HD23      LEU 123   1.859  11.897   7.247
  373    H    GLY 124           H        GLY 124  -1.791   7.427   5.336
  374    HA2  GLY 124           HA2      GLY 124  -3.478   7.824   2.910
  375    HA3  GLY 124           HA3      GLY 124  -2.813   6.209   3.227
  376    H    HIS 125           H        HIS 125  -3.926   8.569   5.626
  377    HA   HIS 125           HA       HIS 125  -6.240   6.906   6.494
  378    HB2  HIS 125           HB2      HIS 125  -4.015   7.768   8.343
  379    HB3  HIS 125           HB3      HIS 125  -5.527   6.939   8.735
  380    HD1  HIS 125           HD1      HIS 125  -1.999   6.145   7.640
  381    HD2  HIS 125           HD2      HIS 125  -5.831   4.361   7.784
  382    HE1  HIS 125           HE1      HIS 125  -1.641   3.595   7.363
  383    HE2  HIS 125           HE2      HIS 125  -3.980   2.524   7.438
  Start of MODEL    5
    1    H    ALA  79           H1       ALA  79   2.164   0.595  -0.375
    2    HA   ALA  79           HA       ALA  79   3.220   0.742  -3.129
    3    HB1  ALA  79           HB1      ALA  79   1.655   2.626  -3.495
    4    HB2  ALA  79           HB2      ALA  79   0.769   1.154  -3.086
    5    HB3  ALA  79           HB3      ALA  79   0.988   2.422  -1.864
    6    H    ARG  80           H        ARG  80   4.014   3.068  -3.589
    7    HA   ARG  80           HA       ARG  80   6.140   3.700  -1.681
    8    HB2  ARG  80           HB2      ARG  80   5.459   4.909  -4.363
    9    HB3  ARG  80           HB3      ARG  80   6.903   5.225  -3.370
   10    HG2  ARG  80           HG2      ARG  80   7.476   2.829  -3.401
   11    HG3  ARG  80           HG3      ARG  80   6.120   2.509  -4.495
   12    HD2  ARG  80           HD2      ARG  80   7.103   4.034  -6.171
   13    HD3  ARG  80           HD3      ARG  80   8.470   4.363  -5.086
   14    HE   ARG  80           HE       ARG  80   8.316   1.557  -5.409
   15   HH11  ARG  80          HH11      ARG  80   9.034   4.301  -7.470
   16   HH12  ARG  80          HH12      ARG  80  10.046   3.361  -8.532
   17   HH21  ARG  80          HH21      ARG  80   9.630   0.412  -6.795
   18   HH22  ARG  80          HH22      ARG  80  10.368   1.208  -8.156
   19    H    LYS  81           H        LYS  81   3.667   4.240  -0.468
   20    HA   LYS  81           HA       LYS  81   2.966   7.080  -0.409
   21    HB2  LYS  81           HB2      LYS  81   2.410   4.671   1.386
   22    HB3  LYS  81           HB3      LYS  81   1.886   6.304   1.831
   23    HG2  LYS  81           HG2      LYS  81   0.530   6.505  -0.174
   24    HG3  LYS  81           HG3      LYS  81   1.113   4.936  -0.776
   25    HD2  LYS  81           HD2      LYS  81   0.134   3.845   1.267
   26    HD3  LYS  81           HD3      LYS  81  -0.554   5.401   1.749
   27    HE2  LYS  81           HE2      LYS  81  -1.161   3.933  -0.869
   28    HE3  LYS  81           HE3      LYS  81  -2.139   3.819   0.595
   29    HZ1  LYS  81           HZ1      LYS  81  -1.685   6.330  -0.953
   30    HZ2  LYS  81           HZ2      LYS  81  -3.066   5.466  -0.909
   31    HZ3  LYS  81           HZ3      LYS  81  -2.557   6.228   0.438
   32    H    VAL  82           H        VAL  82   3.244   8.505   1.261
   33    HA   VAL  82           HA       VAL  82   5.954   8.703   2.361
   34    HB   VAL  82           HB       VAL  82   3.447  10.380   2.762
   35   HG11  VAL  82          HG11      VAL  82   4.847  10.811   4.697
   36   HG12  VAL  82          HG12      VAL  82   6.307  10.951   3.670
   37   HG13  VAL  82          HG13      VAL  82   5.019  12.168   3.584
   38   HG21  VAL  82          HG21      VAL  82   4.383  10.410   0.443
   39   HG22  VAL  82          HG22      VAL  82   4.543  11.976   1.249
   40   HG23  VAL  82          HG23      VAL  82   5.958  10.909   1.112
   41    H    LYS  83           H        LYS  83   6.635   8.364   4.406
   42    HA   LYS  83           HA       LYS  83   4.679   7.539   6.530
   43    HB2  LYS  83           HB2      LYS  83   7.562   6.708   6.026
   44    HB3  LYS  83           HB3      LYS  83   6.799   6.573   7.627
   45    HG2  LYS  83           HG2      LYS  83   5.039   5.144   6.739
   46    HG3  LYS  83           HG3      LYS  83   5.734   5.238   5.109
   47    HD2  LYS  83           HD2      LYS  83   7.733   4.080   5.798
   48    HD3  LYS  83           HD3      LYS  83   7.314   4.212   7.516
   49    HE2  LYS  83           HE2      LYS  83   5.378   2.755   7.228
   50    HE3  LYS  83           HE3      LYS  83   5.659   2.662   5.477
   51    HZ1  LYS  83           HZ1      LYS  83   6.550   0.704   6.631
   52    HZ2  LYS  83           HZ2      LYS  83   7.773   1.521   5.930
   53    HZ3  LYS  83           HZ3      LYS  83   7.538   1.620   7.551
   54    H    GLN  84           H        GLN  84   4.389   9.027   7.983
   55    HA   GLN  84           HA       GLN  84   6.365  11.189   8.510
   56    HB2  GLN  84           HB2      GLN  84   3.933  11.719   8.277
   57    HB3  GLN  84           HB3      GLN  84   3.568  10.657   9.628
   58    HG2  GLN  84           HG2      GLN  84   4.923  12.127  11.127
   59    HG3  GLN  84           HG3      GLN  84   5.298  13.176   9.754
   60   HE21  GLN  84          HE22      GLN  84   3.480  14.494   8.795
   61   HE22  GLN  84          HE21      GLN  84   2.048  14.733   9.789
   62    H    TYR  85           H        TYR  85   7.392  11.335  10.493
   63    HA   TYR  85           HA       TYR  85   7.051   9.147  12.507
   64    HB2  TYR  85           HB2      TYR  85   9.683  10.229  11.419
   65    HB3  TYR  85           HB3      TYR  85   9.532   9.192  12.817
   66    HD1  TYR  85           HD1      TYR  85   9.089   9.313   9.100
   67    HD2  TYR  85           HD2      TYR  85   9.472   6.833  12.609
   68    HE1  TYR  85           HE1      TYR  85   9.481   7.329   7.659
   69    HE2  TYR  85           HE2      TYR  85   9.895   4.856  11.170
   70    HH   TYR  85           HH       TYR  85   9.984   5.067   7.594
   71    H    LYS  86           H        LYS  86   7.382   9.836  14.619
   72    HA   LYS  86           HA       LYS  86   8.081  12.704  15.126
   73    HB2  LYS  86           HB2      LYS  86   5.629  12.382  15.271
   74    HB3  LYS  86           HB3      LYS  86   5.864  11.088  16.462
   75    HG2  LYS  86           HG2      LYS  86   6.808  12.671  18.069
   76    HG3  LYS  86           HG3      LYS  86   6.762  13.977  16.869
   77    HD2  LYS  86           HD2      LYS  86   4.285  13.801  16.773
   78    HD3  LYS  86           HD3      LYS  86   4.336  12.489  17.976
   79    HE2  LYS  86           HE2      LYS  86   5.394  14.047  19.609
   80    HE3  LYS  86           HE3      LYS  86   5.345  15.347  18.407
   81    HZ1  LYS  86           HZ1      LYS  86   3.445  15.476  19.932
   82    HZ2  LYS  86           HZ2      LYS  86   2.905  15.181  18.422
   83    HZ3  LYS  86           HZ3      LYS  86   2.943  13.978  19.531
   84    H    ASN  87           H        ASN  87   9.473  13.040  16.757
   85    HA   ASN  87           HA       ASN  87  10.433  10.649  18.300
   86    HB2  ASN  87           HB2      ASN  87  12.030  11.617  16.701
   87    HB3  ASN  87           HB3      ASN  87  12.015  13.134  17.603
   88   HD21  ASN  87          HD22      ASN  87  14.414  11.860  17.289
   89   HD22  ASN  87          HD21      ASN  87  14.892  11.096  18.800
   90    HA   PRO  88           HA       PRO  88   8.271  13.301  21.369
   91    HB2  PRO  88           HB2      PRO  88   7.854  11.353  23.304
   92    HB3  PRO  88           HB3      PRO  88   6.808  11.636  21.879
   93    HG2  PRO  88           HG2      PRO  88   9.050   9.610  22.169
   94    HG3  PRO  88           HG3      PRO  88   7.386   9.345  21.551
   95    HD2  PRO  88           HD2      PRO  88   9.439   9.708  19.867
   96    HD3  PRO  88           HD3      PRO  88   7.860  10.479  19.520
   97    H    HIS  89           H        HIS  89  11.285  11.617  21.643
   98    HA   HIS  89           HA       HIS  89  12.099  12.590  24.248
   99    HB2  HIS  89           HB2      HIS  89  13.879  11.775  21.910
  100    HB3  HIS  89           HB3      HIS  89  14.308  11.821  23.614
  101    HD1  HIS  89           HD1      HIS  89  12.740   9.567  21.048
  102    HD2  HIS  89           HD2      HIS  89  12.982   9.969  25.253
  103    HE1  HIS  89           HE1      HIS  89  11.898   7.320  22.074
  104    HE2  HIS  89           HE2      HIS  89  12.082   7.584  24.624
  105    H    THR  90           H        THR  90  12.073  14.060  21.056
  106    HA   THR  90           HA       THR  90  13.444  16.512  22.122
  107    HB   THR  90           HB       THR  90  14.295  16.867  19.874
  108    HG1  THR  90           HG1      THR  90  13.881  15.385  18.271
  109   HG21  THR  90          HG21      THR  90  15.602  15.307  21.377
  110   HG22  THR  90          HG22      THR  90  14.777  13.943  20.581
  111   HG23  THR  90          HG23      THR  90  15.835  15.018  19.637
  112    H    GLY  91           H        GLY  91  10.619  15.288  20.461
  113    HA2  GLY  91           HA2      GLY  91   8.562  16.456  20.282
  114    HA3  GLY  91           HA3      GLY  91   9.404  18.005  20.344
  115    H    GLU  92           H        GLU  92  11.260  16.235  18.244
  116    HA   GLU  92           HA       GLU  92  10.398  17.664  15.940
  117    HB2  GLU  92           HB2      GLU  92  12.444  15.563  16.582
  118    HB3  GLU  92           HB3      GLU  92  11.948  15.688  14.892
  119    HG2  GLU  92           HG2      GLU  92  12.448  17.881  14.660
  120    HG3  GLU  92           HG3      GLU  92  12.717  18.146  16.411
  121    H    VAL  93           H        VAL  93   9.536  17.097  14.016
  122    HA   VAL  93           HA       VAL  93   8.428  14.381  13.565
  123    HB   VAL  93           HB       VAL  93   7.219  17.036  12.755
  124   HG11  VAL  93          HG11      VAL  93   6.619  15.212  11.178
  125   HG12  VAL  93          HG12      VAL  93   6.098  14.202  12.543
  126   HG13  VAL  93          HG13      VAL  93   5.213  15.686  12.133
  127   HG21  VAL  93          HG21      VAL  93   6.980  16.803  15.133
  128   HG22  VAL  93          HG22      VAL  93   5.405  16.577  14.358
  129   HG23  VAL  93          HG23      VAL  93   6.304  15.159  14.950
  130    H    ILE  94           H        ILE  94   8.730  13.615  11.509
  131    HA   ILE  94           HA       ILE  94   9.795  15.319   9.349
  132    HB   ILE  94           HB       ILE  94  11.533  13.648   8.766
  133   HG12  ILE  94          HG12      ILE  94  10.953  12.435  11.491
  134   HG13  ILE  94          HG13      ILE  94  10.601  11.697   9.933
  135   HG21  ILE  94          HG21      ILE  94  13.213  14.459  10.279
  136   HG22  ILE  94          HG22      ILE  94  12.039  15.745   9.998
  137   HG23  ILE  94          HG23      ILE  94  12.010  14.835  11.528
  138   HD11  ILE  94          HD11      ILE  94  13.390  12.281  11.001
  139   HD12  ILE  94          HD12      ILE  94  12.589  10.709  10.894
  140   HD13  ILE  94          HD13      ILE  94  12.987  11.578   9.404
  141    H    GLU  95           H        GLU  95   9.761  14.238   7.315
  142    HA   GLU  95           HA       GLU  95   7.945  11.900   6.990
  143    HB2  GLU  95           HB2      GLU  95   7.622  14.668   5.784
  144    HB3  GLU  95           HB3      GLU  95   6.968  13.235   4.983
  145    HG2  GLU  95           HG2      GLU  95   5.557  12.702   6.850
  146    HG3  GLU  95           HG3      GLU  95   6.321  13.937   7.859
  147    H    THR  96           H        THR  96   8.503  10.530   5.433
  148    HA   THR  96           HA       THR  96  10.228  11.286   3.164
  149    HB   THR  96           HB       THR  96  11.957  10.785   4.707
  150    HG1  THR  96           HG1      THR  96  12.883   9.037   3.704
  151   HG21  THR  96          HG21      THR  96  10.801   9.638   6.522
  152   HG22  THR  96          HG22      THR  96  10.448   8.249   5.464
  153   HG23  THR  96          HG23      THR  96  12.121   8.623   5.933
  154    H    LYS  97           H        LYS  97  10.335   9.576   1.525
  155    HA   LYS  97           HA       LYS  97   7.917   7.807   1.464
  156    HB2  LYS  97           HB2      LYS  97   9.956   8.591  -0.659
  157    HB3  LYS  97           HB3      LYS  97   8.635   7.442  -0.916
  158    HG2  LYS  97           HG2      LYS  97   6.964   9.171  -0.370
  159    HG3  LYS  97           HG3      LYS  97   8.254  10.336  -0.052
  160    HD2  LYS  97           HD2      LYS  97   7.365  10.799  -2.213
  161    HD3  LYS  97           HD3      LYS  97   8.999  10.151  -2.426
  162    HE2  LYS  97           HE2      LYS  97   8.047   7.929  -3.003
  163    HE3  LYS  97           HE3      LYS  97   6.415   8.539  -2.713
  164    HZ1  LYS  97           HZ1      LYS  97   6.739  10.113  -4.554
  165    HZ2  LYS  97           HZ2      LYS  97   8.254   9.556  -4.833
  166    HZ3  LYS  97           HZ3      LYS  97   6.965   8.593  -5.091
  167    H    GLY  98           H        GLY  98  10.957   7.490   2.704
  168    HA2  GLY  98           HA2      GLY  98  11.430   5.368   3.777
  169    HA3  GLY  98           HA3      GLY  98  10.945   4.510   2.319
  170    H    GLY  99           H        GLY  99  12.828   7.228   1.473
  171    HA2  GLY  99           HA2      GLY  99  15.112   5.630   0.650
  172    HA3  GLY  99           HA3      GLY  99  14.912   7.369   0.474
  173    H    ASN 100           H        ASN 100  17.341   6.759   0.988
  174    HA   ASN 100           HA       ASN 100  18.170   6.480   3.729
  175    HB2  ASN 100           HB2      ASN 100  19.569   5.863   1.791
  176    HB3  ASN 100           HB3      ASN 100  19.622   7.551   1.275
  177   HD21  ASN 100          HD22      ASN 100  21.983   7.320   1.396
  178   HD22  ASN 100          HD21      ASN 100  22.759   7.464   2.965
  179    H    HIS 101           H        HIS 101  16.843   7.964   4.862
  180    HA   HIS 101           HA       HIS 101  17.351  10.885   4.499
  181    HB2  HIS 101           HB2      HIS 101  15.043   9.933   4.333
  182    HB3  HIS 101           HB3      HIS 101  15.127   9.467   6.030
  183    HD1  HIS 101           HD1      HIS 101  14.803  11.509   7.785
  184    HD2  HIS 101           HD2      HIS 101  14.869  12.548   3.703
  185    HE1  HIS 101           HE1      HIS 101  14.255  14.036   7.678
  186    HE2  HIS 101           HE2      HIS 101  14.225  14.635   5.167
  187    H    LYS 102           H        LYS 102  19.264  11.180   5.536
  188    HA   LYS 102           HA       LYS 102  20.535  10.075   7.614
  189    HB2  LYS 102           HB2      LYS 102  21.441  11.814   6.209
  190    HB3  LYS 102           HB3      LYS 102  20.327  13.014   6.840
  191    HG2  LYS 102           HG2      LYS 102  22.613  13.356   7.580
  192    HG3  LYS 102           HG3      LYS 102  21.507  13.139   8.937
  193    HD2  LYS 102           HD2      LYS 102  22.397  11.014   9.492
  194    HD3  LYS 102           HD3      LYS 102  23.092  10.779   7.885
  195    HE2  LYS 102           HE2      LYS 102  24.799  11.217   9.640
  196    HE3  LYS 102           HE3      LYS 102  24.860  12.325   8.270
  197    HZ1  LYS 102           HZ1      LYS 102  23.545  13.016  10.867
  198    HZ2  LYS 102           HZ2      LYS 102  25.078  13.436  10.472
  199    HZ3  LYS 102           HZ3      LYS 102  23.836  14.035   9.614
  200    H    THR 103           H        THR 103  18.214  12.729   8.323
  201    HA   THR 103           HA       THR 103  18.484  12.672  11.126
  202    HB   THR 103           HB       THR 103  15.950  13.279   9.544
  203    HG1  THR 103           HG1      THR 103  16.824  15.405   9.481
  204   HG21  THR 103          HG21      THR 103  15.534  13.304  11.976
  205   HG22  THR 103          HG22      THR 103  16.916  14.402  12.204
  206   HG23  THR 103          HG23      THR 103  15.481  14.933  11.291
  207    H    LEU 104           H        LEU 104  16.506  10.519   9.107
  208    HA   LEU 104           HA       LEU 104  15.072   9.315  11.387
  209    HB2  LEU 104           HB2      LEU 104  14.128   9.391   9.029
  210    HB3  LEU 104           HB3      LEU 104  15.448   8.343   8.503
  211    HG   LEU 104           HG       LEU 104  14.597   6.589  10.125
  212   HD11  LEU 104          HD11      LEU 104  12.282   6.799  10.919
  213   HD12  LEU 104          HD12      LEU 104  13.288   8.044  11.660
  214   HD13  LEU 104          HD13      LEU 104  12.190   8.459  10.318
  215   HD21  LEU 104          HD21      LEU 104  14.032   6.557   7.707
  216   HD22  LEU 104          HD22      LEU 104  12.738   5.888   8.721
  217   HD23  LEU 104          HD23      LEU 104  12.579   7.528   8.058
  218    H    LYS 105           H        LYS 105  17.856   8.479   9.238
  219    HA   LYS 105           HA       LYS 105  18.530   6.020  10.423
  220    HB2  LYS 105           HB2      LYS 105  19.498   7.284   8.333
  221    HB3  LYS 105           HB3      LYS 105  20.659   7.960   9.510
  222    HG2  LYS 105           HG2      LYS 105  21.305   5.620  10.141
  223    HG3  LYS 105           HG3      LYS 105  20.114   5.001   8.994
  224    HD2  LYS 105           HD2      LYS 105  22.215   4.814   7.927
  225    HD3  LYS 105           HD3      LYS 105  21.386   6.159   7.132
  226    HE2  LYS 105           HE2      LYS 105  22.713   7.777   8.462
  227    HE3  LYS 105           HE3      LYS 105  23.463   6.452   9.361
  228    HZ1  LYS 105           HZ1      LYS 105  24.477   5.686   7.274
  229    HZ2  LYS 105           HZ2      LYS 105  23.780   6.900   6.427
  230    HZ3  LYS 105           HZ3      LYS 105  24.912   7.229   7.561
  231    H    GLU 106           H        GLU 106  19.634   9.281  11.375
  232    HA   GLU 106           HA       GLU 106  21.160   8.475  13.594
  233    HB2  GLU 106           HB2      GLU 106  19.660  11.000  12.865
  234    HB3  GLU 106           HB3      GLU 106  20.256  10.819  14.516
  235    HG2  GLU 106           HG2      GLU 106  22.514  10.287  13.648
  236    HG3  GLU 106           HG3      GLU 106  21.909  10.565  11.992
  237    H    TRP 107           H        TRP 107  17.648   9.123  13.459
  238    HA   TRP 107           HA       TRP 107  17.218   8.615  16.249
  239    HB2  TRP 107           HB2      TRP 107  15.282   8.382  13.921
  240    HB3  TRP 107           HB3      TRP 107  14.839   8.316  15.614
  241    HD1  TRP 107           HD1      TRP 107  17.310  10.943  15.570
  242    HE1  TRP 107           HE1      TRP 107  16.294  13.276  15.340
  243    HE3  TRP 107           HE3      TRP 107  12.580   9.636  14.037
  244    HZ2  TRP 107           HZ2      TRP 107  13.824  14.429  14.539
  245    HZ3  TRP 107           HZ3      TRP 107  10.891  11.409  13.627
  246    HH2  TRP 107           HH2      TRP 107  11.510  13.823  13.845
  247    H    LYS 108           H        LYS 108  17.163   6.399  13.437
  248    HA   LYS 108           HA       LYS 108  16.353   4.030  14.911
  249    HB2  LYS 108           HB2      LYS 108  18.040   4.286  12.370
  250    HB3  LYS 108           HB3      LYS 108  17.335   2.769  12.996
  251    HG2  LYS 108           HG2      LYS 108  15.053   3.782  12.769
  252    HG3  LYS 108           HG3      LYS 108  15.769   5.215  12.072
  253    HD2  LYS 108           HD2      LYS 108  15.466   4.260  10.065
  254    HD3  LYS 108           HD3      LYS 108  16.861   3.234  10.447
  255    HE2  LYS 108           HE2      LYS 108  15.265   1.610  11.550
  256    HE3  LYS 108           HE3      LYS 108  13.917   2.630  11.032
  257    HZ1  LYS 108           HZ1      LYS 108  14.223   0.808   9.500
  258    HZ2  LYS 108           HZ2      LYS 108  14.589   2.189   8.699
  259    HZ3  LYS 108           HZ3      LYS 108  15.792   1.194   9.200
  260    H    ALA 109           H        ALA 109  19.525   5.484  14.294
  261    HA   ALA 109           HA       ALA 109  21.067   3.429  15.607
  262    HB1  ALA 109           HB1      ALA 109  21.976   5.018  13.949
  263    HB2  ALA 109           HB2      ALA 109  21.705   6.365  15.078
  264    HB3  ALA 109           HB3      ALA 109  22.878   5.089  15.478
  265    H    LYS 110           H        LYS 110  19.593   6.440  16.770
  266    HA   LYS 110           HA       LYS 110  20.819   6.117  19.449
  267    HB2  LYS 110           HB2      LYS 110  19.369   8.418  18.113
  268    HB3  LYS 110           HB3      LYS 110  19.853   8.433  19.813
  269    HG2  LYS 110           HG2      LYS 110  22.190   7.959  19.205
  270    HG3  LYS 110           HG3      LYS 110  21.789   7.960  17.490
  271    HD2  LYS 110           HD2      LYS 110  21.295  10.385  19.263
  272    HD3  LYS 110           HD3      LYS 110  22.876  10.047  18.545
  273    HE2  LYS 110           HE2      LYS 110  21.833  10.013  16.266
  274    HE3  LYS 110           HE3      LYS 110  20.283  10.471  16.996
  275    HZ1  LYS 110           HZ1      LYS 110  21.671  12.384  16.099
  276    HZ2  LYS 110           HZ2      LYS 110  21.261  12.568  17.686
  277    HZ3  LYS 110           HZ3      LYS 110  22.770  12.099  17.264
  278    H    TRP 111           H        TRP 111  17.624   5.545  18.211
  279    HA   TRP 111           HA       TRP 111  16.798   4.820  21.007
  280    HB2  TRP 111           HB2      TRP 111  15.153   6.181  18.849
  281    HB3  TRP 111           HB3      TRP 111  14.461   5.455  20.289
  282    HD1  TRP 111           HD1      TRP 111  15.140   6.483  22.691
  283    HE1  TRP 111           HE1      TRP 111  15.836   8.843  23.410
  284    HE3  TRP 111           HE3      TRP 111  16.330   8.378  18.123
  285    HZ2  TRP 111           HZ2      TRP 111  16.858  11.247  22.153
  286    HZ3  TRP 111           HZ3      TRP 111  17.253  10.702  17.901
  287    HH2  TRP 111           HH2      TRP 111  17.490  12.138  19.913
  288    H    GLY 112           H        GLY 112  17.362   3.508  17.956
  289    HA2  GLY 112           HA2      GLY 112  17.405   1.155  17.741
  290    HA3  GLY 112           HA3      GLY 112  15.959   0.984  18.726
  291    HA   PRO 113           HA       PRO 113  15.087   1.856  14.018
  292    HB2  PRO 113           HB2      PRO 113  15.365  -0.664  12.799
  293    HB3  PRO 113           HB3      PRO 113  16.562   0.658  12.760
  294    HG2  PRO 113           HG2      PRO 113  16.498  -1.732  14.565
  295    HG3  PRO 113           HG3      PRO 113  17.903  -0.920  13.760
  296    HD2  PRO 113           HD2      PRO 113  17.315  -0.563  16.379
  297    HD3  PRO 113           HD3      PRO 113  17.973   0.756  15.354
  298    H    GLU 114           H        GLU 114  14.282  -1.103  15.893
  299    HA   GLU 114           HA       GLU 114  11.727  -1.507  14.675
  300    HB2  GLU 114           HB2      GLU 114  12.850  -2.336  17.381
  301    HB3  GLU 114           HB3      GLU 114  11.294  -2.892  16.743
  302    HG2  GLU 114           HG2      GLU 114  12.455  -3.872  14.766
  303    HG3  GLU 114           HG3      GLU 114  14.009  -3.374  15.444
  304    H    ALA 115           H        ALA 115  12.763   0.329  17.520
  305    HA   ALA 115           HA       ALA 115  10.133   1.144  18.417
  306    HB1  ALA 115           HB1      ALA 115  12.142   1.247  19.849
  307    HB2  ALA 115           HB2      ALA 115  12.869   2.453  18.767
  308    HB3  ALA 115           HB3      ALA 115  11.403   2.857  19.680
  309    H    VAL 116           H        VAL 116  12.604   2.780  16.352
  310    HA   VAL 116           HA       VAL 116  11.005   5.063  15.748
  311    HB   VAL 116           HB       VAL 116  13.303   3.789  14.246
  312   HG11  VAL 116          HG11      VAL 116  12.057   6.555  13.905
  313   HG12  VAL 116          HG12      VAL 116  13.607   6.033  13.197
  314   HG13  VAL 116          HG13      VAL 116  12.100   5.262  12.685
  315   HG21  VAL 116          HG21      VAL 116  13.818   4.628  16.584
  316   HG22  VAL 116          HG22      VAL 116  14.632   5.530  15.311
  317   HG23  VAL 116          HG23      VAL 116  13.208   6.208  16.103
  318    H    GLU 117           H        GLU 117  11.235   1.909  13.975
  319    HA   GLU 117           HA       GLU 117   9.416   2.773  11.883
  320    HB2  GLU 117           HB2      GLU 117  10.353   0.060  12.870
  321    HB3  GLU 117           HB3      GLU 117   9.143   0.242  11.585
  322    HG2  GLU 117           HG2      GLU 117  10.665   1.556  10.224
  323    HG3  GLU 117           HG3      GLU 117  11.884   1.569  11.492
  324    H    SER 118           H        SER 118   8.891   1.661  15.182
  325    HA   SER 118           HA       SER 118   6.019   1.288  14.855
  326    HB2  SER 118           HB2      SER 118   7.333   0.196  16.574
  327    HB3  SER 118           HB3      SER 118   7.532   1.745  17.424
  328    HG   SER 118           HG       SER 118   5.264   1.815  17.690
  329    H    TRP 119           H        TRP 119   8.126   4.104  15.393
  330    HA   TRP 119           HA       TRP 119   5.998   5.948  16.141
  331    HB2  TRP 119           HB2      TRP 119   8.608   6.649  14.775
  332    HB3  TRP 119           HB3      TRP 119   7.547   7.713  15.654
  333    HD1  TRP 119           HD1      TRP 119   7.555   5.229  18.099
  334    HE1  TRP 119           HE1      TRP 119   9.476   5.393  19.780
  335    HE3  TRP 119           HE3      TRP 119  10.684   8.385  15.486
  336    HZ2  TRP 119           HZ2      TRP 119  12.089   6.582  19.912
  337    HZ3  TRP 119           HZ3      TRP 119  12.813   9.122  16.511
  338    HH2  TRP 119           HH2      TRP 119  13.540   8.219  18.700
  339    H    ALA 120           H        ALA 120   6.867   4.454  13.127
  340    HA   ALA 120           HA       ALA 120   6.296   6.521  11.318
  341    HB1  ALA 120           HB1      ALA 120   5.864   3.552  10.815
  342    HB2  ALA 120           HB2      ALA 120   6.187   4.815   9.613
  343    HB3  ALA 120           HB3      ALA 120   7.451   4.353  10.775
  344    H    THR 121           H        THR 121   4.538   7.227  10.222
  345    HA   THR 121           HA       THR 121   1.933   5.762  10.291
  346    HB   THR 121           HB       THR 121   0.928   8.194  10.205
  347    HG1  THR 121           HG1      THR 121   3.181   8.588  11.891
  348   HG21  THR 121          HG21      THR 121   0.289   6.532  11.849
  349   HG22  THR 121          HG22      THR 121   1.736   6.899  12.826
  350   HG23  THR 121          HG23      THR 121   0.458   8.126  12.598
  351    H    LEU 122           H        LEU 122   1.384   5.244   8.396
  352    HA   LEU 122           HA       LEU 122   2.392   6.387   5.941
  353    HB2  LEU 122           HB2      LEU 122   0.057   4.593   6.702
  354    HB3  LEU 122           HB3      LEU 122   0.393   5.025   5.022
  355    HG   LEU 122           HG       LEU 122   2.457   3.667   6.812
  356   HD11  LEU 122          HD11      LEU 122   0.484   2.207   6.625
  357   HD12  LEU 122          HD12      LEU 122   0.495   2.392   4.854
  358   HD13  LEU 122          HD13      LEU 122   1.833   1.556   5.680
  359   HD21  LEU 122          HD21      LEU 122   2.173   3.873   3.771
  360   HD22  LEU 122          HD22      LEU 122   3.331   4.795   4.743
  361   HD23  LEU 122          HD23      LEU 122   3.474   3.035   4.633
  362    H    LEU 123           H        LEU 123   1.664   8.072   4.760
  363    HA   LEU 123           HA       LEU 123  -0.785   9.527   5.676
  364    HB2  LEU 123           HB2      LEU 123   1.444  10.493   3.842
  365    HB3  LEU 123           HB3      LEU 123   0.126  11.444   4.507
  366    HG   LEU 123           HG       LEU 123   2.529  10.322   6.005
  367   HD11  LEU 123          HD11      LEU 123   2.940  12.694   6.453
  368   HD12  LEU 123          HD12      LEU 123   2.801  12.423   4.706
  369   HD13  LEU 123          HD13      LEU 123   1.452  13.144   5.604
  370   HD21  LEU 123          HD21      LEU 123   1.553  11.456   8.025
  371   HD22  LEU 123          HD22      LEU 123   0.044  11.710   7.134
  372   HD23  LEU 123          HD23      LEU 123   0.597  10.062   7.518
  373    H    GLY 124           H        GLY 124  -2.030  10.634   3.887
  374    HA2  GLY 124           HA2      GLY 124  -1.954   9.824   1.162
  375    HA3  GLY 124           HA3      GLY 124  -3.135   8.821   2.007
  376    H    HIS 125           H        HIS 125  -4.250  10.170   0.113
  377    HA   HIS 125           HA       HIS 125  -5.990  12.130   1.420
  378    HB2  HIS 125           HB2      HIS 125  -5.711  13.837  -0.358
  379    HB3  HIS 125           HB3      HIS 125  -4.313  13.662   0.692
  380    HD1  HIS 125           HD1      HIS 125  -4.888  11.394  -2.361
  381    HD2  HIS 125           HD2      HIS 125  -2.504  14.595  -0.998
  382    HE1  HIS 125           HE1      HIS 125  -3.022  11.735  -4.151
  383    HE2  HIS 125           HE2      HIS 125  -1.573  13.689  -3.286
  Start of MODEL    6
    1    H    ALA  79           H1       ALA  79   1.833   0.917  -0.619
    2    HA   ALA  79           HA       ALA  79   2.751   1.281  -3.405
    3    HB1  ALA  79           HB1      ALA  79   0.596   2.844  -1.886
    4    HB2  ALA  79           HB2      ALA  79   1.178   3.189  -3.528
    5    HB3  ALA  79           HB3      ALA  79   0.306   1.687  -3.201
    6    H    ARG  80           H        ARG  80   3.533   3.615  -3.731
    7    HA   ARG  80           HA       ARG  80   5.786   4.100  -1.948
    8    HB2  ARG  80           HB2      ARG  80   4.915   5.502  -4.452
    9    HB3  ARG  80           HB3      ARG  80   6.413   5.774  -3.532
   10    HG2  ARG  80           HG2      ARG  80   6.993   3.351  -3.754
   11    HG3  ARG  80           HG3      ARG  80   5.580   3.139  -4.797
   12    HD2  ARG  80           HD2      ARG  80   7.419   3.398  -6.244
   13    HD3  ARG  80           HD3      ARG  80   6.500   4.918  -6.301
   14    HE   ARG  80           HE       ARG  80   8.624   5.045  -4.345
   15   HH11  ARG  80          HH11      ARG  80   8.193   5.199  -7.819
   16   HH12  ARG  80          HH12      ARG  80   9.637   6.146  -8.054
   17   HH21  ARG  80          HH21      ARG  80  10.455   6.269  -4.711
   18   HH22  ARG  80          HH22      ARG  80  10.877   6.734  -6.334
   19    H    LYS  81           H        LYS  81   3.338   4.563  -0.537
   20    HA   LYS  81           HA       LYS  81   2.685   7.388  -0.268
   21    HB2  LYS  81           HB2      LYS  81   2.120   4.879   1.379
   22    HB3  LYS  81           HB3      LYS  81   1.647   6.490   1.950
   23    HG2  LYS  81           HG2      LYS  81   0.303   6.866  -0.066
   24    HG3  LYS  81           HG3      LYS  81   0.782   5.283  -0.714
   25    HD2  LYS  81           HD2      LYS  81  -0.314   4.152   1.199
   26    HD3  LYS  81           HD3      LYS  81  -0.760   5.730   1.885
   27    HE2  LYS  81           HE2      LYS  81  -2.092   6.243  -0.151
   28    HE3  LYS  81           HE3      LYS  81  -1.641   4.684  -0.848
   29    HZ1  LYS  81           HZ1      LYS  81  -2.816   3.594   1.011
   30    HZ2  LYS  81           HZ2      LYS  81  -3.233   5.040   1.651
   31    HZ3  LYS  81           HZ3      LYS  81  -3.836   4.581   0.209
   32    H    VAL  82           H        VAL  82   3.030   8.716   1.468
   33    HA   VAL  82           HA       VAL  82   5.801   8.822   2.413
   34    HB   VAL  82           HB       VAL  82   3.376  10.580   2.942
   35   HG11  VAL  82          HG11      VAL  82   4.840  10.912   4.853
   36   HG12  VAL  82          HG12      VAL  82   6.272  11.020   3.790
   37   HG13  VAL  82          HG13      VAL  82   5.028  12.284   3.763
   38   HG21  VAL  82          HG21      VAL  82   4.270  10.618   0.603
   39   HG22  VAL  82          HG22      VAL  82   4.506  12.160   1.435
   40   HG23  VAL  82          HG23      VAL  82   5.872  11.040   1.248
   41    H    LYS  83           H        LYS  83   6.594   8.262   4.345
   42    HA   LYS  83           HA       LYS  83   4.760   7.470   6.581
   43    HB2  LYS  83           HB2      LYS  83   7.628   6.690   5.929
   44    HB3  LYS  83           HB3      LYS  83   6.942   6.533   7.559
   45    HG2  LYS  83           HG2      LYS  83   5.134   5.115   6.727
   46    HG3  LYS  83           HG3      LYS  83   5.795   5.198   5.080
   47    HD2  LYS  83           HD2      LYS  83   7.805   4.028   5.737
   48    HD3  LYS  83           HD3      LYS  83   7.399   4.165   7.463
   49    HE2  LYS  83           HE2      LYS  83   5.434   2.726   7.167
   50    HE3  LYS  83           HE3      LYS  83   5.731   2.635   5.421
   51    HZ1  LYS  83           HZ1      LYS  83   6.605   0.664   6.564
   52    HZ2  LYS  83           HZ2      LYS  83   7.843   1.490   5.895
   53    HZ3  LYS  83           HZ3      LYS  83   7.575   1.568   7.511
   54    H    GLN  84           H        GLN  84   4.416   9.005   7.919
   55    HA   GLN  84           HA       GLN  84   6.323  11.212   8.493
   56    HB2  GLN  84           HB2      GLN  84   3.992  11.802   8.289
   57    HB3  GLN  84           HB3      GLN  84   3.496  10.460   9.306
   58    HG2  GLN  84           HG2      GLN  84   4.608  11.586  11.272
   59    HG3  GLN  84           HG3      GLN  84   4.986  12.958  10.219
   60   HE21  GLN  84          HE22      GLN  84   2.173  10.873  11.210
   61   HE22  GLN  84          HE21      GLN  84   1.046  12.231  11.317
   62    H    TYR  85           H        TYR  85   7.370  11.350  10.472
   63    HA   TYR  85           HA       TYR  85   7.038   9.153  12.481
   64    HB2  TYR  85           HB2      TYR  85   9.676  10.246  11.425
   65    HB3  TYR  85           HB3      TYR  85   9.515   9.217  12.826
   66    HD1  TYR  85           HD2      TYR  85   9.079   9.311   9.106
   67    HD2  TYR  85           HD1      TYR  85   9.527   6.865  12.627
   68    HE1  TYR  85           HE2      TYR  85   9.488   7.324   7.674
   69    HE2  TYR  85           HE1      TYR  85   9.983   4.892  11.198
   70    HH   TYR  85           HH       TYR  85  10.024   5.059   7.620
   71    H    LYS  86           H        LYS  86   7.428   9.822  14.614
   72    HA   LYS  86           HA       LYS  86   8.056  12.690  15.130
   73    HB2  LYS  86           HB2      LYS  86   5.606  12.360  15.253
   74    HB3  LYS  86           HB3      LYS  86   5.837  11.051  16.436
   75    HG2  LYS  86           HG2      LYS  86   6.756  12.635  18.072
   76    HG3  LYS  86           HG3      LYS  86   6.679  13.949  16.887
   77    HD2  LYS  86           HD2      LYS  86   4.204  13.700  16.778
   78    HD3  LYS  86           HD3      LYS  86   4.291  12.399  17.988
   79    HE2  LYS  86           HE2      LYS  86   5.310  13.991  19.612
   80    HE3  LYS  86           HE3      LYS  86   5.237  15.280  18.406
   81    HZ1  LYS  86           HZ1      LYS  86   2.797  15.063  18.412
   82    HZ2  LYS  86           HZ2      LYS  86   2.862  13.874  19.534
   83    HZ3  LYS  86           HZ3      LYS  86   3.329  15.389  19.921
   84    H    ASN  87           H        ASN  87   9.367  13.056  16.814
   85    HA   ASN  87           HA       ASN  87  10.437  10.685  18.313
   86    HB2  ASN  87           HB2      ASN  87  11.952  11.652  16.651
   87    HB3  ASN  87           HB3      ASN  87  11.913  13.200  17.500
   88   HD21  ASN  87          HD22      ASN  87  14.349  12.241  17.233
   89   HD22  ASN  87          HD21      ASN  87  14.910  11.434  18.693
   90    HA   PRO  88           HA       PRO  88   8.363  13.324  21.458
   91    HB2  PRO  88           HB2      PRO  88   7.990  11.330  23.366
   92    HB3  PRO  88           HB3      PRO  88   6.890  11.702  22.010
   93    HG2  PRO  88           HG2      PRO  88   9.059   9.589  22.132
   94    HG3  PRO  88           HG3      PRO  88   7.367   9.413  21.562
   95    HD2  PRO  88           HD2      PRO  88   9.392   9.750  19.834
   96    HD3  PRO  88           HD3      PRO  88   7.831  10.591  19.553
   97    H    HIS  89           H        HIS  89  11.407  11.674  21.614
   98    HA   HIS  89           HA       HIS  89  12.300  12.606  24.195
   99    HB2  HIS  89           HB2      HIS  89  13.971  12.055  21.702
  100    HB3  HIS  89           HB3      HIS  89  14.549  12.153  23.360
  101    HD1  HIS  89           HD1      HIS  89  13.049   9.723  20.942
  102    HD2  HIS  89           HD2      HIS  89  13.606  10.164  25.105
  103    HE1  HIS  89           HE1      HIS  89  12.647   7.378  22.008
  104    HE2  HIS  89           HE2      HIS  89  13.000   7.673  24.541
  105    H    THR  90           H        THR  90  12.113  14.209  21.043
  106    HA   THR  90           HA       THR  90  13.154  16.756  22.254
  107    HB   THR  90           HB       THR  90  13.992  17.325  20.045
  108    HG1  THR  90           HG1      THR  90  13.827  15.942  18.367
  109   HG21  THR  90          HG21      THR  90  15.772  15.682  19.787
  110   HG22  THR  90          HG22      THR  90  15.457  15.893  21.523
  111   HG23  THR  90          HG23      THR  90  14.830  14.460  20.668
  112    H    GLY  91           H        GLY  91  10.486  15.295  20.554
  113    HA2  GLY  91           HA2      GLY  91   8.336  16.272  20.300
  114    HA3  GLY  91           HA3      GLY  91   9.036  17.887  20.402
  115    H    GLU  92           H        GLU  92  11.090  16.225  18.371
  116    HA   GLU  92           HA       GLU  92  10.328  17.624  16.026
  117    HB2  GLU  92           HB2      GLU  92  12.270  15.450  16.750
  118    HB3  GLU  92           HB3      GLU  92  11.860  15.590  15.047
  119    HG2  GLU  92           HG2      GLU  92  12.542  17.708  14.787
  120    HG3  GLU  92           HG3      GLU  92  12.563  18.087  16.528
  121    H    VAL  93           H        VAL  93   9.521  17.076  14.082
  122    HA   VAL  93           HA       VAL  93   8.358  14.390  13.594
  123    HB   VAL  93           HB       VAL  93   7.200  17.072  12.812
  124   HG11  VAL  93          HG11      VAL  93   6.555  15.267  11.222
  125   HG12  VAL  93          HG12      VAL  93   6.026  14.254  12.587
  126   HG13  VAL  93          HG13      VAL  93   5.162  15.750  12.192
  127   HG21  VAL  93          HG21      VAL  93   6.252  15.190  14.982
  128   HG22  VAL  93          HG22      VAL  93   6.947  16.820  15.187
  129   HG23  VAL  93          HG23      VAL  93   5.369  16.631  14.410
  130    H    ILE  94           H        ILE  94   8.658  13.644  11.526
  131    HA   ILE  94           HA       ILE  94   9.742  15.358   9.386
  132    HB   ILE  94           HB       ILE  94  11.466  13.678   8.784
  133   HG12  ILE  94          HG12      ILE  94  10.872  12.439  11.499
  134   HG13  ILE  94          HG13      ILE  94  10.507  11.725   9.931
  135   HG21  ILE  94          HG21      ILE  94  11.997  15.754  10.038
  136   HG22  ILE  94          HG22      ILE  94  11.966  14.823  11.553
  137   HG23  ILE  94          HG23      ILE  94  13.160  14.450  10.284
  138   HD11  ILE  94          HD11      ILE  94  12.889  11.573   9.391
  139   HD12  ILE  94          HD12      ILE  94  13.311  12.272  10.987
  140   HD13  ILE  94          HD13      ILE  94  12.492  10.715  10.892
  141    H    GLU  95           H        GLU  95   9.740  14.250   7.340
  142    HA   GLU  95           HA       GLU  95   7.841  11.978   6.975
  143    HB2  GLU  95           HB2      GLU  95   7.723  14.739   5.689
  144    HB3  GLU  95           HB3      GLU  95   6.965  13.325   4.958
  145    HG2  GLU  95           HG2      GLU  95   5.449  13.037   6.789
  146    HG3  GLU  95           HG3      GLU  95   6.300  14.225   7.775
  147    H    THR  96           H        THR  96   8.427  10.580   5.437
  148    HA   THR  96           HA       THR  96  10.226  11.313   3.206
  149    HB   THR  96           HB       THR  96  11.896  10.723   4.768
  150    HG1  THR  96           HG1      THR  96  12.733   8.876   3.807
  151   HG21  THR  96          HG21      THR  96  10.271   8.245   5.486
  152   HG22  THR  96          HG22      THR  96  11.940   8.561   6.007
  153   HG23  THR  96          HG23      THR  96  10.643   9.620   6.557
  154    H    LYS  97           H        LYS  97  10.261   9.657   1.523
  155    HA   LYS  97           HA       LYS  97   7.785   7.980   1.421
  156    HB2  LYS  97           HB2      LYS  97   9.854   8.722  -0.690
  157    HB3  LYS  97           HB3      LYS  97   8.487   7.627  -0.969
  158    HG2  LYS  97           HG2      LYS  97   6.899   9.414  -0.336
  159    HG3  LYS  97           HG3      LYS  97   8.251  10.541  -0.108
  160    HD2  LYS  97           HD2      LYS  97   8.894  10.254  -2.497
  161    HD3  LYS  97           HD3      LYS  97   7.516   9.145  -2.726
  162    HE2  LYS  97           HE2      LYS  97   5.946  10.958  -2.075
  163    HE3  LYS  97           HE3      LYS  97   7.309  12.058  -1.820
  164    HZ1  LYS  97           HZ1      LYS  97   6.325  12.388  -4.019
  165    HZ2  LYS  97           HZ2      LYS  97   7.852  11.839  -4.199
  166    HZ3  LYS  97           HZ3      LYS  97   6.581  10.834  -4.436
  167    H    GLY  98           H        GLY  98  10.831   7.511   2.626
  168    HA2  GLY  98           HA2      GLY  98  11.155   5.328   3.670
  169    HA3  GLY  98           HA3      GLY  98  10.683   4.540   2.168
  170    H    GLY  99           H        GLY  99  12.687   7.144   1.360
  171    HA2  GLY  99           HA2      GLY  99  14.932   5.442   0.643
  172    HA3  GLY  99           HA3      GLY  99  14.806   7.184   0.430
  173    H    ASN 100           H        ASN 100  17.200   6.490   1.045
  174    HA   ASN 100           HA       ASN 100  17.892   6.213   3.823
  175    HB2  ASN 100           HB2      ASN 100  19.352   5.491   1.980
  176    HB3  ASN 100           HB3      ASN 100  19.496   7.159   1.412
  177   HD21  ASN 100          HD22      ASN 100  21.827   6.983   1.655
  178   HD22  ASN 100          HD21      ASN 100  22.540   7.097   3.255
  179    H    HIS 101           H        HIS 101  16.580   7.783   4.856
  180    HA   HIS 101           HA       HIS 101  17.194  10.664   4.453
  181    HB2  HIS 101           HB2      HIS 101  14.856   9.751   4.437
  182    HB3  HIS 101           HB3      HIS 101  15.023   9.353   6.143
  183    HD1  HIS 101           HD1      HIS 101  14.704  11.458   7.811
  184    HD2  HIS 101           HD2      HIS 101  14.845  12.366   3.699
  185    HE1  HIS 101           HE1      HIS 101  14.256  13.995   7.620
  186    HE2  HIS 101           HE2      HIS 101  14.265  14.520   5.090
  187    H    LYS 102           H        LYS 102  19.150  10.966   5.395
  188    HA   LYS 102           HA       LYS 102  20.492   9.862   7.459
  189    HB2  LYS 102           HB2      LYS 102  21.034  11.714   5.740
  190    HB3  LYS 102           HB3      LYS 102  20.592  12.861   6.988
  191    HG2  LYS 102           HG2      LYS 102  22.726  10.686   7.312
  192    HG3  LYS 102           HG3      LYS 102  23.046  12.296   6.662
  193    HD2  LYS 102           HD2      LYS 102  22.159  13.294   8.795
  194    HD3  LYS 102           HD3      LYS 102  22.084  11.643   9.462
  195    HE2  LYS 102           HE2      LYS 102  24.431  11.350   9.350
  196    HE3  LYS 102           HE3      LYS 102  24.648  12.687   8.214
  197    HZ1  LYS 102           HZ1      LYS 102  25.307  13.226  10.552
  198    HZ2  LYS 102           HZ2      LYS 102  24.198  14.260   9.946
  199    HZ3  LYS 102           HZ3      LYS 102  23.726  13.120  11.014
  200    H    THR 103           H        THR 103  18.281  12.616   8.145
  201    HA   THR 103           HA       THR 103  18.619  12.642  10.940
  202    HB   THR 103           HB       THR 103  16.044  13.226   9.410
  203    HG1  THR 103           HG1      THR 103  16.946  15.342   9.278
  204   HG21  THR 103          HG21      THR 103  15.696  13.318  11.853
  205   HG22  THR 103          HG22      THR 103  17.107  14.394  12.021
  206   HG23  THR 103          HG23      THR 103  15.652  14.933  11.143
  207    H    LEU 104           H        LEU 104  16.529  10.457   9.062
  208    HA   LEU 104           HA       LEU 104  15.146   9.341  11.418
  209    HB2  LEU 104           HB2      LEU 104  14.171   9.358   9.066
  210    HB3  LEU 104           HB3      LEU 104  15.466   8.263   8.568
  211    HG   LEU 104           HG       LEU 104  14.600   6.593  10.277
  212   HD11  LEU 104          HD11      LEU 104  12.208   8.489  10.332
  213   HD12  LEU 104          HD12      LEU 104  12.281   6.874  11.042
  214   HD13  LEU 104          HD13      LEU 104  13.289   8.163  11.715
  215   HD21  LEU 104          HD21      LEU 104  12.639   7.467   8.125
  216   HD22  LEU 104          HD22      LEU 104  14.069   6.440   7.866
  217   HD23  LEU 104          HD23      LEU 104  12.742   5.858   8.880
  218    H    LYS 105           H        LYS 105  17.902   8.446   9.261
  219    HA   LYS 105           HA       LYS 105  18.577   5.996  10.472
  220    HB2  LYS 105           HB2      LYS 105  19.537   7.215   8.363
  221    HB3  LYS 105           HB3      LYS 105  20.697   7.934   9.519
  222    HG2  LYS 105           HG2      LYS 105  21.393   5.661  10.218
  223    HG3  LYS 105           HG3      LYS 105  20.218   4.952   9.093
  224    HD2  LYS 105           HD2      LYS 105  21.414   5.987   7.184
  225    HD3  LYS 105           HD3      LYS 105  22.591   6.711   8.308
  226    HE2  LYS 105           HE2      LYS 105  23.236   4.434   9.090
  227    HE3  LYS 105           HE3      LYS 105  22.069   3.715   7.972
  228    HZ1  LYS 105           HZ1      LYS 105  23.347   4.678   6.120
  229    HZ2  LYS 105           HZ2      LYS 105  24.434   5.339   7.152
  230    HZ3  LYS 105           HZ3      LYS 105  24.306   3.716   7.026
  231    H    GLU 106           H        GLU 106  19.720   9.266  11.380
  232    HA   GLU 106           HA       GLU 106  21.200   8.459  13.623
  233    HB2  GLU 106           HB2      GLU 106  19.767  11.011  12.883
  234    HB3  GLU 106           HB3      GLU 106  20.344  10.817  14.547
  235    HG2  GLU 106           HG2      GLU 106  22.595  10.246  13.709
  236    HG3  GLU 106           HG3      GLU 106  22.012  10.504  12.041
  237    H    TRP 107           H        TRP 107  17.696   9.182  13.461
  238    HA   TRP 107           HA       TRP 107  17.211   8.704  16.239
  239    HB2  TRP 107           HB2      TRP 107  15.311   8.385  13.883
  240    HB3  TRP 107           HB3      TRP 107  14.847   8.393  15.572
  241    HD1  TRP 107           HD1      TRP 107  17.343  11.042  15.287
  242    HE1  TRP 107           HE1      TRP 107  16.286  13.348  15.019
  243    HE3  TRP 107           HE3      TRP 107  12.561   9.617  14.092
  244    HZ2  TRP 107           HZ2      TRP 107  13.743  14.445  14.351
  245    HZ3  TRP 107           HZ3      TRP 107  10.817  11.345  13.697
  246    HH2  TRP 107           HH2      TRP 107  11.402  13.777  13.824
  247    H    LYS 108           H        LYS 108  17.211   6.420  13.487
  248    HA   LYS 108           HA       LYS 108  16.365   4.073  14.979
  249    HB2  LYS 108           HB2      LYS 108  18.070   4.304  12.451
  250    HB3  LYS 108           HB3      LYS 108  17.368   2.792  13.084
  251    HG2  LYS 108           HG2      LYS 108  15.087   3.775  12.820
  252    HG3  LYS 108           HG3      LYS 108  15.784   5.223  12.148
  253    HD2  LYS 108           HD2      LYS 108  15.510   4.290  10.127
  254    HD3  LYS 108           HD3      LYS 108  16.929   3.300  10.508
  255    HE2  LYS 108           HE2      LYS 108  15.378   1.610  11.557
  256    HE3  LYS 108           HE3      LYS 108  14.001   2.602  11.062
  257    HZ1  LYS 108           HZ1      LYS 108  15.921   1.251   9.216
  258    HZ2  LYS 108           HZ2      LYS 108  14.349   0.840   9.483
  259    HZ3  LYS 108           HZ3      LYS 108  14.711   2.244   8.717
  260    H    ALA 109           H        ALA 109  19.563   5.492  14.373
  261    HA   ALA 109           HA       ALA 109  21.039   3.412  15.739
  262    HB1  ALA 109           HB1      ALA 109  21.765   6.321  15.144
  263    HB2  ALA 109           HB2      ALA 109  22.897   5.031  15.591
  264    HB3  ALA 109           HB3      ALA 109  22.013   4.938  14.053
  265    H    LYS 110           H        LYS 110  19.675   6.518  16.811
  266    HA   LYS 110           HA       LYS 110  20.859   6.399  19.472
  267    HB2  LYS 110           HB2      LYS 110  18.805   8.219  18.178
  268    HB3  LYS 110           HB3      LYS 110  19.377   8.441  19.836
  269    HG2  LYS 110           HG2      LYS 110  21.660   8.791  19.110
  270    HG3  LYS 110           HG3      LYS 110  21.263   8.352  17.448
  271    HD2  LYS 110           HD2      LYS 110  19.620  10.313  17.424
  272    HD3  LYS 110           HD3      LYS 110  20.337  10.814  18.972
  273    HE2  LYS 110           HE2      LYS 110  22.599  10.835  17.834
  274    HE3  LYS 110           HE3      LYS 110  21.801  10.431  16.309
  275    HZ1  LYS 110           HZ1      LYS 110  20.448  12.578  16.771
  276    HZ2  LYS 110           HZ2      LYS 110  21.643  12.970  17.822
  277    HZ3  LYS 110           HZ3      LYS 110  21.968  12.731  16.219
  278    H    TRP 111           H        TRP 111  17.624   5.622  18.275
  279    HA   TRP 111           HA       TRP 111  16.828   4.777  21.044
  280    HB2  TRP 111           HB2      TRP 111  15.207   6.202  18.906
  281    HB3  TRP 111           HB3      TRP 111  14.551   5.587  20.417
  282    HD1  TRP 111           HD1      TRP 111  15.836   6.537  22.724
  283    HE1  TRP 111           HE1      TRP 111  16.675   8.893  23.279
  284    HE3  TRP 111           HE3      TRP 111  15.940   8.492  18.007
  285    HZ2  TRP 111           HZ2      TRP 111  17.490  11.260  21.843
  286    HZ3  TRP 111           HZ3      TRP 111  16.861  10.780  17.616
  287    HH2  TRP 111           HH2      TRP 111  17.622  12.167  19.522
  288    H    GLY 112           H        GLY 112  17.386   3.436  18.049
  289    HA2  GLY 112           HA2      GLY 112  17.324   1.091  17.850
  290    HA3  GLY 112           HA3      GLY 112  15.855   0.990  18.797
  291    HA   PRO 113           HA       PRO 113  15.107   1.864  14.068
  292    HB2  PRO 113           HB2      PRO 113  15.410  -0.644  12.835
  293    HB3  PRO 113           HB3      PRO 113  16.610   0.683  12.831
  294    HG2  PRO 113           HG2      PRO 113  16.514  -1.719  14.619
  295    HG3  PRO 113           HG3      PRO 113  17.932  -0.904  13.837
  296    HD2  PRO 113           HD2      PRO 113  17.318  -0.547  16.448
  297    HD3  PRO 113           HD3      PRO 113  17.968   0.778  15.427
  298    H    GLU 114           H        GLU 114  14.274  -1.099  15.925
  299    HA   GLU 114           HA       GLU 114  11.733  -1.499  14.675
  300    HB2  GLU 114           HB2      GLU 114  12.834  -2.337  17.384
  301    HB3  GLU 114           HB3      GLU 114  11.273  -2.878  16.742
  302    HG2  GLU 114           HG2      GLU 114  12.437  -3.855  14.762
  303    HG3  GLU 114           HG3      GLU 114  13.990  -3.381  15.450
  304    H    ALA 115           H        ALA 115  12.729   0.329  17.536
  305    HA   ALA 115           HA       ALA 115  10.091   1.149  18.396
  306    HB1  ALA 115           HB1      ALA 115  12.073   1.239  19.854
  307    HB2  ALA 115           HB2      ALA 115  12.824   2.444  18.793
  308    HB3  ALA 115           HB3      ALA 115  11.346   2.858  19.683
  309    H    VAL 116           H        VAL 116  12.602   2.783  16.388
  310    HA   VAL 116           HA       VAL 116  11.020   5.066  15.749
  311    HB   VAL 116           HB       VAL 116  13.367   3.795  14.321
  312   HG11  VAL 116          HG11      VAL 116  12.119   6.553  13.921
  313   HG12  VAL 116          HG12      VAL 116  13.687   6.033  13.261
  314   HG13  VAL 116          HG13      VAL 116  12.198   5.245  12.720
  315   HG21  VAL 116          HG21      VAL 116  14.648   5.560  15.418
  316   HG22  VAL 116          HG22      VAL 116  13.194   6.210  16.175
  317   HG23  VAL 116          HG23      VAL 116  13.822   4.637  16.663
  318    H    GLU 117           H        GLU 117  11.314   1.927  13.946
  319    HA   GLU 117           HA       GLU 117   9.508   2.798  11.845
  320    HB2  GLU 117           HB2      GLU 117  10.439   0.070  12.805
  321    HB3  GLU 117           HB3      GLU 117   9.250   0.276  11.507
  322    HG2  GLU 117           HG2      GLU 117  10.789   1.606  10.184
  323    HG3  GLU 117           HG3      GLU 117  11.988   1.595  11.465
  324    H    SER 118           H        SER 118   8.954   1.701  15.132
  325    HA   SER 118           HA       SER 118   6.066   1.295  14.755
  326    HB2  SER 118           HB2      SER 118   7.534   1.719  17.363
  327    HB3  SER 118           HB3      SER 118   5.883   1.150  17.098
  328    HG   SER 118           HG       SER 118   8.290  -0.168  16.324
  329    H    TRP 119           H        TRP 119   8.154   4.105  15.313
  330    HA   TRP 119           HA       TRP 119   5.993   5.914  16.069
  331    HB2  TRP 119           HB2      TRP 119   8.616   6.641  14.735
  332    HB3  TRP 119           HB3      TRP 119   7.542   7.701  15.601
  333    HD1  TRP 119           HD1      TRP 119   7.506   5.229  18.041
  334    HE1  TRP 119           HE1      TRP 119   9.391   5.398  19.758
  335    HE3  TRP 119           HE3      TRP 119  10.703   8.366  15.480
  336    HZ2  TRP 119           HZ2      TRP 119  11.976   6.592  19.956
  337    HZ3  TRP 119           HZ3      TRP 119  12.802   9.116  16.557
  338    HH2  TRP 119           HH2      TRP 119  13.477   8.226  18.771
  339    H    ALA 120           H        ALA 120   6.869   4.439  13.058
  340    HA   ALA 120           HA       ALA 120   6.312   6.522  11.252
  341    HB1  ALA 120           HB1      ALA 120   7.471   4.370  10.696
  342    HB2  ALA 120           HB2      ALA 120   5.895   3.552  10.756
  343    HB3  ALA 120           HB3      ALA 120   6.196   4.816   9.544
  344    H    THR 121           H        THR 121   4.538   7.253  10.183
  345    HA   THR 121           HA       THR 121   1.906   5.848  10.327
  346    HB   THR 121           HB       THR 121   0.933   8.272  10.348
  347    HG1  THR 121           HG1      THR 121   3.373   8.669  11.753
  348   HG21  THR 121          HG21      THR 121   2.025   7.075  12.911
  349   HG22  THR 121          HG22      THR 121   0.721   8.283  12.774
  350   HG23  THR 121          HG23      THR 121   0.486   6.655  12.119
  351    H    LEU 122           H        LEU 122   1.235   5.383   8.455
  352    HA   LEU 122           HA       LEU 122   2.288   6.531   5.994
  353    HB2  LEU 122           HB2      LEU 122   0.098   4.557   6.741
  354    HB3  LEU 122           HB3      LEU 122   0.389   5.025   5.061
  355    HG   LEU 122           HG       LEU 122   2.575   3.849   6.830
  356   HD11  LEU 122          HD11      LEU 122   0.731   2.223   6.634
  357   HD12  LEU 122          HD12      LEU 122   0.730   2.415   4.867
  358   HD13  LEU 122          HD13      LEU 122   2.135   1.698   5.692
  359   HD21  LEU 122          HD21      LEU 122   2.260   4.073   3.794
  360   HD22  LEU 122          HD22      LEU 122   3.348   5.062   4.775
  361   HD23  LEU 122          HD23      LEU 122   3.623   3.317   4.633
  362    H    LEU 123           H        LEU 123   1.699   8.434   5.194
  363    HA   LEU 123           HA       LEU 123  -0.814   9.742   5.998
  364    HB2  LEU 123           HB2      LEU 123   1.298  10.620   3.983
  365    HB3  LEU 123           HB3      LEU 123   0.007  11.610   4.647
  366    HG   LEU 123           HG       LEU 123   2.466  10.563   6.108
  367   HD11  LEU 123          HD11      LEU 123   2.913  12.949   6.427
  368   HD12  LEU 123          HD12      LEU 123   2.697  12.601   4.701
  369   HD13  LEU 123          HD13      LEU 123   1.393  13.373   5.615
  370   HD21  LEU 123          HD21      LEU 123   0.015  11.991   7.249
  371   HD22  LEU 123          HD22      LEU 123   0.644  10.392   7.726
  372   HD23  LEU 123          HD23      LEU 123   1.569  11.846   8.091
  373    H    GLY 124           H        GLY 124  -2.351  10.592   4.416
  374    HA2  GLY 124           HA2      GLY 124  -2.512   9.400   1.727
  375    HA3  GLY 124           HA3      GLY 124  -3.649   8.732   2.904
  376    H    HIS 125           H        HIS 125  -2.602  12.135   2.697
  377    HA   HIS 125           HA       HIS 125  -5.275  13.048   1.738
  378    HB2  HIS 125           HB2      HIS 125  -3.985  14.182   4.217
  379    HB3  HIS 125           HB3      HIS 125  -5.524  14.607   3.464
  380    HD1  HIS 125           HD1      HIS 125  -7.254  12.192   3.375
  381    HD2  HIS 125           HD2      HIS 125  -4.309  12.755   6.352
  382    HE1  HIS 125           HE1      HIS 125  -7.925  10.683   5.355
  383    HE2  HIS 125           HE2      HIS 125  -6.119  11.023   7.162
  Start of MODEL    7
    1    H    ALA  79           H1       ALA  79   3.873   0.669   0.376
    2    HA   ALA  79           HA       ALA  79   4.059   0.689  -2.576
    3    HB1  ALA  79           HB1      ALA  79   1.968   2.022  -0.766
    4    HB2  ALA  79           HB2      ALA  79   2.035   2.107  -2.539
    5    HB3  ALA  79           HB3      ALA  79   1.703   0.568  -1.752
    6    H    ARG  80           H        ARG  80   3.893   3.141  -3.297
    7    HA   ARG  80           HA       ARG  80   6.367   4.410  -2.400
    8    HB2  ARG  80           HB2      ARG  80   4.350   5.250  -4.485
    9    HB3  ARG  80           HB3      ARG  80   5.941   5.981  -4.167
   10    HG2  ARG  80           HG2      ARG  80   7.044   3.812  -4.564
   11    HG3  ARG  80           HG3      ARG  80   5.488   3.087  -5.002
   12    HD2  ARG  80           HD2      ARG  80   5.237   4.728  -6.847
   13    HD3  ARG  80           HD3      ARG  80   6.811   5.437  -6.424
   14    HE   ARG  80           HE       ARG  80   7.200   2.656  -6.842
   15   HH11  ARG  80          HH11      ARG  80   6.360   5.434  -8.804
   16   HH12  ARG  80          HH12      ARG  80   7.045   4.741 -10.247
   17   HH21  ARG  80          HH21      ARG  80   8.051   1.823  -8.720
   18   HH22  ARG  80          HH22      ARG  80   7.977   2.746 -10.192
   19    H    LYS  81           H        LYS  81   3.328   4.672  -1.077
   20    HA   LYS  81           HA       LYS  81   2.875   7.344  -0.461
   21    HB2  LYS  81           HB2      LYS  81   2.392   4.790   1.136
   22    HB3  LYS  81           HB3      LYS  81   1.856   6.385   1.706
   23    HG2  LYS  81           HG2      LYS  81   0.510   6.714  -0.324
   24    HG3  LYS  81           HG3      LYS  81   1.027   5.135  -0.949
   25    HD2  LYS  81           HD2      LYS  81  -0.033   4.016   1.005
   26    HD3  LYS  81           HD3      LYS  81  -0.541   5.597   1.632
   27    HE2  LYS  81           HE2      LYS  81  -1.860   5.997  -0.439
   28    HE3  LYS  81           HE3      LYS  81  -1.354   4.424  -1.069
   29    HZ1  LYS  81           HZ1      LYS  81  -3.558   4.294  -0.038
   30    HZ2  LYS  81           HZ2      LYS  81  -2.520   3.367   0.808
   31    HZ3  LYS  81           HZ3      LYS  81  -2.984   4.819   1.396
   32    H    VAL  82           H        VAL  82   3.216   8.643   1.284
   33    HA   VAL  82           HA       VAL  82   5.965   8.741   2.308
   34    HB   VAL  82           HB       VAL  82   3.511  10.485   2.756
   35   HG11  VAL  82          HG11      VAL  82   5.112  12.206   3.633
   36   HG12  VAL  82          HG12      VAL  82   4.895  10.834   4.721
   37   HG13  VAL  82          HG13      VAL  82   6.368  10.957   3.711
   38   HG21  VAL  82          HG21      VAL  82   4.684  12.079   1.296
   39   HG22  VAL  82          HG22      VAL  82   6.064  10.972   1.152
   40   HG23  VAL  82          HG23      VAL  82   4.485  10.546   0.450
   41    H    LYS  83           H        LYS  83   6.672   8.366   4.347
   42    HA   LYS  83           HA       LYS  83   4.731   7.550   6.487
   43    HB2  LYS  83           HB2      LYS  83   7.617   6.726   5.966
   44    HB3  LYS  83           HB3      LYS  83   6.862   6.592   7.567
   45    HG2  LYS  83           HG2      LYS  83   5.098   5.162   6.689
   46    HG3  LYS  83           HG3      LYS  83   5.789   5.248   5.057
   47    HD2  LYS  83           HD2      LYS  83   7.792   4.091   5.748
   48    HD3  LYS  83           HD3      LYS  83   7.372   4.242   7.467
   49    HE2  LYS  83           HE2      LYS  83   5.451   2.767   7.207
   50    HE3  LYS  83           HE3      LYS  83   5.696   2.676   5.450
   51    HZ1  LYS  83           HZ1      LYS  83   7.618   1.637   7.490
   52    HZ2  LYS  83           HZ2      LYS  83   6.619   0.720   6.580
   53    HZ3  LYS  83           HZ3      LYS  83   7.826   1.549   5.866
   54    H    GLN  84           H        GLN  84   4.437   9.021   7.937
   55    HA   GLN  84           HA       GLN  84   6.390  11.200   8.484
   56    HB2  GLN  84           HB2      GLN  84   3.948  11.690   8.224
   57    HB3  GLN  84           HB3      GLN  84   3.594  10.611   9.569
   58    HG2  GLN  84           HG2      GLN  84   4.902  12.107  11.089
   59    HG3  GLN  84           HG3      GLN  84   5.267  13.167   9.722
   60   HE21  GLN  84          HE22      GLN  84   3.462  14.489   8.784
   61   HE22  GLN  84          HE21      GLN  84   2.008  14.679   9.756
   62    H    TYR  85           H        TYR  85   7.367  11.356  10.505
   63    HA   TYR  85           HA       TYR  85   7.026   9.146  12.493
   64    HB2  TYR  85           HB2      TYR  85   9.679  10.237  11.469
   65    HB3  TYR  85           HB3      TYR  85   9.493   9.183  12.848
   66    HD1  TYR  85           HD2      TYR  85   9.042   9.331   9.121
   67    HD2  TYR  85           HD1      TYR  85   9.558   6.848  12.609
   68    HE1  TYR  85           HE2      TYR  85   9.428   7.353   7.660
   69    HE2  TYR  85           HE1      TYR  85   9.997   4.885  11.161
   70    HH   TYR  85           HH       TYR  85  10.142   4.100   8.969
   71    H    LYS  86           H        LYS  86   7.402   9.826  14.629
   72    HA   LYS  86           HA       LYS  86   8.045  12.699  15.134
   73    HB2  LYS  86           HB2      LYS  86   5.594  12.366  15.240
   74    HB3  LYS  86           HB3      LYS  86   5.820  11.061  16.425
   75    HG2  LYS  86           HG2      LYS  86   6.708  12.637  18.068
   76    HG3  LYS  86           HG3      LYS  86   6.666  13.953  16.885
   77    HD2  LYS  86           HD2      LYS  86   4.190  13.732  16.733
   78    HD3  LYS  86           HD3      LYS  86   4.245  12.433  17.947
   79    HE2  LYS  86           HE2      LYS  86   5.258  14.014  19.583
   80    HE3  LYS  86           HE3      LYS  86   5.214  15.302  18.373
   81    HZ1  LYS  86           HZ1      LYS  86   2.810  13.924  19.477
   82    HZ2  LYS  86           HZ2      LYS  86   3.295  15.435  19.866
   83    HZ3  LYS  86           HZ3      LYS  86   2.772  15.111  18.354
   84    H    ASN  87           H        ASN  87   9.273  13.076  16.927
   85    HA   ASN  87           HA       ASN  87  10.366  10.664  18.361
   86    HB2  ASN  87           HB2      ASN  87  11.861  11.657  16.686
   87    HB3  ASN  87           HB3      ASN  87  11.844  13.185  17.570
   88   HD21  ASN  87          HD22      ASN  87  14.257  12.110  17.163
   89   HD22  ASN  87          HD21      ASN  87  14.858  11.327  18.620
   90    HA   PRO  88           HA       PRO  88   8.287  12.942  21.798
   91    HB2  PRO  88           HB2      PRO  88   9.217  10.314  22.974
   92    HB3  PRO  88           HB3      PRO  88   7.727  11.241  23.349
   93    HG2  PRO  88           HG2      PRO  88   7.613   9.142  21.642
   94    HG3  PRO  88           HG3      PRO  88   6.746  10.660  21.247
   95    HD2  PRO  88           HD2      PRO  88   9.359   9.636  20.154
   96    HD3  PRO  88           HD3      PRO  88   8.033  10.515  19.324
   97    H    HIS  89           H        HIS  89  11.581  11.627  21.643
   98    HA   HIS  89           HA       HIS  89  12.528  12.650  24.159
   99    HB2  HIS  89           HB2      HIS  89  14.136  12.073  21.632
  100    HB3  HIS  89           HB3      HIS  89  14.761  12.206  23.268
  101    HD1  HIS  89           HD1      HIS  89  13.156   9.732  20.946
  102    HD2  HIS  89           HD2      HIS  89  13.945  10.222  25.068
  103    HE1  HIS  89           HE1      HIS  89  12.822   7.396  22.059
  104    HE2  HIS  89           HE2      HIS  89  13.307   7.726  24.563
  105    H    THR  90           H        THR  90  12.187  14.209  21.011
  106    HA   THR  90           HA       THR  90  13.268  16.771  22.148
  107    HB   THR  90           HB       THR  90  14.066  17.303  19.922
  108    HG1  THR  90           HG1      THR  90  13.854  15.894  18.267
  109   HG21  THR  90          HG21      THR  90  15.555  15.869  21.377
  110   HG22  THR  90          HG22      THR  90  14.902  14.433  20.547
  111   HG23  THR  90          HG23      THR  90  15.831  15.639  19.639
  112    H    GLY  91           H        GLY  91  10.544  15.277  20.601
  113    HA2  GLY  91           HA2      GLY  91   8.404  16.212  20.307
  114    HA3  GLY  91           HA3      GLY  91   9.071  17.842  20.432
  115    H    GLU  92           H        GLU  92  11.115  16.183  18.351
  116    HA   GLU  92           HA       GLU  92  10.329  17.608  16.023
  117    HB2  GLU  92           HB2      GLU  92  12.278  15.423  16.690
  118    HB3  GLU  92           HB3      GLU  92  11.849  15.605  15.003
  119    HG2  GLU  92           HG2      GLU  92  12.527  17.716  14.773
  120    HG3  GLU  92           HG3      GLU  92  12.583  18.065  16.522
  121    H    VAL  93           H        VAL  93   9.546  17.046  14.064
  122    HA   VAL  93           HA       VAL  93   8.399  14.358  13.583
  123    HB   VAL  93           HB       VAL  93   7.239  17.031  12.773
  124   HG11  VAL  93          HG11      VAL  93   6.642  15.223  11.172
  125   HG12  VAL  93          HG12      VAL  93   6.067  14.219  12.525
  126   HG13  VAL  93          HG13      VAL  93   5.226  15.723  12.098
  127   HG21  VAL  93          HG21      VAL  93   6.951  16.797  15.133
  128   HG22  VAL  93          HG22      VAL  93   5.385  16.570  14.342
  129   HG23  VAL  93          HG23      VAL  93   6.284  15.153  14.946
  130    H    ILE  94           H        ILE  94   8.739  13.594  11.532
  131    HA   ILE  94           HA       ILE  94   9.844  15.301   9.397
  132    HB   ILE  94           HB       ILE  94  11.566  13.623   8.808
  133   HG12  ILE  94          HG12      ILE  94  10.946  12.361  11.503
  134   HG13  ILE  94          HG13      ILE  94  10.610  11.660   9.923
  135   HG21  ILE  94          HG21      ILE  94  12.089  15.691  10.073
  136   HG22  ILE  94          HG22      ILE  94  12.041  14.758  11.584
  137   HG23  ILE  94          HG23      ILE  94  13.251  14.389  10.334
  138   HD11  ILE  94          HD11      ILE  94  13.376  12.198  11.057
  139   HD12  ILE  94          HD12      ILE  94  12.575  10.632  10.870
  140   HD13  ILE  94          HD13      ILE  94  13.016  11.557   9.424
  141    H    GLU  95           H        GLU  95   9.816  14.233   7.347
  142    HA   GLU  95           HA       GLU  95   7.970  11.925   6.998
  143    HB2  GLU  95           HB2      GLU  95   7.680  14.708   5.808
  144    HB3  GLU  95           HB3      GLU  95   6.981  13.281   5.024
  145    HG2  GLU  95           HG2      GLU  95   5.603  12.786   6.927
  146    HG3  GLU  95           HG3      GLU  95   6.388  14.034   7.898
  147    H    THR  96           H        THR  96   8.529  10.558   5.437
  148    HA   THR  96           HA       THR  96  10.259  11.342   3.172
  149    HB   THR  96           HB       THR  96  11.974  10.817   4.705
  150    HG1  THR  96           HG1      THR  96  12.890   9.062   3.691
  151   HG21  THR  96          HG21      THR  96  12.139   8.643   5.910
  152   HG22  THR  96          HG22      THR  96  10.812   9.648   6.513
  153   HG23  THR  96          HG23      THR  96  10.463   8.269   5.439
  154    H    LYS  97           H        LYS  97  10.334   9.689   1.495
  155    HA   LYS  97           HA       LYS  97   7.918   7.936   1.385
  156    HB2  LYS  97           HB2      LYS  97  10.048   8.654  -0.677
  157    HB3  LYS  97           HB3      LYS  97   8.716   7.531  -0.974
  158    HG2  LYS  97           HG2      LYS  97   7.070   9.307  -0.453
  159    HG3  LYS  97           HG3      LYS  97   8.394  10.462  -0.214
  160    HD2  LYS  97           HD2      LYS  97   9.130  10.110  -2.562
  161    HD3  LYS  97           HD3      LYS  97   7.784   8.964  -2.804
  162    HE2  LYS  97           HE2      LYS  97   6.157  10.767  -2.286
  163    HE3  LYS  97           HE3      LYS  97   7.489  11.904  -2.017
  164    HZ1  LYS  97           HZ1      LYS  97   6.580  12.137  -4.253
  165    HZ2  LYS  97           HZ2      LYS  97   8.118  11.613  -4.364
  166    HZ3  LYS  97           HZ3      LYS  97   6.886  10.571  -4.610
  167    H    GLY  98           H        GLY  98  10.975   7.582   2.644
  168    HA2  GLY  98           HA2      GLY  98  11.409   5.448   3.743
  169    HA3  GLY  98           HA3      GLY  98  10.914   4.596   2.285
  170    H    GLY  99           H        GLY  99  12.781   7.227   1.308
  171    HA2  GLY  99           HA2      GLY  99  15.105   5.628   0.611
  172    HA3  GLY  99           HA3      GLY  99  14.885   7.355   0.346
  173    H    ASN 100           H        ASN 100  17.323   6.815   0.952
  174    HA   ASN 100           HA       ASN 100  18.039   6.590   3.721
  175    HB2  ASN 100           HB2      ASN 100  19.500   5.915   1.843
  176    HB3  ASN 100           HB3      ASN 100  19.620   7.597   1.321
  177   HD21  ASN 100          HD22      ASN 100  21.973   7.332   1.569
  178   HD22  ASN 100          HD21      ASN 100  22.666   7.446   3.177
  179    H    HIS 101           H        HIS 101  16.678   8.120   4.757
  180    HA   HIS 101           HA       HIS 101  17.300  11.023   4.424
  181    HB2  HIS 101           HB2      HIS 101  14.960  10.146   4.270
  182    HB3  HIS 101           HB3      HIS 101  15.047   9.657   5.962
  183    HD1  HIS 101           HD1      HIS 101  14.918  11.689   7.764
  184    HD2  HIS 101           HD2      HIS 101  14.767  12.761   3.694
  185    HE1  HIS 101           HE1      HIS 101  14.436  14.230   7.710
  186    HE2  HIS 101           HE2      HIS 101  14.278  14.856   5.210
  187    H    LYS 102           H        LYS 102  19.244  11.253   5.494
  188    HA   LYS 102           HA       LYS 102  20.390   9.938   7.529
  189    HB2  LYS 102           HB2      LYS 102  21.426  11.709   6.167
  190    HB3  LYS 102           HB3      LYS 102  20.523  12.942   7.040
  191    HG2  LYS 102           HG2      LYS 102  22.801  12.927   7.783
  192    HG3  LYS 102           HG3      LYS 102  21.774  12.416   9.114
  193    HD2  LYS 102           HD2      LYS 102  22.435  10.057   8.752
  194    HD3  LYS 102           HD3      LYS 102  23.367  10.537   7.312
  195    HE2  LYS 102           HE2      LYS 102  24.769  12.031   8.766
  196    HE3  LYS 102           HE3      LYS 102  23.895  11.454  10.184
  197    HZ1  LYS 102           HZ1      LYS 102  25.533   9.738   8.376
  198    HZ2  LYS 102           HZ2      LYS 102  25.979  10.235   9.863
  199    HZ3  LYS 102           HZ3      LYS 102  24.728   9.197   9.696
  200    H    THR 103           H        THR 103  18.194  12.685   8.287
  201    HA   THR 103           HA       THR 103  18.462  12.633  11.086
  202    HB   THR 103           HB       THR 103  15.810  13.115   9.676
  203    HG1  THR 103           HG1      THR 103  17.910  15.007   9.884
  204   HG21  THR 103          HG21      THR 103  17.093  14.444  12.098
  205   HG22  THR 103          HG22      THR 103  15.577  14.955  11.316
  206   HG23  THR 103          HG23      THR 103  15.677  13.368  12.091
  207    H    LEU 104           H        LEU 104  16.495  10.458   9.069
  208    HA   LEU 104           HA       LEU 104  15.046   9.255  11.338
  209    HB2  LEU 104           HB2      LEU 104  14.099   9.367   9.011
  210    HB3  LEU 104           HB3      LEU 104  15.430   8.371   8.427
  211    HG   LEU 104           HG       LEU 104  14.655   6.502   9.893
  212   HD11  LEU 104          HD11      LEU 104  12.395   6.591  10.842
  213   HD12  LEU 104          HD12      LEU 104  13.425   7.794  11.626
  214   HD13  LEU 104          HD13      LEU 104  12.242   8.296  10.397
  215   HD21  LEU 104          HD21      LEU 104  13.940   6.684   7.518
  216   HD22  LEU 104          HD22      LEU 104  12.731   5.894   8.545
  217   HD23  LEU 104          HD23      LEU 104  12.497   7.581   8.049
  218    H    LYS 105           H        LYS 105  17.830   8.409   9.197
  219    HA   LYS 105           HA       LYS 105  18.515   5.953  10.402
  220    HB2  LYS 105           HB2      LYS 105  19.445   7.167   8.288
  221    HB3  LYS 105           HB3      LYS 105  20.586   7.940   9.424
  222    HG2  LYS 105           HG2      LYS 105  21.390   5.710  10.125
  223    HG3  LYS 105           HG3      LYS 105  20.222   4.939   9.028
  224    HD2  LYS 105           HD2      LYS 105  21.348   5.996   7.077
  225    HD3  LYS 105           HD3      LYS 105  22.452   6.840   8.166
  226    HE2  LYS 105           HE2      LYS 105  23.667   5.004   7.297
  227    HE3  LYS 105           HE3      LYS 105  23.311   4.622   8.980
  228    HZ1  LYS 105           HZ1      LYS 105  21.506   3.156   8.193
  229    HZ2  LYS 105           HZ2      LYS 105  21.799   3.559   6.632
  230    HZ3  LYS 105           HZ3      LYS 105  22.905   2.722   7.486
  231    H    GLU 106           H        GLU 106  19.609   9.234  11.297
  232    HA   GLU 106           HA       GLU 106  21.153   8.483  13.520
  233    HB2  GLU 106           HB2      GLU 106  19.611  10.987  12.808
  234    HB3  GLU 106           HB3      GLU 106  20.284  10.817  14.435
  235    HG2  GLU 106           HG2      GLU 106  22.507  10.373  13.498
  236    HG3  GLU 106           HG3      GLU 106  21.856  10.594  11.853
  237    H    TRP 107           H        TRP 107  17.634   9.180  13.424
  238    HA   TRP 107           HA       TRP 107  17.201   8.679  16.208
  239    HB2  TRP 107           HB2      TRP 107  15.274   8.380  13.877
  240    HB3  TRP 107           HB3      TRP 107  14.826   8.352  15.574
  241    HD1  TRP 107           HD1      TRP 107  17.316  11.011  15.317
  242    HE1  TRP 107           HE1      TRP 107  16.261  13.318  15.078
  243    HE3  TRP 107           HE3      TRP 107  12.528   9.601  14.115
  244    HZ2  TRP 107           HZ2      TRP 107  13.725  14.420  14.400
  245    HZ3  TRP 107           HZ3      TRP 107  10.794  11.342  13.715
  246    HH2  TRP 107           HH2      TRP 107  11.390  13.764  13.836
  247    H    LYS 108           H        LYS 108  17.151   6.402  13.443
  248    HA   LYS 108           HA       LYS 108  16.342   4.056  14.958
  249    HB2  LYS 108           HB2      LYS 108  18.011   4.281  12.400
  250    HB3  LYS 108           HB3      LYS 108  17.321   2.769  13.056
  251    HG2  LYS 108           HG2      LYS 108  15.039   3.732  12.817
  252    HG3  LYS 108           HG3      LYS 108  15.712   5.191  12.137
  253    HD2  LYS 108           HD2      LYS 108  15.455   4.243  10.109
  254    HD3  LYS 108           HD3      LYS 108  16.861   3.242  10.501
  255    HE2  LYS 108           HE2      LYS 108  15.275   1.590  11.578
  256    HE3  LYS 108           HE3      LYS 108  13.921   2.590  11.048
  257    HZ1  LYS 108           HZ1      LYS 108  14.630   2.166   8.722
  258    HZ2  LYS 108           HZ2      LYS 108  15.848   1.196   9.234
  259    HZ3  LYS 108           HZ3      LYS 108  14.282   0.775   9.511
  260    H    ALA 109           H        ALA 109  19.525   5.481  14.292
  261    HA   ALA 109           HA       ALA 109  21.041   3.413  15.637
  262    HB1  ALA 109           HB1      ALA 109  21.733   6.317  14.999
  263    HB2  ALA 109           HB2      ALA 109  22.885   5.038  15.451
  264    HB3  ALA 109           HB3      ALA 109  21.983   4.923  13.927
  265    H    LYS 110           H        LYS 110  19.705   6.533  16.711
  266    HA   LYS 110           HA       LYS 110  20.929   6.440  19.358
  267    HB2  LYS 110           HB2      LYS 110  18.846   8.242  18.087
  268    HB3  LYS 110           HB3      LYS 110  19.454   8.480  19.727
  269    HG2  LYS 110           HG2      LYS 110  21.724   8.828  18.945
  270    HG3  LYS 110           HG3      LYS 110  21.296   8.373  17.295
  271    HD2  LYS 110           HD2      LYS 110  19.650  10.342  17.291
  272    HD3  LYS 110           HD3      LYS 110  20.400  10.855  18.816
  273    HE2  LYS 110           HE2      LYS 110  22.639  10.855  17.635
  274    HE3  LYS 110           HE3      LYS 110  21.816  10.437  16.129
  275    HZ1  LYS 110           HZ1      LYS 110  21.998  12.744  16.018
  276    HZ2  LYS 110           HZ2      LYS 110  20.479  12.600  16.581
  277    HZ3  LYS 110           HZ3      LYS 110  21.684  12.991  17.619
  278    H    TRP 111           H        TRP 111  17.683   5.628  18.212
  279    HA   TRP 111           HA       TRP 111  16.930   4.802  21.000
  280    HB2  TRP 111           HB2      TRP 111  15.275   6.237  18.894
  281    HB3  TRP 111           HB3      TRP 111  14.649   5.622  20.421
  282    HD1  TRP 111           HD1      TRP 111  16.037   6.541  22.694
  283    HE1  TRP 111           HE1      TRP 111  16.909   8.889  23.244
  284    HE3  TRP 111           HE3      TRP 111  15.936   8.555  18.000
  285    HZ2  TRP 111           HZ2      TRP 111  17.659  11.273  21.800
  286    HZ3  TRP 111           HZ3      TRP 111  16.846  10.850  17.601
  287    HH2  TRP 111           HH2      TRP 111  17.692  12.210  19.490
  288    H    GLY 112           H        GLY 112  17.434   3.437  18.002
  289    HA2  GLY 112           HA2      GLY 112  17.344   1.088  17.834
  290    HA3  GLY 112           HA3      GLY 112  15.886   1.016  18.805
  291    HA   PRO 113           HA       PRO 113  15.069   1.854  14.078
  292    HB2  PRO 113           HB2      PRO 113  15.338  -0.666  12.864
  293    HB3  PRO 113           HB3      PRO 113  16.535   0.653  12.823
  294    HG2  PRO 113           HG2      PRO 113  16.469  -1.728  14.640
  295    HG3  PRO 113           HG3      PRO 113  17.874  -0.927  13.820
  296    HD2  PRO 113           HD2      PRO 113  17.312  -0.544  16.436
  297    HD3  PRO 113           HD3      PRO 113  17.948   0.773  15.396
  298    H    GLU 114           H        GLU 114  14.250  -1.085  15.976
  299    HA   GLU 114           HA       GLU 114  11.700  -1.490  14.742
  300    HB2  GLU 114           HB2      GLU 114  12.807  -2.318  17.454
  301    HB3  GLU 114           HB3      GLU 114  11.252  -2.866  16.811
  302    HG2  GLU 114           HG2      GLU 114  12.418  -3.854  14.843
  303    HG3  GLU 114           HG3      GLU 114  13.972  -3.380  15.528
  304    H    ALA 115           H        ALA 115  12.719   0.350  17.592
  305    HA   ALA 115           HA       ALA 115  10.081   1.181  18.456
  306    HB1  ALA 115           HB1      ALA 115  12.825   2.451  18.842
  307    HB2  ALA 115           HB2      ALA 115  11.348   2.912  19.709
  308    HB3  ALA 115           HB3      ALA 115  12.036   1.285  19.927
  309    H    VAL 116           H        VAL 116  12.588   2.793  16.427
  310    HA   VAL 116           HA       VAL 116  11.010   5.085  15.788
  311    HB   VAL 116           HB       VAL 116  13.337   3.797  14.346
  312   HG11  VAL 116          HG11      VAL 116  12.110   6.566  13.966
  313   HG12  VAL 116          HG12      VAL 116  13.665   6.037  13.296
  314   HG13  VAL 116          HG13      VAL 116  12.159   5.272  12.756
  315   HG21  VAL 116          HG21      VAL 116  14.647   5.546  15.442
  316   HG22  VAL 116          HG22      VAL 116  13.211   6.207  16.214
  317   HG23  VAL 116          HG23      VAL 116  13.823   4.630  16.690
  318    H    GLU 117           H        GLU 117  11.274   1.933  14.002
  319    HA   GLU 117           HA       GLU 117   9.474   2.804  11.900
  320    HB2  GLU 117           HB2      GLU 117  10.367   0.068  12.899
  321    HB3  GLU 117           HB3      GLU 117   9.193   0.273  11.590
  322    HG2  GLU 117           HG2      GLU 117  10.760   1.563  10.257
  323    HG3  GLU 117           HG3      GLU 117  11.954   1.556  11.551
  324    H    SER 118           H        SER 118   8.925   1.685  15.189
  325    HA   SER 118           HA       SER 118   6.030   1.301  14.833
  326    HB2  SER 118           HB2      SER 118   7.526   1.730  17.420
  327    HB3  SER 118           HB3      SER 118   5.866   1.177  17.175
  328    HG   SER 118           HG       SER 118   8.247  -0.174  16.391
  329    H    TRP 119           H        TRP 119   8.136   4.111  15.361
  330    HA   TRP 119           HA       TRP 119   5.976   5.922  16.123
  331    HB2  TRP 119           HB2      TRP 119   8.601   6.636  14.788
  332    HB3  TRP 119           HB3      TRP 119   7.515   7.706  15.635
  333    HD1  TRP 119           HD1      TRP 119   7.450   5.287  18.104
  334    HE1  TRP 119           HE1      TRP 119   9.313   5.477  19.843
  335    HE3  TRP 119           HE3      TRP 119  10.704   8.348  15.522
  336    HZ2  TRP 119           HZ2      TRP 119  11.925   6.628  20.036
  337    HZ3  TRP 119           HZ3      TRP 119  12.807   9.080  16.607
  338    HH2  TRP 119           HH2      TRP 119  13.451   8.215  18.833
  339    H    ALA 120           H        ALA 120   6.835   4.436  13.115
  340    HA   ALA 120           HA       ALA 120   6.294   6.547  11.331
  341    HB1  ALA 120           HB1      ALA 120   5.904   3.581  10.767
  342    HB2  ALA 120           HB2      ALA 120   6.236   4.873   9.594
  343    HB3  ALA 120           HB3      ALA 120   7.479   4.406  10.773
  344    H    THR 121           H        THR 121   4.528   7.284  10.256
  345    HA   THR 121           HA       THR 121   1.949   5.771  10.230
  346    HB   THR 121           HB       THR 121   0.917   8.188  10.186
  347    HG1  THR 121           HG1      THR 121   1.958   9.573  11.665
  348   HG21  THR 121          HG21      THR 121   1.791   6.930  12.808
  349   HG22  THR 121          HG22      THR 121   0.433   8.056  12.568
  350   HG23  THR 121          HG23      THR 121   0.374   6.448  11.837
  351    H    LEU 122           H        LEU 122   1.411   5.279   8.328
  352    HA   LEU 122           HA       LEU 122   2.426   6.467   5.900
  353    HB2  LEU 122           HB2      LEU 122   0.125   4.616   6.622
  354    HB3  LEU 122           HB3      LEU 122   0.437   5.090   4.951
  355    HG   LEU 122           HG       LEU 122   2.535   3.741   6.707
  356   HD11  LEU 122          HD11      LEU 122   0.587   2.247   6.498
  357   HD12  LEU 122          HD12      LEU 122   0.595   2.458   4.735
  358   HD13  LEU 122          HD13      LEU 122   1.953   1.637   5.549
  359   HD21  LEU 122          HD21      LEU 122   3.558   3.163   4.514
  360   HD22  LEU 122          HD22      LEU 122   2.253   4.014   3.670
  361   HD23  LEU 122          HD23      LEU 122   3.402   4.919   4.672
  362    H    LEU 123           H        LEU 123   1.717   8.198   4.788
  363    HA   LEU 123           HA       LEU 123  -0.742   9.612   5.712
  364    HB2  LEU 123           HB2      LEU 123   1.438  10.559   3.813
  365    HB3  LEU 123           HB3      LEU 123   0.129  11.523   4.485
  366    HG   LEU 123           HG       LEU 123   2.545  10.402   5.973
  367   HD11  LEU 123          HD11      LEU 123   1.507  13.238   5.540
  368   HD12  LEU 123          HD12      LEU 123   2.995  12.768   6.381
  369   HD13  LEU 123          HD13      LEU 123   2.836  12.477   4.643
  370   HD21  LEU 123          HD21      LEU 123   0.655  10.191   7.520
  371   HD22  LEU 123          HD22      LEU 123   1.595  11.607   7.978
  372   HD23  LEU 123          HD23      LEU 123   0.070  11.818   7.093
  373    H    GLY 124           H        GLY 124  -2.174  10.546   4.074
  374    HA2  GLY 124           HA2      GLY 124  -2.229   9.386   1.355
  375    HA3  GLY 124           HA3      GLY 124  -3.485   8.819   2.461
  376    H    HIS 125           H        HIS 125  -2.186  12.127   2.361
  377    HA   HIS 125           HA       HIS 125  -4.730  13.430   2.259
  378    HB2  HIS 125           HB2      HIS 125  -2.873  14.430   3.280
  379    HB3  HIS 125           HB3      HIS 125  -1.942  14.457   1.767
  380    HD1  HIS 125           HD1      HIS 125  -4.939  16.216   3.448
  381    HD2  HIS 125           HD2      HIS 125  -2.426  16.446   0.062
  382    HE1  HIS 125           HE1      HIS 125  -5.439  18.486   2.329
  383    HE2  HIS 125           HE2      HIS 125  -3.905  18.616   0.261
  Start of MODEL    8
    1    H    ALA  79           H1       ALA  79   3.066   0.331  -0.613
    2    HA   ALA  79           HA       ALA  79   5.021   0.336  -2.828
    3    HB1  ALA  79           HB1      ALA  79   2.702   0.504  -3.693
    4    HB2  ALA  79           HB2      ALA  79   2.379   1.879  -2.619
    5    HB3  ALA  79           HB3      ALA  79   3.566   2.025  -3.930
    6    H    ARG  80           H        ARG  80   5.707   2.735  -3.271
    7    HA   ARG  80           HA       ARG  80   7.116   3.643  -0.877
    8    HB2  ARG  80           HB2      ARG  80   7.190   4.657  -3.719
    9    HB3  ARG  80           HB3      ARG  80   8.249   5.137  -2.371
   10    HG2  ARG  80           HG2      ARG  80   8.962   2.805  -2.056
   11    HG3  ARG  80           HG3      ARG  80   8.019   2.319  -3.485
   12    HD2  ARG  80           HD2      ARG  80   9.349   3.854  -4.894
   13    HD3  ARG  80           HD3      ARG  80  10.311   4.323  -3.477
   14    HE   ARG  80           HE       ARG  80  10.424   1.503  -3.677
   15   HH11  ARG  80          HH11      ARG  80  11.588   4.229  -5.554
   16   HH12  ARG  80          HH12      ARG  80  12.917   3.323  -6.220
   17   HH21  ARG  80          HH21      ARG  80  12.150   0.409  -4.557
   18   HH22  ARG  80          HH22      ARG  80  13.224   1.218  -5.661
   19    H    LYS  81           H        LYS  81   4.486   4.063  -0.281
   20    HA   LYS  81           HA       LYS  81   3.691   6.900  -0.517
   21    HB2  LYS  81           HB2      LYS  81   2.741   4.456   1.012
   22    HB3  LYS  81           HB3      LYS  81   2.364   6.044   1.673
   23    HG2  LYS  81           HG2      LYS  81   0.519   5.318   0.345
   24    HG3  LYS  81           HG3      LYS  81   1.269   6.725  -0.413
   25    HD2  LYS  81           HD2      LYS  81   2.359   5.266  -2.103
   26    HD3  LYS  81           HD3      LYS  81   1.753   3.838  -1.254
   27    HE2  LYS  81           HE2      LYS  81   0.320   4.145  -3.124
   28    HE3  LYS  81           HE3      LYS  81  -0.601   4.602  -1.692
   29    HZ1  LYS  81           HZ1      LYS  81  -0.190   6.950  -2.252
   30    HZ2  LYS  81           HZ2      LYS  81   0.714   6.525  -3.557
   31    HZ3  LYS  81           HZ3      LYS  81  -0.880   6.197  -3.518
   32    H    VAL  82           H        VAL  82   3.606   8.343   1.190
   33    HA   VAL  82           HA       VAL  82   6.198   8.703   2.463
   34    HB   VAL  82           HB       VAL  82   3.612  10.272   2.772
   35   HG11  VAL  82          HG11      VAL  82   5.120  12.094   3.643
   36   HG12  VAL  82          HG12      VAL  82   4.966  10.732   4.747
   37   HG13  VAL  82          HG13      VAL  82   6.436  10.909   3.755
   38   HG21  VAL  82          HG21      VAL  82   6.161  10.872   1.196
   39   HG22  VAL  82          HG22      VAL  82   4.620  10.344   0.480
   40   HG23  VAL  82          HG23      VAL  82   4.722  11.907   1.296
   41    H    LYS  83           H        LYS  83   6.870   8.167   4.413
   42    HA   LYS  83           HA       LYS  83   4.943   7.345   6.565
   43    HB2  LYS  83           HB2      LYS  83   7.875   6.663   6.081
   44    HB3  LYS  83           HB3      LYS  83   7.106   6.528   7.677
   45    HG2  LYS  83           HG2      LYS  83   5.421   4.982   6.797
   46    HG3  LYS  83           HG3      LYS  83   6.177   5.045   5.191
   47    HD2  LYS  83           HD2      LYS  83   8.227   4.062   6.045
   48    HD3  LYS  83           HD3      LYS  83   7.660   4.188   7.724
   49    HE2  LYS  83           HE2      LYS  83   5.877   2.592   7.336
   50    HE3  LYS  83           HE3      LYS  83   6.264   2.505   5.606
   51    HZ1  LYS  83           HZ1      LYS  83   8.136   1.632   7.784
   52    HZ2  LYS  83           HZ2      LYS  83   7.237   0.630   6.856
   53    HZ3  LYS  83           HZ3      LYS  83   8.419   1.524   6.175
   54    H    GLN  84           H        GLN  84   4.521   8.870   7.903
   55    HA   GLN  84           HA       GLN  84   6.336  11.159   8.493
   56    HB2  GLN  84           HB2      GLN  84   4.000  11.678   8.188
   57    HB3  GLN  84           HB3      GLN  84   3.497  10.346   9.214
   58    HG2  GLN  84           HG2      GLN  84   4.499  11.534  11.200
   59    HG3  GLN  84           HG3      GLN  84   4.897  12.890  10.134
   60   HE21  GLN  84          HE22      GLN  84   2.077  10.773  11.032
   61   HE22  GLN  84          HE21      GLN  84   0.928  12.112  11.076
   62    H    TYR  85           H        TYR  85   7.326  11.343  10.491
   63    HA   TYR  85           HA       TYR  85   6.974   9.173  12.524
   64    HB2  TYR  85           HB2      TYR  85   9.643  10.263  11.563
   65    HB3  TYR  85           HB3      TYR  85   9.415   9.165  12.897
   66    HD1  TYR  85           HD1      TYR  85   9.162   9.463   9.175
   67    HD2  TYR  85           HD2      TYR  85   9.353   6.827  12.585
   68    HE1  TYR  85           HE1      TYR  85   9.658   7.537   7.676
   69    HE2  TYR  85           HE2      TYR  85   9.869   4.909  11.095
   70    HH   TYR  85           HH       TYR  85  10.325   4.255   8.943
   71    H    LYS  86           H        LYS  86   7.438   9.855  14.651
   72    HA   LYS  86           HA       LYS  86   8.029  12.736  15.137
   73    HB2  LYS  86           HB2      LYS  86   5.584  12.397  15.279
   74    HB3  LYS  86           HB3      LYS  86   5.824  11.086  16.452
   75    HG2  LYS  86           HG2      LYS  86   6.723  12.663  18.097
   76    HG3  LYS  86           HG3      LYS  86   6.653  13.978  16.918
   77    HD2  LYS  86           HD2      LYS  86   4.176  13.745  16.796
   78    HD3  LYS  86           HD3      LYS  86   4.254  12.436  17.997
   79    HE2  LYS  86           HE2      LYS  86   5.280  14.011  19.637
   80    HE3  LYS  86           HE3      LYS  86   5.214  15.313  18.441
   81    HZ1  LYS  86           HZ1      LYS  86   2.771  15.102  18.456
   82    HZ2  LYS  86           HZ2      LYS  86   2.833  13.900  19.563
   83    HZ3  LYS  86           HZ3      LYS  86   3.312  15.410  19.960
   84    H    ASN  87           H        ASN  87   9.280  13.118  16.940
   85    HA   ASN  87           HA       ASN  87  10.361  10.697  18.373
   86    HB2  ASN  87           HB2      ASN  87  11.882  11.655  16.699
   87    HB3  ASN  87           HB3      ASN  87  11.888  13.187  17.563
   88   HD21  ASN  87          HD22      ASN  87  14.286  12.068  17.186
   89   HD22  ASN  87          HD21      ASN  87  14.863  11.279  18.651
   90    HA   PRO  88           HA       PRO  88   8.308  13.027  21.779
   91    HB2  PRO  88           HB2      PRO  88   9.171  10.392  22.996
   92    HB3  PRO  88           HB3      PRO  88   7.694  11.351  23.335
   93    HG2  PRO  88           HG2      PRO  88   7.571   9.234  21.658
   94    HG3  PRO  88           HG3      PRO  88   6.745  10.767  21.227
   95    HD2  PRO  88           HD2      PRO  88   9.359   9.683  20.197
   96    HD3  PRO  88           HD3      PRO  88   8.058  10.551  19.328
   97    H    HIS  89           H        HIS  89  11.577  11.646  21.666
   98    HA   HIS  89           HA       HIS  89  12.555  12.690  24.158
   99    HB2  HIS  89           HB2      HIS  89  14.128  12.079  21.614
  100    HB3  HIS  89           HB3      HIS  89  14.775  12.222  23.244
  101    HD1  HIS  89           HD1      HIS  89  13.107   9.737  20.971
  102    HD2  HIS  89           HD2      HIS  89  13.962  10.274  25.071
  103    HE1  HIS  89           HE1      HIS  89  12.750   7.424  22.117
  104    HE2  HIS  89           HE2      HIS  89  13.289   7.775  24.609
  105    H    THR  90           H        THR  90  12.189  14.234  21.002
  106    HA   THR  90           HA       THR  90  13.292  16.800  22.112
  107    HB   THR  90           HB       THR  90  14.075  17.304  19.872
  108    HG1  THR  90           HG1      THR  90  13.845  15.905  18.230
  109   HG21  THR  90          HG21      THR  90  15.576  15.892  21.327
  110   HG22  THR  90          HG22      THR  90  14.909  14.445  20.522
  111   HG23  THR  90          HG23      THR  90  15.825  15.646  19.591
  112    H    GLY  91           H        GLY  91  10.536  15.309  20.614
  113    HA2  GLY  91           HA2      GLY  91   8.412  16.255  20.318
  114    HA3  GLY  91           HA3      GLY  91   9.078  17.883  20.438
  115    H    GLU  92           H        GLU  92  11.095  16.207  18.341
  116    HA   GLU  92           HA       GLU  92  10.281  17.649  16.023
  117    HB2  GLU  92           HB2      GLU  92  12.252  15.468  16.661
  118    HB3  GLU  92           HB3      GLU  92  11.822  15.683  14.972
  119    HG2  GLU  92           HG2      GLU  92  12.473  17.801  14.784
  120    HG3  GLU  92           HG3      GLU  92  12.541  18.118  16.536
  121    H    VAL  93           H        VAL  93   9.496  17.078  14.071
  122    HA   VAL  93           HA       VAL  93   8.318  14.396  13.602
  123    HB   VAL  93           HB       VAL  93   7.168  17.083  12.823
  124   HG11  VAL  93          HG11      VAL  93   5.139  15.776  12.173
  125   HG12  VAL  93          HG12      VAL  93   6.540  15.295  11.213
  126   HG13  VAL  93          HG13      VAL  93   5.991  14.271  12.562
  127   HG21  VAL  93          HG21      VAL  93   6.920  16.840  15.185
  128   HG22  VAL  93          HG22      VAL  93   5.338  16.629  14.418
  129   HG23  VAL  93          HG23      VAL  93   6.230  15.200  14.995
  130    H    ILE  94           H        ILE  94   8.626  13.631  11.537
  131    HA   ILE  94           HA       ILE  94   9.736  15.327   9.396
  132    HB   ILE  94           HB       ILE  94  11.482  13.654   8.844
  133   HG12  ILE  94          HG12      ILE  94  10.866  12.449  11.563
  134   HG13  ILE  94          HG13      ILE  94  10.537  11.707  10.001
  135   HG21  ILE  94          HG21      ILE  94  11.924  14.829  11.609
  136   HG22  ILE  94          HG22      ILE  94  13.145  14.461  10.373
  137   HG23  ILE  94          HG23      ILE  94  11.977  15.753  10.088
  138   HD11  ILE  94          HD11      ILE  94  12.943  11.597   9.508
  139   HD12  ILE  94          HD12      ILE  94  13.306  12.303  11.109
  140   HD13  ILE  94          HD13      ILE  94  12.518  10.728  10.997
  141    H    GLU  95           H        GLU  95   9.756  14.227   7.364
  142    HA   GLU  95           HA       GLU  95   7.933  11.897   6.990
  143    HB2  GLU  95           HB2      GLU  95   7.722  14.651   5.703
  144    HB3  GLU  95           HB3      GLU  95   7.011  13.209   4.972
  145    HG2  GLU  95           HG2      GLU  95   5.499  12.892   6.804
  146    HG3  GLU  95           HG3      GLU  95   6.310  14.110   7.786
  147    H    THR  96           H        THR  96   8.591  10.516   5.456
  148    HA   THR  96           HA       THR  96  10.333  11.323   3.212
  149    HB   THR  96           HB       THR  96  12.048  10.829   4.757
  150    HG1  THR  96           HG1      THR  96  12.981   9.045   3.801
  151   HG21  THR  96          HG21      THR  96  10.580   8.261   5.503
  152   HG22  THR  96          HG22      THR  96  12.219   8.709   6.025
  153   HG23  THR  96          HG23      THR  96  10.834   9.677   6.559
  154    H    LYS  97           H        LYS  97  10.436   9.678   1.525
  155    HA   LYS  97           HA       LYS  97   8.056   7.880   1.422
  156    HB2  LYS  97           HB2      LYS  97  10.129   8.691  -0.660
  157    HB3  LYS  97           HB3      LYS  97   8.820   7.529  -0.948
  158    HG2  LYS  97           HG2      LYS  97   7.131   9.245  -0.387
  159    HG3  LYS  97           HG3      LYS  97   8.410  10.423  -0.076
  160    HD2  LYS  97           HD2      LYS  97   7.501  10.870  -2.240
  161    HD3  LYS  97           HD3      LYS  97   9.139  10.244  -2.456
  162    HE2  LYS  97           HE2      LYS  97   8.207   8.000  -3.018
  163    HE3  LYS  97           HE3      LYS  97   6.570   8.601  -2.728
  164    HZ1  LYS  97           HZ1      LYS  97   6.901  10.172  -4.593
  165    HZ2  LYS  97           HZ2      LYS  97   8.408   9.603  -4.856
  166    HZ3  LYS  97           HZ3      LYS  97   7.119   8.639  -5.105
  167    H    GLY  98           H        GLY  98  11.096   7.542   2.681
  168    HA2  GLY  98           HA2      GLY  98  11.549   5.389   3.718
  169    HA3  GLY  98           HA3      GLY  98  11.094   4.568   2.230
  170    H    GLY  99           H        GLY  99  12.936   7.267   1.378
  171    HA2  GLY  99           HA2      GLY  99  15.271   5.709   0.639
  172    HA3  GLY  99           HA3      GLY  99  15.034   7.435   0.417
  173    H    ASN 100           H        ASN 100  17.474   6.911   1.007
  174    HA   ASN 100           HA       ASN 100  18.195   6.667   3.781
  175    HB2  ASN 100           HB2      ASN 100  19.679   6.033   1.915
  176    HB3  ASN 100           HB3      ASN 100  19.765   7.720   1.391
  177   HD21  ASN 100          HD22      ASN 100  22.125   7.449   1.646
  178   HD22  ASN 100          HD21      ASN 100  22.813   7.605   3.256
  179    H    HIS 101           H        HIS 101  16.805   8.150   4.819
  180    HA   HIS 101           HA       HIS 101  17.349  11.066   4.515
  181    HB2  HIS 101           HB2      HIS 101  15.024  10.135   4.349
  182    HB3  HIS 101           HB3      HIS 101  15.124   9.623   6.028
  183    HD1  HIS 101           HD1      HIS 101  14.815  11.602   7.848
  184    HD2  HIS 101           HD2      HIS 101  14.857  12.775   3.802
  185    HE1  HIS 101           HE1      HIS 101  14.273  14.131   7.831
  186    HE2  HIS 101           HE2      HIS 101  14.230  14.814   5.335
  187    H    LYS 102           H        LYS 102  19.260  11.364   5.564
  188    HA   LYS 102           HA       LYS 102  20.522  10.103   7.560
  189    HB2  LYS 102           HB2      LYS 102  21.355  12.003   6.180
  190    HB3  LYS 102           HB3      LYS 102  20.456  13.136   7.176
  191    HG2  LYS 102           HG2      LYS 102  22.740  13.226   7.800
  192    HG3  LYS 102           HG3      LYS 102  21.862  12.505   9.147
  193    HD2  LYS 102           HD2      LYS 102  22.723  10.270   8.575
  194    HD3  LYS 102           HD3      LYS 102  23.337  10.879   7.032
  195    HE2  LYS 102           HE2      LYS 102  25.253  10.729   8.382
  196    HE3  LYS 102           HE3      LYS 102  24.864  12.441   8.307
  197    HZ1  LYS 102           HZ1      LYS 102  23.774  12.166  10.561
  198    HZ2  LYS 102           HZ2      LYS 102  24.302  10.609  10.588
  199    HZ3  LYS 102           HZ3      LYS 102  25.373  11.836  10.571
  200    H    THR 103           H        THR 103  18.264  12.772   8.397
  201    HA   THR 103           HA       THR 103  18.551  12.637  11.195
  202    HB   THR 103           HB       THR 103  16.009  13.282   9.636
  203    HG1  THR 103           HG1      THR 103  16.881  15.416   9.678
  204   HG21  THR 103          HG21      THR 103  16.960  14.287  12.352
  205   HG22  THR 103          HG22      THR 103  15.535  14.873  11.459
  206   HG23  THR 103          HG23      THR 103  15.569  13.215  12.056
  207    H    LEU 104           H        LEU 104  16.549  10.532   9.135
  208    HA   LEU 104           HA       LEU 104  15.129   9.290  11.404
  209    HB2  LEU 104           HB2      LEU 104  14.175   9.439   9.046
  210    HB3  LEU 104           HB3      LEU 104  15.464   8.356   8.508
  211    HG   LEU 104           HG       LEU 104  14.567   6.664  10.241
  212   HD11  LEU 104          HD11      LEU 104  13.190   8.221  11.592
  213   HD12  LEU 104          HD12      LEU 104  12.161   8.528  10.176
  214   HD13  LEU 104          HD13      LEU 104  12.223   6.917  10.893
  215   HD21  LEU 104          HD21      LEU 104  12.677   7.445   8.001
  216   HD22  LEU 104          HD22      LEU 104  14.158   6.478   7.798
  217   HD23  LEU 104          HD23      LEU 104  12.821   5.854   8.776
  218    H    LYS 105           H        LYS 105  17.892   8.491   9.205
  219    HA   LYS 105           HA       LYS 105  18.571   6.000  10.326
  220    HB2  LYS 105           HB2      LYS 105  19.512   7.285   8.260
  221    HB3  LYS 105           HB3      LYS 105  20.669   7.990   9.429
  222    HG2  LYS 105           HG2      LYS 105  21.427   5.713  10.039
  223    HG3  LYS 105           HG3      LYS 105  20.243   5.016   8.908
  224    HD2  LYS 105           HD2      LYS 105  21.367   6.237   7.034
  225    HD3  LYS 105           HD3      LYS 105  22.604   6.818   8.149
  226    HE2  LYS 105           HE2      LYS 105  21.992   3.872   7.564
  227    HE3  LYS 105           HE3      LYS 105  23.244   4.815   6.755
  228    HZ1  LYS 105           HZ1      LYS 105  23.212   4.213   9.675
  229    HZ2  LYS 105           HZ2      LYS 105  24.201   3.550   8.563
  230    HZ3  LYS 105           HZ3      LYS 105  24.343   5.131   8.919
  231    H    GLU 106           H        GLU 106  19.661   9.241  11.312
  232    HA   GLU 106           HA       GLU 106  21.184   8.423  13.532
  233    HB2  GLU 106           HB2      GLU 106  19.725  10.971  12.817
  234    HB3  GLU 106           HB3      GLU 106  20.352  10.781  14.463
  235    HG2  GLU 106           HG2      GLU 106  22.582  10.322  13.642
  236    HG3  GLU 106           HG3      GLU 106  22.002  10.357  11.957
  237    H    TRP 107           H        TRP 107  17.682   9.209  13.428
  238    HA   TRP 107           HA       TRP 107  17.205   8.650  16.183
  239    HB2  TRP 107           HB2      TRP 107  15.311   8.404  13.816
  240    HB3  TRP 107           HB3      TRP 107  14.828   8.329  15.496
  241    HD1  TRP 107           HD1      TRP 107  17.322  11.003  15.345
  242    HE1  TRP 107           HE1      TRP 107  16.253  13.313  15.186
  243    HE3  TRP 107           HE3      TRP 107  12.541   9.612  14.097
  244    HZ2  TRP 107           HZ2      TRP 107  13.714  14.428  14.542
  245    HZ3  TRP 107           HZ3      TRP 107  10.798  11.357  13.750
  246    HH2  TRP 107           HH2      TRP 107  11.383  13.781  13.964
  247    H    LYS 108           H        LYS 108  17.175   6.414  13.386
  248    HA   LYS 108           HA       LYS 108  16.312   4.061  14.852
  249    HB2  LYS 108           HB2      LYS 108  17.975   4.325  12.297
  250    HB3  LYS 108           HB3      LYS 108  17.274   2.799  12.915
  251    HG2  LYS 108           HG2      LYS 108  14.995   3.697  12.654
  252    HG3  LYS 108           HG3      LYS 108  15.615   5.246  12.175
  253    HD2  LYS 108           HD2      LYS 108  15.311   4.526  10.070
  254    HD3  LYS 108           HD3      LYS 108  16.852   3.703  10.278
  255    HE2  LYS 108           HE2      LYS 108  15.593   1.662  11.047
  256    HE3  LYS 108           HE3      LYS 108  14.068   2.528  10.791
  257    HZ1  LYS 108           HZ1      LYS 108  16.051   1.889   8.640
  258    HZ2  LYS 108           HZ2      LYS 108  14.632   1.116   8.868
  259    HZ3  LYS 108           HZ3      LYS 108  14.632   2.680   8.406
  260    H    ALA 109           H        ALA 109  19.526   5.433  14.223
  261    HA   ALA 109           HA       ALA 109  20.987   3.328  15.567
  262    HB1  ALA 109           HB1      ALA 109  21.743   6.221  14.962
  263    HB2  ALA 109           HB2      ALA 109  22.866   4.919  15.410
  264    HB3  ALA 109           HB3      ALA 109  21.969   4.838  13.879
  265    H    LYS 110           H        LYS 110  19.689   6.462  16.650
  266    HA   LYS 110           HA       LYS 110  20.902   6.353  19.296
  267    HB2  LYS 110           HB2      LYS 110  18.832   8.155  18.001
  268    HB3  LYS 110           HB3      LYS 110  19.391   8.389  19.664
  269    HG2  LYS 110           HG2      LYS 110  21.665   8.755  18.966
  270    HG3  LYS 110           HG3      LYS 110  21.320   8.291  17.300
  271    HD2  LYS 110           HD2      LYS 110  19.742  10.258  17.119
  272    HD3  LYS 110           HD3      LYS 110  20.242  10.745  18.756
  273    HE2  LYS 110           HE2      LYS 110  22.623  10.800  17.946
  274    HE3  LYS 110           HE3      LYS 110  22.063  10.446  16.300
  275    HZ1  LYS 110           HZ1      LYS 110  22.387  12.830  16.619
  276    HZ2  LYS 110           HZ2      LYS 110  20.805  12.563  16.372
  277    HZ3  LYS 110           HZ3      LYS 110  21.359  12.880  17.884
  278    H    TRP 111           H        TRP 111  17.665   5.529  18.136
  279    HA   TRP 111           HA       TRP 111  16.917   4.666  20.913
  280    HB2  TRP 111           HB2      TRP 111  15.253   6.094  18.809
  281    HB3  TRP 111           HB3      TRP 111  14.619   5.439  20.311
  282    HD1  TRP 111           HD1      TRP 111  15.917   6.341  22.625
  283    HE1  TRP 111           HE1      TRP 111  16.739   8.686  23.247
  284    HE3  TRP 111           HE3      TRP 111  15.952   8.434  17.970
  285    HZ2  TRP 111           HZ2      TRP 111  17.527  11.098  21.868
  286    HZ3  TRP 111           HZ3      TRP 111  16.855  10.743  17.641
  287    HH2  TRP 111           HH2      TRP 111  17.625  12.076  19.577
  288    H    GLY 112           H        GLY 112  17.421   3.368  17.870
  289    HA2  GLY 112           HA2      GLY 112  17.368   1.028  17.607
  290    HA3  GLY 112           HA3      GLY 112  15.935   0.886  18.615
  291    HA   PRO 113           HA       PRO 113  14.996   1.909  13.947
  292    HB2  PRO 113           HB2      PRO 113  15.184  -0.575  12.645
  293    HB3  PRO 113           HB3      PRO 113  16.405   0.727  12.614
  294    HG2  PRO 113           HG2      PRO 113  16.338  -1.712  14.359
  295    HG3  PRO 113           HG3      PRO 113  17.738  -0.923  13.524
  296    HD2  PRO 113           HD2      PRO 113  17.269  -0.589  16.166
  297    HD3  PRO 113           HD3      PRO 113  17.884   0.745  15.139
  298    H    GLU 114           H        GLU 114  14.195  -1.049  15.795
  299    HA   GLU 114           HA       GLU 114  11.597  -1.437  14.663
  300    HB2  GLU 114           HB2      GLU 114  12.805  -2.273  17.323
  301    HB3  GLU 114           HB3      GLU 114  11.218  -2.808  16.746
  302    HG2  GLU 114           HG2      GLU 114  12.307  -3.785  14.716
  303    HG3  GLU 114           HG3      GLU 114  13.883  -3.332  15.355
  304    H    ALA 115           H        ALA 115  12.741   0.398  17.474
  305    HA   ALA 115           HA       ALA 115  10.141   1.239  18.432
  306    HB1  ALA 115           HB1      ALA 115  12.163   1.300  19.834
  307    HB2  ALA 115           HB2      ALA 115  12.904   2.493  18.747
  308    HB3  ALA 115           HB3      ALA 115  11.465   2.931  19.684
  309    H    VAL 116           H        VAL 116  12.594   2.819  16.316
  310    HA   VAL 116           HA       VAL 116  11.021   5.137  15.752
  311    HB   VAL 116           HB       VAL 116  13.254   3.844  14.158
  312   HG11  VAL 116          HG11      VAL 116  13.539   6.113  13.149
  313   HG12  VAL 116          HG12      VAL 116  12.012   5.353  12.674
  314   HG13  VAL 116          HG13      VAL 116  12.020   6.628  13.915
  315   HG21  VAL 116          HG21      VAL 116  13.906   4.615  16.476
  316   HG22  VAL 116          HG22      VAL 116  14.612   5.608  15.209
  317   HG23  VAL 116          HG23      VAL 116  13.219   6.194  16.118
  318    H    GLU 117           H        GLU 117  11.118   1.975  13.963
  319    HA   GLU 117           HA       GLU 117   9.209   2.907  11.984
  320    HB2  GLU 117           HB2      GLU 117  10.066   0.146  12.934
  321    HB3  GLU 117           HB3      GLU 117   8.778   0.353  11.751
  322    HG2  GLU 117           HG2      GLU 117  11.636   1.344  11.419
  323    HG3  GLU 117           HG3      GLU 117  10.941  -0.086  10.665
  324    H    SER 118           H        SER 118   8.818   1.719  15.294
  325    HA   SER 118           HA       SER 118   5.940   1.389  15.131
  326    HB2  SER 118           HB2      SER 118   7.292   0.373  16.853
  327    HB3  SER 118           HB3      SER 118   7.584   1.970  17.586
  328    HG   SER 118           HG       SER 118   5.789   0.812  18.528
  329    H    TRP 119           H        TRP 119   8.078   4.212  15.519
  330    HA   TRP 119           HA       TRP 119   5.952   6.095  16.173
  331    HB2  TRP 119           HB2      TRP 119   8.600   6.741  14.847
  332    HB3  TRP 119           HB3      TRP 119   7.534   7.820  15.703
  333    HD1  TRP 119           HD1      TRP 119   7.421   5.444  18.195
  334    HE1  TRP 119           HE1      TRP 119   9.310   5.567  19.906
  335    HE3  TRP 119           HE3      TRP 119  10.745   8.369  15.556
  336    HZ2  TRP 119           HZ2      TRP 119  11.961   6.644  20.070
  337    HZ3  TRP 119           HZ3      TRP 119  12.881   9.050  16.615
  338    HH2  TRP 119           HH2      TRP 119  13.527   8.175  18.839
  339    H    ALA 120           H        ALA 120   6.802   4.456  13.240
  340    HA   ALA 120           HA       ALA 120   6.330   6.539  11.377
  341    HB1  ALA 120           HB1      ALA 120   5.919   3.581  10.829
  342    HB2  ALA 120           HB2      ALA 120   6.354   4.853   9.681
  343    HB3  ALA 120           HB3      ALA 120   7.518   4.347  10.921
  344    H    THR 121           H        THR 121   4.579   7.195  10.207
  345    HA   THR 121           HA       THR 121   1.997   5.701  10.269
  346    HB   THR 121           HB       THR 121   0.927   8.085  10.180
  347    HG1  THR 121           HG1      THR 121   3.289   8.611  11.665
  348   HG21  THR 121          HG21      THR 121   0.474   6.493  11.985
  349   HG22  THR 121          HG22      THR 121   1.950   7.022  12.837
  350   HG23  THR 121          HG23      THR 121   0.597   8.151  12.591
  351    H    LEU 122           H        LEU 122   1.477   5.149   8.367
  352    HA   LEU 122           HA       LEU 122   2.603   6.302   5.938
  353    HB2  LEU 122           HB2      LEU 122   0.499   4.228   6.641
  354    HB3  LEU 122           HB3      LEU 122   0.806   4.676   4.960
  355    HG   LEU 122           HG       LEU 122   3.014   3.680   6.814
  356   HD11  LEU 122          HD11      LEU 122   1.286   1.937   6.627
  357   HD12  LEU 122          HD12      LEU 122   1.303   2.081   4.858
  358   HD13  LEU 122          HD13      LEU 122   2.741   1.483   5.726
  359   HD21  LEU 122          HD21      LEU 122   2.755   3.810   3.764
  360   HD22  LEU 122          HD22      LEU 122   3.762   4.890   4.749
  361   HD23  LEU 122          HD23      LEU 122   4.146   3.165   4.655
  362    H    LEU 123           H        LEU 123   1.941   8.129   5.018
  363    HA   LEU 123           HA       LEU 123  -0.640   9.356   5.737
  364    HB2  LEU 123           HB2      LEU 123   1.487  10.291   3.768
  365    HB3  LEU 123           HB3      LEU 123   0.136  11.234   4.391
  366    HG   LEU 123           HG       LEU 123   2.588  10.298   5.935
  367   HD11  LEU 123          HD11      LEU 123   2.797  12.323   4.504
  368   HD12  LEU 123          HD12      LEU 123   1.443  13.064   5.379
  369   HD13  LEU 123          HD13      LEU 123   2.954  12.686   6.229
  370   HD21  LEU 123          HD21      LEU 123   1.592  11.554   7.873
  371   HD22  LEU 123          HD22      LEU 123   0.061  11.656   6.986
  372   HD23  LEU 123          HD23      LEU 123   0.719  10.075   7.486
  373    H    GLY 124           H        GLY 124  -2.210  10.066   4.185
  374    HA2  GLY 124           HA2      GLY 124  -2.303   8.927   1.473
  375    HA3  GLY 124           HA3      GLY 124  -3.368   8.130   2.637
  376    H    HIS 125           H        HIS 125  -2.603  11.625   2.509
  377    HA   HIS 125           HA       HIS 125  -5.256  12.337   1.427
  378    HB2  HIS 125           HB2      HIS 125  -5.773  12.043   3.689
  379    HB3  HIS 125           HB3      HIS 125  -4.401  13.017   4.236
  380    HD1  HIS 125           HD1      HIS 125  -4.654  15.724   3.853
  381    HD2  HIS 125           HD2      HIS 125  -7.991  13.303   2.934
  382    HE1  HIS 125           HE1      HIS 125  -6.679  17.322   3.641
  383    HE2  HIS 125           HE2      HIS 125  -8.708  15.833   3.085
  Start of MODEL    9
    1    H    ALA  79           H1       ALA  79   3.733   0.331   1.078
    2    HA   ALA  79           HA       ALA  79   2.987   0.059  -1.774
    3    HB1  ALA  79           HB1      ALA  79   1.460   1.475   0.474
    4    HB2  ALA  79           HB2      ALA  79   0.993   1.421  -1.239
    5    HB3  ALA  79           HB3      ALA  79   1.002  -0.064  -0.286
    6    H    ARG  80           H        ARG  80   2.694   2.212  -2.852
    7    HA   ARG  80           HA       ARG  80   5.110   3.852  -2.528
    8    HB2  ARG  80           HB2      ARG  80   2.866   4.007  -4.543
    9    HB3  ARG  80           HB3      ARG  80   4.381   4.940  -4.534
   10    HG2  ARG  80           HG2      ARG  80   5.676   2.817  -4.538
   11    HG3  ARG  80           HG3      ARG  80   4.180   1.903  -4.740
   12    HD2  ARG  80           HD2      ARG  80   5.211   4.034  -6.658
   13    HD3  ARG  80           HD3      ARG  80   5.415   2.285  -6.870
   14    HE   ARG  80           HE       ARG  80   2.660   2.667  -6.559
   15   HH11  ARG  80          HH11      ARG  80   5.050   3.681  -8.913
   16   HH12  ARG  80          HH12      ARG  80   3.875   3.776 -10.202
   17   HH21  ARG  80          HH21      ARG  80   1.212   2.822  -8.241
   18   HH22  ARG  80          HH22      ARG  80   1.760   3.302  -9.821
   19    H    LYS  81           H        LYS  81   4.340   4.416  -0.275
   20    HA   LYS  81           HA       LYS  81   2.809   7.007  -0.225
   21    HB2  LYS  81           HB2      LYS  81   2.439   4.540   1.540
   22    HB3  LYS  81           HB3      LYS  81   1.841   6.143   1.988
   23    HG2  LYS  81           HG2      LYS  81   0.468   6.231  -0.071
   24    HG3  LYS  81           HG3      LYS  81   1.019   4.599  -0.508
   25    HD2  LYS  81           HD2      LYS  81   0.015   3.688   1.563
   26    HD3  LYS  81           HD3      LYS  81  -0.517   5.315   2.032
   27    HE2  LYS  81           HE2      LYS  81  -1.886   5.473  -0.040
   28    HE3  LYS  81           HE3      LYS  81  -1.362   3.858  -0.524
   29    HZ1  LYS  81           HZ1      LYS  81  -3.536   3.800   0.567
   30    HZ2  LYS  81           HZ2      LYS  81  -2.465   2.976   1.484
   31    HZ3  LYS  81           HZ3      LYS  81  -2.949   4.478   1.926
   32    H    VAL  82           H        VAL  82   3.202   8.355   1.483
   33    HA   VAL  82           HA       VAL  82   6.009   8.497   2.360
   34    HB   VAL  82           HB       VAL  82   3.574  10.263   2.835
   35   HG11  VAL  82          HG11      VAL  82   6.458  10.778   3.697
   36   HG12  VAL  82          HG12      VAL  82   5.187  12.011   3.619
   37   HG13  VAL  82          HG13      VAL  82   5.016  10.673   4.745
   38   HG21  VAL  82          HG21      VAL  82   4.700  11.803   1.287
   39   HG22  VAL  82          HG22      VAL  82   6.077  10.695   1.144
   40   HG23  VAL  82          HG23      VAL  82   4.482  10.232   0.504
   41    H    LYS  83           H        LYS  83   6.809   8.067   4.360
   42    HA   LYS  83           HA       LYS  83   4.935   7.304   6.583
   43    HB2  LYS  83           HB2      LYS  83   7.839   6.576   6.041
   44    HB3  LYS  83           HB3      LYS  83   7.118   6.482   7.659
   45    HG2  LYS  83           HG2      LYS  83   5.363   4.964   6.835
   46    HG3  LYS  83           HG3      LYS  83   6.099   4.981   5.218
   47    HD2  LYS  83           HD2      LYS  83   8.126   3.945   6.051
   48    HD3  LYS  83           HD3      LYS  83   7.609   4.132   7.736
   49    HE2  LYS  83           HE2      LYS  83   5.770   2.578   7.437
   50    HE3  LYS  83           HE3      LYS  83   6.104   2.442   5.703
   51    HZ1  LYS  83           HZ1      LYS  83   8.240   1.415   6.224
   52    HZ2  LYS  83           HZ2      LYS  83   8.028   1.577   7.837
   53    HZ3  LYS  83           HZ3      LYS  83   7.067   0.567   6.976
   54    H    GLN  84           H        GLN  84   4.542   8.847   7.904
   55    HA   GLN  84           HA       GLN  84   6.389  11.116   8.449
   56    HB2  GLN  84           HB2      GLN  84   4.051  11.666   8.151
   57    HB3  GLN  84           HB3      GLN  84   3.544  10.359   9.204
   58    HG2  GLN  84           HG2      GLN  84   4.588  11.567  11.153
   59    HG3  GLN  84           HG3      GLN  84   4.994  12.900  10.058
   60   HE21  GLN  84          HE22      GLN  84   2.148  10.850  11.031
   61   HE22  GLN  84          HE21      GLN  84   1.019  12.209  11.041
   62    H    TYR  85           H        TYR  85   7.386  11.319  10.454
   63    HA   TYR  85           HA       TYR  85   7.023   9.165  12.502
   64    HB2  TYR  85           HB2      TYR  85   9.697  10.235  11.514
   65    HB3  TYR  85           HB3      TYR  85   9.474   9.144  12.858
   66    HD1  TYR  85           HD2      TYR  85   9.211   9.435   9.136
   67    HD2  TYR  85           HD1      TYR  85   9.353   6.794  12.542
   68    HE1  TYR  85           HE2      TYR  85   9.660   7.507   7.632
   69    HE2  TYR  85           HE1      TYR  85   9.847   4.874  11.047
   70    HH   TYR  85           HH       TYR  85  10.300   4.219   8.898
   71    H    LYS  86           H        LYS  86   7.454   9.855  14.619
   72    HA   LYS  86           HA       LYS  86   8.128  12.727  15.099
   73    HB2  LYS  86           HB2      LYS  86   5.675  12.429  15.262
   74    HB3  LYS  86           HB3      LYS  86   5.903  11.124  16.440
   75    HG2  LYS  86           HG2      LYS  86   6.862  12.667  18.066
   76    HG3  LYS  86           HG3      LYS  86   6.843  13.990  16.889
   77    HD2  LYS  86           HD2      LYS  86   4.364  13.861  16.794
   78    HD3  LYS  86           HD3      LYS  86   4.391  12.545  17.989
   79    HE2  LYS  86           HE2      LYS  86   5.502  14.063  19.621
   80    HE3  LYS  86           HE3      LYS  86   5.479  15.372  18.434
   81    HZ1  LYS  86           HZ1      LYS  86   3.035  15.278  18.468
   82    HZ2  LYS  86           HZ2      LYS  86   3.047  14.061  19.564
   83    HZ3  LYS  86           HZ3      LYS  86   3.593  15.540  19.977
   84    H    ASN  87           H        ASN  87   9.536  13.049  16.733
   85    HA   ASN  87           HA       ASN  87  10.444  10.647  18.301
   86    HB2  ASN  87           HB2      ASN  87  12.079  11.550  16.708
   87    HB3  ASN  87           HB3      ASN  87  12.090  13.081  17.578
   88   HD21  ASN  87          HD22      ASN  87  14.464  11.725  17.304
   89   HD22  ASN  87          HD21      ASN  87  14.900  10.981  18.839
   90    HA   PRO  88           HA       PRO  88   8.328  13.368  21.338
   91    HB2  PRO  88           HB2      PRO  88   7.872  11.447  23.289
   92    HB3  PRO  88           HB3      PRO  88   6.835  11.747  21.868
   93    HG2  PRO  88           HG2      PRO  88   9.015   9.663  22.168
   94    HG3  PRO  88           HG3      PRO  88   7.351   9.443  21.540
   95    HD2  PRO  88           HD2      PRO  88   9.442   9.738  19.873
   96    HD3  PRO  88           HD3      PRO  88   7.884  10.538  19.504
   97    H    HIS  89           H        HIS  89  11.314  11.631  21.640
   98    HA   HIS  89           HA       HIS  89  12.136  12.642  24.229
   99    HB2  HIS  89           HB2      HIS  89  13.916  11.744  21.925
  100    HB3  HIS  89           HB3      HIS  89  14.323  11.801  23.636
  101    HD1  HIS  89           HD1      HIS  89  12.729   9.562  21.075
  102    HD2  HIS  89           HD2      HIS  89  12.955   9.979  25.276
  103    HE1  HIS  89           HE1      HIS  89  11.823   7.340  22.098
  104    HE2  HIS  89           HE2      HIS  89  12.007   7.610  24.649
  105    H    THR  90           H        THR  90  12.121  14.054  21.015
  106    HA   THR  90           HA       THR  90  13.577  16.481  22.014
  107    HB   THR  90           HB       THR  90  14.377  16.783  19.734
  108    HG1  THR  90           HG1      THR  90  13.907  15.230  18.182
  109   HG21  THR  90          HG21      THR  90  15.865  14.875  19.492
  110   HG22  THR  90          HG22      THR  90  15.690  15.224  21.223
  111   HG23  THR  90          HG23      THR  90  14.804  13.861  20.495
  112    H    GLY  91           H        GLY  91  10.712  15.306  20.379
  113    HA2  GLY  91           HA2      GLY  91   8.663  16.506  20.261
  114    HA3  GLY  91           HA3      GLY  91   9.537  18.042  20.292
  115    H    GLU  92           H        GLU  92  11.327  16.249  18.163
  116    HA   GLU  92           HA       GLU  92  10.404  17.693  15.883
  117    HB2  GLU  92           HB2      GLU  92  12.509  15.639  16.480
  118    HB3  GLU  92           HB3      GLU  92  11.983  15.759  14.802
  119    HG2  GLU  92           HG2      GLU  92  12.409  17.989  14.606
  120    HG3  GLU  92           HG3      GLU  92  12.745  18.204  16.352
  121    H    VAL  93           H        VAL  93   9.529  17.113  13.978
  122    HA   VAL  93           HA       VAL  93   8.420  14.395  13.556
  123    HB   VAL  93           HB       VAL  93   7.194  17.057  12.780
  124   HG11  VAL  93          HG11      VAL  93   5.181  15.722  12.176
  125   HG12  VAL  93          HG12      VAL  93   6.569  15.242  11.199
  126   HG13  VAL  93          HG13      VAL  93   6.061  14.226  12.569
  127   HG21  VAL  93          HG21      VAL  93   5.412  16.578  14.418
  128   HG22  VAL  93          HG22      VAL  93   6.340  15.163  14.982
  129   HG23  VAL  93          HG23      VAL  93   7.000  16.809  15.155
  130    H    ILE  94           H        ILE  94   8.706  13.615  11.497
  131    HA   ILE  94           HA       ILE  94   9.752  15.314   9.321
  132    HB   ILE  94           HB       ILE  94  11.523  13.666   8.766
  133   HG12  ILE  94          HG12      ILE  94  10.953  12.469  11.500
  134   HG13  ILE  94          HG13      ILE  94  10.599  11.706   9.947
  135   HG21  ILE  94          HG21      ILE  94  13.177  14.517  10.288
  136   HG22  ILE  94          HG22      ILE  94  11.978  15.780  10.001
  137   HG23  ILE  94          HG23      ILE  94  11.957  14.867  11.528
  138   HD11  ILE  94          HD11      ILE  94  13.382  12.345  11.006
  139   HD12  ILE  94          HD12      ILE  94  12.612  10.762  10.899
  140   HD13  ILE  94          HD13      ILE  94  13.001  11.636   9.406
  141    H    GLU  95           H        GLU  95   9.758  14.203   7.303
  142    HA   GLU  95           HA       GLU  95   7.926  11.874   6.952
  143    HB2  GLU  95           HB2      GLU  95   7.723  14.622   5.641
  144    HB3  GLU  95           HB3      GLU  95   6.985  13.175   4.948
  145    HG2  GLU  95           HG2      GLU  95   5.496  12.912   6.794
  146    HG3  GLU  95           HG3      GLU  95   6.342  14.133   7.754
  147    H    THR  96           H        THR  96   8.563  10.477   5.450
  148    HA   THR  96           HA       THR  96  10.282  11.263   3.180
  149    HB   THR  96           HB       THR  96  12.011  10.809   4.726
  150    HG1  THR  96           HG1      THR  96  12.974   9.051   3.770
  151   HG21  THR  96          HG21      THR  96  10.822   9.643   6.531
  152   HG22  THR  96          HG22      THR  96  10.578   8.228   5.478
  153   HG23  THR  96          HG23      THR  96  12.217   8.694   5.993
  154    H    LYS  97           H        LYS  97  10.436   9.581   1.541
  155    HA   LYS  97           HA       LYS  97   8.062   7.760   1.444
  156    HB2  LYS  97           HB2      LYS  97  10.134   8.595  -0.631
  157    HB3  LYS  97           HB3      LYS  97   8.855   7.406  -0.927
  158    HG2  LYS  97           HG2      LYS  97   7.112   9.061  -0.458
  159    HG3  LYS  97           HG3      LYS  97   8.325  10.273  -0.038
  160    HD2  LYS  97           HD2      LYS  97   7.514  10.736  -2.259
  161    HD3  LYS  97           HD3      LYS  97   9.208  10.232  -2.352
  162    HE2  LYS  97           HE2      LYS  97   8.484   7.946  -3.037
  163    HE3  LYS  97           HE3      LYS  97   6.791   8.442  -2.909
  164    HZ1  LYS  97           HZ1      LYS  97   7.197  10.075  -4.682
  165    HZ2  LYS  97           HZ2      LYS  97   8.767   9.621  -4.805
  166    HZ3  LYS  97           HZ3      LYS  97   7.576   8.582  -5.208
  167    H    GLY  98           H        GLY  98  11.118   7.514   2.702
  168    HA2  GLY  98           HA2      GLY  98  11.636   5.383   3.768
  169    HA3  GLY  98           HA3      GLY  98  11.204   4.536   2.287
  170    H    GLY  99           H        GLY  99  12.975   7.305   1.434
  171    HA2  GLY  99           HA2      GLY  99  15.348   5.802   0.676
  172    HA3  GLY  99           HA3      GLY  99  15.061   7.523   0.453
  173    H    ASN 100           H        ASN 100  17.515   7.059   1.034
  174    HA   ASN 100           HA       ASN 100  18.269   6.823   3.799
  175    HB2  ASN 100           HB2      ASN 100  19.744   6.234   1.908
  176    HB3  ASN 100           HB3      ASN 100  19.773   7.919   1.386
  177   HD21  ASN 100          HD22      ASN 100  22.119   7.892   1.606
  178   HD22  ASN 100          HD21      ASN 100  22.830   7.996   3.208
  179    H    HIS 101           H        HIS 101  16.840   8.282   4.855
  180    HA   HIS 101           HA       HIS 101  17.372  11.210   4.576
  181    HB2  HIS 101           HB2      HIS 101  15.061  10.265   4.367
  182    HB3  HIS 101           HB3      HIS 101  15.129   9.759   6.055
  183    HD1  HIS 101           HD1      HIS 101  14.966  11.792   7.875
  184    HD2  HIS 101           HD2      HIS 101  14.748  12.863   3.806
  185    HE1  HIS 101           HE1      HIS 101  14.414  14.319   7.829
  186    HE2  HIS 101           HE2      HIS 101  14.196  14.937   5.331
  187    H    LYS 102           H        LYS 102  19.275  11.493   5.682
  188    HA   LYS 102           HA       LYS 102  20.441  10.178   7.723
  189    HB2  LYS 102           HB2      LYS 102  21.447  11.997   6.407
  190    HB3  LYS 102           HB3      LYS 102  20.479  13.190   7.258
  191    HG2  LYS 102           HG2      LYS 102  22.737  13.250   8.070
  192    HG3  LYS 102           HG3      LYS 102  21.694  12.684   9.367
  193    HD2  LYS 102           HD2      LYS 102  22.452  10.355   8.994
  194    HD3  LYS 102           HD3      LYS 102  23.417  10.891   7.594
  195    HE2  LYS 102           HE2      LYS 102  24.702  12.419   9.112
  196    HE3  LYS 102           HE3      LYS 102  23.782  11.813  10.489
  197    HZ1  LYS 102           HZ1      LYS 102  25.565  10.159   8.763
  198    HZ2  LYS 102           HZ2      LYS 102  25.920  10.672  10.265
  199    HZ3  LYS 102           HZ3      LYS 102  24.719   9.590  10.050
  200    H    THR 103           H        THR 103  18.157  12.856   8.477
  201    HA   THR 103           HA       THR 103  18.381  12.745  11.282
  202    HB   THR 103           HB       THR 103  15.758  13.228   9.823
  203    HG1  THR 103           HG1      THR 103  17.829  15.133  10.103
  204   HG21  THR 103          HG21      THR 103  16.961  14.562  12.282
  205   HG22  THR 103          HG22      THR 103  15.443  15.027  11.472
  206   HG23  THR 103          HG23      THR 103  15.583  13.442  12.248
  207    H    LEU 104           H        LEU 104  16.497  10.582   9.186
  208    HA   LEU 104           HA       LEU 104  15.053   9.309  11.419
  209    HB2  LEU 104           HB2      LEU 104  14.147   9.459   9.033
  210    HB3  LEU 104           HB3      LEU 104  15.457   8.401   8.518
  211    HG   LEU 104           HG       LEU 104  14.567   6.676  10.200
  212   HD11  LEU 104          HD11      LEU 104  13.176   8.182  11.585
  213   HD12  LEU 104          HD12      LEU 104  12.153   8.535  10.172
  214   HD13  LEU 104          HD13      LEU 104  12.212   6.902  10.845
  215   HD21  LEU 104          HD21      LEU 104  12.663   7.479   7.979
  216   HD22  LEU 104          HD22      LEU 104  14.161   6.541   7.751
  217   HD23  LEU 104          HD23      LEU 104  12.837   5.874   8.721
  218    H    LYS 105           H        LYS 105  17.866   8.575   9.270
  219    HA   LYS 105           HA       LYS 105  18.565   6.092  10.397
  220    HB2  LYS 105           HB2      LYS 105  19.520   7.381   8.336
  221    HB3  LYS 105           HB3      LYS 105  20.652   8.104   9.519
  222    HG2  LYS 105           HG2      LYS 105  21.427   5.849  10.156
  223    HG3  LYS 105           HG3      LYS 105  20.245   5.115   9.045
  224    HD2  LYS 105           HD2      LYS 105  21.377   6.187   7.117
  225    HD3  LYS 105           HD3      LYS 105  22.566   6.924   8.220
  226    HE2  LYS 105           HE2      LYS 105  23.264   4.655   8.971
  227    HE3  LYS 105           HE3      LYS 105  22.074   3.927   7.890
  228    HZ1  LYS 105           HZ1      LYS 105  24.402   5.563   6.994
  229    HZ2  LYS 105           HZ2      LYS 105  24.272   3.942   6.861
  230    HZ3  LYS 105           HZ3      LYS 105  23.282   4.905   5.994
  231    H    GLU 106           H        GLU 106  19.604   9.352  11.412
  232    HA   GLU 106           HA       GLU 106  21.151   8.569  13.622
  233    HB2  GLU 106           HB2      GLU 106  19.519  11.032  12.950
  234    HB3  GLU 106           HB3      GLU 106  20.136  10.852  14.590
  235    HG2  GLU 106           HG2      GLU 106  22.419  10.501  13.684
  236    HG3  GLU 106           HG3      GLU 106  21.784  10.796  12.044
  237    H    TRP 107           H        TRP 107  17.619   9.130  13.500
  238    HA   TRP 107           HA       TRP 107  17.213   8.545  16.271
  239    HB2  TRP 107           HB2      TRP 107  15.266   8.373  13.948
  240    HB3  TRP 107           HB3      TRP 107  14.832   8.262  15.642
  241    HD1  TRP 107           HD1      TRP 107  17.296  10.882  15.709
  242    HE1  TRP 107           HE1      TRP 107  16.299  13.221  15.510
  243    HE3  TRP 107           HE3      TRP 107  12.598   9.642  14.018
  244    HZ2  TRP 107           HZ2      TRP 107  13.854  14.414  14.689
  245    HZ3  TRP 107           HZ3      TRP 107  10.935  11.439  13.601
  246    HH2  TRP 107           HH2      TRP 107  11.563  13.843  13.905
  247    H    LYS 108           H        LYS 108  17.137   6.401  13.404
  248    HA   LYS 108           HA       LYS 108  16.337   4.004  14.831
  249    HB2  LYS 108           HB2      LYS 108  18.002   4.325  12.289
  250    HB3  LYS 108           HB3      LYS 108  17.303   2.789  12.871
  251    HG2  LYS 108           HG2      LYS 108  15.020   3.689  12.604
  252    HG3  LYS 108           HG3      LYS 108  15.650   5.247  12.145
  253    HD2  LYS 108           HD2      LYS 108  15.363   4.543  10.028
  254    HD3  LYS 108           HD3      LYS 108  16.902   3.711  10.250
  255    HE2  LYS 108           HE2      LYS 108  15.624   1.668  10.987
  256    HE3  LYS 108           HE3      LYS 108  14.107   2.550  10.720
  257    HZ1  LYS 108           HZ1      LYS 108  14.694   1.139   8.804
  258    HZ2  LYS 108           HZ2      LYS 108  14.696   2.703   8.346
  259    HZ3  LYS 108           HZ3      LYS 108  16.113   1.913   8.590
  260    H    ALA 109           H        ALA 109  19.503   5.483  14.230
  261    HA   ALA 109           HA       ALA 109  21.050   3.386  15.479
  262    HB1  ALA 109           HB1      ALA 109  21.955   5.028  13.862
  263    HB2  ALA 109           HB2      ALA 109  21.689   6.339  15.034
  264    HB3  ALA 109           HB3      ALA 109  22.862   5.048  15.385
  265    H    LYS 110           H        LYS 110  19.585   6.376  16.725
  266    HA   LYS 110           HA       LYS 110  20.812   5.976  19.389
  267    HB2  LYS 110           HB2      LYS 110  19.372   8.320  18.111
  268    HB3  LYS 110           HB3      LYS 110  19.885   8.300  19.802
  269    HG2  LYS 110           HG2      LYS 110  22.205   7.796  19.127
  270    HG3  LYS 110           HG3      LYS 110  21.769   7.868  17.427
  271    HD2  LYS 110           HD2      LYS 110  21.381  10.228  19.317
  272    HD3  LYS 110           HD3      LYS 110  22.913   9.897  18.500
  273    HE2  LYS 110           HE2      LYS 110  21.746   9.994  16.282
  274    HE3  LYS 110           HE3      LYS 110  20.244  10.430  17.119
  275    HZ1  LYS 110           HZ1      LYS 110  21.273  12.479  17.853
  276    HZ2  LYS 110           HZ2      LYS 110  22.759  12.022  17.343
  277    HZ3  LYS 110           HZ3      LYS 110  21.613  12.373  16.244
  278    H    TRP 111           H        TRP 111  17.621   5.423  18.147
  279    HA   TRP 111           HA       TRP 111  16.800   4.655  20.932
  280    HB2  TRP 111           HB2      TRP 111  15.152   6.021  18.777
  281    HB3  TRP 111           HB3      TRP 111  14.456   5.241  20.189
  282    HD1  TRP 111           HD1      TRP 111  15.016   6.237  22.616
  283    HE1  TRP 111           HE1      TRP 111  15.691   8.577  23.421
  284    HE3  TRP 111           HE3      TRP 111  16.366   8.243  18.145
  285    HZ2  TRP 111           HZ2      TRP 111  16.764  11.008  22.259
  286    HZ3  TRP 111           HZ3      TRP 111  17.300  10.566  18.012
  287    HH2  TRP 111           HH2      TRP 111  17.476  11.953  20.058
  288    H    GLY 112           H        GLY 112  17.372   3.421  17.836
  289    HA2  GLY 112           HA2      GLY 112  17.430   1.077  17.512
  290    HA3  GLY 112           HA3      GLY 112  16.017   0.850  18.529
  291    HA   PRO 113           HA       PRO 113  15.016   1.899  13.882
  292    HB2  PRO 113           HB2      PRO 113  15.208  -0.585  12.584
  293    HB3  PRO 113           HB3      PRO 113  16.427   0.715  12.557
  294    HG2  PRO 113           HG2      PRO 113  16.362  -1.735  14.290
  295    HG3  PRO 113           HG3      PRO 113  17.756  -0.934  13.464
  296    HD2  PRO 113           HD2      PRO 113  17.254  -0.638  16.116
  297    HD3  PRO 113           HD3      PRO 113  17.912   0.694  15.116
  298    H    GLU 114           H        GLU 114  14.222  -1.085  15.716
  299    HA   GLU 114           HA       GLU 114  11.619  -1.458  14.597
  300    HB2  GLU 114           HB2      GLU 114  12.834  -2.310  17.250
  301    HB3  GLU 114           HB3      GLU 114  11.251  -2.850  16.672
  302    HG2  GLU 114           HG2      GLU 114  12.327  -3.823  14.645
  303    HG3  GLU 114           HG3      GLU 114  13.910  -3.359  15.269
  304    H    ALA 115           H        ALA 115  12.781   0.359  17.404
  305    HA   ALA 115           HA       ALA 115  10.199   1.198  18.400
  306    HB1  ALA 115           HB1      ALA 115  12.954   2.470  18.678
  307    HB2  ALA 115           HB2      ALA 115  11.523   2.867  19.651
  308    HB3  ALA 115           HB3      ALA 115  12.253   1.249  19.759
  309    H    VAL 116           H        VAL 116  12.612   2.797  16.250
  310    HA   VAL 116           HA       VAL 116  11.027   5.111  15.723
  311    HB   VAL 116           HB       VAL 116  13.232   3.817  14.087
  312   HG11  VAL 116          HG11      VAL 116  13.504   6.088  13.072
  313   HG12  VAL 116          HG12      VAL 116  11.976   5.320  12.619
  314   HG13  VAL 116          HG13      VAL 116  11.996   6.598  13.857
  315   HG21  VAL 116          HG21      VAL 116  14.614   5.564  15.111
  316   HG22  VAL 116          HG22      VAL 116  13.237   6.192  16.022
  317   HG23  VAL 116          HG23      VAL 116  13.899   4.608  16.404
  318    H    GLU 117           H        GLU 117  11.122   1.962  13.915
  319    HA   GLU 117           HA       GLU 117   9.192   2.881  11.963
  320    HB2  GLU 117           HB2      GLU 117  10.054   0.120  12.913
  321    HB3  GLU 117           HB3      GLU 117   8.760   0.329  11.737
  322    HG2  GLU 117           HG2      GLU 117  11.620   1.302  11.391
  323    HG3  GLU 117           HG3      GLU 117  10.913  -0.122  10.634
  324    H    SER 118           H        SER 118   8.836   1.707  15.277
  325    HA   SER 118           HA       SER 118   5.954   1.363  15.135
  326    HB2  SER 118           HB2      SER 118   7.311   0.326  16.838
  327    HB3  SER 118           HB3      SER 118   7.615   1.912  17.582
  328    HG   SER 118           HG       SER 118   5.824   0.766  18.539
  329    H    TRP 119           H        TRP 119   8.088   4.186  15.546
  330    HA   TRP 119           HA       TRP 119   5.964   6.054  16.244
  331    HB2  TRP 119           HB2      TRP 119   8.575   6.735  14.877
  332    HB3  TRP 119           HB3      TRP 119   7.528   7.789  15.788
  333    HD1  TRP 119           HD1      TRP 119   7.546   5.329  18.228
  334    HE1  TRP 119           HE1      TRP 119   9.511   5.444  19.865
  335    HE3  TRP 119           HE3      TRP 119  10.691   8.392  15.541
  336    HZ2  TRP 119           HZ2      TRP 119  12.160   6.574  19.938
  337    HZ3  TRP 119           HZ3      TRP 119  12.857   9.085  16.514
  338    HH2  TRP 119           HH2      TRP 119  13.618   8.171  18.685
  339    H    ALA 120           H        ALA 120   6.796   4.456  13.276
  340    HA   ALA 120           HA       ALA 120   6.314   6.561  11.447
  341    HB1  ALA 120           HB1      ALA 120   7.482   4.369  10.959
  342    HB2  ALA 120           HB2      ALA 120   5.878   3.618  10.865
  343    HB3  ALA 120           HB3      ALA 120   6.319   4.908   9.728
  344    H    THR 121           H        THR 121   4.575   7.215  10.251
  345    HA   THR 121           HA       THR 121   1.965   5.776  10.361
  346    HB   THR 121           HB       THR 121   0.947   8.184  10.248
  347    HG1  THR 121           HG1      THR 121   3.326   8.690  11.715
  348   HG21  THR 121          HG21      THR 121   1.968   7.122  12.904
  349   HG22  THR 121          HG22      THR 121   0.657   8.301  12.668
  350   HG23  THR 121          HG23      THR 121   0.464   6.646  12.078
  351    H    LEU 122           H        LEU 122   1.317   5.262   8.487
  352    HA   LEU 122           HA       LEU 122   2.507   6.309   6.035
  353    HB2  LEU 122           HB2      LEU 122   0.379   4.271   6.765
  354    HB3  LEU 122           HB3      LEU 122   0.705   4.684   5.077
  355    HG   LEU 122           HG       LEU 122   2.892   3.710   6.963
  356   HD11  LEU 122          HD11      LEU 122   1.154   2.071   5.056
  357   HD12  LEU 122          HD12      LEU 122   2.594   1.479   5.923
  358   HD13  LEU 122          HD13      LEU 122   1.158   1.970   6.834
  359   HD21  LEU 122          HD21      LEU 122   3.639   4.848   4.850
  360   HD22  LEU 122          HD22      LEU 122   4.019   3.118   4.822
  361   HD23  LEU 122          HD23      LEU 122   2.632   3.730   3.906
  362    H    LEU 123           H        LEU 123   1.891   8.157   5.117
  363    HA   LEU 123           HA       LEU 123  -0.667   9.433   5.803
  364    HB2  LEU 123           HB2      LEU 123   1.463  10.284   3.794
  365    HB3  LEU 123           HB3      LEU 123   0.145  11.270   4.416
  366    HG   LEU 123           HG       LEU 123   2.608  10.318   5.935
  367   HD11  LEU 123          HD11      LEU 123   1.483  13.087   5.358
  368   HD12  LEU 123          HD12      LEU 123   3.004  12.711   6.191
  369   HD13  LEU 123          HD13      LEU 123   2.819  12.316   4.477
  370   HD21  LEU 123          HD21      LEU 123   0.101  11.705   7.005
  371   HD22  LEU 123          HD22      LEU 123   0.774  10.144   7.539
  372   HD23  LEU 123          HD23      LEU 123   1.651  11.639   7.872
  373    H    GLY 124           H        GLY 124  -2.185  10.214   4.173
  374    HA2  GLY 124           HA2      GLY 124  -2.319   8.916   1.537
  375    HA3  GLY 124           HA3      GLY 124  -3.465   8.300   2.732
  376    H    HIS 125           H        HIS 125  -2.365  11.677   2.292
  377    HA   HIS 125           HA       HIS 125  -4.920  12.560   1.156
  378    HB2  HIS 125           HB2      HIS 125  -5.344  14.177   2.995
  379    HB3  HIS 125           HB3      HIS 125  -5.577  12.497   3.448
  380    HD1  HIS 125           HD1      HIS 125  -2.163  14.287   3.524
  381    HD2  HIS 125           HD2      HIS 125  -5.170  12.736   6.040
  382    HE1  HIS 125           HE1      HIS 125  -1.237  14.445   5.955
  383    HE2  HIS 125           HE2      HIS 125  -3.094  13.470   7.476
  Start of MODEL   10
    1    H    ALA  79           H1       ALA  79   3.722   0.349   0.520
    2    HA   ALA  79           HA       ALA  79   3.884   0.346  -2.429
    3    HB1  ALA  79           HB1      ALA  79   1.952   1.881  -2.391
    4    HB2  ALA  79           HB2      ALA  79   1.532   0.374  -1.582
    5    HB3  ALA  79           HB3      ALA  79   1.897   1.820  -0.620
    6    H    ARG  80           H        ARG  80   3.885   2.789  -3.181
    7    HA   ARG  80           HA       ARG  80   6.423   3.916  -2.283
    8    HB2  ARG  80           HB2      ARG  80   4.480   4.828  -4.404
    9    HB3  ARG  80           HB3      ARG  80   6.107   5.479  -4.087
   10    HG2  ARG  80           HG2      ARG  80   7.083   3.238  -4.428
   11    HG3  ARG  80           HG3      ARG  80   5.489   2.602  -4.868
   12    HD2  ARG  80           HD2      ARG  80   5.354   4.190  -6.758
   13    HD3  ARG  80           HD3      ARG  80   6.947   4.847  -6.324
   14    HE   ARG  80           HE       ARG  80   7.222   2.043  -6.648
   15   HH11  ARG  80          HH11      ARG  80   6.593   4.809  -8.711
   16   HH12  ARG  80          HH12      ARG  80   7.289   4.040 -10.112
   17   HH21  ARG  80          HH21      ARG  80   8.081   1.114  -8.478
   18   HH22  ARG  80          HH22      ARG  80   8.102   1.994  -9.976
   19    H    LYS  81           H        LYS  81   3.407   4.382  -0.967
   20    HA   LYS  81           HA       LYS  81   3.122   7.090  -0.450
   21    HB2  LYS  81           HB2      LYS  81   2.375   4.556   1.032
   22    HB3  LYS  81           HB3      LYS  81   2.137   6.087   1.863
   23    HG2  LYS  81           HG2      LYS  81   0.990   5.566  -0.907
   24    HG3  LYS  81           HG3      LYS  81   0.137   5.176   0.591
   25    HD2  LYS  81           HD2      LYS  81   0.345   7.567   1.315
   26    HD3  LYS  81           HD3      LYS  81   1.057   7.967  -0.260
   27    HE2  LYS  81           HE2      LYS  81  -0.978   7.225  -1.416
   28    HE3  LYS  81           HE3      LYS  81  -1.699   6.710   0.112
   29    HZ1  LYS  81           HZ1      LYS  81  -2.511   8.909  -0.491
   30    HZ2  LYS  81           HZ2      LYS  81  -1.597   9.069   0.862
   31    HZ3  LYS  81           HZ3      LYS  81  -1.006   9.523  -0.601
   32    H    VAL  82           H        VAL  82   3.405   8.383   1.322
   33    HA   VAL  82           HA       VAL  82   6.147   8.496   2.370
   34    HB   VAL  82           HB       VAL  82   3.688  10.236   2.798
   35   HG11  VAL  82          HG11      VAL  82   5.128  10.618   4.736
   36   HG12  VAL  82          HG12      VAL  82   6.557  10.770   3.678
   37   HG13  VAL  82          HG13      VAL  82   5.262  11.984   3.640
   38   HG21  VAL  82          HG21      VAL  82   4.851  11.838   1.315
   39   HG22  VAL  82          HG22      VAL  82   6.220  10.718   1.160
   40   HG23  VAL  82          HG23      VAL  82   4.630  10.301   0.476
   41    H    LYS  83           H        LYS  83   6.834   8.096   4.392
   42    HA   LYS  83           HA       LYS  83   4.888   7.321   6.548
   43    HB2  LYS  83           HB2      LYS  83   7.811   6.576   6.081
   44    HB3  LYS  83           HB3      LYS  83   7.050   6.502   7.686
   45    HG2  LYS  83           HG2      LYS  83   5.336   4.958   6.852
   46    HG3  LYS  83           HG3      LYS  83   6.107   4.949   5.250
   47    HD2  LYS  83           HD2      LYS  83   8.135   3.965   6.159
   48    HD3  LYS  83           HD3      LYS  83   7.562   4.182   7.827
   49    HE2  LYS  83           HE2      LYS  83   5.740   2.596   7.470
   50    HE3  LYS  83           HE3      LYS  83   6.215   2.379   5.774
   51    HZ1  LYS  83           HZ1      LYS  83   7.118   0.605   7.218
   52    HZ2  LYS  83           HZ2      LYS  83   8.341   1.453   6.546
   53    HZ3  LYS  83           HZ3      LYS  83   7.953   1.686   8.118
   54    H    GLN  84           H        GLN  84   4.517   8.841   7.903
   55    HA   GLN  84           HA       GLN  84   6.355  11.121   8.430
   56    HB2  GLN  84           HB2      GLN  84   4.012  11.650   8.145
   57    HB3  GLN  84           HB3      GLN  84   3.519  10.347   9.208
   58    HG2  GLN  84           HG2      GLN  84   4.560  11.573  11.142
   59    HG3  GLN  84           HG3      GLN  84   4.960  12.897  10.037
   60   HE21  GLN  84          HE22      GLN  84   2.118  10.849  11.011
   61   HE22  GLN  84          HE21      GLN  84   0.987  12.207  11.027
   62    H    TYR  85           H        TYR  85   7.377  11.313  10.414
   63    HA   TYR  85           HA       TYR  85   7.028   9.173  12.480
   64    HB2  TYR  85           HB2      TYR  85   9.692  10.226  11.444
   65    HB3  TYR  85           HB3      TYR  85   9.488   9.167  12.821
   66    HD1  TYR  85           HD2      TYR  85   9.268   9.376   9.110
   67    HD2  TYR  85           HD1      TYR  85   9.261   6.805  12.568
   68    HE1  TYR  85           HE2      TYR  85   9.744   7.417   7.659
   69    HE2  TYR  85           HE1      TYR  85   9.758   4.838  11.117
   70    HH   TYR  85           HH       TYR  85  10.229   5.155   7.569
   71    H    LYS  86           H        LYS  86   7.486   9.876  14.588
   72    HA   LYS  86           HA       LYS  86   8.177  12.738  15.058
   73    HB2  LYS  86           HB2      LYS  86   5.730  12.501  15.204
   74    HB3  LYS  86           HB3      LYS  86   5.905  11.163  16.347
   75    HG2  LYS  86           HG2      LYS  86   6.845  12.629  18.044
   76    HG3  LYS  86           HG3      LYS  86   6.912  13.984  16.911
   77    HD2  LYS  86           HD2      LYS  86   4.422  13.931  16.725
   78    HD3  LYS  86           HD3      LYS  86   4.378  12.592  17.891
   79    HE2  LYS  86           HE2      LYS  86   5.488  14.055  19.587
   80    HE3  LYS  86           HE3      LYS  86   5.517  15.383  18.425
   81    HZ1  LYS  86           HZ1      LYS  86   3.039  14.096  19.476
   82    HZ2  LYS  86           HZ2      LYS  86   3.605  15.559  19.924
   83    HZ3  LYS  86           HZ3      LYS  86   3.069  15.328  18.401
   84    H    ASN  87           H        ASN  87   9.463  13.072  16.830
   85    HA   ASN  87           HA       ASN  87  10.377  10.623  18.336
   86    HB2  ASN  87           HB2      ASN  87  12.015  11.519  16.753
   87    HB3  ASN  87           HB3      ASN  87  12.039  13.050  17.625
   88   HD21  ASN  87          HD22      ASN  87  14.410  11.711  17.347
   89   HD22  ASN  87          HD21      ASN  87  14.848  10.954  18.872
   90    HA   PRO  88           HA       PRO  88   8.230  13.012  21.642
   91    HB2  PRO  88           HB2      PRO  88   9.029  10.388  22.936
   92    HB3  PRO  88           HB3      PRO  88   7.540  11.356  23.192
   93    HG2  PRO  88           HG2      PRO  88   7.500   9.200  21.556
   94    HG3  PRO  88           HG3      PRO  88   6.685  10.720  21.054
   95    HD2  PRO  88           HD2      PRO  88   9.349   9.631  20.170
   96    HD3  PRO  88           HD3      PRO  88   8.078  10.466  19.225
   97    H    HIS  89           H        HIS  89  11.460  11.575  21.639
   98    HA   HIS  89           HA       HIS  89  12.343  12.653  24.180
   99    HB2  HIS  89           HB2      HIS  89  14.047  11.728  21.829
  100    HB3  HIS  89           HB3      HIS  89  14.531  11.854  23.518
  101    HD1  HIS  89           HD1      HIS  89  12.814   9.508  21.122
  102    HD2  HIS  89           HD2      HIS  89  13.308  10.068  25.282
  103    HE1  HIS  89           HE1      HIS  89  12.028   7.304  22.276
  104    HE2  HIS  89           HE2      HIS  89  12.359   7.667  24.798
  105    H    THR  90           H        THR  90  12.180  14.031  20.969
  106    HA   THR  90           HA       THR  90  13.686  16.472  21.865
  107    HB   THR  90           HB       THR  90  14.436  16.704  19.569
  108    HG1  THR  90           HG1      THR  90  13.908  15.097  18.064
  109   HG21  THR  90          HG21      THR  90  14.850  13.789  20.367
  110   HG22  THR  90          HG22      THR  90  15.899  14.786  19.336
  111   HG23  THR  90          HG23      THR  90  15.766  15.149  21.065
  112    H    GLY  91           H        GLY  91  10.746  15.276  20.388
  113    HA2  GLY  91           HA2      GLY  91   8.722  16.477  20.222
  114    HA3  GLY  91           HA3      GLY  91   9.592  18.012  20.266
  115    H    GLU  92           H        GLU  92  11.394  16.272  18.107
  116    HA   GLU  92           HA       GLU  92  10.408  17.706  15.837
  117    HB2  GLU  92           HB2      GLU  92  12.574  15.713  16.409
  118    HB3  GLU  92           HB3      GLU  92  12.028  15.817  14.731
  119    HG2  GLU  92           HG2      GLU  92  12.372  18.068  14.543
  120    HG3  GLU  92           HG3      GLU  92  12.739  18.273  16.287
  121    H    VAL  93           H        VAL  93   9.524  17.115  13.946
  122    HA   VAL  93           HA       VAL  93   8.435  14.384  13.533
  123    HB   VAL  93           HB       VAL  93   7.166  17.034  12.793
  124   HG11  VAL  93          HG11      VAL  93   5.158  15.685  12.215
  125   HG12  VAL  93          HG12      VAL  93   6.538  15.212  11.220
  126   HG13  VAL  93          HG13      VAL  93   6.049  14.196  12.598
  127   HG21  VAL  93          HG21      VAL  93   5.418  16.537  14.462
  128   HG22  VAL  93          HG22      VAL  93   6.368  15.130  14.998
  129   HG23  VAL  93          HG23      VAL  93   7.022  16.779  15.177
  130    H    ILE  94           H        ILE  94   8.695  13.621  11.468
  131    HA   ILE  94           HA       ILE  94   9.731  15.324   9.295
  132    HB   ILE  94           HB       ILE  94  11.517  13.678   8.752
  133   HG12  ILE  94          HG12      ILE  94  10.967  12.509  11.511
  134   HG13  ILE  94          HG13      ILE  94  10.609  11.728   9.971
  135   HG21  ILE  94          HG21      ILE  94  11.959  15.814   9.957
  136   HG22  ILE  94          HG22      ILE  94  11.936  14.923  11.494
  137   HG23  ILE  94          HG23      ILE  94  13.159  14.559  10.260
  138   HD11  ILE  94          HD11      ILE  94  12.640  10.808  10.918
  139   HD12  ILE  94          HD12      ILE  94  12.999  11.666   9.414
  140   HD13  ILE  94          HD13      ILE  94  13.395  12.402  10.992
  141    H    GLU  95           H        GLU  95   9.762  14.196   7.273
  142    HA   GLU  95           HA       GLU  95   7.918  11.876   6.925
  143    HB2  GLU  95           HB2      GLU  95   7.720  14.638   5.644
  144    HB3  GLU  95           HB3      GLU  95   6.965  13.210   4.936
  145    HG2  GLU  95           HG2      GLU  95   5.477  12.926   6.774
  146    HG3  GLU  95           HG3      GLU  95   6.333  14.107   7.766
  147    H    THR  96           H        THR  96   8.571  10.464   5.430
  148    HA   THR  96           HA       THR  96  10.267  11.259   3.145
  149    HB   THR  96           HB       THR  96  12.008  10.842   4.691
  150    HG1  THR  96           HG1      THR  96  12.994   9.097   3.732
  151   HG21  THR  96          HG21      THR  96  10.847   9.690   6.513
  152   HG22  THR  96          HG22      THR  96  10.626   8.250   5.485
  153   HG23  THR  96          HG23      THR  96  12.254   8.759   5.984
  154    H    LYS  97           H        LYS  97  10.395   9.587   1.489
  155    HA   LYS  97           HA       LYS  97   8.066   7.727   1.437
  156    HB2  LYS  97           HB2      LYS  97  10.172   8.457  -0.644
  157    HB3  LYS  97           HB3      LYS  97   8.863   7.295  -0.906
  158    HG2  LYS  97           HG2      LYS  97   7.175   9.033  -0.437
  159    HG3  LYS  97           HG3      LYS  97   8.463  10.233  -0.225
  160    HD2  LYS  97           HD2      LYS  97   9.222   9.848  -2.557
  161    HD3  LYS  97           HD3      LYS  97   7.923   8.654  -2.780
  162    HE2  LYS  97           HE2      LYS  97   6.229  10.418  -2.321
  163    HE3  LYS  97           HE3      LYS  97   7.519  11.602  -2.068
  164    HZ1  LYS  97           HZ1      LYS  97   6.989  10.178  -4.631
  165    HZ2  LYS  97           HZ2      LYS  97   6.623  11.741  -4.324
  166    HZ3  LYS  97           HZ3      LYS  97   8.185  11.271  -4.401
  167    H    GLY  98           H        GLY  98  11.138   7.519   2.697
  168    HA2  GLY  98           HA2      GLY  98  11.648   5.411   3.829
  169    HA3  GLY  98           HA3      GLY  98  11.222   4.527   2.364
  170    H    GLY  99           H        GLY  99  12.972   7.275   1.432
  171    HA2  GLY  99           HA2      GLY  99  15.363   5.778   0.733
  172    HA3  GLY  99           HA3      GLY  99  15.073   7.493   0.482
  173    H    ASN 100           H        ASN 100  17.525   7.048   1.100
  174    HA   ASN 100           HA       ASN 100  18.222   6.834   3.882
  175    HB2  ASN 100           HB2      ASN 100  19.724   6.218   2.026
  176    HB3  ASN 100           HB3      ASN 100  19.791   7.905   1.508
  177   HD21  ASN 100          HD22      ASN 100  22.158   7.693   1.790
  178   HD22  ASN 100          HD21      ASN 100  22.820   7.844   3.411
  179    H    HIS 101           H        HIS 101  16.778   8.320   4.891
  180    HA   HIS 101           HA       HIS 101  17.349  11.238   4.606
  181    HB2  HIS 101           HB2      HIS 101  15.018  10.333   4.413
  182    HB3  HIS 101           HB3      HIS 101  15.091   9.822   6.100
  183    HD1  HIS 101           HD1      HIS 101  15.008  11.867   7.923
  184    HD2  HIS 101           HD2      HIS 101  14.743  12.926   3.852
  185    HE1  HIS 101           HE1      HIS 101  14.506  14.406   7.872
  186    HE2  HIS 101           HE2      HIS 101  14.267  15.019   5.371
  187    H    LYS 102           H        LYS 102  19.250  11.527   5.716
  188    HA   LYS 102           HA       LYS 102  20.416  10.202   7.743
  189    HB2  LYS 102           HB2      LYS 102  21.419  12.035   6.430
  190    HB3  LYS 102           HB3      LYS 102  20.469  13.220   7.309
  191    HG2  LYS 102           HG2      LYS 102  22.730  13.259   8.096
  192    HG3  LYS 102           HG3      LYS 102  21.696  12.688   9.395
  193    HD2  LYS 102           HD2      LYS 102  22.443  10.355   9.007
  194    HD3  LYS 102           HD3      LYS 102  23.384  10.886   7.593
  195    HE2  LYS 102           HE2      LYS 102  24.708  12.405   9.085
  196    HE3  LYS 102           HE3      LYS 102  23.816  11.798  10.481
  197    HZ1  LYS 102           HZ1      LYS 102  25.560  10.149   8.705
  198    HZ2  LYS 102           HZ2      LYS 102  25.945  10.648  10.207
  199    HZ3  LYS 102           HZ3      LYS 102  24.741   9.566  10.002
  200    H    THR 103           H        THR 103  18.153  12.889   8.530
  201    HA   THR 103           HA       THR 103  18.378  12.771  11.325
  202    HB   THR 103           HB       THR 103  15.731  13.230   9.902
  203    HG1  THR 103           HG1      THR 103  17.785  15.162  10.115
  204   HG21  THR 103          HG21      THR 103  15.462  15.055  11.535
  205   HG22  THR 103          HG22      THR 103  15.613  13.481  12.328
  206   HG23  THR 103          HG23      THR 103  16.998  14.595  12.308
  207    H    LEU 104           H        LEU 104  16.503  10.601   9.232
  208    HA   LEU 104           HA       LEU 104  15.059   9.313  11.461
  209    HB2  LEU 104           HB2      LEU 104  14.148   9.492   9.068
  210    HB3  LEU 104           HB3      LEU 104  15.447   8.424   8.551
  211    HG   LEU 104           HG       LEU 104  14.534   6.710  10.254
  212   HD11  LEU 104          HD11      LEU 104  12.161   6.972  10.871
  213   HD12  LEU 104          HD12      LEU 104  13.142   8.238  11.618
  214   HD13  LEU 104          HD13      LEU 104  12.145   8.604  10.187
  215   HD21  LEU 104          HD21      LEU 104  12.798   5.920   8.768
  216   HD22  LEU 104          HD22      LEU 104  12.657   7.523   8.013
  217   HD23  LEU 104          HD23      LEU 104  14.138   6.556   7.801
  218    H    LYS 105           H        LYS 105  17.860   8.598   9.286
  219    HA   LYS 105           HA       LYS 105  18.584   6.107  10.390
  220    HB2  LYS 105           HB2      LYS 105  19.519   7.407   8.341
  221    HB3  LYS 105           HB3      LYS 105  20.621   8.177   9.520
  222    HG2  LYS 105           HG2      LYS 105  21.489   5.957  10.161
  223    HG3  LYS 105           HG3      LYS 105  20.355   5.181   9.039
  224    HD2  LYS 105           HD2      LYS 105  21.453   6.317   7.121
  225    HD3  LYS 105           HD3      LYS 105  22.527   7.165   8.230
  226    HE2  LYS 105           HE2      LYS 105  23.799   5.394   7.322
  227    HE3  LYS 105           HE3      LYS 105  23.451   4.957   8.997
  228    HZ1  LYS 105           HZ1      LYS 105  23.112   3.079   7.458
  229    HZ2  LYS 105           HZ2      LYS 105  21.693   3.454   8.157
  230    HZ3  LYS 105           HZ3      LYS 105  21.990   3.904   6.610
  231    H    GLU 106           H        GLU 106  19.596   9.369  11.437
  232    HA   GLU 106           HA       GLU 106  21.155   8.574  13.633
  233    HB2  GLU 106           HB2      GLU 106  19.516  11.040  12.986
  234    HB3  GLU 106           HB3      GLU 106  20.156  10.855  14.615
  235    HG2  GLU 106           HG2      GLU 106  22.429  10.501  13.681
  236    HG3  GLU 106           HG3      GLU 106  21.775  10.812  12.054
  237    H    TRP 107           H        TRP 107  17.620   9.129  13.527
  238    HA   TRP 107           HA       TRP 107  17.224   8.519  16.301
  239    HB2  TRP 107           HB2      TRP 107  15.270   8.371  13.981
  240    HB3  TRP 107           HB3      TRP 107  14.843   8.254  15.677
  241    HD1  TRP 107           HD1      TRP 107  17.312  10.860  15.759
  242    HE1  TRP 107           HE1      TRP 107  16.326  13.207  15.585
  243    HE3  TRP 107           HE3      TRP 107  12.612   9.664  14.055
  244    HZ2  TRP 107           HZ2      TRP 107  13.900  14.421  14.743
  245    HZ3  TRP 107           HZ3      TRP 107  10.959  11.474  13.624
  246    HH2  TRP 107           HH2      TRP 107  11.606  13.875  13.938
  247    H    LYS 108           H        LYS 108  17.141   6.407  13.411
  248    HA   LYS 108           HA       LYS 108  16.336   3.995  14.814
  249    HB2  LYS 108           HB2      LYS 108  17.993   4.339  12.271
  250    HB3  LYS 108           HB3      LYS 108  17.294   2.798  12.844
  251    HG2  LYS 108           HG2      LYS 108  15.010   3.703  12.598
  252    HG3  LYS 108           HG3      LYS 108  15.645   5.262  12.146
  253    HD2  LYS 108           HD2      LYS 108  15.340   4.572  10.029
  254    HD3  LYS 108           HD3      LYS 108  16.880   3.737  10.239
  255    HE2  LYS 108           HE2      LYS 108  15.605   1.691  10.960
  256    HE3  LYS 108           HE3      LYS 108  14.087   2.578  10.715
  257    HZ1  LYS 108           HZ1      LYS 108  14.627   1.204   8.768
  258    HZ2  LYS 108           HZ2      LYS 108  14.682   2.775   8.335
  259    HZ3  LYS 108           HZ3      LYS 108  16.072   1.930   8.569
  260    H    ALA 109           H        ALA 109  19.507   5.476  14.218
  261    HA   ALA 109           HA       ALA 109  21.056   3.369  15.444
  262    HB1  ALA 109           HB1      ALA 109  21.965   5.006  13.829
  263    HB2  ALA 109           HB2      ALA 109  21.688   6.323  14.995
  264    HB3  ALA 109           HB3      ALA 109  22.867   5.041  15.359
  265    H    LYS 110           H        LYS 110  19.605   6.359  16.713
  266    HA   LYS 110           HA       LYS 110  20.850   5.939  19.369
  267    HB2  LYS 110           HB2      LYS 110  19.405   8.298  18.117
  268    HB3  LYS 110           HB3      LYS 110  19.926   8.263  19.802
  269    HG2  LYS 110           HG2      LYS 110  22.247   7.762  19.123
  270    HG3  LYS 110           HG3      LYS 110  21.797   7.846  17.420
  271    HD2  LYS 110           HD2      LYS 110  21.405  10.195  19.326
  272    HD3  LYS 110           HD3      LYS 110  22.943   9.875  18.515
  273    HE2  LYS 110           HE2      LYS 110  21.805   9.978  16.290
  274    HE3  LYS 110           HE3      LYS 110  20.285  10.392  17.106
  275    HZ1  LYS 110           HZ1      LYS 110  22.785  12.007  17.361
  276    HZ2  LYS 110           HZ2      LYS 110  21.640  12.356  16.266
  277    HZ3  LYS 110           HZ3      LYS 110  21.300  12.449  17.882
  278    H    TRP 111           H        TRP 111  17.647   5.422  18.136
  279    HA   TRP 111           HA       TRP 111  16.832   4.623  20.915
  280    HB2  TRP 111           HB2      TRP 111  15.187   6.022  18.776
  281    HB3  TRP 111           HB3      TRP 111  14.491   5.246  20.183
  282    HD1  TRP 111           HD1      TRP 111  15.188   6.155  22.627
  283    HE1  TRP 111           HE1      TRP 111  15.893   8.477  23.465
  284    HE3  TRP 111           HE3      TRP 111  16.301   8.305  18.151
  285    HZ2  TRP 111           HZ2      TRP 111  16.920  10.929  22.329
  286    HZ3  TRP 111           HZ3      TRP 111  17.218  10.636  18.048
  287    HH2  TRP 111           HH2      TRP 111  17.518  11.950  20.128
  288    H    GLY 112           H        GLY 112  17.354   3.422  17.792
  289    HA2  GLY 112           HA2      GLY 112  17.417   1.076  17.477
  290    HA3  GLY 112           HA3      GLY 112  16.000   0.854  18.496
  291    HA   PRO 113           HA       PRO 113  15.007   1.905  13.854
  292    HB2  PRO 113           HB2      PRO 113  15.191  -0.569  12.543
  293    HB3  PRO 113           HB3      PRO 113  16.425   0.726  12.531
  294    HG2  PRO 113           HG2      PRO 113  16.338  -1.732  14.241
  295    HG3  PRO 113           HG3      PRO 113  17.746  -0.925  13.434
  296    HD2  PRO 113           HD2      PRO 113  17.225  -0.653  16.081
  297    HD3  PRO 113           HD3      PRO 113  17.904   0.678  15.092
  298    H    GLU 114           H        GLU 114  14.211  -1.066  15.697
  299    HA   GLU 114           HA       GLU 114  11.599  -1.438  14.595
  300    HB2  GLU 114           HB2      GLU 114  12.835  -2.283  17.243
  301    HB3  GLU 114           HB3      GLU 114  11.249  -2.822  16.676
  302    HG2  GLU 114           HG2      GLU 114  12.313  -3.798  14.646
  303    HG3  GLU 114           HG3      GLU 114  13.902  -3.331  15.261
  304    H    ALA 115           H        ALA 115  12.787   0.385  17.392
  305    HA   ALA 115           HA       ALA 115  10.205   1.213  18.411
  306    HB1  ALA 115           HB1      ALA 115  12.958   2.489  18.670
  307    HB2  ALA 115           HB2      ALA 115  11.540   2.884  19.657
  308    HB3  ALA 115           HB3      ALA 115  12.277   1.264  19.755
  309    H    VAL 116           H        VAL 116  12.595   2.808  16.240
  310    HA   VAL 116           HA       VAL 116  11.012   5.125  15.713
  311    HB   VAL 116           HB       VAL 116  13.210   3.813  14.082
  312   HG11  VAL 116          HG11      VAL 116  13.488   6.081  13.052
  313   HG12  VAL 116          HG12      VAL 116  11.959   5.312  12.598
  314   HG13  VAL 116          HG13      VAL 116  11.979   6.592  13.827
  315   HG21  VAL 116          HG21      VAL 116  14.611   5.543  15.096
  316   HG22  VAL 116          HG22      VAL 116  13.239   6.212  15.983
  317   HG23  VAL 116          HG23      VAL 116  13.876   4.625  16.404
  318    H    GLU 117           H        GLU 117  11.110   1.977  13.920
  319    HA   GLU 117           HA       GLU 117   9.174   2.793  11.935
  320    HB2  GLU 117           HB2      GLU 117  10.107   0.128  13.051
  321    HB3  GLU 117           HB3      GLU 117   8.765   0.185  11.927
  322    HG2  GLU 117           HG2      GLU 117  11.436   1.498  11.275
  323    HG3  GLU 117           HG3      GLU 117  11.135  -0.214  11.002
  324    H    SER 118           H        SER 118   8.829   1.677  15.294
  325    HA   SER 118           HA       SER 118   5.952   1.339  15.191
  326    HB2  SER 118           HB2      SER 118   7.334   0.317  16.877
  327    HB3  SER 118           HB3      SER 118   7.637   1.912  17.620
  328    HG   SER 118           HG       SER 118   5.867   0.754  18.596
  329    H    TRP 119           H        TRP 119   8.075   4.168  15.551
  330    HA   TRP 119           HA       TRP 119   5.951   6.029  16.278
  331    HB2  TRP 119           HB2      TRP 119   8.574   6.714  14.921
  332    HB3  TRP 119           HB3      TRP 119   7.512   7.775  15.806
  333    HD1  TRP 119           HD1      TRP 119   7.457   5.389  18.283
  334    HE1  TRP 119           HE1      TRP 119   9.380   5.526  19.960
  335    HE3  TRP 119           HE3      TRP 119  10.710   8.334  15.587
  336    HZ2  TRP 119           HZ2      TRP 119  12.057   6.593  20.054
  337    HZ3  TRP 119           HZ3      TRP 119  12.872   9.001  16.576
  338    HH2  TRP 119           HH2      TRP 119  13.577   8.120  18.787
  339    H    ALA 120           H        ALA 120   6.753   4.440  13.304
  340    HA   ALA 120           HA       ALA 120   6.284   6.563  11.493
  341    HB1  ALA 120           HB1      ALA 120   5.837   3.625  10.882
  342    HB2  ALA 120           HB2      ALA 120   6.299   4.924   9.766
  343    HB3  ALA 120           HB3      ALA 120   7.442   4.357  10.996
  344    H    THR 121           H        THR 121   4.556   7.214  10.292
  345    HA   THR 121           HA       THR 121   1.951   5.762  10.358
  346    HB   THR 121           HB       THR 121   0.921   8.160  10.216
  347    HG1  THR 121           HG1      THR 121   3.234   8.699  11.778
  348   HG21  THR 121          HG21      THR 121   0.407   6.613  12.037
  349   HG22  THR 121          HG22      THR 121   1.880   7.107  12.900
  350   HG23  THR 121          HG23      THR 121   0.569   8.277  12.626
  351    H    LEU 122           H        LEU 122   1.484   5.177   8.455
  352    HA   LEU 122           HA       LEU 122   2.582   6.325   6.021
  353    HB2  LEU 122           HB2      LEU 122   0.421   4.317   6.731
  354    HB3  LEU 122           HB3      LEU 122   0.737   4.760   5.052
  355    HG   LEU 122           HG       LEU 122   2.911   3.680   6.899
  356   HD11  LEU 122          HD11      LEU 122   2.547   1.494   5.796
  357   HD12  LEU 122          HD12      LEU 122   1.119   1.997   6.711
  358   HD13  LEU 122          HD13      LEU 122   1.131   2.151   4.943
  359   HD21  LEU 122          HD21      LEU 122   4.028   3.121   4.747
  360   HD22  LEU 122          HD22      LEU 122   2.660   3.796   3.847
  361   HD23  LEU 122          HD23      LEU 122   3.689   4.858   4.821
  362    H    LEU 123           H        LEU 123   1.787   7.984   4.815
  363    HA   LEU 123           HA       LEU 123  -0.636   9.382   5.726
  364    HB2  LEU 123           HB2      LEU 123   1.266  10.038   3.446
  365    HB3  LEU 123           HB3      LEU 123  -0.005  11.080   4.085
  366    HG   LEU 123           HG       LEU 123   2.556  10.236   5.487
  367   HD11  LEU 123          HD11      LEU 123   3.006  12.623   5.504
  368   HD12  LEU 123          HD12      LEU 123   2.645  12.119   3.843
  369   HD13  LEU 123          HD13      LEU 123   1.415  12.974   4.794
  370   HD21  LEU 123          HD21      LEU 123   1.769  11.733   7.368
  371   HD22  LEU 123          HD22      LEU 123   0.155  11.731   6.630
  372   HD23  LEU 123          HD23      LEU 123   0.871  10.220   7.240
  373    H    GLY 124           H        GLY 124  -1.529   7.018   5.073
  374    HA2  GLY 124           HA2      GLY 124  -3.662   7.409   3.310
  375    HA3  GLY 124           HA3      GLY 124  -2.422   6.564   2.372
  376    H    HIS 125           H        HIS 125  -4.677   5.255   2.572
  377    HA   HIS 125           HA       HIS 125  -4.044   2.865   4.127
  378    HB2  HIS 125           HB2      HIS 125  -6.293   2.754   5.192
  379    HB3  HIS 125           HB3      HIS 125  -5.243   4.004   5.840
  380    HD1  HIS 125           HD1      HIS 125  -7.406   4.515   2.699
  381    HD2  HIS 125           HD2      HIS 125  -7.113   5.638   6.754
  382    HE1  HIS 125           HE1      HIS 125  -9.188   6.379   3.076
  383    HE2  HIS 125           HE2      HIS 125  -8.984   7.054   5.556
  Start of MODEL   11
    1    H    ALA  79           H1       ALA  79   5.494   1.545  -0.405
    2    HA   ALA  79           HA       ALA  79   5.850   1.584  -2.791
    3    HB1  ALA  79           HB1      ALA  79   4.218   0.551  -4.309
    4    HB2  ALA  79           HB2      ALA  79   4.967  -0.676  -3.275
    5    HB3  ALA  79           HB3      ALA  79   3.314  -0.116  -2.934
    6    H    ARG  80           H        ARG  80   5.435   3.529  -3.501
    7    HA   ARG  80           HA       ARG  80   4.504   5.544  -3.988
    8    HB2  ARG  80           HB2      ARG  80   2.048   3.869  -4.369
    9    HB3  ARG  80           HB3      ARG  80   2.340   5.517  -4.974
   10    HG2  ARG  80           HG2      ARG  80   4.417   4.708  -6.129
   11    HG3  ARG  80           HG3      ARG  80   3.997   3.058  -5.651
   12    HD2  ARG  80           HD2      ARG  80   3.243   3.335  -7.873
   13    HD3  ARG  80           HD3      ARG  80   1.807   3.327  -6.820
   14    HE   ARG  80           HE       ARG  80   2.720   6.021  -7.293
   15   HH11  ARG  80          HH21      ARG  80   1.003   3.473  -8.979
   16   HH12  ARG  80          HH22      ARG  80   0.172   4.596 -10.022
   17   HH21  ARG  80          HH11      ARG  80   1.619   7.403  -8.652
   18   HH22  ARG  80          HH12      ARG  80   0.521   6.766  -9.837
   19    H    LYS  81           H        LYS  81   4.657   5.136  -1.157
   20    HA   LYS  81           HA       LYS  81   2.591   7.076  -0.173
   21    HB2  LYS  81           HB2      LYS  81   3.327   4.390   1.063
   22    HB3  LYS  81           HB3      LYS  81   2.421   5.637   1.929
   23    HG2  LYS  81           HG2      LYS  81   0.607   5.535   0.279
   24    HG3  LYS  81           HG3      LYS  81   1.511   4.375  -0.683
   25    HD2  LYS  81           HD2      LYS  81   1.483   2.820   1.387
   26    HD3  LYS  81           HD3      LYS  81   0.302   3.957   2.062
   27    HE2  LYS  81           HE2      LYS  81  -1.033   2.304   1.046
   28    HE3  LYS  81           HE3      LYS  81  -1.038   3.645  -0.112
   29    HZ1  LYS  81           HZ1      LYS  81   0.590   1.154  -0.302
   30    HZ2  LYS  81           HZ2      LYS  81  -0.659   1.565  -1.260
   31    HZ3  LYS  81           HZ3      LYS  81   0.745   2.402  -1.354
   32    H    VAL  82           H        VAL  82   3.090   8.147   1.711
   33    HA   VAL  82           HA       VAL  82   6.007   8.521   2.337
   34    HB   VAL  82           HB       VAL  82   3.546  10.259   2.797
   35   HG11  VAL  82          HG11      VAL  82   4.980  10.694   4.691
   36   HG12  VAL  82          HG12      VAL  82   6.423  10.799   3.641
   37   HG13  VAL  82          HG13      VAL  82   5.149  12.025   3.555
   38   HG21  VAL  82          HG21      VAL  82   4.397  10.221   0.470
   39   HG22  VAL  82          HG22      VAL  82   4.639  11.801   1.229
   40   HG23  VAL  82          HG23      VAL  82   6.014  10.687   1.056
   41    H    LYS  83           H        LYS  83   6.762   8.126   4.357
   42    HA   LYS  83           HA       LYS  83   4.865   7.339   6.553
   43    HB2  LYS  83           HB2      LYS  83   7.780   6.628   6.032
   44    HB3  LYS  83           HB3      LYS  83   7.050   6.529   7.647
   45    HG2  LYS  83           HG2      LYS  83   5.329   4.988   6.839
   46    HG3  LYS  83           HG3      LYS  83   6.049   5.012   5.214
   47    HD2  LYS  83           HD2      LYS  83   8.108   4.021   6.032
   48    HD3  LYS  83           HD3      LYS  83   7.587   4.183   7.721
   49    HE2  LYS  83           HE2      LYS  83   5.787   2.587   7.411
   50    HE3  LYS  83           HE3      LYS  83   6.107   2.481   5.673
   51    HZ1  LYS  83           HZ1      LYS  83   7.117   0.612   6.915
   52    HZ2  LYS  83           HZ2      LYS  83   8.278   1.487   6.177
   53    HZ3  LYS  83           HZ3      LYS  83   8.056   1.619   7.792
   54    H    GLN  84           H        GLN  84   4.481   8.864   7.901
   55    HA   GLN  84           HA       GLN  84   6.323  11.142   8.442
   56    HB2  GLN  84           HB2      GLN  84   3.985  11.677   8.178
   57    HB3  GLN  84           HB3      GLN  84   3.489  10.360   9.225
   58    HG2  GLN  84           HG2      GLN  84   4.531  11.556  11.177
   59    HG3  GLN  84           HG3      GLN  84   4.936  12.900  10.094
   60   HE21  GLN  84          HE22      GLN  84   2.094  10.837  11.045
   61   HE22  GLN  84          HE21      GLN  84   0.963  12.190  11.068
   62    H    TYR  85           H        TYR  85   7.337  11.325  10.433
   63    HA   TYR  85           HA       TYR  85   6.980   9.173  12.478
   64    HB2  TYR  85           HB2      TYR  85   9.654  10.244  11.496
   65    HB3  TYR  85           HB3      TYR  85   9.428   9.161  12.844
   66    HD1  TYR  85           HD1      TYR  85   9.155   9.441   9.120
   67    HD2  TYR  85           HD2      TYR  85   9.344   6.809  12.535
   68    HE1  TYR  85           HE1      TYR  85   9.620   7.510   7.624
   69    HE2  TYR  85           HE2      TYR  85   9.845   4.887  11.044
   70    HH   TYR  85           HH       TYR  85  10.287   4.226   8.888
   71    H    LYS  86           H        LYS  86   7.429   9.858  14.591
   72    HA   LYS  86           HA       LYS  86   8.096  12.724  15.087
   73    HB2  LYS  86           HB2      LYS  86   5.647  12.469  15.249
   74    HB3  LYS  86           HB3      LYS  86   5.841  11.116  16.374
   75    HG2  LYS  86           HG2      LYS  86   6.788  12.583  18.074
   76    HG3  LYS  86           HG3      LYS  86   6.821  13.947  16.943
   77    HD2  LYS  86           HD2      LYS  86   4.343  13.885  16.798
   78    HD3  LYS  86           HD3      LYS  86   4.312  12.511  17.925
   79    HE2  LYS  86           HE2      LYS  86   5.419  13.924  19.661
   80    HE3  LYS  86           HE3      LYS  86   5.453  15.286  18.532
   81    HZ1  LYS  86           HZ1      LYS  86   3.007  15.252  18.508
   82    HZ2  LYS  86           HZ2      LYS  86   2.966  13.986  19.549
   83    HZ3  LYS  86           HZ3      LYS  86   3.545  15.432  20.038
   84    H    ASN  87           H        ASN  87   9.379  13.052  16.863
   85    HA   ASN  87           HA       ASN  87  10.389  10.600  18.292
   86    HB2  ASN  87           HB2      ASN  87  11.956  11.559  16.691
   87    HB3  ASN  87           HB3      ASN  87  11.929  13.099  17.546
   88   HD21  ASN  87          HD22      ASN  87  14.328  11.656  17.148
   89   HD22  ASN  87          HD21      ASN  87  14.840  11.012  18.706
   90    HA   PRO  88           HA       PRO  88   8.241  12.916  21.661
   91    HB2  PRO  88           HB2      PRO  88   9.011  10.257  22.895
   92    HB3  PRO  88           HB3      PRO  88   7.529  11.231  23.171
   93    HG2  PRO  88           HG2      PRO  88   7.456   9.113  21.490
   94    HG3  PRO  88           HG3      PRO  88   6.667  10.652  21.015
   95    HD2  PRO  88           HD2      PRO  88   9.342   9.553  20.137
   96    HD3  PRO  88           HD3      PRO  88   8.082  10.397  19.186
   97    H    HIS  89           H        HIS  89  11.456  11.412  21.627
   98    HA   HIS  89           HA       HIS  89  12.306  12.519  24.187
   99    HB2  HIS  89           HB2      HIS  89  13.994  11.314  21.954
  100    HB3  HIS  89           HB3      HIS  89  14.463  11.540  23.634
  101    HD1  HIS  89           HD1      HIS  89  13.019   9.963  25.464
  102    HD2  HIS  89           HD2      HIS  89  12.735   9.074  21.346
  103    HE1  HIS  89           HE1      HIS  89  12.033   7.595  25.308
  104    HE2  HIS  89           HE2      HIS  89  11.853   7.052  22.798
  105    H    THR  90           H        THR  90  12.208  13.829  20.969
  106    HA   THR  90           HA       THR  90  13.869  16.177  21.840
  107    HB   THR  90           HB       THR  90  14.567  16.424  19.541
  108    HG1  THR  90           HG1      THR  90  13.913  14.921  18.003
  109   HG21  THR  90          HG21      THR  90  15.857  14.773  20.947
  110   HG22  THR  90          HG22      THR  90  14.845  13.470  20.269
  111   HG23  THR  90          HG23      THR  90  15.914  14.420  19.210
  112    H    GLY  91           H        GLY  91  10.838  15.159  20.420
  113    HA2  GLY  91           HA2      GLY  91   8.865  16.461  20.360
  114    HA3  GLY  91           HA3      GLY  91   9.811  17.948  20.370
  115    H    GLU  92           H        GLU  92  11.419  16.109  18.136
  116    HA   GLU  92           HA       GLU  92  10.419  17.649  15.932
  117    HB2  GLU  92           HB2      GLU  92  12.554  15.583  16.381
  118    HB3  GLU  92           HB3      GLU  92  11.971  15.777  14.723
  119    HG2  GLU  92           HG2      GLU  92  12.370  18.024  14.635
  120    HG3  GLU  92           HG3      GLU  92  12.793  18.139  16.373
  121    H    VAL  93           H        VAL  93   9.510  17.100  14.025
  122    HA   VAL  93           HA       VAL  93   8.372  14.395  13.575
  123    HB   VAL  93           HB       VAL  93   7.145  17.079  12.875
  124   HG11  VAL  93          HG11      VAL  93   5.123  15.762  12.279
  125   HG12  VAL  93          HG12      VAL  93   6.493  15.328  11.256
  126   HG13  VAL  93          HG13      VAL  93   6.018  14.259  12.599
  127   HG21  VAL  93          HG21      VAL  93   5.396  16.573  14.534
  128   HG22  VAL  93          HG22      VAL  93   6.322  15.139  15.044
  129   HG23  VAL  93          HG23      VAL  93   6.999  16.777  15.247
  130    H    ILE  94           H        ILE  94   8.606  13.657  11.497
  131    HA   ILE  94           HA       ILE  94   9.654  15.366   9.337
  132    HB   ILE  94           HB       ILE  94  11.428  13.707   8.780
  133   HG12  ILE  94          HG12      ILE  94  10.887  12.548  11.541
  134   HG13  ILE  94          HG13      ILE  94  10.504  11.770  10.008
  135   HG21  ILE  94          HG21      ILE  94  11.880  15.844   9.990
  136   HG22  ILE  94          HG22      ILE  94  11.872  14.945  11.522
  137   HG23  ILE  94          HG23      ILE  94  13.087  14.587  10.279
  138   HD11  ILE  94          HD11      ILE  94  12.885  11.660   9.427
  139   HD12  ILE  94          HD12      ILE  94  13.312  12.419  10.985
  140   HD13  ILE  94          HD13      ILE  94  12.537  10.837  10.956
  141    H    GLU  95           H        GLU  95   9.666  14.255   7.305
  142    HA   GLU  95           HA       GLU  95   7.886  11.890   6.963
  143    HB2  GLU  95           HB2      GLU  95   7.665  14.626   5.627
  144    HB3  GLU  95           HB3      GLU  95   6.965  13.165   4.922
  145    HG2  GLU  95           HG2      GLU  95   5.447  12.875   6.755
  146    HG3  GLU  95           HG3      GLU  95   6.250  14.127   7.715
  147    H    THR  96           H        THR  96   8.518  10.504   5.449
  148    HA   THR  96           HA       THR  96  10.286  11.269   3.210
  149    HB   THR  96           HB       THR  96  11.984  10.789   4.777
  150    HG1  THR  96           HG1      THR  96  12.937   9.030   3.806
  151   HG21  THR  96          HG21      THR  96  10.757   9.626   6.559
  152   HG22  THR  96          HG22      THR  96  10.521   8.211   5.497
  153   HG23  THR  96          HG23      THR  96  12.153   8.675   6.041
  154    H    LYS  97           H        LYS  97  10.425   9.578   1.571
  155    HA   LYS  97           HA       LYS  97   8.022   7.802   1.443
  156    HB2  LYS  97           HB2      LYS  97  10.166   8.540  -0.595
  157    HB3  LYS  97           HB3      LYS  97   8.850   7.391  -0.894
  158    HG2  LYS  97           HG2      LYS  97   7.175   9.137  -0.421
  159    HG3  LYS  97           HG3      LYS  97   8.467  10.318  -0.133
  160    HD2  LYS  97           HD2      LYS  97   9.278  10.009  -2.458
  161    HD3  LYS  97           HD3      LYS  97   7.974   8.842  -2.757
  162    HE2  LYS  97           HE2      LYS  97   6.278  10.598  -2.268
  163    HE3  LYS  97           HE3      LYS  97   7.572  11.754  -1.925
  164    HZ1  LYS  97           HZ1      LYS  97   8.301  11.538  -4.253
  165    HZ2  LYS  97           HZ2      LYS  97   7.107  10.464  -4.571
  166    HZ3  LYS  97           HZ3      LYS  97   6.743  12.008  -4.203
  167    H    GLY  98           H        GLY  98  11.047   7.496   2.774
  168    HA2  GLY  98           HA2      GLY  98  11.503   5.406   3.912
  169    HA3  GLY  98           HA3      GLY  98  11.010   4.504   2.479
  170    H    GLY  99           H        GLY  99  12.890   7.154   1.502
  171    HA2  GLY  99           HA2      GLY  99  15.191   5.538   0.772
  172    HA3  GLY  99           HA3      GLY  99  14.991   7.275   0.531
  173    H    ASN 100           H        ASN 100  17.417   6.704   1.113
  174    HA   ASN 100           HA       ASN 100  18.187   6.480   3.867
  175    HB2  ASN 100           HB2      ASN 100  19.635   5.851   1.979
  176    HB3  ASN 100           HB3      ASN 100  19.677   7.525   1.429
  177   HD21  ASN 100          HD22      ASN 100  22.009   7.511   1.620
  178   HD22  ASN 100          HD21      ASN 100  22.758   7.610   3.209
  179    H    HIS 101           H        HIS 101  16.802   7.973   4.935
  180    HA   HIS 101           HA       HIS 101  17.317  10.886   4.574
  181    HB2  HIS 101           HB2      HIS 101  15.013   9.921   4.455
  182    HB3  HIS 101           HB3      HIS 101  15.122   9.484   6.156
  183    HD1  HIS 101           HD1      HIS 101  14.780  11.548   7.878
  184    HD2  HIS 101           HD2      HIS 101  14.897  12.542   3.782
  185    HE1  HIS 101           HE1      HIS 101  14.270  14.078   7.738
  186    HE2  HIS 101           HE2      HIS 101  14.272  14.654   5.215
  187    H    LYS 102           H        LYS 102  19.227  11.222   5.575
  188    HA   LYS 102           HA       LYS 102  20.551  10.106   7.640
  189    HB2  LYS 102           HB2      LYS 102  21.061  12.038   5.985
  190    HB3  LYS 102           HB3      LYS 102  20.586  13.120   7.281
  191    HG2  LYS 102           HG2      LYS 102  22.753  10.966   7.538
  192    HG3  LYS 102           HG3      LYS 102  23.058  12.593   6.933
  193    HD2  LYS 102           HD2      LYS 102  22.159  13.528   9.086
  194    HD3  LYS 102           HD3      LYS 102  22.075  11.862   9.708
  195    HE2  LYS 102           HE2      LYS 102  24.427  11.568   9.615
  196    HE3  LYS 102           HE3      LYS 102  24.653  12.928   8.508
  197    HZ1  LYS 102           HZ1      LYS 102  24.192  14.466  10.262
  198    HZ2  LYS 102           HZ2      LYS 102  23.721  13.305  11.308
  199    HZ3  LYS 102           HZ3      LYS 102  25.302  13.426  10.858
  200    H    THR 103           H        THR 103  18.245  12.773   8.348
  201    HA   THR 103           HA       THR 103  18.543  12.743  11.157
  202    HB   THR 103           HB       THR 103  15.995  13.318   9.576
  203    HG1  THR 103           HG1      THR 103  16.850  15.459   9.546
  204   HG21  THR 103          HG21      THR 103  16.937  14.431  12.250
  205   HG22  THR 103          HG22      THR 103  15.494  14.950  11.343
  206   HG23  THR 103          HG23      THR 103  15.571  13.317  12.009
  207    H    LEU 104           H        LEU 104  16.533  10.578   9.177
  208    HA   LEU 104           HA       LEU 104  15.138   9.369  11.481
  209    HB2  LEU 104           HB2      LEU 104  14.191   9.468   9.099
  210    HB3  LEU 104           HB3      LEU 104  15.466   8.345   8.615
  211    HG   LEU 104           HG       LEU 104  14.525   6.751  10.420
  212   HD11  LEU 104          HD11      LEU 104  13.143   8.388  11.661
  213   HD12  LEU 104          HD12      LEU 104  12.162   8.659  10.199
  214   HD13  LEU 104          HD13      LEU 104  12.160   7.083  10.992
  215   HD21  LEU 104          HD21      LEU 104  12.708   7.451   8.088
  216   HD22  LEU 104          HD22      LEU 104  14.166   6.436   7.984
  217   HD23  LEU 104          HD23      LEU 104  12.781   5.905   8.956
  218    H    LYS 105           H        LYS 105  17.902   8.574   9.294
  219    HA   LYS 105           HA       LYS 105  18.610   6.101  10.420
  220    HB2  LYS 105           HB2      LYS 105  19.556   7.376   8.360
  221    HB3  LYS 105           HB3      LYS 105  20.679   8.123   9.539
  222    HG2  LYS 105           HG2      LYS 105  21.467   5.870  10.194
  223    HG3  LYS 105           HG3      LYS 105  20.332   5.127   9.049
  224    HD2  LYS 105           HD2      LYS 105  21.494   6.255   7.170
  225    HD3  LYS 105           HD3      LYS 105  22.630   7.005   8.317
  226    HE2  LYS 105           HE2      LYS 105  23.365   4.742   9.051
  227    HE3  LYS 105           HE3      LYS 105  22.235   4.000   7.913
  228    HZ1  LYS 105           HZ1      LYS 105  24.530   5.738   7.138
  229    HZ2  LYS 105           HZ2      LYS 105  24.485   4.117   6.986
  230    HZ3  LYS 105           HZ3      LYS 105  23.483   5.036   6.087
  231    H    GLU 106           H        GLU 106  19.696   9.354  11.440
  232    HA   GLU 106           HA       GLU 106  21.199   8.509  13.652
  233    HB2  GLU 106           HB2      GLU 106  19.676  11.042  12.999
  234    HB3  GLU 106           HB3      GLU 106  20.265  10.810  14.646
  235    HG2  GLU 106           HG2      GLU 106  22.539  10.338  13.760
  236    HG3  GLU 106           HG3      GLU 106  21.934  10.688  12.123
  237    H    TRP 107           H        TRP 107  17.684   9.147  13.521
  238    HA   TRP 107           HA       TRP 107  17.248   8.568  16.294
  239    HB2  TRP 107           HB2      TRP 107  15.308   8.378  13.959
  240    HB3  TRP 107           HB3      TRP 107  14.868   8.308  15.654
  241    HD1  TRP 107           HD1      TRP 107  17.356  10.922  15.632
  242    HE1  TRP 107           HE1      TRP 107  16.359  13.258  15.402
  243    HE3  TRP 107           HE3      TRP 107  12.629   9.652  14.074
  244    HZ2  TRP 107           HZ2      TRP 107  13.902  14.438  14.579
  245    HZ3  TRP 107           HZ3      TRP 107  10.951  11.438  13.644
  246    HH2  TRP 107           HH2      TRP 107  11.583  13.849  13.879
  247    H    LYS 108           H        LYS 108  17.185   6.421  13.436
  248    HA   LYS 108           HA       LYS 108  16.346   4.025  14.845
  249    HB2  LYS 108           HB2      LYS 108  18.025   4.341  12.312
  250    HB3  LYS 108           HB3      LYS 108  17.310   2.813  12.894
  251    HG2  LYS 108           HG2      LYS 108  15.035   3.735  12.626
  252    HG3  LYS 108           HG3      LYS 108  15.679   5.287  12.174
  253    HD2  LYS 108           HD2      LYS 108  15.351   4.590  10.063
  254    HD3  LYS 108           HD3      LYS 108  16.912   3.785  10.263
  255    HE2  LYS 108           HE2      LYS 108  15.704   1.705  10.954
  256    HE3  LYS 108           HE3      LYS 108  14.154   2.547  10.765
  257    HZ1  LYS 108           HZ1      LYS 108  14.720   1.220   8.778
  258    HZ2  LYS 108           HZ2      LYS 108  14.656   2.797   8.376
  259    HZ3  LYS 108           HZ3      LYS 108  16.102   2.045   8.548
  260    H    ALA 109           H        ALA 109  19.529   5.471  14.261
  261    HA   ALA 109           HA       ALA 109  21.058   3.366  15.511
  262    HB1  ALA 109           HB1      ALA 109  21.716   6.310  15.058
  263    HB2  ALA 109           HB2      ALA 109  22.881   5.017  15.415
  264    HB3  ALA 109           HB3      ALA 109  21.976   4.997  13.888
  265    H    LYS 110           H        LYS 110  19.612   6.360  16.763
  266    HA   LYS 110           HA       LYS 110  20.838   5.934  19.428
  267    HB2  LYS 110           HB2      LYS 110  19.409   8.297  18.165
  268    HB3  LYS 110           HB3      LYS 110  19.889   8.255  19.868
  269    HG2  LYS 110           HG2      LYS 110  22.222   7.773  19.245
  270    HG3  LYS 110           HG3      LYS 110  21.817   7.840  17.530
  271    HD2  LYS 110           HD2      LYS 110  21.340  10.204  19.388
  272    HD3  LYS 110           HD3      LYS 110  22.918   9.883  18.662
  273    HE2  LYS 110           HE2      LYS 110  21.901   9.946  16.384
  274    HE3  LYS 110           HE3      LYS 110  20.333  10.346  17.106
  275    HZ1  LYS 110           HZ1      LYS 110  21.270  12.428  17.914
  276    HZ2  LYS 110           HZ2      LYS 110  22.787  12.012  17.475
  277    HZ3  LYS 110           HZ3      LYS 110  21.687  12.320  16.320
  278    H    TRP 111           H        TRP 111  17.620   5.472  18.169
  279    HA   TRP 111           HA       TRP 111  16.775   4.669  20.941
  280    HB2  TRP 111           HB2      TRP 111  15.162   6.064  18.780
  281    HB3  TRP 111           HB3      TRP 111  14.459   5.309  20.199
  282    HD1  TRP 111           HD1      TRP 111  15.184   6.254  22.636
  283    HE1  TRP 111           HE1      TRP 111  15.899   8.584  23.431
  284    HE3  TRP 111           HE3      TRP 111  16.229   8.338  18.114
  285    HZ2  TRP 111           HZ2      TRP 111  16.876  11.035  22.246
  286    HZ3  TRP 111           HZ3      TRP 111  17.137  10.674  17.964
  287    HH2  TRP 111           HH2      TRP 111  17.444  12.020  20.023
  288    H    GLY 112           H        GLY 112  17.356   3.436  17.839
  289    HA2  GLY 112           HA2      GLY 112  17.401   1.095  17.524
  290    HA3  GLY 112           HA3      GLY 112  15.974   0.881  18.529
  291    HA   PRO 113           HA       PRO 113  15.006   1.932  13.881
  292    HB2  PRO 113           HB2      PRO 113  15.200  -0.537  12.569
  293    HB3  PRO 113           HB3      PRO 113  16.430   0.754  12.568
  294    HG2  PRO 113           HG2      PRO 113  16.328  -1.708  14.286
  295    HG3  PRO 113           HG3      PRO 113  17.738  -0.916  13.478
  296    HD2  PRO 113           HD2      PRO 113  17.219  -0.617  16.121
  297    HD3  PRO 113           HD3      PRO 113  17.902   0.704  15.127
  298    H    GLU 114           H        GLU 114  14.208  -1.036  15.742
  299    HA   GLU 114           HA       GLU 114  11.605  -1.410  14.624
  300    HB2  GLU 114           HB2      GLU 114  12.829  -2.253  17.277
  301    HB3  GLU 114           HB3      GLU 114  11.236  -2.787  16.710
  302    HG2  GLU 114           HG2      GLU 114  12.305  -3.772  14.682
  303    HG3  GLU 114           HG3      GLU 114  13.893  -3.319  15.306
  304    H    ALA 115           H        ALA 115  12.766   0.414  17.425
  305    HA   ALA 115           HA       ALA 115  10.180   1.267  18.408
  306    HB1  ALA 115           HB1      ALA 115  12.943   2.521  18.673
  307    HB2  ALA 115           HB2      ALA 115  11.523   2.960  19.634
  308    HB3  ALA 115           HB3      ALA 115  12.228   1.327  19.775
  309    H    VAL 116           H        VAL 116  12.607   2.840  16.256
  310    HA   VAL 116           HA       VAL 116  11.028   5.147  15.687
  311    HB   VAL 116           HB       VAL 116  13.256   3.824  14.106
  312   HG11  VAL 116          HG11      VAL 116  12.021   5.292  12.580
  313   HG12  VAL 116          HG12      VAL 116  12.010   6.594  13.795
  314   HG13  VAL 116          HG13      VAL 116  13.534   6.080  13.045
  315   HG21  VAL 116          HG21      VAL 116  13.883   4.670  16.415
  316   HG22  VAL 116          HG22      VAL 116  14.628   5.586  15.110
  317   HG23  VAL 116          HG23      VAL 116  13.233   6.244  15.978
  318    H    GLU 117           H        GLU 117  11.143   1.985  13.890
  319    HA   GLU 117           HA       GLU 117   9.201   2.890  11.938
  320    HB2  GLU 117           HB2      GLU 117  10.077   0.132  12.895
  321    HB3  GLU 117           HB3      GLU 117   8.776   0.339  11.727
  322    HG2  GLU 117           HG2      GLU 117  11.632   1.324  11.358
  323    HG3  GLU 117           HG3      GLU 117  10.921  -0.107  10.608
  324    H    SER 118           H        SER 118   8.878   1.685  15.237
  325    HA   SER 118           HA       SER 118   5.974   1.371  15.124
  326    HB2  SER 118           HB2      SER 118   7.651   1.852  17.591
  327    HB3  SER 118           HB3      SER 118   5.972   1.306  17.476
  328    HG   SER 118           HG       SER 118   8.286  -0.075  16.532
  329    H    TRP 119           H        TRP 119   8.113   4.171  15.447
  330    HA   TRP 119           HA       TRP 119   5.973   6.014  16.222
  331    HB2  TRP 119           HB2      TRP 119   8.597   6.717  14.884
  332    HB3  TRP 119           HB3      TRP 119   7.524   7.767  15.765
  333    HD1  TRP 119           HD1      TRP 119   7.471   5.356  18.221
  334    HE1  TRP 119           HE1      TRP 119   9.391   5.477  19.909
  335    HE3  TRP 119           HE3      TRP 119  10.733   8.332  15.565
  336    HZ2  TRP 119           HZ2      TRP 119  12.003   6.662  20.088
  337    HZ3  TRP 119           HZ3      TRP 119  12.862   9.043  16.605
  338    HH2  TRP 119           HH2      TRP 119  13.523   8.208  18.843
  339    H    ALA 120           H        ALA 120   6.749   4.432  13.242
  340    HA   ALA 120           HA       ALA 120   6.280   6.575  11.439
  341    HB1  ALA 120           HB1      ALA 120   7.469   4.395  10.927
  342    HB2  ALA 120           HB2      ALA 120   5.869   3.629  10.827
  343    HB3  ALA 120           HB3      ALA 120   6.297   4.934   9.706
  344    H    THR 121           H        THR 121   4.534   7.213  10.245
  345    HA   THR 121           HA       THR 121   1.935   5.757  10.340
  346    HB   THR 121           HB       THR 121   0.905   8.162  10.217
  347    HG1  THR 121           HG1      THR 121   3.241   8.664  11.758
  348   HG21  THR 121          HG21      THR 121   0.404   6.587  12.026
  349   HG22  THR 121          HG22      THR 121   1.884   7.083  12.886
  350   HG23  THR 121          HG23      THR 121   0.556   8.245  12.630
  351    H    LEU 122           H        LEU 122   1.392   5.197   8.453
  352    HA   LEU 122           HA       LEU 122   2.517   6.302   6.003
  353    HB2  LEU 122           HB2      LEU 122   0.397   4.268   6.743
  354    HB3  LEU 122           HB3      LEU 122   0.693   4.693   5.055
  355    HG   LEU 122           HG       LEU 122   2.908   3.688   6.894
  356   HD11  LEU 122          HD11      LEU 122   1.147   1.963   6.749
  357   HD12  LEU 122          HD12      LEU 122   1.144   2.094   4.976
  358   HD13  LEU 122          HD13      LEU 122   2.577   1.476   5.828
  359   HD21  LEU 122          HD21      LEU 122   3.635   4.852   4.790
  360   HD22  LEU 122          HD22      LEU 122   4.004   3.121   4.736
  361   HD23  LEU 122          HD23      LEU 122   2.608   3.757   3.846
  362    H    LEU 123           H        LEU 123   1.822   8.051   4.939
  363    HA   LEU 123           HA       LEU 123  -0.700   9.345   5.731
  364    HB2  LEU 123           HB2      LEU 123   1.419  10.276   3.749
  365    HB3  LEU 123           HB3      LEU 123   0.110  11.238   4.425
  366    HG   LEU 123           HG       LEU 123   2.585  10.217   5.875
  367   HD11  LEU 123          HD11      LEU 123   1.451  13.008   5.433
  368   HD12  LEU 123          HD12      LEU 123   2.982  12.595   6.230
  369   HD13  LEU 123          HD13      LEU 123   2.774  12.276   4.503
  370   HD21  LEU 123          HD21      LEU 123   0.079  11.545   7.022
  371   HD22  LEU 123          HD22      LEU 123   0.766   9.966   7.487
  372   HD23  LEU 123          HD23      LEU 123   1.630  11.450   7.876
  373    H    GLY 124           H        GLY 124  -1.301   7.021   4.602
  374    HA2  GLY 124           HA2      GLY 124  -3.298   7.478   2.738
  375    HA3  GLY 124           HA3      GLY 124  -1.881   7.109   1.746
  376    H    HIS 125           H        HIS 125  -3.836   5.463   1.347
  377    HA   HIS 125           HA       HIS 125  -2.967   2.868   2.422
  378    HB2  HIS 125           HB2      HIS 125  -5.302   2.191   2.983
  379    HB3  HIS 125           HB3      HIS 125  -4.589   3.370   4.070
  380    HD1  HIS 125           HD1      HIS 125  -6.351   4.287   0.771
  381    HD2  HIS 125           HD2      HIS 125  -6.778   4.527   4.960
  382    HE1  HIS 125           HE1      HIS 125  -8.450   5.773   1.212
  383    HE2  HIS 125           HE2      HIS 125  -8.683   5.916   3.781
  Start of MODEL   12
    1    H    ALA  79           H1       ALA  79   4.539   2.128  -1.240
    2    HA   ALA  79           HA       ALA  79   5.018   2.608  -3.558
    3    HB1  ALA  79           HB1      ALA  79   2.349   1.247  -4.124
    4    HB2  ALA  79           HB2      ALA  79   3.384   2.075  -5.304
    5    HB3  ALA  79           HB3      ALA  79   3.957   0.596  -4.517
    6    H    ARG  80           H        ARG  80   4.757   4.663  -4.033
    7    HA   ARG  80           HA       ARG  80   4.004   6.822  -4.088
    8    HB2  ARG  80           HB2      ARG  80   1.448   5.439  -4.827
    9    HB3  ARG  80           HB3      ARG  80   1.893   7.134  -5.118
   10    HG2  ARG  80           HG2      ARG  80   3.948   6.357  -6.340
   11    HG3  ARG  80           HG3      ARG  80   3.370   4.690  -6.180
   12    HD2  ARG  80           HD2      ARG  80   2.738   5.423  -8.328
   13    HD3  ARG  80           HD3      ARG  80   1.263   5.371  -7.331
   14    HE   ARG  80           HE       ARG  80   2.453   8.009  -7.315
   15   HH11  ARG  80          HH21      ARG  80   0.532   5.980  -9.432
   16   HH12  ARG  80          HH22      ARG  80  -0.177   7.348 -10.253
   17   HH21  ARG  80          HH11      ARG  80   1.513   9.707  -8.405
   18   HH22  ARG  80          HH12      ARG  80   0.380   9.396  -9.686
   19    H    LYS  81           H        LYS  81   4.047   5.927  -1.384
   20    HA   LYS  81           HA       LYS  81   2.190   7.917  -0.141
   21    HB2  LYS  81           HB2      LYS  81   2.591   5.015   0.696
   22    HB3  LYS  81           HB3      LYS  81   1.971   6.248   1.804
   23    HG2  LYS  81           HG2      LYS  81   0.095   6.724   0.244
   24    HG3  LYS  81           HG3      LYS  81   0.667   5.427  -0.824
   25    HD2  LYS  81           HD2      LYS  81   0.362   3.781   1.020
   26    HD3  LYS  81           HD3      LYS  81  -0.234   5.089   2.073
   27    HE2  LYS  81           HE2      LYS  81  -2.086   5.537   0.475
   28    HE3  LYS  81           HE3      LYS  81  -1.483   4.264  -0.593
   29    HZ1  LYS  81           HZ1      LYS  81  -2.500   3.829   2.174
   30    HZ2  LYS  81           HZ2      LYS  81  -3.296   3.454   0.804
   31    HZ3  LYS  81           HZ3      LYS  81  -1.934   2.647   1.188
   32    H    VAL  82           H        VAL  82   2.800   8.652   1.869
   33    HA   VAL  82           HA       VAL  82   5.765   8.831   2.337
   34    HB   VAL  82           HB       VAL  82   3.425  10.670   2.989
   35   HG11  VAL  82          HG11      VAL  82   4.955  10.963   4.829
   36   HG12  VAL  82          HG12      VAL  82   6.356  11.048   3.721
   37   HG13  VAL  82          HG13      VAL  82   5.132  12.332   3.738
   38   HG21  VAL  82          HG21      VAL  82   4.160  10.706   0.630
   39   HG22  VAL  82          HG22      VAL  82   4.532  12.230   1.443
   40   HG23  VAL  82          HG23      VAL  82   5.825  11.050   1.151
   41    H    LYS  83           H        LYS  83   6.622   8.280   4.278
   42    HA   LYS  83           HA       LYS  83   4.802   7.488   6.528
   43    HB2  LYS  83           HB2      LYS  83   7.674   6.728   5.880
   44    HB3  LYS  83           HB3      LYS  83   6.980   6.560   7.507
   45    HG2  LYS  83           HG2      LYS  83   5.182   5.136   6.653
   46    HG3  LYS  83           HG3      LYS  83   5.860   5.233   5.010
   47    HD2  LYS  83           HD2      LYS  83   7.861   4.068   5.673
   48    HD3  LYS  83           HD3      LYS  83   7.461   4.205   7.397
   49    HE2  LYS  83           HE2      LYS  83   5.500   2.765   7.130
   50    HE3  LYS  83           HE3      LYS  83   5.768   2.670   5.378
   51    HZ1  LYS  83           HZ1      LYS  83   7.882   1.521   5.813
   52    HZ2  LYS  83           HZ2      LYS  83   7.656   1.606   7.433
   53    HZ3  LYS  83           HZ3      LYS  83   6.659   0.702   6.508
   54    H    GLN  84           H        GLN  84   4.455   9.015   7.876
   55    HA   GLN  84           HA       GLN  84   6.351  11.224   8.471
   56    HB2  GLN  84           HB2      GLN  84   4.026  11.813   8.263
   57    HB3  GLN  84           HB3      GLN  84   3.520  10.465   9.270
   58    HG2  GLN  84           HG2      GLN  84   4.630  11.584  11.248
   59    HG3  GLN  84           HG3      GLN  84   5.006  12.959  10.202
   60   HE21  GLN  84          HE22      GLN  84   2.184  10.872  11.168
   61   HE22  GLN  84          HE21      GLN  84   1.062  12.231  11.277
   62    H    TYR  85           H        TYR  85   7.394  11.345  10.453
   63    HA   TYR  85           HA       TYR  85   7.048   9.136  12.443
   64    HB2  TYR  85           HB2      TYR  85   9.710  10.226  11.435
   65    HB3  TYR  85           HB3      TYR  85   9.517   9.183  12.819
   66    HD1  TYR  85           HD1      TYR  85   9.090   9.310   9.091
   67    HD2  TYR  85           HD2      TYR  85   9.576   6.851  12.596
   68    HE1  TYR  85           HE1      TYR  85   9.486   7.314   7.653
   69    HE2  TYR  85           HE2      TYR  85  10.008   4.873  11.176
   70    HH   TYR  85           HH       TYR  85  10.174   4.066   8.984
   71    H    LYS  86           H        LYS  86   7.400   9.799  14.580
   72    HA   LYS  86           HA       LYS  86   8.020  12.667  15.132
   73    HB2  LYS  86           HB2      LYS  86   5.569  12.316  15.241
   74    HB3  LYS  86           HB3      LYS  86   5.804  10.988  16.396
   75    HG2  LYS  86           HG2      LYS  86   6.678  12.514  18.077
   76    HG3  LYS  86           HG3      LYS  86   6.672  13.859  16.925
   77    HD2  LYS  86           HD2      LYS  86   4.195  13.701  16.759
   78    HD3  LYS  86           HD3      LYS  86   4.211  12.347  17.912
   79    HE2  LYS  86           HE2      LYS  86   5.245  13.833  19.629
   80    HE3  LYS  86           HE3      LYS  86   5.238  15.174  18.477
   81    HZ1  LYS  86           HZ1      LYS  86   3.316  15.272  19.967
   82    HZ2  LYS  86           HZ2      LYS  86   2.789  15.034  18.441
   83    HZ3  LYS  86           HZ3      LYS  86   2.801  13.792  19.507
   84    H    ASN  87           H        ASN  87   9.262  13.006  16.934
   85    HA   ASN  87           HA       ASN  87  10.403  10.545  18.242
   86    HB2  ASN  87           HB2      ASN  87  11.852  11.689  16.643
   87    HB3  ASN  87           HB3      ASN  87  11.766  13.175  17.584
   88   HD21  ASN  87          HD22      ASN  87  14.211  11.921  17.010
   89   HD22  ASN  87          HD21      ASN  87  14.841  11.234  18.508
   90    HA   PRO  88           HA       PRO  88   8.329  12.531  21.854
   91    HB2  PRO  88           HB2      PRO  88   9.283   9.827  22.828
   92    HB3  PRO  88           HB3      PRO  88   7.793  10.718  23.277
   93    HG2  PRO  88           HG2      PRO  88   7.685   8.735  21.442
   94    HG3  PRO  88           HG3      PRO  88   6.800  10.270  21.147
   95    HD2  PRO  88           HD2      PRO  88   9.416   9.352  19.967
   96    HD3  PRO  88           HD3      PRO  88   8.066  10.260  19.217
   97    H    HIS  89           H        HIS  89  11.631  11.237  21.528
   98    HA   HIS  89           HA       HIS  89  12.532  12.208  24.138
   99    HB2  HIS  89           HB2      HIS  89  14.168  11.250  21.750
  100    HB3  HIS  89           HB3      HIS  89  14.738  11.462  23.396
  101    HD1  HIS  89           HD1      HIS  89  13.664   9.718  25.279
  102    HD2  HIS  89           HD2      HIS  89  12.979   8.936  21.187
  103    HE1  HIS  89           HE1      HIS  89  12.848   7.284  25.141
  104    HE2  HIS  89           HE2      HIS  89  12.430   6.805  22.645
  105    H    THR  90           H        THR  90  12.249  13.699  20.996
  106    HA   THR  90           HA       THR  90  13.800  16.086  21.961
  107    HB   THR  90           HB       THR  90  14.529  16.446  19.699
  108    HG1  THR  90           HG1      THR  90  13.932  15.074  18.067
  109   HG21  THR  90          HG21      THR  90  15.859  14.775  21.037
  110   HG22  THR  90          HG22      THR  90  14.899  13.472  20.292
  111   HG23  THR  90          HG23      THR  90  15.940  14.504  19.284
  112    H    GLY  91           H        GLY  91  10.806  15.001  20.533
  113    HA2  GLY  91           HA2      GLY  91   8.803  16.239  20.465
  114    HA3  GLY  91           HA3      GLY  91   9.703  17.756  20.519
  115    H    GLU  92           H        GLU  92  11.365  16.015  18.253
  116    HA   GLU  92           HA       GLU  92  10.380  17.577  16.069
  117    HB2  GLU  92           HB2      GLU  92  12.463  15.445  16.477
  118    HB3  GLU  92           HB3      GLU  92  11.888  15.704  14.829
  119    HG2  GLU  92           HG2      GLU  92  12.397  17.897  14.736
  120    HG3  GLU  92           HG3      GLU  92  12.734  18.038  16.487
  121    H    VAL  93           H        VAL  93   9.508  17.050  14.120
  122    HA   VAL  93           HA       VAL  93   8.367  14.355  13.630
  123    HB   VAL  93           HB       VAL  93   7.172  17.039  12.894
  124   HG11  VAL  93          HG11      VAL  93   6.547  15.240  11.290
  125   HG12  VAL  93          HG12      VAL  93   6.025  14.213  12.644
  126   HG13  VAL  93          HG13      VAL  93   5.148  15.713  12.260
  127   HG21  VAL  93          HG21      VAL  93   5.373  16.553  14.518
  128   HG22  VAL  93          HG22      VAL  93   6.283  15.127  15.063
  129   HG23  VAL  93          HG23      VAL  93   6.962  16.769  15.268
  130    H    ILE  94           H        ILE  94   8.662  13.628  11.560
  131    HA   ILE  94           HA       ILE  94   9.740  15.367   9.436
  132    HB   ILE  94           HB       ILE  94  11.479  13.704   8.823
  133   HG12  ILE  94          HG12      ILE  94  10.861  12.406  11.499
  134   HG13  ILE  94          HG13      ILE  94  10.511  11.725   9.911
  135   HG21  ILE  94          HG21      ILE  94  13.151  14.431  10.387
  136   HG22  ILE  94          HG22      ILE  94  12.010  15.748  10.107
  137   HG23  ILE  94          HG23      ILE  94  11.927  14.814  11.614
  138   HD11  ILE  94          HD11      ILE  94  12.486  10.677  10.820
  139   HD12  ILE  94          HD12      ILE  94  12.921  11.630   9.389
  140   HD13  ILE  94          HD13      ILE  94  13.291  12.235  11.037
  141    H    GLU  95           H        GLU  95   9.762  14.273   7.380
  142    HA   GLU  95           HA       GLU  95   7.863  12.013   6.975
  143    HB2  GLU  95           HB2      GLU  95   7.750  14.796   5.738
  144    HB3  GLU  95           HB3      GLU  95   7.002  13.393   4.975
  145    HG2  GLU  95           HG2      GLU  95   5.480  13.077   6.802
  146    HG3  GLU  95           HG3      GLU  95   6.318  14.269   7.799
  147    H    THR  96           H        THR  96   8.453  10.627   5.437
  148    HA   THR  96           HA       THR  96  10.254  11.374   3.217
  149    HB   THR  96           HB       THR  96  11.928  10.791   4.797
  150    HG1  THR  96           HG1      THR  96  12.810   9.009   3.803
  151   HG21  THR  96          HG21      THR  96  10.649   9.644   6.549
  152   HG22  THR  96          HG22      THR  96  10.335   8.274   5.454
  153   HG23  THR  96          HG23      THR  96  11.989   8.627   6.006
  154    H    LYS  97           H        LYS  97  10.356   9.694   1.553
  155    HA   LYS  97           HA       LYS  97   7.890   8.002   1.400
  156    HB2  LYS  97           HB2      LYS  97  10.019   8.688  -0.667
  157    HB3  LYS  97           HB3      LYS  97   8.637   7.617  -0.950
  158    HG2  LYS  97           HG2      LYS  97   7.099   9.491  -0.274
  159    HG3  LYS  97           HG3      LYS  97   8.480  10.580  -0.227
  160    HD2  LYS  97           HD2      LYS  97   7.486   9.006  -2.646
  161    HD3  LYS  97           HD3      LYS  97   7.188  10.714  -2.363
  162    HE2  LYS  97           HE2      LYS  97   9.965   9.484  -2.763
  163    HE3  LYS  97           HE3      LYS  97   8.988  10.188  -4.049
  164    HZ1  LYS  97           HZ1      LYS  97  10.560  11.813  -3.211
  165    HZ2  LYS  97           HZ2      LYS  97   9.049  12.330  -2.881
  166    HZ3  LYS  97           HZ3      LYS  97   9.990  11.711  -1.686
  167    H    GLY  98           H        GLY  98  10.903   7.587   2.707
  168    HA2  GLY  98           HA2      GLY  98  11.336   5.463   3.773
  169    HA3  GLY  98           HA3      GLY  98  10.808   4.608   2.322
  170    H    GLY  99           H        GLY  99  12.744   7.256   1.416
  171    HA2  GLY  99           HA2      GLY  99  15.000   5.598   0.615
  172    HA3  GLY  99           HA3      GLY  99  14.820   7.334   0.388
  173    H    ASN 100           H        ASN 100  17.249   6.717   0.923
  174    HA   ASN 100           HA       ASN 100  18.053   6.472   3.678
  175    HB2  ASN 100           HB2      ASN 100  19.461   5.798   1.760
  176    HB3  ASN 100           HB3      ASN 100  19.552   7.479   1.222
  177   HD21  ASN 100          HD22      ASN 100  21.893   7.342   1.396
  178   HD22  ASN 100          HD21      ASN 100  22.651   7.432   2.980
  179    H    HIS 101           H        HIS 101  16.736   7.986   4.747
  180    HA   HIS 101           HA       HIS 101  17.327  10.896   4.405
  181    HB2  HIS 101           HB2      HIS 101  14.993   9.992   4.248
  182    HB3  HIS 101           HB3      HIS 101  15.079   9.493   5.930
  183    HD1  HIS 101           HD1      HIS 101  14.832  11.515   7.734
  184    HD2  HIS 101           HD2      HIS 101  14.762  12.595   3.666
  185    HE1  HIS 101           HE1      HIS 101  14.256  14.038   7.667
  186    HE2  HIS 101           HE2      HIS 101  14.148  14.663   5.164
  187    H    LYS 102           H        LYS 102  19.260  11.155   5.456
  188    HA   LYS 102           HA       LYS 102  20.432   9.861   7.502
  189    HB2  LYS 102           HB2      LYS 102  21.461  11.615   6.120
  190    HB3  LYS 102           HB3      LYS 102  20.544  12.854   6.963
  191    HG2  LYS 102           HG2      LYS 102  22.820  12.866   7.720
  192    HG3  LYS 102           HG3      LYS 102  21.787  12.380   9.058
  193    HD2  LYS 102           HD2      LYS 102  22.456  10.014   8.754
  194    HD3  LYS 102           HD3      LYS 102  23.406  10.464   7.316
  195    HE2  LYS 102           HE2      LYS 102  24.781  11.998   8.746
  196    HE3  LYS 102           HE3      LYS 102  23.876  11.469  10.166
  197    HZ1  LYS 102           HZ1      LYS 102  25.968  10.242   9.935
  198    HZ2  LYS 102           HZ2      LYS 102  24.729   9.194   9.759
  199    HZ3  LYS 102           HZ3      LYS 102  25.566   9.713   8.446
  200    H    THR 103           H        THR 103  18.282  12.645   8.242
  201    HA   THR 103           HA       THR 103  18.530  12.599  11.036
  202    HB   THR 103           HB       THR 103  15.981  13.196   9.479
  203    HG1  THR 103           HG1      THR 103  16.873  15.321   9.393
  204   HG21  THR 103          HG21      THR 103  17.015  14.310  12.121
  205   HG22  THR 103          HG22      THR 103  15.572  14.876  11.240
  206   HG23  THR 103          HG23      THR 103  15.605  13.246  11.914
  207    H    LEU 104           H        LEU 104  16.519  10.439   9.041
  208    HA   LEU 104           HA       LEU 104  15.068   9.279  11.330
  209    HB2  LEU 104           HB2      LEU 104  14.108   9.345   9.015
  210    HB3  LEU 104           HB3      LEU 104  15.440   8.334   8.440
  211    HG   LEU 104           HG       LEU 104  14.661   6.506   9.976
  212   HD11  LEU 104          HD11      LEU 104  12.249   8.327  10.379
  213   HD12  LEU 104          HD12      LEU 104  12.385   6.637  10.890
  214   HD13  LEU 104          HD13      LEU 104  13.412   7.859  11.644
  215   HD21  LEU 104          HD21      LEU 104  12.526   7.519   8.062
  216   HD22  LEU 104          HD22      LEU 104  13.980   6.606   7.583
  217   HD23  LEU 104          HD23      LEU 104  12.757   5.851   8.615
  218    H    LYS 105           H        LYS 105  17.848   8.379   9.205
  219    HA   LYS 105           HA       LYS 105  18.493   5.929  10.441
  220    HB2  LYS 105           HB2      LYS 105  19.449   7.124   8.304
  221    HB3  LYS 105           HB3      LYS 105  20.627   7.827   9.449
  222    HG2  LYS 105           HG2      LYS 105  21.307   5.549  10.140
  223    HG3  LYS 105           HG3      LYS 105  20.081   4.852   9.057
  224    HD2  LYS 105           HD2      LYS 105  21.244   5.856   7.099
  225    HD3  LYS 105           HD3      LYS 105  22.486   6.522   8.187
  226    HE2  LYS 105           HE2      LYS 105  23.065   4.218   8.934
  227    HE3  LYS 105           HE3      LYS 105  21.808   3.553   7.888
  228    HZ1  LYS 105           HZ1      LYS 105  23.991   3.431   6.829
  229    HZ2  LYS 105           HZ2      LYS 105  23.036   4.425   5.959
  230    HZ3  LYS 105           HZ3      LYS 105  24.209   5.043   6.925
  231    H    GLU 106           H        GLU 106  19.633   9.206  11.292
  232    HA   GLU 106           HA       GLU 106  21.160   8.458  13.530
  233    HB2  GLU 106           HB2      GLU 106  19.652  10.977  12.779
  234    HB3  GLU 106           HB3      GLU 106  20.313  10.822  14.408
  235    HG2  GLU 106           HG2      GLU 106  22.536  10.328  13.490
  236    HG3  GLU 106           HG3      GLU 106  21.902  10.535  11.841
  237    H    TRP 107           H        TRP 107  17.649   9.174  13.404
  238    HA   TRP 107           HA       TRP 107  17.204   8.710  16.187
  239    HB2  TRP 107           HB2      TRP 107  15.270   8.392  13.861
  240    HB3  TRP 107           HB3      TRP 107  14.826   8.397  15.552
  241    HD1  TRP 107           HD1      TRP 107  17.332  11.036  15.279
  242    HE1  TRP 107           HE1      TRP 107  16.289  13.346  15.024
  243    HE3  TRP 107           HE3      TRP 107  12.528   9.647  14.087
  244    HZ2  TRP 107           HZ2      TRP 107  13.767  14.461  14.355
  245    HZ3  TRP 107           HZ3      TRP 107  10.806  11.402  13.707
  246    HH2  TRP 107           HH2      TRP 107  11.415  13.828  13.848
  247    H    LYS 108           H        LYS 108  17.163   6.403  13.453
  248    HA   LYS 108           HA       LYS 108  16.338   4.078  14.985
  249    HB2  LYS 108           HB2      LYS 108  18.038   4.258  12.448
  250    HB3  LYS 108           HB3      LYS 108  17.334   2.761  13.117
  251    HG2  LYS 108           HG2      LYS 108  15.054   3.742  12.838
  252    HG3  LYS 108           HG3      LYS 108  15.758   5.175  12.131
  253    HD2  LYS 108           HD2      LYS 108  15.510   4.202  10.126
  254    HD3  LYS 108           HD3      LYS 108  16.901   3.195  10.542
  255    HE2  LYS 108           HE2      LYS 108  15.292   1.578  11.641
  256    HE3  LYS 108           HE3      LYS 108  13.947   2.569  11.046
  257    HZ1  LYS 108           HZ1      LYS 108  15.926   1.126   9.326
  258    HZ2  LYS 108           HZ2      LYS 108  14.354   0.708   9.573
  259    HZ3  LYS 108           HZ3      LYS 108  14.723   2.083   8.752
  260    H    ALA 109           H        ALA 109  19.533   5.487  14.329
  261    HA   ALA 109           HA       ALA 109  21.019   3.428  15.718
  262    HB1  ALA 109           HB1      ALA 109  21.738   6.316  15.040
  263    HB2  ALA 109           HB2      ALA 109  22.880   5.041  15.519
  264    HB3  ALA 109           HB3      ALA 109  21.983   4.897  13.994
  265    H    LYS 110           H        LYS 110  19.672   6.561  16.742
  266    HA   LYS 110           HA       LYS 110  20.890   6.489  19.399
  267    HB2  LYS 110           HB2      LYS 110  18.839   8.298  18.082
  268    HB3  LYS 110           HB3      LYS 110  19.427   8.551  19.735
  269    HG2  LYS 110           HG2      LYS 110  21.701   8.887  18.983
  270    HG3  LYS 110           HG3      LYS 110  21.294   8.400  17.335
  271    HD2  LYS 110           HD2      LYS 110  19.662  10.378  17.264
  272    HD3  LYS 110           HD3      LYS 110  20.392  10.917  18.791
  273    HE2  LYS 110           HE2      LYS 110  22.647  10.873  17.638
  274    HE3  LYS 110           HE3      LYS 110  21.833  10.450  16.127
  275    HZ1  LYS 110           HZ1      LYS 110  22.033  12.747  15.997
  276    HZ2  LYS 110           HZ2      LYS 110  20.511  12.626  16.543
  277    HZ3  LYS 110           HZ3      LYS 110  21.702  13.020  17.595
  278    H    TRP 111           H        TRP 111  17.647   5.709  18.240
  279    HA   TRP 111           HA       TRP 111  16.864   4.909  21.018
  280    HB2  TRP 111           HB2      TRP 111  15.233   6.336  18.890
  281    HB3  TRP 111           HB3      TRP 111  14.592   5.735  20.415
  282    HD1  TRP 111           HD1      TRP 111  15.935   6.670  22.697
  283    HE1  TRP 111           HE1      TRP 111  16.852   9.002  23.232
  284    HE3  TRP 111           HE3      TRP 111  15.941   8.639  17.981
  285    HZ2  TRP 111           HZ2      TRP 111  17.661  11.363  21.780
  286    HZ3  TRP 111           HZ3      TRP 111  16.883  10.924  17.579
  287    HH2  TRP 111           HH2      TRP 111  17.730  12.283  19.469
  288    H    GLY 112           H        GLY 112  17.386   3.520  18.041
  289    HA2  GLY 112           HA2      GLY 112  17.323   1.163  17.904
  290    HA3  GLY 112           HA3      GLY 112  15.855   1.094  18.858
  291    HA   PRO 113           HA       PRO 113  15.076   1.845  14.115
  292    HB2  PRO 113           HB2      PRO 113  15.402  -0.690  12.937
  293    HB3  PRO 113           HB3      PRO 113  16.585   0.646  12.892
  294    HG2  PRO 113           HG2      PRO 113  16.509  -1.713  14.750
  295    HG3  PRO 113           HG3      PRO 113  17.922  -0.915  13.937
  296    HD2  PRO 113           HD2      PRO 113  17.318  -0.497  16.537
  297    HD3  PRO 113           HD3      PRO 113  17.956   0.808  15.485
  298    H    GLU 114           H        GLU 114  14.262  -1.084  16.035
  299    HA   GLU 114           HA       GLU 114  11.727  -1.509  14.788
  300    HB2  GLU 114           HB2      GLU 114  12.822  -2.304  17.516
  301    HB3  GLU 114           HB3      GLU 114  11.261  -2.855  16.882
  302    HG2  GLU 114           HG2      GLU 114  12.415  -3.864  14.921
  303    HG3  GLU 114           HG3      GLU 114  13.973  -3.382  15.596
  304    H    ALA 115           H        ALA 115  12.719   0.368  17.622
  305    HA   ALA 115           HA       ALA 115  10.075   1.198  18.462
  306    HB1  ALA 115           HB1      ALA 115  12.813   2.493  18.849
  307    HB2  ALA 115           HB2      ALA 115  11.334   2.944  19.711
  308    HB3  ALA 115           HB3      ALA 115  12.039   1.325  19.938
  309    H    VAL 116           H        VAL 116  12.590   2.802  16.436
  310    HA   VAL 116           HA       VAL 116  11.009   5.075  15.771
  311    HB   VAL 116           HB       VAL 116  13.369   3.795  14.373
  312   HG11  VAL 116          HG11      VAL 116  12.130   6.553  13.931
  313   HG12  VAL 116          HG12      VAL 116  13.695   6.012  13.283
  314   HG13  VAL 116          HG13      VAL 116  12.200   5.235  12.741
  315   HG21  VAL 116          HG21      VAL 116  13.804   4.663  16.704
  316   HG22  VAL 116          HG22      VAL 116  14.641   5.572  15.462
  317   HG23  VAL 116          HG23      VAL 116  13.185   6.230  16.205
  318    H    GLU 117           H        GLU 117  11.306   1.914  14.012
  319    HA   GLU 117           HA       GLU 117   9.535   2.764  11.874
  320    HB2  GLU 117           HB2      GLU 117  10.421   0.050  12.910
  321    HB3  GLU 117           HB3      GLU 117   9.248   0.223  11.595
  322    HG2  GLU 117           HG2      GLU 117  10.817   1.510  10.254
  323    HG3  GLU 117           HG3      GLU 117  12.004   1.520  11.545
  324    H    SER 118           H        SER 118   8.942   1.667  15.157
  325    HA   SER 118           HA       SER 118   6.052   1.297  14.774
  326    HB2  SER 118           HB2      SER 118   7.510   1.731  17.385
  327    HB3  SER 118           HB3      SER 118   5.858   1.169  17.121
  328    HG   SER 118           HG       SER 118   8.267  -0.167  16.382
  329    H    TRP 119           H        TRP 119   8.160   4.098  15.315
  330    HA   TRP 119           HA       TRP 119   6.004   5.924  16.050
  331    HB2  TRP 119           HB2      TRP 119   8.647   6.635  14.747
  332    HB3  TRP 119           HB3      TRP 119   7.560   7.695  15.598
  333    HD1  TRP 119           HD1      TRP 119   7.510   5.227  18.038
  334    HE1  TRP 119           HE1      TRP 119   9.374   5.405  19.777
  335    HE3  TRP 119           HE3      TRP 119  10.716   8.356  15.497
  336    HZ2  TRP 119           HZ2      TRP 119  11.938   6.670  20.024
  337    HZ3  TRP 119           HZ3      TRP 119  12.802   9.125  16.582
  338    HH2  TRP 119           HH2      TRP 119  13.442   8.288  18.826
  339    H    ALA 120           H        ALA 120   6.902   4.440  13.045
  340    HA   ALA 120           HA       ALA 120   6.355   6.535  11.244
  341    HB1  ALA 120           HB1      ALA 120   5.937   3.573  10.708
  342    HB2  ALA 120           HB2      ALA 120   6.271   4.850   9.516
  343    HB3  ALA 120           HB3      ALA 120   7.516   4.378  10.693
  344    H    THR 121           H        THR 121   4.566   7.266  10.172
  345    HA   THR 121           HA       THR 121   1.952   5.827  10.294
  346    HB   THR 121           HB       THR 121   0.948   8.238  10.308
  347    HG1  THR 121           HG1      THR 121   3.382   8.682  11.714
  348   HG21  THR 121          HG21      THR 121   2.065   7.082  12.890
  349   HG22  THR 121          HG22      THR 121   0.737   8.259  12.744
  350   HG23  THR 121          HG23      THR 121   0.536   6.620  12.102
  351    H    LEU 122           H        LEU 122   1.227   5.412   8.418
  352    HA   LEU 122           HA       LEU 122   2.320   6.573   5.974
  353    HB2  LEU 122           HB2      LEU 122   0.145   4.575   6.688
  354    HB3  LEU 122           HB3      LEU 122   0.423   5.066   5.012
  355    HG   LEU 122           HG       LEU 122   2.627   3.898   6.766
  356   HD11  LEU 122          HD11      LEU 122   0.793   2.453   4.797
  357   HD12  LEU 122          HD12      LEU 122   2.211   1.751   5.610
  358   HD13  LEU 122          HD13      LEU 122   0.803   2.244   6.561
  359   HD21  LEU 122          HD21      LEU 122   2.298   4.151   3.729
  360   HD22  LEU 122          HD22      LEU 122   3.388   5.133   4.724
  361   HD23  LEU 122          HD23      LEU 122   3.668   3.393   4.561
  362    H    LEU 123           H        LEU 123   1.748   8.499   5.227
  363    HA   LEU 123           HA       LEU 123  -0.752   9.809   6.010
  364    HB2  LEU 123           HB2      LEU 123   1.324  10.649   3.941
  365    HB3  LEU 123           HB3      LEU 123   0.047  11.650   4.622
  366    HG   LEU 123           HG       LEU 123   2.541  10.626   6.040
  367   HD11  LEU 123          HD11      LEU 123   1.452  13.425   5.526
  368   HD12  LEU 123          HD12      LEU 123   2.986  13.005   6.317
  369   HD13  LEU 123          HD13      LEU 123   2.748  12.632   4.606
  370   HD21  LEU 123          HD21      LEU 123   0.099  12.045   7.208
  371   HD22  LEU 123          HD22      LEU 123   0.759  10.468   7.706
  372   HD23  LEU 123          HD23      LEU 123   1.668  11.941   8.027
  373    H    GLY 124           H        GLY 124  -2.281  10.701   4.430
  374    HA2  GLY 124           HA2      GLY 124  -2.504   9.854   1.719
  375    HA3  GLY 124           HA3      GLY 124  -3.468   8.775   2.728
  376    H    HIS 125           H        HIS 125  -4.927   9.977   0.985
  377    HA   HIS 125           HA       HIS 125  -6.574  11.940   2.445
  378    HB2  HIS 125           HB2      HIS 125  -5.099  13.359   1.303
  379    HB3  HIS 125           HB3      HIS 125  -5.333  12.525  -0.242
  380    HD1  HIS 125           HD1      HIS 125  -7.732  12.997  -1.483
  381    HD2  HIS 125           HD2      HIS 125  -6.934  15.142   2.068
  382    HE1  HIS 125           HE1      HIS 125  -9.455  14.917  -1.388
  383    HE2  HIS 125           HE2      HIS 125  -8.968  16.217   0.786
  Start of MODEL   13
    1    H    ALA  79           H1       ALA  79   1.525   1.185  -0.675
    2    HA   ALA  79           HA       ALA  79   3.640   0.450  -1.585
    3    HB1  ALA  79           HB1      ALA  79   2.736  -0.732  -3.548
    4    HB2  ALA  79           HB2      ALA  79   2.301   0.816  -4.305
    5    HB3  ALA  79           HB3      ALA  79   4.006   0.410  -4.008
    6    H    ARG  80           H        ARG  80   5.122   1.939  -1.392
    7    HA   ARG  80           HA       ARG  80   6.290   3.867  -1.329
    8    HB2  ARG  80           HB2      ARG  80   5.070   4.264  -4.057
    9    HB3  ARG  80           HB3      ARG  80   6.535   5.025  -3.399
   10    HG2  ARG  80           HG2      ARG  80   7.527   2.792  -3.018
   11    HG3  ARG  80           HG3      ARG  80   6.134   2.039  -3.818
   12    HD2  ARG  80           HD2      ARG  80   6.628   3.318  -5.882
   13    HD3  ARG  80           HD3      ARG  80   8.044   4.045  -5.085
   14    HE   ARG  80           HE       ARG  80   8.298   1.230  -4.876
   15   HH11  ARG  80          HH11      ARG  80   8.396   3.610  -7.447
   16   HH12  ARG  80          HH12      ARG  80   9.450   2.639  -8.438
   17   HH21  ARG  80          HH21      ARG  80   9.632   0.031  -6.194
   18   HH22  ARG  80          HH22      ARG  80  10.125   0.657  -7.739
   19    H    LYS  81           H        LYS  81   3.586   4.210  -0.119
   20    HA   LYS  81           HA       LYS  81   3.068   7.126  -0.285
   21    HB2  LYS  81           HB2      LYS  81   2.010   4.841   1.391
   22    HB3  LYS  81           HB3      LYS  81   1.879   6.483   2.009
   23    HG2  LYS  81           HG2      LYS  81  -0.161   5.758   0.836
   24    HG3  LYS  81           HG3      LYS  81   0.554   7.230   0.193
   25    HD2  LYS  81           HD2      LYS  81   1.492   5.989  -1.722
   26    HD3  LYS  81           HD3      LYS  81   0.816   4.476  -1.069
   27    HE2  LYS  81           HE2      LYS  81  -1.460   5.375  -1.283
   28    HE3  LYS  81           HE3      LYS  81  -0.822   6.946  -1.797
   29    HZ1  LYS  81           HZ1      LYS  81  -1.525   5.629  -3.712
   30    HZ2  LYS  81           HZ2      LYS  81   0.088   5.854  -3.791
   31    HZ3  LYS  81           HZ3      LYS  81  -0.521   4.407  -3.329
   32    H    VAL  82           H        VAL  82   3.387   8.590   1.347
   33    HA   VAL  82           HA       VAL  82   6.075   8.624   2.436
   34    HB   VAL  82           HB       VAL  82   3.638  10.388   2.875
   35   HG11  VAL  82          HG11      VAL  82   6.487  10.855   3.839
   36   HG12  VAL  82          HG12      VAL  82   5.230  12.104   3.744
   37   HG13  VAL  82          HG13      VAL  82   5.007  10.741   4.835
   38   HG21  VAL  82          HG21      VAL  82   4.661  10.380   0.571
   39   HG22  VAL  82          HG22      VAL  82   4.821  11.950   1.383
   40   HG23  VAL  82          HG23      VAL  82   6.215  10.852   1.297
   41    H    LYS  83           H        LYS  83   6.836   8.092   4.380
   42    HA   LYS  83           HA       LYS  83   4.968   7.307   6.594
   43    HB2  LYS  83           HB2      LYS  83   7.891   6.642   6.057
   44    HB3  LYS  83           HB3      LYS  83   7.148   6.497   7.662
   45    HG2  LYS  83           HG2      LYS  83   5.446   4.962   6.788
   46    HG3  LYS  83           HG3      LYS  83   6.204   5.022   5.180
   47    HD2  LYS  83           HD2      LYS  83   8.243   4.019   6.027
   48    HD3  LYS  83           HD3      LYS  83   7.691   4.168   7.706
   49    HE2  LYS  83           HE2      LYS  83   5.893   2.579   7.354
   50    HE3  LYS  83           HE3      LYS  83   6.256   2.479   5.619
   51    HZ1  LYS  83           HZ1      LYS  83   8.405   1.485   6.162
   52    HZ2  LYS  83           HZ2      LYS  83   8.150   1.607   7.777
   53    HZ3  LYS  83           HZ3      LYS  83   7.228   0.601   6.865
   54    H    GLN  84           H        GLN  84   4.532   8.867   7.886
   55    HA   GLN  84           HA       GLN  84   6.348  11.150   8.467
   56    HB2  GLN  84           HB2      GLN  84   4.004  11.669   8.151
   57    HB3  GLN  84           HB3      GLN  84   3.508  10.345   9.191
   58    HG2  GLN  84           HG2      GLN  84   4.506  11.558  11.160
   59    HG3  GLN  84           HG3      GLN  84   4.902  12.909  10.078
   60   HE21  GLN  84          HE22      GLN  84   2.095  10.792  11.014
   61   HE22  GLN  84          HE21      GLN  84   0.933  12.120  11.022
   62    H    TYR  85           H        TYR  85   7.318  11.359  10.489
   63    HA   TYR  85           HA       TYR  85   6.954   9.193  12.520
   64    HB2  TYR  85           HB2      TYR  85   9.636  10.274  11.570
   65    HB3  TYR  85           HB3      TYR  85   9.399   9.187  12.913
   66    HD1  TYR  85           HD2      TYR  85   9.160   9.472   9.187
   67    HD2  TYR  85           HD1      TYR  85   9.347   6.835  12.596
   68    HE1  TYR  85           HE2      TYR  85   9.657   7.547   7.690
   69    HE2  TYR  85           HE1      TYR  85   9.878   4.921  11.108
   70    HH   TYR  85           HH       TYR  85  10.324   4.262   8.947
   71    H    LYS  86           H        LYS  86   7.427   9.875  14.647
   72    HA   LYS  86           HA       LYS  86   8.027  12.755  15.137
   73    HB2  LYS  86           HB2      LYS  86   5.585  12.436  15.288
   74    HB3  LYS  86           HB3      LYS  86   5.820  11.113  16.448
   75    HG2  LYS  86           HG2      LYS  86   6.730  12.668  18.103
   76    HG3  LYS  86           HG3      LYS  86   6.680  13.997  16.937
   77    HD2  LYS  86           HD2      LYS  86   4.203  13.791  16.817
   78    HD3  LYS  86           HD3      LYS  86   4.267  12.468  18.005
   79    HE2  LYS  86           HE2      LYS  86   5.316  14.013  19.658
   80    HE3  LYS  86           HE3      LYS  86   5.250  15.325  18.473
   81    HZ1  LYS  86           HZ1      LYS  86   2.864  13.918  19.577
   82    HZ2  LYS  86           HZ2      LYS  86   3.357  15.413  20.008
   83    HZ3  LYS  86           HZ3      LYS  86   2.815  15.144  18.495
   84    H    ASN  87           H        ASN  87   9.289  13.131  16.934
   85    HA   ASN  87           HA       ASN  87  10.366  10.707  18.356
   86    HB2  ASN  87           HB2      ASN  87  11.886  11.661  16.690
   87    HB3  ASN  87           HB3      ASN  87  11.887  13.199  17.556
   88   HD21  ASN  87          HD22      ASN  87  14.293  12.128  17.197
   89   HD22  ASN  87          HD21      ASN  87  14.865  11.329  18.656
   90    HA   PRO  88           HA       PRO  88   8.325  13.011  21.783
   91    HB2  PRO  88           HB2      PRO  88   9.204  10.372  22.981
   92    HB3  PRO  88           HB3      PRO  88   7.728  11.327  23.335
   93    HG2  PRO  88           HG2      PRO  88   7.604   9.217  21.646
   94    HG3  PRO  88           HG3      PRO  88   6.760  10.751  21.224
   95    HD2  PRO  88           HD2      PRO  88   9.377   9.682  20.182
   96    HD3  PRO  88           HD3      PRO  88   8.065  10.549  19.321
   97    H    HIS  89           H        HIS  89  11.597  11.651  21.645
   98    HA   HIS  89           HA       HIS  89  12.576  12.682  24.145
   99    HB2  HIS  89           HB2      HIS  89  14.150  12.096  21.598
  100    HB3  HIS  89           HB3      HIS  89  14.799  12.238  23.225
  101    HD1  HIS  89           HD1      HIS  89  13.146   9.737  20.950
  102    HD2  HIS  89           HD2      HIS  89  14.026  10.272  25.052
  103    HE1  HIS  89           HE1      HIS  89  12.821   7.422  22.096
  104    HE2  HIS  89           HE2      HIS  89  13.362   7.773  24.584
  105    H    THR  90           H        THR  90  12.205  14.237  20.998
  106    HA   THR  90           HA       THR  90  13.309  16.796  22.111
  107    HB   THR  90           HB       THR  90  14.096  17.308  19.869
  108    HG1  THR  90           HG1      THR  90  13.868  15.899  18.231
  109   HG21  THR  90          HG21      THR  90  15.585  15.886  21.342
  110   HG22  THR  90          HG22      THR  90  14.925  14.444  20.524
  111   HG23  THR  90          HG23      THR  90  15.850  15.649  19.600
  112    H    GLY  91           H        GLY  91  10.561  15.311  20.593
  113    HA2  GLY  91           HA2      GLY  91   8.429  16.256  20.296
  114    HA3  GLY  91           HA3      GLY  91   9.101  17.886  20.422
  115    H    GLU  92           H        GLU  92  11.119  16.207  18.325
  116    HA   GLU  92           HA       GLU  92  10.326  17.650  16.011
  117    HB2  GLU  92           HB2      GLU  92  12.276  15.460  16.669
  118    HB3  GLU  92           HB3      GLU  92  11.847  15.651  14.977
  119    HG2  GLU  92           HG2      GLU  92  12.516  17.777  14.768
  120    HG3  GLU  92           HG3      GLU  92  12.593  18.096  16.523
  121    H    VAL  93           H        VAL  93   9.531  17.083  14.057
  122    HA   VAL  93           HA       VAL  93   8.324  14.412  13.593
  123    HB   VAL  93           HB       VAL  93   7.188  17.113  12.837
  124   HG11  VAL  93          HG11      VAL  93   5.964  14.322  12.605
  125   HG12  VAL  93          HG12      VAL  93   5.136  15.847  12.216
  126   HG13  VAL  93          HG13      VAL  93   6.513  15.324  11.243
  127   HG21  VAL  93          HG21      VAL  93   5.370  16.669  14.459
  128   HG22  VAL  93          HG22      VAL  93   6.267  15.235  15.027
  129   HG23  VAL  93          HG23      VAL  93   6.966  16.869  15.200
  130    H    ILE  94           H        ILE  94   8.602  13.657  11.523
  131    HA   ILE  94           HA       ILE  94   9.717  15.345   9.373
  132    HB   ILE  94           HB       ILE  94  11.457  13.661   8.823
  133   HG12  ILE  94          HG12      ILE  94  10.845  12.468  11.553
  134   HG13  ILE  94          HG13      ILE  94  10.499  11.717   9.996
  135   HG21  ILE  94          HG21      ILE  94  11.953  15.763  10.058
  136   HG22  ILE  94          HG22      ILE  94  11.905  14.844  11.582
  137   HG23  ILE  94          HG23      ILE  94  13.122  14.473  10.341
  138   HD11  ILE  94          HD11      ILE  94  13.277  12.313  11.078
  139   HD12  ILE  94          HD12      ILE  94  12.484  10.743  10.974
  140   HD13  ILE  94          HD13      ILE  94  12.902  11.601   9.476
  141    H    GLU  95           H        GLU  95   9.747  14.229   7.347
  142    HA   GLU  95           HA       GLU  95   7.914  11.911   6.957
  143    HB2  GLU  95           HB2      GLU  95   7.719  14.672   5.684
  144    HB3  GLU  95           HB3      GLU  95   7.052  13.238   4.911
  145    HG2  GLU  95           HG2      GLU  95   5.505  12.857   6.709
  146    HG3  GLU  95           HG3      GLU  95   6.253  14.113   7.701
  147    H    THR  96           H        THR  96   8.548  10.525   5.434
  148    HA   THR  96           HA       THR  96  10.314  11.308   3.202
  149    HB   THR  96           HB       THR  96  12.016  10.799   4.755
  150    HG1  THR  96           HG1      THR  96  12.935   9.002   3.794
  151   HG21  THR  96          HG21      THR  96  12.160   8.663   6.012
  152   HG22  THR  96          HG22      THR  96  10.795   9.653   6.552
  153   HG23  THR  96          HG23      THR  96  10.517   8.252   5.484
  154    H    LYS  97           H        LYS  97  10.397   9.657   1.517
  155    HA   LYS  97           HA       LYS  97   8.003   7.878   1.421
  156    HB2  LYS  97           HB2      LYS  97  10.109   8.631  -0.647
  157    HB3  LYS  97           HB3      LYS  97   8.790   7.487  -0.938
  158    HG2  LYS  97           HG2      LYS  97   7.127   9.235  -0.340
  159    HG3  LYS  97           HG3      LYS  97   8.429  10.419  -0.172
  160    HD2  LYS  97           HD2      LYS  97   7.738   8.911  -2.734
  161    HD3  LYS  97           HD3      LYS  97   7.247  10.567  -2.343
  162    HE2  LYS  97           HE2      LYS  97   9.655  11.232  -2.188
  163    HE3  LYS  97           HE3      LYS  97  10.127   9.595  -2.656
  164    HZ1  LYS  97           HZ1      LYS  97  10.099  11.080  -4.577
  165    HZ2  LYS  97           HZ2      LYS  97   8.956   9.936  -4.778
  166    HZ3  LYS  97           HZ3      LYS  97   8.523  11.457  -4.347
  167    H    GLY  98           H        GLY  98  11.050   7.541   2.695
  168    HA2  GLY  98           HA2      GLY  98  11.503   5.413   3.784
  169    HA3  GLY  98           HA3      GLY  98  11.022   4.556   2.323
  170    H    GLY  99           H        GLY  99  12.876   7.237   1.401
  171    HA2  GLY  99           HA2      GLY  99  15.201   5.647   0.660
  172    HA3  GLY  99           HA3      GLY  99  14.971   7.374   0.413
  173    H    ASN 100           H        ASN 100  17.407   6.847   0.989
  174    HA   ASN 100           HA       ASN 100  18.173   6.617   3.747
  175    HB2  ASN 100           HB2      ASN 100  19.629   5.985   1.862
  176    HB3  ASN 100           HB3      ASN 100  19.680   7.663   1.318
  177   HD21  ASN 100          HD22      ASN 100  22.018   7.636   1.528
  178   HD22  ASN 100          HD21      ASN 100  22.751   7.733   3.122
  179    H    HIS 101           H        HIS 101  16.795   8.102   4.814
  180    HA   HIS 101           HA       HIS 101  17.353  11.022   4.505
  181    HB2  HIS 101           HB2      HIS 101  15.028  10.082   4.341
  182    HB3  HIS 101           HB3      HIS 101  15.125   9.595   6.027
  183    HD1  HIS 101           HD1      HIS 101  14.811  11.601   7.817
  184    HD2  HIS 101           HD2      HIS 101  14.832  12.704   3.751
  185    HE1  HIS 101           HE1      HIS 101  14.238  14.122   7.756
  186    HE2  HIS 101           HE2      HIS 101  14.169  14.760   5.249
  187    H    LYS 102           H        LYS 102  19.294  11.285   5.573
  188    HA   LYS 102           HA       LYS 102  20.422   9.936   7.622
  189    HB2  LYS 102           HB2      LYS 102  21.524  11.638   6.245
  190    HB3  LYS 102           HB3      LYS 102  20.646  12.922   7.063
  191    HG2  LYS 102           HG2      LYS 102  22.928  12.838   7.829
  192    HG3  LYS 102           HG3      LYS 102  21.850  12.445   9.164
  193    HD2  LYS 102           HD2      LYS 102  22.355  10.031   8.888
  194    HD3  LYS 102           HD3      LYS 102  23.403  10.381   7.510
  195    HE2  LYS 102           HE2      LYS 102  23.820  11.440  10.351
  196    HE3  LYS 102           HE3      LYS 102  24.557   9.961   9.729
  197    HZ1  LYS 102           HZ1      LYS 102  25.696  11.316   8.032
  198    HZ2  LYS 102           HZ2      LYS 102  25.048  12.695   8.638
  199    HZ3  LYS 102           HZ3      LYS 102  26.092  11.820   9.532
  200    H    THR 103           H        THR 103  18.289  12.735   8.328
  201    HA   THR 103           HA       THR 103  18.528  12.688  11.133
  202    HB   THR 103           HB       THR 103  15.990  13.299   9.551
  203    HG1  THR 103           HG1      THR 103  16.876  15.425   9.498
  204   HG21  THR 103          HG21      THR 103  16.982  14.384  12.224
  205   HG22  THR 103          HG22      THR 103  15.552  14.955  11.330
  206   HG23  THR 103          HG23      THR 103  15.581  13.313  11.982
  207    H    LEU 104           H        LEU 104  16.537  10.535   9.116
  208    HA   LEU 104           HA       LEU 104  15.116   9.331  11.419
  209    HB2  LEU 104           HB2      LEU 104  14.165   9.446   9.047
  210    HB3  LEU 104           HB3      LEU 104  15.453   8.356   8.531
  211    HG   LEU 104           HG       LEU 104  14.561   6.689  10.272
  212   HD11  LEU 104          HD11      LEU 104  13.191   8.257  11.622
  213   HD12  LEU 104          HD12      LEU 104  12.156   8.552  10.199
  214   HD13  LEU 104          HD13      LEU 104  12.223   6.948  10.937
  215   HD21  LEU 104          HD21      LEU 104  12.806   5.875   8.819
  216   HD22  LEU 104          HD22      LEU 104  12.673   7.458   8.025
  217   HD23  LEU 104          HD23      LEU 104  14.149   6.477   7.837
  218    H    LYS 105           H        LYS 105  17.882   8.518   9.233
  219    HA   LYS 105           HA       LYS 105  18.556   6.029  10.382
  220    HB2  LYS 105           HB2      LYS 105  19.514   7.280   8.296
  221    HB3  LYS 105           HB3      LYS 105  20.658   8.006   9.464
  222    HG2  LYS 105           HG2      LYS 105  21.398   5.739  10.129
  223    HG3  LYS 105           HG3      LYS 105  20.229   5.023   8.998
  224    HD2  LYS 105           HD2      LYS 105  21.401   6.131   7.102
  225    HD3  LYS 105           HD3      LYS 105  22.584   6.819   8.236
  226    HE2  LYS 105           HE2      LYS 105  23.235   4.525   8.943
  227    HE3  LYS 105           HE3      LYS 105  22.051   3.837   7.824
  228    HZ1  LYS 105           HZ1      LYS 105  23.314   4.847   5.979
  229    HZ2  LYS 105           HZ2      LYS 105  24.417   5.468   7.019
  230    HZ3  LYS 105           HZ3      LYS 105  24.278   3.854   6.840
  231    H    GLU 106           H        GLU 106  19.649   9.285  11.355
  232    HA   GLU 106           HA       GLU 106  21.183   8.482  13.566
  233    HB2  GLU 106           HB2      GLU 106  19.663  11.011  12.887
  234    HB3  GLU 106           HB3      GLU 106  20.317  10.812  14.515
  235    HG2  GLU 106           HG2      GLU 106  22.547  10.345  13.589
  236    HG3  GLU 106           HG3      GLU 106  21.908  10.598  11.943
  237    H    TRP 107           H        TRP 107  17.670   9.193  13.455
  238    HA   TRP 107           HA       TRP 107  17.207   8.645  16.222
  239    HB2  TRP 107           HB2      TRP 107  15.298   8.377  13.875
  240    HB3  TRP 107           HB3      TRP 107  14.840   8.338  15.560
  241    HD1  TRP 107           HD1      TRP 107  17.332  11.003  15.360
  242    HE1  TRP 107           HE1      TRP 107  16.271  13.313  15.150
  243    HE3  TRP 107           HE3      TRP 107  12.548   9.610  14.104
  244    HZ2  TRP 107           HZ2      TRP 107  13.742  14.428  14.480
  245    HZ3  TRP 107           HZ3      TRP 107  10.816  11.358  13.729
  246    HH2  TRP 107           HH2      TRP 107  11.409  13.782  13.914
  247    H    LYS 108           H        LYS 108  17.170   6.420  13.420
  248    HA   LYS 108           HA       LYS 108  16.333   4.050  14.878
  249    HB2  LYS 108           HB2      LYS 108  17.996   4.323  12.329
  250    HB3  LYS 108           HB3      LYS 108  17.281   2.801  12.935
  251    HG2  LYS 108           HG2      LYS 108  15.014   3.711  12.657
  252    HG3  LYS 108           HG3      LYS 108  15.647   5.266  12.196
  253    HD2  LYS 108           HD2      LYS 108  15.336   4.563  10.088
  254    HD3  LYS 108           HD3      LYS 108  16.882   3.742  10.293
  255    HE2  LYS 108           HE2      LYS 108  15.644   1.688  11.021
  256    HE3  LYS 108           HE3      LYS 108  14.106   2.553  10.805
  257    HZ1  LYS 108           HZ1      LYS 108  14.664   1.174   8.851
  258    HZ2  LYS 108           HZ2      LYS 108  14.635   2.743   8.411
  259    HZ3  LYS 108           HZ3      LYS 108  16.066   1.970   8.614
  260    H    ALA 109           H        ALA 109  19.522   5.463  14.247
  261    HA   ALA 109           HA       ALA 109  21.019   3.350  15.547
  262    HB1  ALA 109           HB1      ALA 109  21.732   6.263  14.984
  263    HB2  ALA 109           HB2      ALA 109  22.873   4.970  15.414
  264    HB3  ALA 109           HB3      ALA 109  21.980   4.889  13.879
  265    H    LYS 110           H        LYS 110  19.707   6.463  16.689
  266    HA   LYS 110           HA       LYS 110  20.922   6.294  19.332
  267    HB2  LYS 110           HB2      LYS 110  18.842   8.133  18.103
  268    HB3  LYS 110           HB3      LYS 110  19.442   8.331  19.753
  269    HG2  LYS 110           HG2      LYS 110  21.707   8.709  19.001
  270    HG3  LYS 110           HG3      LYS 110  21.299   8.284  17.338
  271    HD2  LYS 110           HD2      LYS 110  19.646  10.242  17.346
  272    HD3  LYS 110           HD3      LYS 110  20.372  10.734  18.891
  273    HE2  LYS 110           HE2      LYS 110  22.630  10.764  17.740
  274    HE3  LYS 110           HE3      LYS 110  21.829  10.370  16.217
  275    HZ1  LYS 110           HZ1      LYS 110  20.467  12.519  16.706
  276    HZ2  LYS 110           HZ2      LYS 110  21.675  12.898  17.746
  277    HZ3  LYS 110           HZ3      LYS 110  21.983  12.671  16.138
  278    H    TRP 111           H        TRP 111  17.676   5.517  18.161
  279    HA   TRP 111           HA       TRP 111  16.926   4.611  20.924
  280    HB2  TRP 111           HB2      TRP 111  15.261   6.057  18.832
  281    HB3  TRP 111           HB3      TRP 111  14.640   5.412  20.346
  282    HD1  TRP 111           HD1      TRP 111  15.998   6.314  22.643
  283    HE1  TRP 111           HE1      TRP 111  16.844   8.658  23.239
  284    HE3  TRP 111           HE3      TRP 111  15.912   8.404  17.984
  285    HZ2  TRP 111           HZ2      TRP 111  17.591  11.071  21.842
  286    HZ3  TRP 111           HZ3      TRP 111  16.800  10.715  17.636
  287    HH2  TRP 111           HH2      TRP 111  17.625  12.051  19.554
  288    H    GLY 112           H        GLY 112  17.430   3.350  17.871
  289    HA2  GLY 112           HA2      GLY 112  17.374   1.016  17.583
  290    HA3  GLY 112           HA3      GLY 112  15.939   0.869  18.588
  291    HA   PRO 113           HA       PRO 113  14.995   1.897  13.919
  292    HB2  PRO 113           HB2      PRO 113  15.187  -0.574  12.614
  293    HB3  PRO 113           HB3      PRO 113  16.413   0.726  12.597
  294    HG2  PRO 113           HG2      PRO 113  16.333  -1.722  14.328
  295    HG3  PRO 113           HG3      PRO 113  17.740  -0.936  13.503
  296    HD2  PRO 113           HD2      PRO 113  17.255  -0.617  16.142
  297    HD3  PRO 113           HD3      PRO 113  17.891   0.723  15.130
  298    H    GLU 114           H        GLU 114  14.195  -1.073  15.768
  299    HA   GLU 114           HA       GLU 114  11.599  -1.439  14.632
  300    HB2  GLU 114           HB2      GLU 114  12.789  -2.293  17.297
  301    HB3  GLU 114           HB3      GLU 114  11.209  -2.827  16.702
  302    HG2  GLU 114           HG2      GLU 114  12.303  -3.806  14.688
  303    HG3  GLU 114           HG3      GLU 114  13.880  -3.351  15.336
  304    H    ALA 115           H        ALA 115  12.744   0.373  17.450
  305    HA   ALA 115           HA       ALA 115  10.143   1.215  18.409
  306    HB1  ALA 115           HB1      ALA 115  12.909   2.459  18.732
  307    HB2  ALA 115           HB2      ALA 115  11.475   2.894  19.672
  308    HB3  ALA 115           HB3      ALA 115  12.170   1.264  19.818
  309    H    VAL 116           H        VAL 116  12.604   2.809  16.302
  310    HA   VAL 116           HA       VAL 116  11.029   5.128  15.759
  311    HB   VAL 116           HB       VAL 116  13.271   3.840  14.171
  312   HG11  VAL 116          HG11      VAL 116  13.556   6.106  13.156
  313   HG12  VAL 116          HG12      VAL 116  12.040   5.332  12.671
  314   HG13  VAL 116          HG13      VAL 116  12.028   6.614  13.906
  315   HG21  VAL 116          HG21      VAL 116  13.223   6.202  16.110
  316   HG22  VAL 116          HG22      VAL 116  13.900   4.627  16.497
  317   HG23  VAL 116          HG23      VAL 116  14.626   5.597  15.227
  318    H    GLU 117           H        GLU 117  11.128   1.977  13.954
  319    HA   GLU 117           HA       GLU 117   9.221   2.914  11.979
  320    HB2  GLU 117           HB2      GLU 117  10.063   0.144  12.922
  321    HB3  GLU 117           HB3      GLU 117   8.785   0.371  11.736
  322    HG2  GLU 117           HG2      GLU 117  11.651   1.337  11.407
  323    HG3  GLU 117           HG3      GLU 117  10.938  -0.085  10.649
  324    H    SER 118           H        SER 118   8.830   1.715  15.283
  325    HA   SER 118           HA       SER 118   5.953   1.376  15.114
  326    HB2  SER 118           HB2      SER 118   7.302   0.358  16.840
  327    HB3  SER 118           HB3      SER 118   7.582   1.955  17.574
  328    HG   SER 118           HG       SER 118   5.790   0.799  18.514
  329    H    TRP 119           H        TRP 119   8.082   4.202  15.519
  330    HA   TRP 119           HA       TRP 119   5.946   6.074  16.172
  331    HB2  TRP 119           HB2      TRP 119   8.599   6.742  14.868
  332    HB3  TRP 119           HB3      TRP 119   7.529   7.813  15.721
  333    HD1  TRP 119           HD1      TRP 119   7.425   5.406  18.188
  334    HE1  TRP 119           HE1      TRP 119   9.314   5.531  19.905
  335    HE3  TRP 119           HE3      TRP 119  10.747   8.368  15.575
  336    HZ2  TRP 119           HZ2      TRP 119  11.961   6.602  20.076
  337    HZ3  TRP 119           HZ3      TRP 119  12.881   9.028  16.632
  338    HH2  TRP 119           HH2      TRP 119  13.530   8.131  18.851
  339    H    ALA 120           H        ALA 120   6.800   4.451  13.241
  340    HA   ALA 120           HA       ALA 120   6.331   6.546  11.383
  341    HB1  ALA 120           HB1      ALA 120   7.522   4.357  10.915
  342    HB2  ALA 120           HB2      ALA 120   5.927   3.590  10.833
  343    HB3  ALA 120           HB3      ALA 120   6.355   4.862   9.678
  344    H    THR 121           H        THR 121   4.589   7.200  10.212
  345    HA   THR 121           HA       THR 121   1.990   5.728  10.281
  346    HB   THR 121           HB       THR 121   0.949   8.124  10.185
  347    HG1  THR 121           HG1      THR 121   3.300   8.638  11.706
  348   HG21  THR 121          HG21      THR 121   1.954   7.043  12.841
  349   HG22  THR 121          HG22      THR 121   0.629   8.203  12.599
  350   HG23  THR 121          HG23      THR 121   0.471   6.546  11.992
  351    H    LEU 122           H        LEU 122   1.456   5.180   8.393
  352    HA   LEU 122           HA       LEU 122   2.582   6.318   5.960
  353    HB2  LEU 122           HB2      LEU 122   0.510   4.225   6.678
  354    HB3  LEU 122           HB3      LEU 122   0.789   4.681   4.994
  355    HG   LEU 122           HG       LEU 122   3.039   3.711   6.817
  356   HD11  LEU 122          HD11      LEU 122   1.312   1.941   6.639
  357   HD12  LEU 122          HD12      LEU 122   1.335   2.090   4.867
  358   HD13  LEU 122          HD13      LEU 122   2.772   1.505   5.734
  359   HD21  LEU 122          HD21      LEU 122   3.741   4.930   4.744
  360   HD22  LEU 122          HD22      LEU 122   4.150   3.212   4.651
  361   HD23  LEU 122          HD23      LEU 122   2.746   3.831   3.769
  362    H    LEU 123           H        LEU 123   1.929   8.159   5.081
  363    HA   LEU 123           HA       LEU 123  -0.665   9.377   5.734
  364    HB2  LEU 123           HB2      LEU 123   1.505  10.263   3.784
  365    HB3  LEU 123           HB3      LEU 123   0.167  11.239   4.370
  366    HG   LEU 123           HG       LEU 123   2.588  10.293   5.959
  367   HD11  LEU 123          HD11      LEU 123   2.863  12.288   4.540
  368   HD12  LEU 123          HD12      LEU 123   1.462  13.049   5.325
  369   HD13  LEU 123          HD13      LEU 123   2.926  12.700   6.256
  370   HD21  LEU 123          HD21      LEU 123   0.699  10.102   7.500
  371   HD22  LEU 123          HD22      LEU 123   1.569  11.587   7.871
  372   HD23  LEU 123          HD23      LEU 123   0.050  11.670   6.965
  373    H    GLY 124           H        GLY 124  -1.906  10.386   3.801
  374    HA2  GLY 124           HA2      GLY 124  -2.945   8.235   2.164
  375    HA3  GLY 124           HA3      GLY 124  -3.494   9.906   2.202
  376    H    HIS 125           H        HIS 125  -0.151   9.779   1.513
  377    HA   HIS 125           HA       HIS 125  -0.352   9.551  -1.396
  378    HB2  HIS 125           HB2      HIS 125   0.506  11.814  -1.817
  379    HB3  HIS 125           HB3      HIS 125  -1.098  11.836  -1.105
  380    HD1  HIS 125           HD1      HIS 125   2.033  11.517   1.094
  381    HD2  HIS 125           HD2      HIS 125  -0.881  14.305  -0.139
  382    HE1  HIS 125           HE1      HIS 125   2.406  13.675   2.533
  383    HE2  HIS 125           HE2      HIS 125   0.588  15.338   1.783
  Start of MODEL   14
    1    H    ALA  79           H1       ALA  79   2.477   0.633  -0.702
    2    HA   ALA  79           HA       ALA  79   4.328   1.696   0.281
    3    HB1  ALA  79           HB1      ALA  79   6.071  -0.364  -1.146
    4    HB2  ALA  79           HB2      ALA  79   6.644   0.993  -0.156
    5    HB3  ALA  79           HB3      ALA  79   5.718  -0.308   0.591
    6    H    ARG  80           H        ARG  80   2.859   2.912  -1.312
    7    HA   ARG  80           HA       ARG  80   4.654   4.323  -3.260
    8    HB2  ARG  80           HB2      ARG  80   1.786   3.536  -3.830
    9    HB3  ARG  80           HB3      ARG  80   2.798   4.677  -4.750
   10    HG2  ARG  80           HG2      ARG  80   4.472   2.888  -5.123
   11    HG3  ARG  80           HG3      ARG  80   3.356   1.720  -4.385
   12    HD2  ARG  80           HD2      ARG  80   1.638   2.274  -6.078
   13    HD3  ARG  80           HD3      ARG  80   2.743   3.407  -6.854
   14    HE   ARG  80           HE       ARG  80   2.797   0.463  -6.954
   15   HH11  ARG  80          HH11      ARG  80   4.680   3.334  -7.703
   16   HH12  ARG  80          HH12      ARG  80   5.701   2.474  -8.821
   17   HH21  ARG  80          HH21      ARG  80   4.140  -0.563  -8.375
   18   HH22  ARG  80          HH22      ARG  80   5.400   0.316  -9.186
   19    H    LYS  81           H        LYS  81   4.219   4.814  -0.552
   20    HA   LYS  81           HA       LYS  81   2.604   7.329  -0.378
   21    HB2  LYS  81           HB2      LYS  81   2.263   4.711   1.149
   22    HB3  LYS  81           HB3      LYS  81   1.872   6.255   1.941
   23    HG2  LYS  81           HG2      LYS  81   0.289   6.810   0.123
   24    HG3  LYS  81           HG3      LYS  81   0.653   5.269  -0.669
   25    HD2  LYS  81           HD2      LYS  81  -0.190   4.031   1.296
   26    HD3  LYS  81           HD3      LYS  81  -0.528   5.569   2.128
   27    HE2  LYS  81           HE2      LYS  81  -2.099   6.212   0.327
   28    HE3  LYS  81           HE3      LYS  81  -1.762   4.701  -0.525
   29    HZ1  LYS  81           HZ1      LYS  81  -3.802   4.539   0.795
   30    HZ2  LYS  81           HZ2      LYS  81  -2.701   3.490   1.382
   31    HZ3  LYS  81           HZ3      LYS  81  -3.014   4.891   2.176
   32    H    VAL  82           H        VAL  82   3.002   8.588   1.405
   33    HA   VAL  82           HA       VAL  82   5.831   8.747   2.270
   34    HB   VAL  82           HB       VAL  82   3.382  10.490   2.771
   35   HG11  VAL  82          HG11      VAL  82   6.266  10.986   3.637
   36   HG12  VAL  82          HG12      VAL  82   5.002  12.227   3.587
   37   HG13  VAL  82          HG13      VAL  82   4.825  10.868   4.688
   38   HG21  VAL  82          HG21      VAL  82   4.277  10.525   0.440
   39   HG22  VAL  82          HG22      VAL  82   4.496  12.072   1.263
   40   HG23  VAL  82          HG23      VAL  82   5.875  10.970   1.077
   41    H    LYS  83           H        LYS  83   6.579   8.367   4.302
   42    HA   LYS  83           HA       LYS  83   4.670   7.562   6.478
   43    HB2  LYS  83           HB2      LYS  83   7.541   6.713   5.915
   44    HB3  LYS  83           HB3      LYS  83   6.814   6.602   7.532
   45    HG2  LYS  83           HG2      LYS  83   5.027   5.174   6.705
   46    HG3  LYS  83           HG3      LYS  83   5.696   5.236   5.059
   47    HD2  LYS  83           HD2      LYS  83   7.699   4.076   5.727
   48    HD3  LYS  83           HD3      LYS  83   7.316   4.242   7.449
   49    HE2  LYS  83           HE2      LYS  83   5.354   2.796   7.219
   50    HE3  LYS  83           HE3      LYS  83   5.612   2.664   5.472
   51    HZ1  LYS  83           HZ1      LYS  83   7.746   1.539   5.936
   52    HZ2  LYS  83           HZ2      LYS  83   7.499   1.646   7.554
   53    HZ3  LYS  83           HZ3      LYS  83   6.523   0.722   6.635
   54    H    GLN  84           H        GLN  84   4.396   9.030   7.922
   55    HA   GLN  84           HA       GLN  84   6.352  11.205   8.461
   56    HB2  GLN  84           HB2      GLN  84   3.913  11.695   8.228
   57    HB3  GLN  84           HB3      GLN  84   3.575  10.625   9.581
   58    HG2  GLN  84           HG2      GLN  84   4.900  12.122  11.071
   59    HG3  GLN  84           HG3      GLN  84   5.261  13.170   9.697
   60   HE21  GLN  84          HE22      GLN  84   3.451  14.514   8.775
   61   HE22  GLN  84          HE21      GLN  84   2.013  14.715   9.764
   62    H    TYR  85           H        TYR  85   7.331  11.366  10.482
   63    HA   TYR  85           HA       TYR  85   7.014   9.146  12.459
   64    HB2  TYR  85           HB2      TYR  85   9.653  10.255  11.417
   65    HB3  TYR  85           HB3      TYR  85   9.490   9.217  12.810
   66    HD1  TYR  85           HD2      TYR  85   9.058   9.304   9.083
   67    HD2  TYR  85           HD1      TYR  85   9.528   6.880  12.617
   68    HE1  TYR  85           HE2      TYR  85   9.467   7.314   7.664
   69    HE2  TYR  85           HE1      TYR  85   9.988   4.899  11.197
   70    HH   TYR  85           HH       TYR  85   9.996   5.052   7.611
   71    H    LYS  86           H        LYS  86   7.414   9.815  14.595
   72    HA   LYS  86           HA       LYS  86   8.016  12.694  15.108
   73    HB2  LYS  86           HB2      LYS  86   5.576  12.356  15.208
   74    HB3  LYS  86           HB3      LYS  86   5.789  11.043  16.387
   75    HG2  LYS  86           HG2      LYS  86   6.662  12.613  18.046
   76    HG3  LYS  86           HG3      LYS  86   6.612  13.938  16.867
   77    HD2  LYS  86           HD2      LYS  86   4.143  13.710  16.710
   78    HD3  LYS  86           HD3      LYS  86   4.196  12.386  17.892
   79    HE2  LYS  86           HE2      LYS  86   5.200  13.929  19.572
   80    HE3  LYS  86           HE3      LYS  86   5.155  15.245  18.393
   81    HZ1  LYS  86           HZ1      LYS  86   2.713  15.054  18.359
   82    HZ2  LYS  86           HZ2      LYS  86   2.751  13.833  19.449
   83    HZ3  LYS  86           HZ3      LYS  86   3.226  15.331  19.881
   84    H    ASN  87           H        ASN  87   9.241  13.071  16.916
   85    HA   ASN  87           HA       ASN  87  10.331  10.655  18.345
   86    HB2  ASN  87           HB2      ASN  87  11.849  11.647  16.698
   87    HB3  ASN  87           HB3      ASN  87  11.815  13.179  17.574
   88   HD21  ASN  87          HD22      ASN  87  14.236  12.108  17.202
   89   HD22  ASN  87          HD21      ASN  87  14.821  11.324  18.665
   90    HA   PRO  88           HA       PRO  88   8.185  12.926  21.744
   91    HB2  PRO  88           HB2      PRO  88   9.092  10.295  22.948
   92    HB3  PRO  88           HB3      PRO  88   7.597  11.226  23.284
   93    HG2  PRO  88           HG2      PRO  88   7.536   9.120  21.582
   94    HG3  PRO  88           HG3      PRO  88   6.675  10.639  21.159
   95    HD2  PRO  88           HD2      PRO  88   9.316   9.619  20.133
   96    HD3  PRO  88           HD3      PRO  88   8.003  10.489  19.275
   97    H    HIS  89           H        HIS  89  11.483  11.630  21.667
   98    HA   HIS  89           HA       HIS  89  12.383  12.645  24.204
   99    HB2  HIS  89           HB2      HIS  89  14.029  12.073  21.700
  100    HB3  HIS  89           HB3      HIS  89  14.630  12.199  23.352
  101    HD1  HIS  89           HD1      HIS  89  13.049   9.739  20.990
  102    HD2  HIS  89           HD2      HIS  89  13.742  10.228  25.133
  103    HE1  HIS  89           HE1      HIS  89  12.632   7.417  22.100
  104    HE2  HIS  89           HE2      HIS  89  13.061   7.741  24.614
  105    H    THR  90           H        THR  90  12.089  14.213  21.062
  106    HA   THR  90           HA       THR  90  13.139  16.783  22.211
  107    HB   THR  90           HB       THR  90  13.975  17.310  19.997
  108    HG1  THR  90           HG1      THR  90  13.792  15.906  18.343
  109   HG21  THR  90          HG21      THR  90  15.741  15.657  19.742
  110   HG22  THR  90          HG22      THR  90  15.447  15.890  21.476
  111   HG23  THR  90          HG23      THR  90  14.808  14.448  20.640
  112    H    GLY  91           H        GLY  91  10.455  15.266  20.602
  113    HA2  GLY  91           HA2      GLY  91   8.316  16.197  20.295
  114    HA3  GLY  91           HA3      GLY  91   8.972  17.828  20.412
  115    H    GLU  92           H        GLU  92  11.059  16.193  18.370
  116    HA   GLU  92           HA       GLU  92  10.288  17.601  16.031
  117    HB2  GLU  92           HB2      GLU  92  12.238  15.428  16.742
  118    HB3  GLU  92           HB3      GLU  92  11.830  15.584  15.043
  119    HG2  GLU  92           HG2      GLU  92  12.505  17.703  14.802
  120    HG3  GLU  92           HG3      GLU  92  12.540  18.063  16.550
  121    H    VAL  93           H        VAL  93   9.514  17.053  14.081
  122    HA   VAL  93           HA       VAL  93   8.345  14.375  13.579
  123    HB   VAL  93           HB       VAL  93   7.209  17.069  12.795
  124   HG11  VAL  93          HG11      VAL  93   6.019  14.267  12.492
  125   HG12  VAL  93          HG12      VAL  93   5.194  15.785  12.083
  126   HG13  VAL  93          HG13      VAL  93   6.612  15.287  11.158
  127   HG21  VAL  93          HG21      VAL  93   6.230  15.150  14.923
  128   HG22  VAL  93          HG22      VAL  93   6.924  16.778  15.155
  129   HG23  VAL  93          HG23      VAL  93   5.351  16.594  14.355
  130    H    ILE  94           H        ILE  94   8.691  13.619  11.523
  131    HA   ILE  94           HA       ILE  94   9.787  15.334   9.390
  132    HB   ILE  94           HB       ILE  94  11.511  13.653   8.792
  133   HG12  ILE  94          HG12      ILE  94  10.917  12.416  11.507
  134   HG13  ILE  94          HG13      ILE  94  10.555  11.701   9.933
  135   HG21  ILE  94          HG21      ILE  94  12.036  15.732  10.045
  136   HG22  ILE  94          HG22      ILE  94  11.981  14.809  11.564
  137   HG23  ILE  94          HG23      ILE  94  13.197  14.433  10.328
  138   HD11  ILE  94          HD11      ILE  94  12.933  11.543   9.405
  139   HD12  ILE  94          HD12      ILE  94  13.351  12.252  10.994
  140   HD13  ILE  94          HD13      ILE  94  12.540  10.693  10.913
  141    H    GLU  95           H        GLU  95   9.762  14.248   7.341
  142    HA   GLU  95           HA       GLU  95   7.905  11.946   7.000
  143    HB2  GLU  95           HB2      GLU  95   7.638  14.715   5.767
  144    HB3  GLU  95           HB3      GLU  95   6.927  13.278   5.017
  145    HG2  GLU  95           HG2      GLU  95   5.560  12.833   6.945
  146    HG3  GLU  95           HG3      GLU  95   6.358  14.108   7.879
  147    H    THR  96           H        THR  96   8.449  10.576   5.425
  148    HA   THR  96           HA       THR  96  10.243  11.326   3.198
  149    HB   THR  96           HB       THR  96  11.917  10.764   4.755
  150    HG1  THR  96           HG1      THR  96  12.803   8.952   3.778
  151   HG21  THR  96          HG21      THR  96  10.716   9.626   6.544
  152   HG22  THR  96          HG22      THR  96  10.339   8.256   5.465
  153   HG23  THR  96          HG23      THR  96  12.012   8.579   5.959
  154    H    LYS  97           H        LYS  97  10.344   9.670   1.535
  155    HA   LYS  97           HA       LYS  97   7.878   7.978   1.351
  156    HB2  LYS  97           HB2      LYS  97   9.991   8.816  -0.687
  157    HB3  LYS  97           HB3      LYS  97   8.662   7.698  -1.034
  158    HG2  LYS  97           HG2      LYS  97   6.993   9.408  -0.492
  159    HG3  LYS  97           HG3      LYS  97   8.262  10.545  -0.022
  160    HD2  LYS  97           HD2      LYS  97   7.484  11.143  -2.217
  161    HD3  LYS  97           HD3      LYS  97   9.146  10.552  -2.333
  162    HE2  LYS  97           HE2      LYS  97   8.318   8.338  -3.121
  163    HE3  LYS  97           HE3      LYS  97   6.647   8.904  -2.956
  164    HZ1  LYS  97           HZ1      LYS  97   7.441   9.102  -5.257
  165    HZ2  LYS  97           HZ2      LYS  97   7.130  10.589  -4.669
  166    HZ3  LYS  97           HZ3      LYS  97   8.670  10.073  -4.816
  167    H    GLY  98           H        GLY  98  10.928   7.538   2.580
  168    HA2  GLY  98           HA2      GLY  98  11.330   5.337   3.560
  169    HA3  GLY  98           HA3      GLY  98  10.855   4.579   2.045
  170    H    GLY  99           H        GLY  99  12.748   7.247   1.235
  171    HA2  GLY  99           HA2      GLY  99  15.077   5.657   0.503
  172    HA3  GLY  99           HA3      GLY  99  14.863   7.390   0.296
  173    H    ASN 100           H        ASN 100  17.296   6.819   0.915
  174    HA   ASN 100           HA       ASN 100  17.959   6.541   3.702
  175    HB2  ASN 100           HB2      ASN 100  19.467   5.891   1.869
  176    HB3  ASN 100           HB3      ASN 100  19.577   7.574   1.337
  177   HD21  ASN 100          HD22      ASN 100  21.910   7.435   1.631
  178   HD22  ASN 100          HD21      ASN 100  22.579   7.533   3.253
  179    H    HIS 101           H        HIS 101  16.564   8.066   4.716
  180    HA   HIS 101           HA       HIS 101  17.199  10.962   4.460
  181    HB2  HIS 101           HB2      HIS 101  14.851  10.060   4.371
  182    HB3  HIS 101           HB3      HIS 101  14.994   9.586   6.060
  183    HD1  HIS 101           HD1      HIS 101  14.812  11.633   7.834
  184    HD2  HIS 101           HD2      HIS 101  14.722  12.672   3.750
  185    HE1  HIS 101           HE1      HIS 101  14.316  14.170   7.749
  186    HE2  HIS 101           HE2      HIS 101  14.188  14.770   5.238
  187    H    LYS 102           H        LYS 102  19.158  11.181   5.442
  188    HA   LYS 102           HA       LYS 102  20.384   9.815   7.427
  189    HB2  LYS 102           HB2      LYS 102  21.021  11.895   5.878
  190    HB3  LYS 102           HB3      LYS 102  20.803  12.817   7.350
  191    HG2  LYS 102           HG2      LYS 102  22.740  10.499   6.892
  192    HG3  LYS 102           HG3      LYS 102  23.125  12.215   6.876
  193    HD2  LYS 102           HD2      LYS 102  22.363  12.285   9.330
  194    HD3  LYS 102           HD3      LYS 102  22.393  10.503   9.273
  195    HE2  LYS 102           HE2      LYS 102  24.780  10.615   8.461
  196    HE3  LYS 102           HE3      LYS 102  24.710  12.375   8.594
  197    HZ1  LYS 102           HZ1      LYS 102  25.708  11.553  10.578
  198    HZ2  LYS 102           HZ2      LYS 102  24.197  12.034  11.019
  199    HZ3  LYS 102           HZ3      LYS 102  24.545  10.437  10.838
  200    H    THR 103           H        THR 103  18.297  12.625   8.224
  201    HA   THR 103           HA       THR 103  18.630  12.598  11.021
  202    HB   THR 103           HB       THR 103  16.060  13.250   9.515
  203    HG1  THR 103           HG1      THR 103  17.004  15.352   9.424
  204   HG21  THR 103          HG21      THR 103  15.738  13.301  11.961
  205   HG22  THR 103          HG22      THR 103  17.167  14.340  12.142
  206   HG23  THR 103          HG23      THR 103  15.718  14.931  11.290
  207    H    LEU 104           H        LEU 104  16.556  10.449   9.080
  208    HA   LEU 104           HA       LEU 104  15.136   9.302  11.396
  209    HB2  LEU 104           HB2      LEU 104  14.180   9.376   9.042
  210    HB3  LEU 104           HB3      LEU 104  15.470   8.296   8.519
  211    HG   LEU 104           HG       LEU 104  14.602   6.573  10.163
  212   HD11  LEU 104          HD11      LEU 104  13.314   8.092  11.675
  213   HD12  LEU 104          HD12      LEU 104  12.212   8.461  10.322
  214   HD13  LEU 104          HD13      LEU 104  12.305   6.823  10.974
  215   HD21  LEU 104          HD21      LEU 104  12.603   7.516   8.077
  216   HD22  LEU 104          HD22      LEU 104  14.047   6.524   7.747
  217   HD23  LEU 104          HD23      LEU 104  12.743   5.885   8.765
  218    H    LYS 105           H        LYS 105  17.889   8.394   9.231
  219    HA   LYS 105           HA       LYS 105  18.563   5.948  10.446
  220    HB2  LYS 105           HB2      LYS 105  19.522   7.165   8.332
  221    HB3  LYS 105           HB3      LYS 105  20.675   7.894   9.485
  222    HG2  LYS 105           HG2      LYS 105  21.386   5.615  10.180
  223    HG3  LYS 105           HG3      LYS 105  20.206   4.907   9.060
  224    HD2  LYS 105           HD2      LYS 105  21.392   5.956   7.143
  225    HD3  LYS 105           HD3      LYS 105  22.570   6.674   8.268
  226    HE2  LYS 105           HE2      LYS 105  23.234   4.398   9.021
  227    HE3  LYS 105           HE3      LYS 105  22.046   3.681   7.930
  228    HZ1  LYS 105           HZ1      LYS 105  23.287   4.625   6.048
  229    HZ2  LYS 105           HZ2      LYS 105  24.392   5.304   7.053
  230    HZ3  LYS 105           HZ3      LYS 105  24.269   3.679   6.936
  231    H    GLU 106           H        GLU 106  19.694   9.216  11.325
  232    HA   GLU 106           HA       GLU 106  21.205   8.463  13.571
  233    HB2  GLU 106           HB2      GLU 106  19.715  10.982  12.806
  234    HB3  GLU 106           HB3      GLU 106  20.330  10.825  14.461
  235    HG2  GLU 106           HG2      GLU 106  22.572  10.385  13.667
  236    HG3  GLU 106           HG3      GLU 106  22.004  10.397  11.979
  237    H    TRP 107           H        TRP 107  17.686   9.180  13.449
  238    HA   TRP 107           HA       TRP 107  17.245   8.688  16.226
  239    HB2  TRP 107           HB2      TRP 107  15.311   8.381  13.902
  240    HB3  TRP 107           HB3      TRP 107  14.870   8.370  15.596
  241    HD1  TRP 107           HD1      TRP 107  17.350  11.031  15.332
  242    HE1  TRP 107           HE1      TRP 107  16.284  13.336  15.089
  243    HE3  TRP 107           HE3      TRP 107  12.572   9.598  14.115
  244    HZ2  TRP 107           HZ2      TRP 107  13.742  14.434  14.404
  245    HZ3  TRP 107           HZ3      TRP 107  10.830  11.325  13.716
  246    HH2  TRP 107           HH2      TRP 107  11.407  13.756  13.850
  247    H    LYS 108           H        LYS 108  17.221   6.408  13.473
  248    HA   LYS 108           HA       LYS 108  16.374   4.065  14.971
  249    HB2  LYS 108           HB2      LYS 108  18.073   4.274  12.441
  250    HB3  LYS 108           HB3      LYS 108  17.360   2.772  13.080
  251    HG2  LYS 108           HG2      LYS 108  15.084   3.755  12.815
  252    HG3  LYS 108           HG3      LYS 108  15.779   5.208  12.155
  253    HD2  LYS 108           HD2      LYS 108  15.528   4.289  10.122
  254    HD3  LYS 108           HD3      LYS 108  16.927   3.271  10.508
  255    HE2  LYS 108           HE2      LYS 108  15.327   1.618  11.555
  256    HE3  LYS 108           HE3      LYS 108  13.979   2.635  11.034
  257    HZ1  LYS 108           HZ1      LYS 108  14.319   0.842   9.480
  258    HZ2  LYS 108           HZ2      LYS 108  14.684   2.239   8.706
  259    HZ3  LYS 108           HZ3      LYS 108  15.892   1.247   9.208
  260    H    ALA 109           H        ALA 109  19.569   5.462  14.339
  261    HA   ALA 109           HA       ALA 109  21.060   3.401  15.718
  262    HB1  ALA 109           HB1      ALA 109  22.030   4.901  14.017
  263    HB2  ALA 109           HB2      ALA 109  21.765   6.301  15.078
  264    HB3  ALA 109           HB3      ALA 109  22.908   5.027  15.556
  265    H    LYS 110           H        LYS 110  19.696   6.518  16.759
  266    HA   LYS 110           HA       LYS 110  20.887   6.438  19.418
  267    HB2  LYS 110           HB2      LYS 110  18.822   8.223  18.083
  268    HB3  LYS 110           HB3      LYS 110  19.361   8.468  19.750
  269    HG2  LYS 110           HG2      LYS 110  21.641   8.850  19.074
  270    HG3  LYS 110           HG3      LYS 110  21.308   8.372  17.404
  271    HD2  LYS 110           HD2      LYS 110  19.681  10.289  17.226
  272    HD3  LYS 110           HD3      LYS 110  20.201  10.837  18.820
  273    HE2  LYS 110           HE2      LYS 110  21.992  10.525  16.345
  274    HE3  LYS 110           HE3      LYS 110  21.282  12.035  16.911
  275    HZ1  LYS 110           HZ1      LYS 110  22.545  11.793  19.000
  276    HZ2  LYS 110           HZ2      LYS 110  23.270  10.430  18.448
  277    HZ3  LYS 110           HZ3      LYS 110  23.548  11.866  17.718
  278    H    TRP 111           H        TRP 111  17.654   5.610  18.248
  279    HA   TRP 111           HA       TRP 111  16.891   4.786  21.029
  280    HB2  TRP 111           HB2      TRP 111  15.239   6.196  18.900
  281    HB3  TRP 111           HB3      TRP 111  14.592   5.562  20.400
  282    HD1  TRP 111           HD1      TRP 111  15.832   6.514  22.714
  283    HE1  TRP 111           HE1      TRP 111  16.607   8.888  23.302
  284    HE3  TRP 111           HE3      TRP 111  15.987   8.491  18.013
  285    HZ2  TRP 111           HZ2      TRP 111  17.339  11.299  21.894
  286    HZ3  TRP 111           HZ3      TRP 111  16.847  10.806  17.650
  287    HH2  TRP 111           HH2      TRP 111  17.501  12.218  19.580
  288    H    GLY 112           H        GLY 112  17.417   3.429  18.021
  289    HA2  GLY 112           HA2      GLY 112  17.350   1.078  17.840
  290    HA3  GLY 112           HA3      GLY 112  15.885   0.988  18.799
  291    HA   PRO 113           HA       PRO 113  15.094   1.869  14.073
  292    HB2  PRO 113           HB2      PRO 113  15.380  -0.651  12.841
  293    HB3  PRO 113           HB3      PRO 113  16.582   0.671  12.815
  294    HG2  PRO 113           HG2      PRO 113  16.491  -1.719  14.621
  295    HG3  PRO 113           HG3      PRO 113  17.910  -0.919  13.823
  296    HD2  PRO 113           HD2      PRO 113  17.325  -0.551  16.428
  297    HD3  PRO 113           HD3      PRO 113  17.970   0.771  15.406
  298    H    GLU 114           H        GLU 114  14.265  -1.087  15.942
  299    HA   GLU 114           HA       GLU 114  11.715  -1.481  14.710
  300    HB2  GLU 114           HB2      GLU 114  12.823  -2.316  17.418
  301    HB3  GLU 114           HB3      GLU 114  11.260  -2.856  16.778
  302    HG2  GLU 114           HG2      GLU 114  12.419  -3.844  14.802
  303    HG3  GLU 114           HG3      GLU 114  13.977  -3.378  15.496
  304    H    ALA 115           H        ALA 115  12.737   0.351  17.565
  305    HA   ALA 115           HA       ALA 115  10.104   1.193  18.428
  306    HB1  ALA 115           HB1      ALA 115  12.096   1.285  19.885
  307    HB2  ALA 115           HB2      ALA 115  12.846   2.481  18.804
  308    HB3  ALA 115           HB3      ALA 115  11.376   2.902  19.700
  309    H    VAL 116           H        VAL 116  12.616   2.806  16.408
  310    HA   VAL 116           HA       VAL 116  11.039   5.092  15.762
  311    HB   VAL 116           HB       VAL 116  13.365   3.807  14.312
  312   HG11  VAL 116          HG11      VAL 116  13.691   6.049  13.262
  313   HG12  VAL 116          HG12      VAL 116  12.182   5.281  12.732
  314   HG13  VAL 116          HG13      VAL 116  12.137   6.576  13.946
  315   HG21  VAL 116          HG21      VAL 116  13.227   6.205  16.197
  316   HG22  VAL 116          HG22      VAL 116  13.866   4.627  16.648
  317   HG23  VAL 116          HG23      VAL 116  14.668   5.567  15.396
  318    H    GLU 117           H        GLU 117  11.303   1.944  13.972
  319    HA   GLU 117           HA       GLU 117   9.500   2.816  11.876
  320    HB2  GLU 117           HB2      GLU 117  10.419   0.085  12.846
  321    HB3  GLU 117           HB3      GLU 117   9.226   0.286  11.551
  322    HG2  GLU 117           HG2      GLU 117  10.771   1.618  10.223
  323    HG3  GLU 117           HG3      GLU 117  11.976   1.591  11.505
  324    H    SER 118           H        SER 118   8.955   1.684  15.156
  325    HA   SER 118           HA       SER 118   6.061   1.306  14.806
  326    HB2  SER 118           HB2      SER 118   7.565   1.728  17.394
  327    HB3  SER 118           HB3      SER 118   5.903   1.170  17.153
  328    HG   SER 118           HG       SER 118   8.298  -0.168  16.360
  329    H    TRP 119           H        TRP 119   8.157   4.112  15.336
  330    HA   TRP 119           HA       TRP 119   5.994   5.914  16.113
  331    HB2  TRP 119           HB2      TRP 119   8.615   6.649  14.772
  332    HB3  TRP 119           HB3      TRP 119   7.528   7.704  15.634
  333    HD1  TRP 119           HD1      TRP 119   7.460   5.285  18.087
  334    HE1  TRP 119           HE1      TRP 119   9.326   5.471  19.834
  335    HE3  TRP 119           HE3      TRP 119  10.728   8.344  15.515
  336    HZ2  TRP 119           HZ2      TRP 119  11.925   6.631  20.038
  337    HZ3  TRP 119           HZ3      TRP 119  12.828   9.071  16.607
  338    HH2  TRP 119           HH2      TRP 119  13.465   8.208  18.833
  339    H    ALA 120           H        ALA 120   6.841   4.444  13.096
  340    HA   ALA 120           HA       ALA 120   6.280   6.558  11.321
  341    HB1  ALA 120           HB1      ALA 120   5.892   3.605  10.735
  342    HB2  ALA 120           HB2      ALA 120   6.215   4.905   9.577
  343    HB3  ALA 120           HB3      ALA 120   7.465   4.422  10.741
  344    H    THR 121           H        THR 121   4.503   7.293  10.266
  345    HA   THR 121           HA       THR 121   1.921   5.785  10.273
  346    HB   THR 121           HB       THR 121   0.901   8.209  10.249
  347    HG1  THR 121           HG1      THR 121   1.973   9.581  11.727
  348   HG21  THR 121          HG21      THR 121   0.442   8.075  12.635
  349   HG22  THR 121          HG22      THR 121   0.353   6.472  11.901
  350   HG23  THR 121          HG23      THR 121   1.787   6.927  12.859
  351    H    LEU 122           H        LEU 122   1.336   5.315   8.384
  352    HA   LEU 122           HA       LEU 122   2.333   6.502   5.942
  353    HB2  LEU 122           HB2      LEU 122   0.032   4.658   6.684
  354    HB3  LEU 122           HB3      LEU 122   0.339   5.127   5.011
  355    HG   LEU 122           HG       LEU 122   2.440   3.768   6.753
  356   HD11  LEU 122          HD11      LEU 122   1.845   1.678   5.557
  357   HD12  LEU 122          HD12      LEU 122   0.491   2.272   6.534
  358   HD13  LEU 122          HD13      LEU 122   0.483   2.512   4.772
  359   HD21  LEU 122          HD21      LEU 122   3.284   4.969   4.715
  360   HD22  LEU 122          HD22      LEU 122   3.461   3.213   4.566
  361   HD23  LEU 122          HD23      LEU 122   2.145   4.046   3.718
  362    H    LEU 123           H        LEU 123   1.602   8.226   4.823
  363    HA   LEU 123           HA       LEU 123  -0.803   9.686   5.825
  364    HB2  LEU 123           HB2      LEU 123   1.328  10.569   3.843
  365    HB3  LEU 123           HB3      LEU 123   0.059  11.565   4.536
  366    HG   LEU 123           HG       LEU 123   2.493  10.427   5.973
  367   HD11  LEU 123          HD11      LEU 123   2.752  12.492   4.600
  368   HD12  LEU 123          HD12      LEU 123   1.473  13.268   5.550
  369   HD13  LEU 123          HD13      LEU 123   2.990  12.785   6.333
  370   HD21  LEU 123          HD21      LEU 123   1.612  11.675   7.987
  371   HD22  LEU 123          HD22      LEU 123   0.063  11.876   7.145
  372   HD23  LEU 123          HD23      LEU 123   0.654  10.254   7.574
  373    H    GLY 124           H        GLY 124  -2.179  10.775   4.153
  374    HA2  GLY 124           HA2      GLY 124  -2.388   9.882   1.453
  375    HA3  GLY 124           HA3      GLY 124  -3.496   8.936   2.446
  376    H    HIS 125           H        HIS 125  -4.776  10.213   0.637
  377    HA   HIS 125           HA       HIS 125  -6.254  12.376   1.979
  378    HB2  HIS 125           HB2      HIS 125  -4.534  13.515   0.812
  379    HB3  HIS 125           HB3      HIS 125  -4.994  12.775  -0.731
  380    HD1  HIS 125           HD1      HIS 125  -8.247  13.487   0.329
  381    HD2  HIS 125           HD2      HIS 125  -4.896  15.896  -0.545
  382    HE1  HIS 125           HE1      HIS 125  -9.170  15.849  -0.241
  383    HE2  HIS 125           HE2      HIS 125  -7.108  17.307  -0.770
  Start of MODEL   15
    1    H    ALA  79           H1       ALA  79   2.936   0.816   1.005
    2    HA   ALA  79           HA       ALA  79   3.169   0.603  -1.937
    3    HB1  ALA  79           HB1      ALA  79   1.249   2.139  -2.063
    4    HB2  ALA  79           HB2      ALA  79   0.800   0.701  -1.149
    5    HB3  ALA  79           HB3      ALA  79   1.156   2.217  -0.288
    6    H    ARG  80           H        ARG  80   3.177   3.023  -2.836
    7    HA   ARG  80           HA       ARG  80   5.741   4.121  -1.976
    8    HB2  ARG  80           HB2      ARG  80   3.854   5.011  -4.162
    9    HB3  ARG  80           HB3      ARG  80   5.505   5.592  -3.863
   10    HG2  ARG  80           HG2      ARG  80   6.357   3.270  -4.055
   11    HG3  ARG  80           HG3      ARG  80   4.753   2.712  -4.543
   12    HD2  ARG  80           HD2      ARG  80   6.412   4.811  -6.010
   13    HD3  ARG  80           HD3      ARG  80   6.302   3.100  -6.457
   14    HE   ARG  80           HE       ARG  80   3.654   4.040  -6.369
   15   HH11  ARG  80          HH21      ARG  80   6.488   4.673  -8.335
   16   HH12  ARG  80          HH22      ARG  80   5.537   5.124  -9.722
   17   HH21  ARG  80          HH11      ARG  80   2.499   4.657  -8.173
   18   HH22  ARG  80          HH12      ARG  80   3.336   5.114  -9.625
   19    H    LYS  81           H        LYS  81   2.748   4.760  -0.704
   20    HA   LYS  81           HA       LYS  81   2.605   7.527  -0.255
   21    HB2  LYS  81           HB2      LYS  81   1.717   5.091   1.317
   22    HB3  LYS  81           HB3      LYS  81   1.655   6.675   2.076
   23    HG2  LYS  81           HG2      LYS  81  -0.498   6.103   1.147
   24    HG3  LYS  81           HG3      LYS  81   0.164   7.562   0.425
   25    HD2  LYS  81           HD2      LYS  81   0.761   6.322  -1.628
   26    HD3  LYS  81           HD3      LYS  81   0.140   4.816  -0.900
   27    HE2  LYS  81           HE2      LYS  81  -2.107   5.862  -0.670
   28    HE3  LYS  81           HE3      LYS  81  -1.493   7.358  -1.375
   29    HZ1  LYS  81           HZ1      LYS  81  -1.643   4.732  -2.788
   30    HZ2  LYS  81           HZ2      LYS  81  -2.631   6.000  -3.042
   31    HZ3  LYS  81           HZ3      LYS  81  -1.056   6.111  -3.450
   32    H    VAL  82           H        VAL  82   3.113   8.851   1.405
   33    HA   VAL  82           HA       VAL  82   5.858   8.763   2.376
   34    HB   VAL  82           HB       VAL  82   3.499  10.602   2.933
   35   HG11  VAL  82          HG11      VAL  82   4.968  10.868   4.846
   36   HG12  VAL  82          HG12      VAL  82   6.404  10.957   3.785
   37   HG13  VAL  82          HG13      VAL  82   5.183  12.243   3.773
   38   HG21  VAL  82          HG21      VAL  82   6.025  11.001   1.253
   39   HG22  VAL  82          HG22      VAL  82   4.414  10.645   0.594
   40   HG23  VAL  82          HG23      VAL  82   4.700  12.168   1.447
   41    H    LYS  83           H        LYS  83   6.652   8.229   4.317
   42    HA   LYS  83           HA       LYS  83   4.801   7.464   6.549
   43    HB2  LYS  83           HB2      LYS  83   7.659   6.643   5.914
   44    HB3  LYS  83           HB3      LYS  83   6.973   6.522   7.548
   45    HG2  LYS  83           HG2      LYS  83   5.144   5.105   6.720
   46    HG3  LYS  83           HG3      LYS  83   5.821   5.162   5.080
   47    HD2  LYS  83           HD2      LYS  83   7.807   3.983   5.772
   48    HD3  LYS  83           HD3      LYS  83   7.403   4.158   7.492
   49    HE2  LYS  83           HE2      LYS  83   5.432   2.732   7.239
   50    HE3  LYS  83           HE3      LYS  83   5.712   2.594   5.494
   51    HZ1  LYS  83           HZ1      LYS  83   7.582   1.573   7.585
   52    HZ2  LYS  83           HZ2      LYS  83   6.578   0.646   6.692
   53    HZ3  LYS  83           HZ3      LYS  83   7.806   1.435   5.967
   54    H    GLN  84           H        GLN  84   4.474   8.987   7.898
   55    HA   GLN  84           HA       GLN  84   6.385  11.192   8.468
   56    HB2  GLN  84           HB2      GLN  84   4.053  11.773   8.253
   57    HB3  GLN  84           HB3      GLN  84   3.556  10.450   9.290
   58    HG2  GLN  84           HG2      GLN  84   4.671  11.599  11.237
   59    HG3  GLN  84           HG3      GLN  84   5.057  12.954  10.160
   60   HE21  GLN  84          HE22      GLN  84   2.226  10.899  11.175
   61   HE22  GLN  84          HE21      GLN  84   1.111  12.266  11.257
   62    H    TYR  85           H        TYR  85   7.435  11.328  10.440
   63    HA   TYR  85           HA       TYR  85   7.108   9.135  12.448
   64    HB2  TYR  85           HB2      TYR  85   9.748  10.201  11.368
   65    HB3  TYR  85           HB3      TYR  85   9.588   9.180  12.773
   66    HD1  TYR  85           HD2      TYR  85   9.177   9.273   9.058
   67    HD2  TYR  85           HD1      TYR  85   9.505   6.823  12.594
   68    HE1  TYR  85           HE2      TYR  85   9.570   7.269   7.638
   69    HE2  TYR  85           HE1      TYR  85   9.941   4.833  11.181
   70    HH   TYR  85           HH       TYR  85  10.050   4.990   7.598
   71    H    LYS  86           H        LYS  86   7.513   9.809  14.578
   72    HA   LYS  86           HA       LYS  86   8.149  12.683  15.086
   73    HB2  LYS  86           HB2      LYS  86   5.693  12.354  15.200
   74    HB3  LYS  86           HB3      LYS  86   5.915  11.044  16.376
   75    HG2  LYS  86           HG2      LYS  86   6.826  12.601  18.024
   76    HG3  LYS  86           HG3      LYS  86   6.791  13.924  16.850
   77    HD2  LYS  86           HD2      LYS  86   4.314  13.738  16.716
   78    HD3  LYS  86           HD3      LYS  86   4.352  12.419  17.906
   79    HE2  LYS  86           HE2      LYS  86   5.401  13.945  19.566
   80    HE3  LYS  86           HE3      LYS  86   5.369  15.267  18.386
   81    HZ1  LYS  86           HZ1      LYS  86   3.456  15.378  19.900
   82    HZ2  LYS  86           HZ2      LYS  86   2.921  15.114  18.384
   83    HZ3  LYS  86           HZ3      LYS  86   2.952  13.891  19.469
   84    H    ASN  87           H        ASN  87   9.501  13.022  16.751
   85    HA   ASN  87           HA       ASN  87  10.456  10.633  18.306
   86    HB2  ASN  87           HB2      ASN  87  12.066  11.592  16.710
   87    HB3  ASN  87           HB3      ASN  87  12.049  13.109  17.604
   88   HD21  ASN  87          HD22      ASN  87  14.440  11.808  17.306
   89   HD22  ASN  87          HD21      ASN  87  14.907  11.063  18.829
   90    HA   PRO  88           HA       PRO  88   8.271  13.314  21.338
   91    HB2  PRO  88           HB2      PRO  88   7.826  11.375  23.274
   92    HB3  PRO  88           HB3      PRO  88   6.790  11.666  21.843
   93    HG2  PRO  88           HG2      PRO  88   9.002   9.618  22.153
   94    HG3  PRO  88           HG3      PRO  88   7.341   9.370  21.522
   95    HD2  PRO  88           HD2      PRO  88   9.417   9.702  19.853
   96    HD3  PRO  88           HD3      PRO  88   7.855  10.499  19.492
   97    H    HIS  89           H        HIS  89  11.274  11.599  21.662
   98    HA   HIS  89           HA       HIS  89  12.069  12.591  24.263
   99    HB2  HIS  89           HB2      HIS  89  13.869  11.770  21.941
  100    HB3  HIS  89           HB3      HIS  89  14.274  11.819  23.654
  101    HD1  HIS  89           HD1      HIS  89  12.724   9.565  21.080
  102    HD2  HIS  89           HD2      HIS  89  12.972   9.955  25.280
  103    HE1  HIS  89           HE1      HIS  89  11.892   7.311  22.097
  104    HE2  HIS  89           HE2      HIS  89  12.083   7.567  24.647
  105    H    THR  90           H        THR  90  12.077  14.040  21.061
  106    HA   THR  90           HA       THR  90  13.444  16.494  22.121
  107    HB   THR  90           HB       THR  90  14.297  16.855  19.888
  108    HG1  THR  90           HG1      THR  90  13.881  15.395  18.266
  109   HG21  THR  90          HG21      THR  90  15.600  15.289  21.384
  110   HG22  THR  90          HG22      THR  90  14.778  13.923  20.588
  111   HG23  THR  90          HG23      THR  90  15.843  14.996  19.651
  112    H    GLY  91           H        GLY  91  10.632  15.276  20.449
  113    HA2  GLY  91           HA2      GLY  91   8.567  16.438  20.278
  114    HA3  GLY  91           HA3      GLY  91   9.406  17.988  20.338
  115    H    GLU  92           H        GLU  92  11.266  16.206  18.247
  116    HA   GLU  92           HA       GLU  92  10.415  17.643  15.938
  117    HB2  GLU  92           HB2      GLU  92  12.447  15.526  16.583
  118    HB3  GLU  92           HB3      GLU  92  11.957  15.665  14.895
  119    HG2  GLU  92           HG2      GLU  92  12.489  17.849  14.670
  120    HG3  GLU  92           HG3      GLU  92  12.729  18.118  16.427
  121    H    VAL  93           H        VAL  93   9.571  17.072  14.016
  122    HA   VAL  93           HA       VAL  93   8.423  14.373  13.560
  123    HB   VAL  93           HB       VAL  93   7.239  17.041  12.776
  124   HG11  VAL  93          HG11      VAL  93   5.210  15.705  12.189
  125   HG12  VAL  93          HG12      VAL  93   6.594  15.220  11.212
  126   HG13  VAL  93          HG13      VAL  93   6.083  14.213  12.589
  127   HG21  VAL  93          HG21      VAL  93   6.334  15.186  14.983
  128   HG22  VAL  93          HG22      VAL  93   7.017  16.826  15.154
  129   HG23  VAL  93          HG23      VAL  93   5.428  16.606  14.398
  130    H    ILE  94           H        ILE  94   8.733  13.612  11.501
  131    HA   ILE  94           HA       ILE  94   9.804  15.335   9.354
  132    HB   ILE  94           HB       ILE  94  11.531  13.668   8.753
  133   HG12  ILE  94          HG12      ILE  94  10.926  12.396  11.441
  134   HG13  ILE  94          HG13      ILE  94  10.582  11.701   9.862
  135   HG21  ILE  94          HG21      ILE  94  13.209  14.435  10.290
  136   HG22  ILE  94          HG22      ILE  94  12.046  15.737  10.039
  137   HG23  ILE  94          HG23      ILE  94  11.999  14.790  11.539
  138   HD11  ILE  94          HD11      ILE  94  13.359  12.234  10.985
  139   HD12  ILE  94          HD12      ILE  94  12.562  10.673  10.793
  140   HD13  ILE  94          HD13      ILE  94  12.992  11.612   9.348
  141    H    GLU  95           H        GLU  95   9.813  14.221   7.312
  142    HA   GLU  95           HA       GLU  95   7.883  11.975   6.941
  143    HB2  GLU  95           HB2      GLU  95   7.763  14.761   5.702
  144    HB3  GLU  95           HB3      GLU  95   6.997  13.362   4.951
  145    HG2  GLU  95           HG2      GLU  95   5.502  13.053   6.811
  146    HG3  GLU  95           HG3      GLU  95   6.360  14.251   7.784
  147    H    THR  96           H        THR  96   8.466  10.571   5.410
  148    HA   THR  96           HA       THR  96  10.219  11.326   3.156
  149    HB   THR  96           HB       THR  96  11.922  10.794   4.712
  150    HG1  THR  96           HG1      THR  96  12.831   9.017   3.728
  151   HG21  THR  96          HG21      THR  96  12.043   8.641   5.944
  152   HG22  THR  96          HG22      THR  96  10.709   9.660   6.505
  153   HG23  THR  96          HG23      THR  96  10.377   8.271   5.440
  154    H    LYS  97           H        LYS  97  10.283   9.688   1.476
  155    HA   LYS  97           HA       LYS  97   7.873   7.923   1.380
  156    HB2  LYS  97           HB2      LYS  97   9.956   8.675  -0.711
  157    HB3  LYS  97           HB3      LYS  97   8.608   7.562  -0.990
  158    HG2  LYS  97           HG2      LYS  97   6.993   9.348  -0.352
  159    HG3  LYS  97           HG3      LYS  97   8.325  10.495  -0.196
  160    HD2  LYS  97           HD2      LYS  97   7.560   9.015  -2.756
  161    HD3  LYS  97           HD3      LYS  97   7.104  10.676  -2.352
  162    HE2  LYS  97           HE2      LYS  97   9.527  11.301  -2.232
  163    HE3  LYS  97           HE3      LYS  97   9.962   9.655  -2.711
  164    HZ1  LYS  97           HZ1      LYS  97   8.363  11.541  -4.370
  165    HZ2  LYS  97           HZ2      LYS  97   9.926  11.148  -4.623
  166    HZ3  LYS  97           HZ3      LYS  97   8.765  10.017  -4.811
  167    H    GLY  98           H        GLY  98  10.939   7.583   2.597
  168    HA2  GLY  98           HA2      GLY  98  11.395   5.420   3.640
  169    HA3  GLY  98           HA3      GLY  98  10.964   4.611   2.141
  170    H    GLY  99           H        GLY  99  12.765   7.351   1.314
  171    HA2  GLY  99           HA2      GLY  99  15.113   5.833   0.550
  172    HA3  GLY  99           HA3      GLY  99  14.861   7.562   0.361
  173    H    ASN 100           H        ASN 100  17.303   7.037   0.912
  174    HA   ASN 100           HA       ASN 100  18.065   6.754   3.673
  175    HB2  ASN 100           HB2      ASN 100  19.512   6.146   1.778
  176    HB3  ASN 100           HB3      ASN 100  19.579   7.832   1.263
  177   HD21  ASN 100          HD22      ASN 100  21.942   7.656   1.467
  178   HD22  ASN 100          HD21      ASN 100  22.661   7.767   3.067
  179    H    HIS 101           H        HIS 101  16.679   8.244   4.741
  180    HA   HIS 101           HA       HIS 101  17.272  11.161   4.491
  181    HB2  HIS 101           HB2      HIS 101  14.926  10.245   4.316
  182    HB3  HIS 101           HB3      HIS 101  15.026   9.743   6.004
  183    HD1  HIS 101           HD1      HIS 101  14.959  11.791   7.813
  184    HD2  HIS 101           HD2      HIS 101  14.645  12.838   3.747
  185    HE1  HIS 101           HE1      HIS 101  14.423  14.319   7.768
  186    HE2  HIS 101           HE2      HIS 101  14.159  14.929   5.266
  187    H    LYS 102           H        LYS 102  19.210  11.383   5.582
  188    HA   LYS 102           HA       LYS 102  20.302   9.981   7.619
  189    HB2  LYS 102           HB2      LYS 102  21.430  11.718   6.295
  190    HB3  LYS 102           HB3      LYS 102  20.557  12.984   7.150
  191    HG2  LYS 102           HG2      LYS 102  22.833  12.853   7.932
  192    HG3  LYS 102           HG3      LYS 102  21.744  12.428   9.247
  193    HD2  LYS 102           HD2      LYS 102  22.232  10.025   8.908
  194    HD3  LYS 102           HD3      LYS 102  23.277  10.404   7.534
  195    HE2  LYS 102           HE2      LYS 102  23.730  11.392  10.395
  196    HE3  LYS 102           HE3      LYS 102  24.449   9.922   9.735
  197    HZ1  LYS 102           HZ1      LYS 102  24.954  12.679   8.705
  198    HZ2  LYS 102           HZ2      LYS 102  26.002  11.764   9.548
  199    HZ3  LYS 102           HZ3      LYS 102  25.569  11.313   8.041
  200    H    THR 103           H        THR 103  18.135  12.750   8.374
  201    HA   THR 103           HA       THR 103  18.369  12.668  11.177
  202    HB   THR 103           HB       THR 103  15.724  13.157   9.757
  203    HG1  THR 103           HG1      THR 103  17.819  15.052   9.967
  204   HG21  THR 103          HG21      THR 103  17.007  14.489  12.170
  205   HG22  THR 103          HG22      THR 103  15.484  14.984  11.396
  206   HG23  THR 103          HG23      THR 103  15.603  13.400  12.175
  207    H    LEU 104           H        LEU 104  16.479  10.480   9.113
  208    HA   LEU 104           HA       LEU 104  15.004   9.251  11.347
  209    HB2  LEU 104           HB2      LEU 104  14.104   9.361   8.990
  210    HB3  LEU 104           HB3      LEU 104  15.451   8.362   8.441
  211    HG   LEU 104           HG       LEU 104  14.655   6.511   9.939
  212   HD11  LEU 104          HD11      LEU 104  12.360   6.607  10.804
  213   HD12  LEU 104          HD12      LEU 104  13.356   7.822  11.601
  214   HD13  LEU 104          HD13      LEU 104  12.219   8.302  10.320
  215   HD21  LEU 104          HD21      LEU 104  12.564   7.530   7.984
  216   HD22  LEU 104          HD22      LEU 104  14.030   6.625   7.536
  217   HD23  LEU 104          HD23      LEU 104  12.783   5.856   8.532
  218    H    LYS 105           H        LYS 105  17.832   8.448   9.247
  219    HA   LYS 105           HA       LYS 105  18.534   5.994  10.445
  220    HB2  LYS 105           HB2      LYS 105  19.487   7.224   8.345
  221    HB3  LYS 105           HB3      LYS 105  20.604   8.000   9.508
  222    HG2  LYS 105           HG2      LYS 105  21.388   5.771  10.229
  223    HG3  LYS 105           HG3      LYS 105  20.243   4.999   9.112
  224    HD2  LYS 105           HD2      LYS 105  21.400   6.070   7.194
  225    HD3  LYS 105           HD3      LYS 105  22.565   6.816   8.317
  226    HE2  LYS 105           HE2      LYS 105  23.250   4.556   9.097
  227    HE3  LYS 105           HE3      LYS 105  22.095   3.815   7.986
  228    HZ1  LYS 105           HZ1      LYS 105  23.361   4.797   6.125
  229    HZ2  LYS 105           HZ2      LYS 105  24.435   5.466   7.162
  230    HZ3  LYS 105           HZ3      LYS 105  24.329   3.847   7.027
  231    H    GLU 106           H        GLU 106  19.578   9.283  11.363
  232    HA   GLU 106           HA       GLU 106  21.130   8.565  13.587
  233    HB2  GLU 106           HB2      GLU 106  19.491  11.008  12.864
  234    HB3  GLU 106           HB3      GLU 106  20.123  10.874  14.501
  235    HG2  GLU 106           HG2      GLU 106  22.397  10.499  13.594
  236    HG3  GLU 106           HG3      GLU 106  21.757  10.742  11.951
  237    H    TRP 107           H        TRP 107  17.597   9.105  13.461
  238    HA   TRP 107           HA       TRP 107  17.202   8.588  16.257
  239    HB2  TRP 107           HB2      TRP 107  15.242   8.350  13.948
  240    HB3  TRP 107           HB3      TRP 107  14.817   8.273  15.642
  241    HD1  TRP 107           HD1      TRP 107  17.274  10.903  15.631
  242    HE1  TRP 107           HE1      TRP 107  16.265  13.237  15.398
  243    HE3  TRP 107           HE3      TRP 107  12.567   9.614  14.026
  244    HZ2  TRP 107           HZ2      TRP 107  13.815  14.404  14.553
  245    HZ3  TRP 107           HZ3      TRP 107  10.885  11.397  13.585
  246    HH2  TRP 107           HH2      TRP 107  11.511  13.805  13.822
  247    H    LYS 108           H        LYS 108  17.136   6.376  13.445
  248    HA   LYS 108           HA       LYS 108  16.361   4.000  14.930
  249    HB2  LYS 108           HB2      LYS 108  18.047   4.254  12.384
  250    HB3  LYS 108           HB3      LYS 108  17.342   2.744  13.019
  251    HG2  LYS 108           HG2      LYS 108  15.058   3.746  12.779
  252    HG3  LYS 108           HG3      LYS 108  15.767   5.173  12.075
  253    HD2  LYS 108           HD2      LYS 108  15.485   4.209  10.068
  254    HD3  LYS 108           HD3      LYS 108  16.881   3.195  10.469
  255    HE2  LYS 108           HE2      LYS 108  15.284   1.572  11.562
  256    HE3  LYS 108           HE3      LYS 108  13.934   2.583  11.033
  257    HZ1  LYS 108           HZ1      LYS 108  14.259   0.758   9.507
  258    HZ2  LYS 108           HZ2      LYS 108  14.631   2.136   8.704
  259    HZ3  LYS 108           HZ3      LYS 108  15.831   1.142   9.224
  260    H    ALA 109           H        ALA 109  19.515   5.492  14.299
  261    HA   ALA 109           HA       ALA 109  21.082   3.454  15.611
  262    HB1  ALA 109           HB1      ALA 109  21.685   6.393  15.069
  263    HB2  ALA 109           HB2      ALA 109  22.872   5.134  15.469
  264    HB3  ALA 109           HB3      ALA 109  21.972   5.048  13.939
  265    H    LYS 110           H        LYS 110  19.582   6.458  16.769
  266    HA   LYS 110           HA       LYS 110  20.819   6.150  19.439
  267    HB2  LYS 110           HB2      LYS 110  19.359   8.448  18.099
  268    HB3  LYS 110           HB3      LYS 110  19.873   8.476  19.787
  269    HG2  LYS 110           HG2      LYS 110  22.199   7.977  19.125
  270    HG3  LYS 110           HG3      LYS 110  21.756   7.997  17.424
  271    HD2  LYS 110           HD2      LYS 110  21.344  10.410  19.239
  272    HD3  LYS 110           HD3      LYS 110  22.882  10.062  18.444
  273    HE2  LYS 110           HE2      LYS 110  21.758  10.082  16.216
  274    HE3  LYS 110           HE3      LYS 110  20.234  10.532  17.009
  275    HZ1  LYS 110           HZ1      LYS 110  22.733  12.149  17.215
  276    HZ2  LYS 110           HZ2      LYS 110  21.585  12.463  16.105
  277    HZ3  LYS 110           HZ3      LYS 110  21.246  12.611  17.715
  278    H    TRP 111           H        TRP 111  17.629   5.549  18.216
  279    HA   TRP 111           HA       TRP 111  16.816   4.851  21.021
  280    HB2  TRP 111           HB2      TRP 111  15.167   6.209  18.866
  281    HB3  TRP 111           HB3      TRP 111  14.472   5.477  20.303
  282    HD1  TRP 111           HD1      TRP 111  15.134   6.498  22.706
  283    HE1  TRP 111           HE1      TRP 111  15.829   8.850  23.444
  284    HE3  TRP 111           HE3      TRP 111  16.380   8.403  18.160
  285    HZ2  TRP 111           HZ2      TRP 111  16.850  11.266  22.200
  286    HZ3  TRP 111           HZ3      TRP 111  17.302  10.724  17.956
  287    HH2  TRP 111           HH2      TRP 111  17.509  12.161  19.970
  288    H    GLY 112           H        GLY 112  17.357   3.533  17.967
  289    HA2  GLY 112           HA2      GLY 112  17.401   1.176  17.766
  290    HA3  GLY 112           HA3      GLY 112  15.962   1.003  18.752
  291    HA   PRO 113           HA       PRO 113  15.092   1.830  14.037
  292    HB2  PRO 113           HB2      PRO 113  15.378  -0.698  12.842
  293    HB3  PRO 113           HB3      PRO 113  16.574   0.627  12.802
  294    HG2  PRO 113           HG2      PRO 113  16.499  -1.757  14.621
  295    HG3  PRO 113           HG3      PRO 113  17.911  -0.941  13.823
  296    HD2  PRO 113           HD2      PRO 113  17.293  -0.581  16.436
  297    HD3  PRO 113           HD3      PRO 113  17.973   0.728  15.413
  298    H    GLU 114           H        GLU 114  14.272  -1.119  15.931
  299    HA   GLU 114           HA       GLU 114  11.720  -1.515  14.703
  300    HB2  GLU 114           HB2      GLU 114  12.832  -2.342  17.410
  301    HB3  GLU 114           HB3      GLU 114  11.275  -2.894  16.777
  302    HG2  GLU 114           HG2      GLU 114  12.437  -3.867  14.791
  303    HG3  GLU 114           HG3      GLU 114  13.988  -3.396  15.481
  304    H    ALA 115           H        ALA 115  12.748   0.323  17.550
  305    HA   ALA 115           HA       ALA 115  10.122   1.150  18.436
  306    HB1  ALA 115           HB1      ALA 115  11.404   2.870  19.692
  307    HB2  ALA 115           HB2      ALA 115  12.119   1.252  19.877
  308    HB3  ALA 115           HB3      ALA 115  12.867   2.438  18.789
  309    H    VAL 116           H        VAL 116  12.600   2.769  16.377
  310    HA   VAL 116           HA       VAL 116  11.007   5.054  15.754
  311    HB   VAL 116           HB       VAL 116  13.326   3.769  14.291
  312   HG11  VAL 116          HG11      VAL 116  12.144   5.232  12.699
  313   HG12  VAL 116          HG12      VAL 116  12.084   6.534  13.907
  314   HG13  VAL 116          HG13      VAL 116  13.641   6.010  13.228
  315   HG21  VAL 116          HG21      VAL 116  13.221   6.222  16.098
  316   HG22  VAL 116          HG22      VAL 116  13.775   4.642  16.643
  317   HG23  VAL 116          HG23      VAL 116  14.647   5.482  15.368
  318    H    GLU 117           H        GLU 117  11.274   1.908  13.973
  319    HA   GLU 117           HA       GLU 117   9.449   2.754  11.881
  320    HB2  GLU 117           HB2      GLU 117  10.380   0.034  12.875
  321    HB3  GLU 117           HB3      GLU 117   9.180   0.222  11.583
  322    HG2  GLU 117           HG2      GLU 117  10.712   1.540  10.234
  323    HG3  GLU 117           HG3      GLU 117  11.924   1.538  11.509
  324    H    SER 118           H        SER 118   8.929   1.665  15.174
  325    HA   SER 118           HA       SER 118   6.031   1.275  14.844
  326    HB2  SER 118           HB2      SER 118   7.543   1.706  17.420
  327    HB3  SER 118           HB3      SER 118   5.882   1.149  17.195
  328    HG   SER 118           HG       SER 118   8.264  -0.197  16.391
  329    H    TRP 119           H        TRP 119   8.143   4.082  15.370
  330    HA   TRP 119           HA       TRP 119   5.988   5.894  16.136
  331    HB2  TRP 119           HB2      TRP 119   8.605   6.632  14.786
  332    HB3  TRP 119           HB3      TRP 119   7.526   7.678  15.671
  333    HD1  TRP 119           HD1      TRP 119   7.542   5.214  18.107
  334    HE1  TRP 119           HE1      TRP 119   9.451   5.393  19.799
  335    HE3  TRP 119           HE3      TRP 119  10.674   8.350  15.493
  336    HZ2  TRP 119           HZ2      TRP 119  12.070   6.584  19.930
  337    HZ3  TRP 119           HZ3      TRP 119  12.797   9.110  16.521
  338    HH2  TRP 119           HH2      TRP 119  13.525   8.216  18.717
  339    H    ALA 120           H        ALA 120   6.879   4.436  13.109
  340    HA   ALA 120           HA       ALA 120   6.332   6.532  11.330
  341    HB1  ALA 120           HB1      ALA 120   7.472   4.355  10.776
  342    HB2  ALA 120           HB2      ALA 120   5.877   3.575  10.768
  343    HB3  ALA 120           HB3      ALA 120   6.247   4.859   9.593
  344    H    THR 121           H        THR 121   4.568   7.263  10.227
  345    HA   THR 121           HA       THR 121   1.940   5.853  10.340
  346    HB   THR 121           HB       THR 121   0.961   8.283  10.325
  347    HG1  THR 121           HG1      THR 121   3.359   8.693  11.796
  348   HG21  THR 121          HG21      THR 121   0.711   8.313  12.749
  349   HG22  THR 121          HG22      THR 121   0.467   6.685  12.098
  350   HG23  THR 121          HG23      THR 121   1.993   7.090  12.922
  351    H    LEU 122           H        LEU 122   1.266   5.401   8.457
  352    HA   LEU 122           HA       LEU 122   2.338   6.554   6.012
  353    HB2  LEU 122           HB2      LEU 122   0.117   4.609   6.736
  354    HB3  LEU 122           HB3      LEU 122   0.401   5.099   5.064
  355    HG   LEU 122           HG       LEU 122   2.577   3.865   6.810
  356   HD11  LEU 122          HD11      LEU 122   2.102   1.735   5.640
  357   HD12  LEU 122          HD12      LEU 122   0.714   2.264   6.597
  358   HD13  LEU 122          HD13      LEU 122   0.709   2.485   4.833
  359   HD21  LEU 122          HD21      LEU 122   3.619   3.351   4.604
  360   HD22  LEU 122          HD22      LEU 122   2.258   4.139   3.776
  361   HD23  LEU 122          HD23      LEU 122   3.368   5.094   4.777
  362    H    LEU 123           H        LEU 123   1.750   8.428   5.151
  363    HA   LEU 123           HA       LEU 123  -0.733   9.800   5.971
  364    HB2  LEU 123           HB2      LEU 123   1.360  10.570   3.892
  365    HB3  LEU 123           HB3      LEU 123   0.102  11.612   4.541
  366    HG   LEU 123           HG       LEU 123   2.550  10.558   6.017
  367   HD11  LEU 123          HD11      LEU 123   1.554  13.378   5.446
  368   HD12  LEU 123          HD12      LEU 123   3.079  12.915   6.230
  369   HD13  LEU 123          HD13      LEU 123   2.812  12.535   4.523
  370   HD21  LEU 123          HD21      LEU 123   0.141  12.081   7.122
  371   HD22  LEU 123          HD22      LEU 123   0.753  10.494   7.659
  372   HD23  LEU 123          HD23      LEU 123   1.700  11.951   7.951
  373    H    GLY 124           H        GLY 124  -2.059  10.848   4.127
  374    HA2  GLY 124           HA2      GLY 124  -3.243   8.760   2.495
  375    HA3  GLY 124           HA3      GLY 124  -3.730  10.450   2.587
  376    H    HIS 125           H        HIS 125  -0.447  10.328   1.807
  377    HA   HIS 125           HA       HIS 125  -0.790  10.348  -1.142
  378    HB2  HIS 125           HB2      HIS 125   0.529  12.614   0.343
  379    HB3  HIS 125           HB3      HIS 125   0.248  12.431  -1.390
  380    HD1  HIS 125           HD1      HIS 125  -2.535  12.403  -2.062
  381    HD2  HIS 125           HD2      HIS 125  -1.268  14.019   1.630
  382    HE1  HIS 125           HE1      HIS 125  -4.473  13.880  -1.208
  383    HE2  HIS 125           HE2      HIS 125  -3.682  14.873   1.039
  Start of MODEL   16
    1    H    ALA  79           H1       ALA  79   3.515   0.553  -0.960
    2    HA   ALA  79           HA       ALA  79   4.446   1.070  -3.713
    3    HB1  ALA  79           HB1      ALA  79   2.547   2.640  -3.931
    4    HB2  ALA  79           HB2      ALA  79   1.966   1.004  -3.612
    5    HB3  ALA  79           HB3      ALA  79   1.979   2.214  -2.306
    6    H    ARG  80           H        ARG  80   4.715   3.559  -4.016
    7    HA   ARG  80           HA       ARG  80   6.794   4.451  -2.181
    8    HB2  ARG  80           HB2      ARG  80   5.710   5.700  -4.689
    9    HB3  ARG  80           HB3      ARG  80   7.116   6.236  -3.733
   10    HG2  ARG  80           HG2      ARG  80   8.128   3.946  -3.989
   11    HG3  ARG  80           HG3      ARG  80   6.801   3.528  -5.082
   12    HD2  ARG  80           HD2      ARG  80   8.593   4.153  -6.468
   13    HD3  ARG  80           HD3      ARG  80   7.439   5.508  -6.492
   14    HE   ARG  80           HE       ARG  80   9.497   5.859  -4.465
   15   HH11  ARG  80          HH11      ARG  80   9.062   6.180  -7.932
   16   HH12  ARG  80          HH12      ARG  80  10.339   7.355  -8.072
   17   HH21  ARG  80          HH21      ARG  80  11.120   7.354  -4.719
   18   HH22  ARG  80          HH22      ARG  80  11.473   8.000  -6.294
   19    H    LYS  81           H        LYS  81   4.317   4.385  -0.797
   20    HA   LYS  81           HA       LYS  81   3.092   7.019  -0.462
   21    HB2  LYS  81           HB2      LYS  81   3.117   4.438   1.177
   22    HB3  LYS  81           HB3      LYS  81   2.280   5.906   1.724
   23    HG2  LYS  81           HG2      LYS  81   0.837   5.900  -0.236
   24    HG3  LYS  81           HG3      LYS  81   1.703   4.518  -0.930
   25    HD2  LYS  81           HD2      LYS  81   1.011   3.077   0.925
   26    HD3  LYS  81           HD3      LYS  81   0.240   4.450   1.749
   27    HE2  LYS  81           HE2      LYS  81  -1.376   4.714  -0.062
   28    HE3  LYS  81           HE3      LYS  81  -0.595   3.447  -1.012
   29    HZ1  LYS  81           HZ1      LYS  81  -1.773   2.920   1.679
   30    HZ2  LYS  81           HZ2      LYS  81  -2.619   2.724   0.293
   31    HZ3  LYS  81           HZ3      LYS  81  -1.285   1.807   0.581
   32    H    VAL  82           H        VAL  82   3.230   8.369   1.289
   33    HA   VAL  82           HA       VAL  82   5.964   8.804   2.352
   34    HB   VAL  82           HB       VAL  82   3.385  10.385   2.678
   35   HG11  VAL  82          HG11      VAL  82   4.903  12.222   3.506
   36   HG12  VAL  82          HG12      VAL  82   4.770  10.865   4.628
   37   HG13  VAL  82          HG13      VAL  82   6.221  11.043   3.604
   38   HG21  VAL  82          HG21      VAL  82   4.459  11.987   1.157
   39   HG22  VAL  82          HG22      VAL  82   5.900  10.953   1.044
   40   HG23  VAL  82          HG23      VAL  82   4.346  10.404   0.376
   41    H    LYS  83           H        LYS  83   6.635   8.381   4.352
   42    HA   LYS  83           HA       LYS  83   4.691   7.574   6.490
   43    HB2  LYS  83           HB2      LYS  83   7.577   6.744   5.972
   44    HB3  LYS  83           HB3      LYS  83   6.825   6.614   7.574
   45    HG2  LYS  83           HG2      LYS  83   5.064   5.172   6.711
   46    HG3  LYS  83           HG3      LYS  83   5.755   5.254   5.075
   47    HD2  LYS  83           HD2      LYS  83   7.766   4.125   5.765
   48    HD3  LYS  83           HD3      LYS  83   7.351   4.264   7.487
   49    HE2  LYS  83           HE2      LYS  83   5.433   2.773   7.208
   50    HE3  LYS  83           HE3      LYS  83   5.720   2.673   5.457
   51    HZ1  LYS  83           HZ1      LYS  83   7.614   1.679   7.546
   52    HZ2  LYS  83           HZ2      LYS  83   6.650   0.740   6.620
   53    HZ3  LYS  83           HZ3      LYS  83   7.861   1.587   5.928
   54    H    GLN  84           H        GLN  84   4.410   9.029   7.957
   55    HA   GLN  84           HA       GLN  84   6.365  11.200   8.499
   56    HB2  GLN  84           HB2      GLN  84   3.925  11.682   8.292
   57    HB3  GLN  84           HB3      GLN  84   3.596  10.601   9.633
   58    HG2  GLN  84           HG2      GLN  84   4.923  12.079  11.136
   59    HG3  GLN  84           HG3      GLN  84   5.278  13.146   9.776
   60   HE21  GLN  84          HE22      GLN  84   3.452  14.478   8.864
   61   HE22  GLN  84          HE21      GLN  84   2.015  14.673   9.862
   62    H    TYR  85           H        TYR  85   7.372  11.347  10.507
   63    HA   TYR  85           HA       TYR  85   7.047   9.133  12.491
   64    HB2  TYR  85           HB2      TYR  85   9.691  10.236  11.441
   65    HB3  TYR  85           HB3      TYR  85   9.524   9.200  12.832
   66    HD1  TYR  85           HD1      TYR  85   9.079   9.302   9.111
   67    HD2  TYR  85           HD2      TYR  85   9.560   6.859  12.631
   68    HE1  TYR  85           HE1      TYR  85   9.497   7.321   7.675
   69    HE2  TYR  85           HE2      TYR  85  10.012   4.881  11.196
   70    HH   TYR  85           HH       TYR  85  10.016   5.060   7.612
   71    H    LYS  86           H        LYS  86   7.399   9.817  14.619
   72    HA   LYS  86           HA       LYS  86   8.033  12.691  15.127
   73    HB2  LYS  86           HB2      LYS  86   5.581  12.346  15.236
   74    HB3  LYS  86           HB3      LYS  86   5.816  11.038  16.418
   75    HG2  LYS  86           HG2      LYS  86   6.707  12.623  18.061
   76    HG3  LYS  86           HG3      LYS  86   6.634  13.939  16.878
   77    HD2  LYS  86           HD2      LYS  86   4.166  13.690  16.753
   78    HD3  LYS  86           HD3      LYS  86   4.239  12.377  17.951
   79    HE2  LYS  86           HE2      LYS  86   5.246  13.948  19.599
   80    HE3  LYS  86           HE3      LYS  86   5.182  15.252  18.407
   81    HZ1  LYS  86           HZ1      LYS  86   3.265  15.342  19.907
   82    HZ2  LYS  86           HZ2      LYS  86   2.739  15.032  18.396
   83    HZ3  LYS  86           HZ3      LYS  86   2.796  13.835  19.510
   84    H    ASN  87           H        ASN  87   9.275  13.073  16.909
   85    HA   ASN  87           HA       ASN  87  10.364  10.659  18.342
   86    HB2  ASN  87           HB2      ASN  87  11.866  11.645  16.677
   87    HB3  ASN  87           HB3      ASN  87  11.850  13.180  17.544
   88   HD21  ASN  87          HD22      ASN  87  14.272  12.155  17.182
   89   HD22  ASN  87          HD21      ASN  87  14.862  11.357  18.633
   90    HA   PRO  88           HA       PRO  88   8.293  12.951  21.772
   91    HB2  PRO  88           HB2      PRO  88   9.202  10.318  22.973
   92    HB3  PRO  88           HB3      PRO  88   7.716  11.255  23.325
   93    HG2  PRO  88           HG2      PRO  88   7.621   9.139  21.634
   94    HG3  PRO  88           HG3      PRO  88   6.749  10.655  21.221
   95    HD2  PRO  88           HD2      PRO  88   9.368   9.627  20.150
   96    HD3  PRO  88           HD3      PRO  88   8.044  10.498  19.313
   97    H    HIS  89           H        HIS  89  11.578  11.614  21.625
   98    HA   HIS  89           HA       HIS  89  12.539  12.644  24.133
   99    HB2  HIS  89           HB2      HIS  89  14.128  12.057  21.598
  100    HB3  HIS  89           HB3      HIS  89  14.768  12.192  23.230
  101    HD1  HIS  89           HD1      HIS  89  13.131   9.715  20.927
  102    HD2  HIS  89           HD2      HIS  89  13.950  10.220  25.043
  103    HE1  HIS  89           HE1      HIS  89  12.791   7.385  22.048
  104    HE2  HIS  89           HE2      HIS  89  13.308   7.717  24.549
  105    H    THR  90           H        THR  90  12.190  14.192  20.989
  106    HA   THR  90           HA       THR  90  13.278  16.760  22.108
  107    HB   THR  90           HB       THR  90  14.084  17.270  19.880
  108    HG1  THR  90           HG1      THR  90  13.862  15.871  18.237
  109   HG21  THR  90          HG21      THR  90  14.908  14.405  20.532
  110   HG22  THR  90          HG22      THR  90  15.840  15.608  19.612
  111   HG23  THR  90          HG23      THR  90  15.565  15.846  21.349
  112    H    GLY  91           H        GLY  91  10.536  15.273  20.603
  113    HA2  GLY  91           HA2      GLY  91   8.405  16.218  20.293
  114    HA3  GLY  91           HA3      GLY  91   9.081  17.846  20.412
  115    H    GLU  92           H        GLU  92  11.115  16.177  18.329
  116    HA   GLU  92           HA       GLU  92  10.320  17.610  16.009
  117    HB2  GLU  92           HB2      GLU  92  12.276  15.422  16.668
  118    HB3  GLU  92           HB3      GLU  92  11.836  15.607  14.980
  119    HG2  GLU  92           HG2      GLU  92  12.513  17.718  14.757
  120    HG3  GLU  92           HG3      GLU  92  12.573  18.064  16.510
  121    H    VAL  93           H        VAL  93   9.522  17.051  14.059
  122    HA   VAL  93           HA       VAL  93   8.380  14.362  13.574
  123    HB   VAL  93           HB       VAL  93   7.211  17.037  12.782
  124   HG11  VAL  93          HG11      VAL  93   6.079  14.216  12.481
  125   HG12  VAL  93          HG12      VAL  93   5.207  15.713  12.092
  126   HG13  VAL  93          HG13      VAL  93   6.625  15.259  11.146
  127   HG21  VAL  93          HG21      VAL  93   5.362  16.552  14.332
  128   HG22  VAL  93          HG22      VAL  93   6.252  15.121  14.909
  129   HG23  VAL  93          HG23      VAL  93   6.929  16.762  15.135
  130    H    ILE  94           H        ILE  94   8.713  13.599  11.517
  131    HA   ILE  94           HA       ILE  94   9.811  15.309   9.385
  132    HB   ILE  94           HB       ILE  94  11.534  13.626   8.787
  133   HG12  ILE  94          HG12      ILE  94  10.916  12.388  11.496
  134   HG13  ILE  94          HG13      ILE  94  10.580  11.670   9.925
  135   HG21  ILE  94          HG21      ILE  94  12.063  15.701  10.030
  136   HG22  ILE  94          HG22      ILE  94  12.001  14.787  11.555
  137   HG23  ILE  94          HG23      ILE  94  13.217  14.397  10.320
  138   HD11  ILE  94          HD11      ILE  94  13.349  12.213  11.057
  139   HD12  ILE  94          HD12      ILE  94  12.545  10.652  10.885
  140   HD13  ILE  94          HD13      ILE  94  12.990  11.563   9.428
  141    H    GLU  95           H        GLU  95   9.757  14.260   7.338
  142    HA   GLU  95           HA       GLU  95   7.934  11.933   6.985
  143    HB2  GLU  95           HB2      GLU  95   7.590  14.719   5.815
  144    HB3  GLU  95           HB3      GLU  95   6.908  13.281   5.030
  145    HG2  GLU  95           HG2      GLU  95   5.547  12.762   6.929
  146    HG3  GLU  95           HG3      GLU  95   6.327  14.001   7.915
  147    H    THR  96           H        THR  96   8.496  10.589   5.412
  148    HA   THR  96           HA       THR  96  10.189  11.386   3.128
  149    HB   THR  96           HB       THR  96  11.938  10.884   4.640
  150    HG1  THR  96           HG1      THR  96  12.868   9.172   3.606
  151   HG21  THR  96          HG21      THR  96  12.143   8.724   5.854
  152   HG22  THR  96          HG22      THR  96  10.812   9.715   6.469
  153   HG23  THR  96          HG23      THR  96  10.466   8.324   5.408
  154    H    LYS  97           H        LYS  97  10.301   9.682   1.471
  155    HA   LYS  97           HA       LYS  97   7.908   7.885   1.421
  156    HB2  LYS  97           HB2      LYS  97   9.912   8.713  -0.725
  157    HB3  LYS  97           HB3      LYS  97   8.623   7.524  -0.971
  158    HG2  LYS  97           HG2      LYS  97   6.914   9.200  -0.382
  159    HG3  LYS  97           HG3      LYS  97   8.177  10.424  -0.163
  160    HD2  LYS  97           HD2      LYS  97   8.845  10.160  -2.540
  161    HD3  LYS  97           HD3      LYS  97   7.574   8.929  -2.758
  162    HE2  LYS  97           HE2      LYS  97   5.845  10.600  -2.140
  163    HE3  LYS  97           HE3      LYS  97   7.098  11.822  -1.900
  164    HZ1  LYS  97           HZ1      LYS  97   6.500  10.500  -4.507
  165    HZ2  LYS  97           HZ2      LYS  97   6.085  12.026  -4.108
  166    HZ3  LYS  97           HZ3      LYS  97   7.658  11.630  -4.277
  167    H    GLY  98           H        GLY  98  10.948   7.606   2.649
  168    HA2  GLY  98           HA2      GLY  98  11.491   5.481   3.685
  169    HA3  GLY  98           HA3      GLY  98  10.983   4.631   2.230
  170    H    GLY  99           H        GLY  99  12.793   7.385   1.350
  171    HA2  GLY  99           HA2      GLY  99  15.095   5.837   0.473
  172    HA3  GLY  99           HA3      GLY  99  14.861   7.575   0.321
  173    H    ASN 100           H        ASN 100  17.315   7.018   0.821
  174    HA   ASN 100           HA       ASN 100  18.126   6.693   3.563
  175    HB2  ASN 100           HB2      ASN 100  19.544   6.113   1.631
  176    HB3  ASN 100           HB3      ASN 100  19.605   7.810   1.145
  177   HD21  ASN 100          HD22      ASN 100  21.962   7.661   1.316
  178   HD22  ASN 100          HD21      ASN 100  22.709   7.726   2.902
  179    H    HIS 101           H        HIS 101  16.761   8.150   4.684
  180    HA   HIS 101           HA       HIS 101  17.341  11.073   4.454
  181    HB2  HIS 101           HB2      HIS 101  15.003  10.139   4.269
  182    HB3  HIS 101           HB3      HIS 101  15.102   9.628   5.950
  183    HD1  HIS 101           HD1      HIS 101  14.838  11.630   7.764
  184    HD2  HIS 101           HD2      HIS 101  14.802  12.755   3.705
  185    HE1  HIS 101           HE1      HIS 101  14.272  14.154   7.725
  186    HE2  HIS 101           HE2      HIS 101  14.189  14.807   5.227
  187    H    LYS 102           H        LYS 102  19.283  11.289   5.523
  188    HA   LYS 102           HA       LYS 102  20.389   9.857   7.543
  189    HB2  LYS 102           HB2      LYS 102  21.524  11.571   6.199
  190    HB3  LYS 102           HB3      LYS 102  20.683  12.851   7.053
  191    HG2  LYS 102           HG2      LYS 102  22.961  12.688   7.811
  192    HG3  LYS 102           HG3      LYS 102  21.873  12.294   9.136
  193    HD2  LYS 102           HD2      LYS 102  22.320   9.880   8.820
  194    HD3  LYS 102           HD3      LYS 102  23.372  10.230   7.443
  195    HE2  LYS 102           HE2      LYS 102  23.820  11.248  10.294
  196    HE3  LYS 102           HE3      LYS 102  24.514   9.752   9.664
  197    HZ1  LYS 102           HZ1      LYS 102  25.088  12.478   8.591
  198    HZ2  LYS 102           HZ2      LYS 102  26.107  11.558   9.462
  199    HZ3  LYS 102           HZ3      LYS 102  25.683  11.083   7.964
  200    H    THR 103           H        THR 103  18.304  12.686   8.284
  201    HA   THR 103           HA       THR 103  18.537  12.621  11.084
  202    HB   THR 103           HB       THR 103  15.998  13.259   9.517
  203    HG1  THR 103           HG1      THR 103  16.914  15.375   9.469
  204   HG21  THR 103          HG21      THR 103  15.610  13.277  11.945
  205   HG22  THR 103          HG22      THR 103  17.030  14.321  12.186
  206   HG23  THR 103          HG23      THR 103  15.600  14.920  11.305
  207    H    LEU 104           H        LEU 104  16.542  10.476   9.060
  208    HA   LEU 104           HA       LEU 104  15.069   9.297  11.334
  209    HB2  LEU 104           HB2      LEU 104  14.124   9.391   9.005
  210    HB3  LEU 104           HB3      LEU 104  15.457   8.385   8.429
  211    HG   LEU 104           HG       LEU 104  14.674   6.532   9.914
  212   HD11  LEU 104          HD11      LEU 104  13.432   7.852  11.620
  213   HD12  LEU 104          HD12      LEU 104  12.258   8.334  10.375
  214   HD13  LEU 104          HD13      LEU 104  12.410   6.639  10.853
  215   HD21  LEU 104          HD21      LEU 104  12.758   5.911   8.550
  216   HD22  LEU 104          HD22      LEU 104  12.539   7.598   8.028
  217   HD23  LEU 104          HD23      LEU 104  13.985   6.681   7.529
  218    H    LYS 105           H        LYS 105  17.859   8.416   9.211
  219    HA   LYS 105           HA       LYS 105  18.514   5.955  10.421
  220    HB2  LYS 105           HB2      LYS 105  19.476   7.166   8.307
  221    HB3  LYS 105           HB3      LYS 105  20.627   7.902   9.463
  222    HG2  LYS 105           HG2      LYS 105  21.353   5.648  10.167
  223    HG3  LYS 105           HG3      LYS 105  20.182   4.912   9.057
  224    HD2  LYS 105           HD2      LYS 105  21.358   5.953   7.128
  225    HD3  LYS 105           HD3      LYS 105  22.536   6.684   8.243
  226    HE2  LYS 105           HE2      LYS 105  23.190   4.411   9.030
  227    HE3  LYS 105           HE3      LYS 105  22.018   3.689   7.922
  228    HZ1  LYS 105           HZ1      LYS 105  23.292   4.641   6.056
  229    HZ2  LYS 105           HZ2      LYS 105  24.380   5.303   7.082
  230    HZ3  LYS 105           HZ3      LYS 105  24.249   3.681   6.959
  231    H    GLU 106           H        GLU 106  19.638   9.222  11.317
  232    HA   GLU 106           HA       GLU 106  21.167   8.459  13.546
  233    HB2  GLU 106           HB2      GLU 106  19.651  10.975  12.811
  234    HB3  GLU 106           HB3      GLU 106  20.312  10.811  14.442
  235    HG2  GLU 106           HG2      GLU 106  22.538  10.325  13.524
  236    HG3  GLU 106           HG3      GLU 106  21.897  10.541  11.876
  237    H    TRP 107           H        TRP 107  17.658   9.176  13.423
  238    HA   TRP 107           HA       TRP 107  17.199   8.688  16.201
  239    HB2  TRP 107           HB2      TRP 107  15.280   8.379  13.864
  240    HB3  TRP 107           HB3      TRP 107  14.830   8.358  15.556
  241    HD1  TRP 107           HD1      TRP 107  17.317  11.023  15.297
  242    HE1  TRP 107           HE1      TRP 107  16.251  13.326  15.065
  243    HE3  TRP 107           HE3      TRP 107  12.528   9.604  14.095
  244    HZ2  TRP 107           HZ2      TRP 107  13.715  14.426  14.391
  245    HZ3  TRP 107           HZ3      TRP 107  10.787  11.345  13.707
  246    HH2  TRP 107           HH2      TRP 107  11.376  13.764  13.844
  247    H    LYS 108           H        LYS 108  17.174   6.407  13.448
  248    HA   LYS 108           HA       LYS 108  16.349   4.060  14.961
  249    HB2  LYS 108           HB2      LYS 108  18.028   4.270  12.408
  250    HB3  LYS 108           HB3      LYS 108  17.324   2.766  13.063
  251    HG2  LYS 108           HG2      LYS 108  15.049   3.743  12.823
  252    HG3  LYS 108           HG3      LYS 108  15.728   5.193  12.140
  253    HD2  LYS 108           HD2      LYS 108  15.480   4.257  10.115
  254    HD3  LYS 108           HD3      LYS 108  16.872   3.239  10.507
  255    HE2  LYS 108           HE2      LYS 108  15.273   1.600  11.577
  256    HE3  LYS 108           HE3      LYS 108  13.928   2.613  11.043
  257    HZ1  LYS 108           HZ1      LYS 108  14.636   2.199   8.722
  258    HZ2  LYS 108           HZ2      LYS 108  15.845   1.210   9.228
  259    HZ3  LYS 108           HZ3      LYS 108  14.272   0.803   9.501
  260    H    ALA 109           H        ALA 109  19.537   5.471  14.307
  261    HA   ALA 109           HA       ALA 109  21.033   3.399  15.660
  262    HB1  ALA 109           HB1      ALA 109  21.751   6.289  15.019
  263    HB2  ALA 109           HB2      ALA 109  22.892   5.003  15.467
  264    HB3  ALA 109           HB3      ALA 109  21.982   4.898  13.947
  265    H    LYS 110           H        LYS 110  19.685   6.509  16.733
  266    HA   LYS 110           HA       LYS 110  20.922   6.418  19.377
  267    HB2  LYS 110           HB2      LYS 110  18.846   8.218  18.099
  268    HB3  LYS 110           HB3      LYS 110  19.441   8.460  19.746
  269    HG2  LYS 110           HG2      LYS 110  21.709   8.809  18.980
  270    HG3  LYS 110           HG3      LYS 110  21.300   8.346  17.330
  271    HD2  LYS 110           HD2      LYS 110  19.649  10.321  17.306
  272    HD3  LYS 110           HD3      LYS 110  20.399  10.835  18.837
  273    HE2  LYS 110           HE2      LYS 110  22.644  10.825  17.659
  274    HE3  LYS 110           HE3      LYS 110  21.818  10.411  16.151
  275    HZ1  LYS 110           HZ1      LYS 110  22.005  12.713  16.038
  276    HZ2  LYS 110           HZ2      LYS 110  20.488  12.581  16.615
  277    HZ3  LYS 110           HZ3      LYS 110  21.706  12.966  17.640
  278    H    TRP 111           H        TRP 111  17.671   5.622  18.232
  279    HA   TRP 111           HA       TRP 111  16.923   4.794  21.014
  280    HB2  TRP 111           HB2      TRP 111  15.269   6.230  18.908
  281    HB3  TRP 111           HB3      TRP 111  14.641   5.622  20.435
  282    HD1  TRP 111           HD1      TRP 111  16.049   6.545  22.701
  283    HE1  TRP 111           HE1      TRP 111  16.901   8.900  23.244
  284    HE3  TRP 111           HE3      TRP 111  15.934   8.535  17.999
  285    HZ2  TRP 111           HZ2      TRP 111  17.637  11.286  21.787
  286    HZ3  TRP 111           HZ3      TRP 111  16.828  10.834  17.593
  287    HH2  TRP 111           HH2      TRP 111  17.654  12.213  19.471
  288    H    GLY 112           H        GLY 112  17.408   3.437  18.006
  289    HA2  GLY 112           HA2      GLY 112  17.326   1.082  17.849
  290    HA3  GLY 112           HA3      GLY 112  15.866   1.013  18.815
  291    HA   PRO 113           HA       PRO 113  15.076   1.860  14.085
  292    HB2  PRO 113           HB2      PRO 113  15.360  -0.663  12.862
  293    HB3  PRO 113           HB3      PRO 113  16.557   0.663  12.829
  294    HG2  PRO 113           HG2      PRO 113  16.477  -1.724  14.645
  295    HG3  PRO 113           HG3      PRO 113  17.890  -0.926  13.836
  296    HD2  PRO 113           HD2      PRO 113  17.312  -0.546  16.446
  297    HD3  PRO 113           HD3      PRO 113  17.949   0.776  15.415
  298    H    GLU 114           H        GLU 114  14.247  -1.085  15.972
  299    HA   GLU 114           HA       GLU 114  11.700  -1.482  14.740
  300    HB2  GLU 114           HB2      GLU 114  12.806  -2.313  17.448
  301    HB3  GLU 114           HB3      GLU 114  11.248  -2.857  16.809
  302    HG2  GLU 114           HG2      GLU 114  12.401  -3.839  14.833
  303    HG3  GLU 114           HG3      GLU 114  13.960  -3.365  15.510
  304    H    ALA 115           H        ALA 115  12.717   0.358  17.582
  305    HA   ALA 115           HA       ALA 115  10.077   1.183  18.446
  306    HB1  ALA 115           HB1      ALA 115  12.042   1.281  19.923
  307    HB2  ALA 115           HB2      ALA 115  12.824   2.452  18.842
  308    HB3  ALA 115           HB3      ALA 115  11.355   2.909  19.719
  309    H    VAL 116           H        VAL 116  12.597   2.799  16.434
  310    HA   VAL 116           HA       VAL 116  11.021   5.088  15.789
  311    HB   VAL 116           HB       VAL 116  13.346   3.797  14.346
  312   HG11  VAL 116          HG11      VAL 116  12.145   6.583  13.981
  313   HG12  VAL 116          HG12      VAL 116  13.691   6.033  13.299
  314   HG13  VAL 116          HG13      VAL 116  12.176   5.288  12.768
  315   HG21  VAL 116          HG21      VAL 116  13.834   4.624  16.696
  316   HG22  VAL 116          HG22      VAL 116  14.656   5.545  15.448
  317   HG23  VAL 116          HG23      VAL 116  13.216   6.202  16.223
  318    H    GLU 117           H        GLU 117  11.289   1.939  13.996
  319    HA   GLU 117           HA       GLU 117   9.483   2.808  11.898
  320    HB2  GLU 117           HB2      GLU 117  10.394   0.083  12.877
  321    HB3  GLU 117           HB3      GLU 117   9.197   0.282  11.584
  322    HG2  GLU 117           HG2      GLU 117  10.739   1.587  10.240
  323    HG3  GLU 117           HG3      GLU 117  11.948   1.575  11.519
  324    H    SER 118           H        SER 118   8.940   1.684  15.188
  325    HA   SER 118           HA       SER 118   6.052   1.299  14.834
  326    HB2  SER 118           HB2      SER 118   7.539   1.735  17.429
  327    HB3  SER 118           HB3      SER 118   5.885   1.170  17.185
  328    HG   SER 118           HG       SER 118   8.279  -0.164  16.387
  329    H    TRP 119           H        TRP 119   8.143   4.113  15.361
  330    HA   TRP 119           HA       TRP 119   5.979   5.921  16.121
  331    HB2  TRP 119           HB2      TRP 119   8.600   6.652  14.776
  332    HB3  TRP 119           HB3      TRP 119   7.520   7.709  15.633
  333    HD1  TRP 119           HD1      TRP 119   7.464   5.294  18.097
  334    HE1  TRP 119           HE1      TRP 119   9.335   5.479  19.827
  335    HE3  TRP 119           HE3      TRP 119  10.715   8.344  15.502
  336    HZ2  TRP 119           HZ2      TRP 119  11.937   6.634  20.015
  337    HZ3  TRP 119           HZ3      TRP 119  12.817   9.086  16.581
  338    HH2  TRP 119           HH2      TRP 119  13.471   8.215  18.807
  339    H    ALA 120           H        ALA 120   6.852   4.437  13.110
  340    HA   ALA 120           HA       ALA 120   6.296   6.538  11.327
  341    HB1  ALA 120           HB1      ALA 120   6.247   4.871   9.588
  342    HB2  ALA 120           HB2      ALA 120   7.498   4.419  10.762
  343    HB3  ALA 120           HB3      ALA 120   5.931   3.577  10.760
  344    H    THR 121           H        THR 121   4.528   7.280  10.274
  345    HA   THR 121           HA       THR 121   1.954   5.756  10.245
  346    HB   THR 121           HB       THR 121   0.913   8.168  10.212
  347    HG1  THR 121           HG1      THR 121   1.966   9.542  11.717
  348   HG21  THR 121          HG21      THR 121   0.365   6.433  11.855
  349   HG22  THR 121          HG22      THR 121   1.791   6.893  12.827
  350   HG23  THR 121          HG23      THR 121   0.443   8.035  12.601
  351    H    LEU 122           H        LEU 122   1.411   5.269   8.340
  352    HA   LEU 122           HA       LEU 122   2.400   6.475   5.906
  353    HB2  LEU 122           HB2      LEU 122   0.104   4.612   6.630
  354    HB3  LEU 122           HB3      LEU 122   0.425   5.073   4.959
  355    HG   LEU 122           HG       LEU 122   2.524   3.744   6.731
  356   HD11  LEU 122          HD11      LEU 122   1.943   1.635   5.578
  357   HD12  LEU 122          HD12      LEU 122   0.573   2.237   6.521
  358   HD13  LEU 122          HD13      LEU 122   0.590   2.446   4.757
  359   HD21  LEU 122          HD21      LEU 122   3.372   4.919   4.685
  360   HD22  LEU 122          HD22      LEU 122   3.549   3.160   4.547
  361   HD23  LEU 122          HD23      LEU 122   2.238   3.987   3.689
  362    H    LEU 123           H        LEU 123   1.592   8.114   4.691
  363    HA   LEU 123           HA       LEU 123  -0.777   9.574   5.748
  364    HB2  LEU 123           HB2      LEU 123   1.408  10.557   3.883
  365    HB3  LEU 123           HB3      LEU 123   0.121  11.521   4.586
  366    HG   LEU 123           HG       LEU 123   2.517  10.321   6.020
  367   HD11  LEU 123          HD11      LEU 123   2.794  12.455   4.768
  368   HD12  LEU 123          HD12      LEU 123   1.476  13.174   5.707
  369   HD13  LEU 123          HD13      LEU 123   2.968  12.676   6.516
  370   HD21  LEU 123          HD21      LEU 123   0.624  10.061   7.570
  371   HD22  LEU 123          HD22      LEU 123   1.586  11.444   8.086
  372   HD23  LEU 123          HD23      LEU 123   0.067  11.713   7.218
  373    H    GLY 124           H        GLY 124  -1.555   7.411   4.456
  374    HA2  GLY 124           HA2      GLY 124  -3.426   8.355   2.571
  375    HA3  GLY 124           HA3      GLY 124  -2.106   7.644   1.642
  376    H    HIS 125           H        HIS 125  -4.361   6.508   1.156
  377    HA   HIS 125           HA       HIS 125  -4.347   3.854   2.502
  378    HB2  HIS 125           HB2      HIS 125  -5.983   5.088   3.652
  379    HB3  HIS 125           HB3      HIS 125  -6.779   5.595   2.155
  380    HD1  HIS 125           HD1      HIS 125  -6.403   2.526   4.437
  381    HD2  HIS 125           HD2      HIS 125  -8.361   3.798   0.919
  382    HE1  HIS 125           HE1      HIS 125  -8.167   0.723   3.899
  383    HE2  HIS 125           HE2      HIS 125  -9.359   1.505   1.748
  Start of MODEL   17
    1    H    ALA  79           H1       ALA  79   4.099   0.417   0.931
    2    HA   ALA  79           HA       ALA  79   3.344   0.123  -1.908
    3    HB1  ALA  79           HB1      ALA  79   1.365  -0.074  -0.418
    4    HB2  ALA  79           HB2      ALA  79   1.784   1.468   0.364
    5    HB3  ALA  79           HB3      ALA  79   1.308   1.430  -1.344
    6    H    ARG  80           H        ARG  80   2.966   2.263  -2.983
    7    HA   ARG  80           HA       ARG  80   5.314   3.991  -2.697
    8    HB2  ARG  80           HB2      ARG  80   3.056   4.010  -4.671
    9    HB3  ARG  80           HB3      ARG  80   4.484   5.078  -4.664
   10    HG2  ARG  80           HG2      ARG  80   5.982   3.076  -4.714
   11    HG3  ARG  80           HG3      ARG  80   4.555   2.034  -4.809
   12    HD2  ARG  80           HD2      ARG  80   5.377   2.265  -7.003
   13    HD3  ARG  80           HD3      ARG  80   3.878   3.222  -6.888
   14    HE   ARG  80           HE       ARG  80   6.204   4.861  -6.369
   15   HH11  ARG  80          HH11      ARG  80   4.546   3.398  -9.090
   16   HH12  ARG  80          HH12      ARG  80   5.133   4.592 -10.214
   17   HH21  ARG  80          HH21      ARG  80   6.917   6.354  -7.855
   18   HH22  ARG  80          HH22      ARG  80   6.461   6.211  -9.526
   19    H    LYS  81           H        LYS  81   4.515   4.510  -0.408
   20    HA   LYS  81           HA       LYS  81   2.920   7.060  -0.337
   21    HB2  LYS  81           HB2      LYS  81   2.608   4.557   1.390
   22    HB3  LYS  81           HB3      LYS  81   1.968   6.141   1.863
   23    HG2  LYS  81           HG2      LYS  81   0.591   6.224  -0.187
   24    HG3  LYS  81           HG3      LYS  81   1.195   4.619  -0.666
   25    HD2  LYS  81           HD2      LYS  81   0.227   3.624   1.376
   26    HD3  LYS  81           HD3      LYS  81  -0.357   5.222   1.891
   27    HE2  LYS  81           HE2      LYS  81  -1.721   5.396  -0.181
   28    HE3  LYS  81           HE3      LYS  81  -1.149   3.804  -0.700
   29    HZ1  LYS  81           HZ1      LYS  81  -3.330   3.656   0.379
   30    HZ2  LYS  81           HZ2      LYS  81  -2.238   2.843   1.281
   31    HZ3  LYS  81           HZ3      LYS  81  -2.763   4.316   1.758
   32    H    VAL  82           H        VAL  82   3.272   8.395   1.388
   33    HA   VAL  82           HA       VAL  82   6.056   8.578   2.334
   34    HB   VAL  82           HB       VAL  82   3.576  10.290   2.778
   35   HG11  VAL  82          HG11      VAL  82   6.432  10.840   3.698
   36   HG12  VAL  82          HG12      VAL  82   5.150  12.060   3.598
   37   HG13  VAL  82          HG13      VAL  82   4.968  10.715   4.715
   38   HG21  VAL  82          HG21      VAL  82   6.085  10.804   1.129
   39   HG22  VAL  82          HG22      VAL  82   4.513  10.310   0.460
   40   HG23  VAL  82          HG23      VAL  82   4.678  11.871   1.268
   41    H    LYS  83           H        LYS  83   6.800   8.180   4.367
   42    HA   LYS  83           HA       LYS  83   4.878   7.359   6.526
   43    HB2  LYS  83           HB2      LYS  83   7.807   6.668   6.039
   44    HB3  LYS  83           HB3      LYS  83   7.056   6.561   7.639
   45    HG2  LYS  83           HG2      LYS  83   5.358   5.003   6.794
   46    HG3  LYS  83           HG3      LYS  83   6.110   5.041   5.183
   47    HD2  LYS  83           HD2      LYS  83   8.152   4.050   6.030
   48    HD3  LYS  83           HD3      LYS  83   7.620   4.227   7.709
   49    HE2  LYS  83           HE2      LYS  83   5.832   2.619   7.416
   50    HE3  LYS  83           HE3      LYS  83   6.152   2.493   5.681
   51    HZ1  LYS  83           HZ1      LYS  83   8.103   1.669   7.807
   52    HZ2  LYS  83           HZ2      LYS  83   7.170   0.649   6.938
   53    HZ3  LYS  83           HZ3      LYS  83   8.329   1.525   6.194
   54    H    GLN  84           H        GLN  84   4.477   8.873   7.906
   55    HA   GLN  84           HA       GLN  84   6.336  11.138   8.446
   56    HB2  GLN  84           HB2      GLN  84   3.906  11.572   8.109
   57    HB3  GLN  84           HB3      GLN  84   3.518  10.480   9.432
   58    HG2  GLN  84           HG2      GLN  84   4.718  11.991  11.016
   59    HG3  GLN  84           HG3      GLN  84   5.131  13.068   9.678
   60   HE21  GLN  84          HE22      GLN  84   3.341  14.369   8.675
   61   HE22  GLN  84          HE21      GLN  84   1.835  14.519   9.574
   62    H    TYR  85           H        TYR  85   7.272  11.360  10.472
   63    HA   TYR  85           HA       TYR  85   6.943   9.189  12.497
   64    HB2  TYR  85           HB2      TYR  85   9.604  10.298  11.510
   65    HB3  TYR  85           HB3      TYR  85   9.398   9.211  12.860
   66    HD1  TYR  85           HD1      TYR  85   9.113   9.473   9.137
   67    HD2  TYR  85           HD2      TYR  85   9.355   6.860  12.559
   68    HE1  TYR  85           HE1      TYR  85   9.608   7.548   7.643
   69    HE2  TYR  85           HE2      TYR  85   9.883   4.941  11.074
   70    HH   TYR  85           HH       TYR  85  10.330   4.280   8.922
   71    H    LYS  86           H        LYS  86   7.359   9.875  14.613
   72    HA   LYS  86           HA       LYS  86   8.025  12.741  15.123
   73    HB2  LYS  86           HB2      LYS  86   5.569  12.421  15.316
   74    HB3  LYS  86           HB3      LYS  86   5.831  11.108  16.478
   75    HG2  LYS  86           HG2      LYS  86   6.778  12.637  18.111
   76    HG3  LYS  86           HG3      LYS  86   6.768  13.970  16.945
   77    HD2  LYS  86           HD2      LYS  86   4.290  13.866  16.843
   78    HD3  LYS  86           HD3      LYS  86   4.301  12.525  18.010
   79    HE2  LYS  86           HE2      LYS  86   5.406  13.998  19.686
   80    HE3  LYS  86           HE3      LYS  86   5.398  15.329  18.527
   81    HZ1  LYS  86           HZ1      LYS  86   2.950  15.241  18.540
   82    HZ2  LYS  86           HZ2      LYS  86   2.959  14.015  19.624
   83    HZ3  LYS  86           HZ3      LYS  86   3.509  15.487  20.052
   84    H    ASN  87           H        ASN  87   9.326  13.062  16.898
   85    HA   ASN  87           HA       ASN  87  10.410  10.584  18.223
   86    HB2  ASN  87           HB2      ASN  87  11.912  11.655  16.637
   87    HB3  ASN  87           HB3      ASN  87  11.862  13.159  17.556
   88   HD21  ASN  87          HD22      ASN  87  14.277  11.790  17.030
   89   HD22  ASN  87          HD21      ASN  87  14.854  11.116  18.551
   90    HA   PRO  88           HA       PRO  88   8.361  12.622  21.813
   91    HB2  PRO  88           HB2      PRO  88   9.308   9.934  22.842
   92    HB3  PRO  88           HB3      PRO  88   7.814  10.836  23.259
   93    HG2  PRO  88           HG2      PRO  88   7.720   8.816  21.466
   94    HG3  PRO  88           HG3      PRO  88   6.845  10.344  21.131
   95    HD2  PRO  88           HD2      PRO  88   9.487   9.407  20.016
   96    HD3  PRO  88           HD3      PRO  88   8.139  10.265  19.206
   97    H    HIS  89           H        HIS  89  11.658  11.307  21.517
   98    HA   HIS  89           HA       HIS  89  12.560  12.321  24.107
   99    HB2  HIS  89           HB2      HIS  89  14.195  11.289  21.752
  100    HB3  HIS  89           HB3      HIS  89  14.754  11.524  23.396
  101    HD1  HIS  89           HD1      HIS  89  13.616   9.822  25.292
  102    HD2  HIS  89           HD2      HIS  89  12.975   9.000  21.196
  103    HE1  HIS  89           HE1      HIS  89  12.761   7.397  25.169
  104    HE2  HIS  89           HE2      HIS  89  12.372   6.892  22.678
  105    H    THR  90           H        THR  90  12.293  13.752  20.935
  106    HA   THR  90           HA       THR  90  13.887  16.133  21.845
  107    HB   THR  90           HB       THR  90  14.594  16.436  19.564
  108    HG1  THR  90           HG1      THR  90  13.957  15.001  17.977
  109   HG21  THR  90          HG21      THR  90  15.910  14.771  20.923
  110   HG22  THR  90          HG22      THR  90  14.927  13.471  20.200
  111   HG23  THR  90          HG23      THR  90  15.975  14.478  19.175
  112    H    GLY  91           H        GLY  91  10.864  15.072  20.465
  113    HA2  GLY  91           HA2      GLY  91   8.875  16.331  20.398
  114    HA3  GLY  91           HA3      GLY  91   9.792  17.836  20.433
  115    H    GLU  92           H        GLU  92  11.424  16.081  18.160
  116    HA   GLU  92           HA       GLU  92  10.412  17.631  15.976
  117    HB2  GLU  92           HB2      GLU  92  12.529  15.534  16.390
  118    HB3  GLU  92           HB3      GLU  92  11.946  15.762  14.745
  119    HG2  GLU  92           HG2      GLU  92  12.396  17.985  14.653
  120    HG3  GLU  92           HG3      GLU  92  12.778  18.114  16.395
  121    H    VAL  93           H        VAL  93   9.531  17.082  14.036
  122    HA   VAL  93           HA       VAL  93   8.387  14.385  13.583
  123    HB   VAL  93           HB       VAL  93   7.204  17.075  12.836
  124   HG11  VAL  93          HG11      VAL  93   6.023  14.270  12.566
  125   HG12  VAL  93          HG12      VAL  93   5.177  15.786  12.192
  126   HG13  VAL  93          HG13      VAL  93   6.565  15.296  11.220
  127   HG21  VAL  93          HG21      VAL  93   5.405  16.594  14.460
  128   HG22  VAL  93          HG22      VAL  93   6.304  15.151  14.994
  129   HG23  VAL  93          HG23      VAL  93   6.995  16.786  15.208
  130    H    ILE  94           H        ILE  94   8.678  13.623  11.516
  131    HA   ILE  94           HA       ILE  94   9.733  15.324   9.359
  132    HB   ILE  94           HB       ILE  94  11.506  13.685   8.788
  133   HG12  ILE  94          HG12      ILE  94  10.953  12.470  11.519
  134   HG13  ILE  94          HG13      ILE  94  10.608  11.718   9.965
  135   HG21  ILE  94          HG21      ILE  94  11.955  14.893  11.539
  136   HG22  ILE  94          HG22      ILE  94  13.171  14.534  10.295
  137   HG23  ILE  94          HG23      ILE  94  11.971  15.795  10.008
  138   HD11  ILE  94          HD11      ILE  94  12.627  10.778  10.908
  139   HD12  ILE  94          HD12      ILE  94  12.993  11.664   9.413
  140   HD13  ILE  94          HD13      ILE  94  13.386  12.370  11.009
  141    H    GLU  95           H        GLU  95   9.733  14.239   7.328
  142    HA   GLU  95           HA       GLU  95   7.965  11.869   6.997
  143    HB2  GLU  95           HB2      GLU  95   7.603  14.631   5.783
  144    HB3  GLU  95           HB3      GLU  95   6.990  13.186   4.973
  145    HG2  GLU  95           HG2      GLU  95   5.547  12.633   6.788
  146    HG3  GLU  95           HG3      GLU  95   6.279  13.846   7.838
  147    H    THR  96           H        THR  96   8.572  10.510   5.443
  148    HA   THR  96           HA       THR  96  10.295  11.323   3.183
  149    HB   THR  96           HB       THR  96  12.026  10.843   4.715
  150    HG1  THR  96           HG1      THR  96  12.964   9.062   3.737
  151   HG21  THR  96          HG21      THR  96  12.239   8.707   5.956
  152   HG22  THR  96          HG22      THR  96  10.865   9.663   6.526
  153   HG23  THR  96          HG23      THR  96  10.592   8.260   5.461
  154    H    LYS  97           H        LYS  97  10.442   9.645   1.530
  155    HA   LYS  97           HA       LYS  97   8.047   7.859   1.398
  156    HB2  LYS  97           HB2      LYS  97  10.147   8.668  -0.657
  157    HB3  LYS  97           HB3      LYS  97   8.828   7.529  -0.967
  158    HG2  LYS  97           HG2      LYS  97   7.152   9.248  -0.423
  159    HG3  LYS  97           HG3      LYS  97   8.442  10.425  -0.106
  160    HD2  LYS  97           HD2      LYS  97   9.229  10.210  -2.447
  161    HD3  LYS  97           HD3      LYS  97   7.929   9.041  -2.778
  162    HE2  LYS  97           HE2      LYS  97   6.233  10.761  -2.209
  163    HE3  LYS  97           HE3      LYS  97   7.514  11.925  -1.845
  164    HZ1  LYS  97           HZ1      LYS  97   8.220  11.793  -4.179
  165    HZ2  LYS  97           HZ2      LYS  97   7.043  10.704  -4.524
  166    HZ3  LYS  97           HZ3      LYS  97   6.650  12.230  -4.099
  167    H    GLY  98           H        GLY  98  11.092   7.547   2.668
  168    HA2  GLY  98           HA2      GLY  98  11.575   5.405   3.716
  169    HA3  GLY  98           HA3      GLY  98  11.118   4.572   2.236
  170    H    GLY  99           H        GLY  99  12.912   7.287   1.346
  171    HA2  GLY  99           HA2      GLY  99  15.280   5.768   0.610
  172    HA3  GLY  99           HA3      GLY  99  15.014   7.500   0.393
  173    H    ASN 100           H        ASN 100  17.454   7.011   0.977
  174    HA   ASN 100           HA       ASN 100  18.189   6.754   3.750
  175    HB2  ASN 100           HB2      ASN 100  19.672   6.162   1.880
  176    HB3  ASN 100           HB3      ASN 100  19.715   7.848   1.357
  177   HD21  ASN 100          HD22      ASN 100  22.072   7.734   1.603
  178   HD22  ASN 100          HD21      ASN 100  22.772   7.851   3.210
  179    H    HIS 101           H        HIS 101  16.759   8.223   4.796
  180    HA   HIS 101           HA       HIS 101  17.327  11.147   4.535
  181    HB2  HIS 101           HB2      HIS 101  14.986  10.220   4.372
  182    HB3  HIS 101           HB3      HIS 101  15.089   9.730   6.061
  183    HD1  HIS 101           HD1      HIS 101  14.928  11.771   7.850
  184    HD2  HIS 101           HD2      HIS 101  14.801  12.832   3.780
  185    HE1  HIS 101           HE1      HIS 101  14.450  14.315   7.787
  186    HE2  HIS 101           HE2      HIS 101  14.297  14.929   5.280
  187    H    LYS 102           H        LYS 102  19.267  11.389   5.611
  188    HA   LYS 102           HA       LYS 102  20.376   9.988   7.633
  189    HB2  LYS 102           HB2      LYS 102  21.488  11.716   6.274
  190    HB3  LYS 102           HB3      LYS 102  20.645  12.985   7.143
  191    HG2  LYS 102           HG2      LYS 102  22.932  12.836   7.880
  192    HG3  LYS 102           HG3      LYS 102  21.863  12.427   9.216
  193    HD2  LYS 102           HD2      LYS 102  22.316  10.023   8.891
  194    HD3  LYS 102           HD3      LYS 102  23.331  10.370   7.487
  195    HE2  LYS 102           HE2      LYS 102  23.859  11.373  10.332
  196    HE3  LYS 102           HE3      LYS 102  24.549   9.892   9.659
  197    HZ1  LYS 102           HZ1      LYS 102  25.651  11.255   7.939
  198    HZ2  LYS 102           HZ2      LYS 102  25.065  12.634   8.606
  199    HZ3  LYS 102           HZ3      LYS 102  26.121  11.710   9.430
  200    H    THR 103           H        THR 103  18.236  12.780   8.371
  201    HA   THR 103           HA       THR 103  18.488  12.722  11.174
  202    HB   THR 103           HB       THR 103  15.847  13.213   9.743
  203    HG1  THR 103           HG1      THR 103  17.958  15.092   9.988
  204   HG21  THR 103          HG21      THR 103  15.707  13.451  12.170
  205   HG22  THR 103          HG22      THR 103  17.110  14.536  12.180
  206   HG23  THR 103          HG23      THR 103  15.591  15.035  11.394
  207    H    LEU 104           H        LEU 104  16.532  10.548   9.151
  208    HA   LEU 104           HA       LEU 104  15.104   9.329  11.431
  209    HB2  LEU 104           HB2      LEU 104  14.171   9.466   9.050
  210    HB3  LEU 104           HB3      LEU 104  15.460   8.376   8.538
  211    HG   LEU 104           HG       LEU 104  14.552   6.701  10.275
  212   HD11  LEU 104          HD11      LEU 104  13.179   8.272  11.619
  213   HD12  LEU 104          HD12      LEU 104  12.156   8.582  10.193
  214   HD13  LEU 104          HD13      LEU 104  12.205   6.975  10.921
  215   HD21  LEU 104          HD21      LEU 104  12.806   5.891   8.814
  216   HD22  LEU 104          HD22      LEU 104  12.665   7.473   8.025
  217   HD23  LEU 104          HD23      LEU 104  14.146   6.503   7.833
  218    H    LYS 105           H        LYS 105  17.879   8.535   9.253
  219    HA   LYS 105           HA       LYS 105  18.576   6.052  10.402
  220    HB2  LYS 105           HB2      LYS 105  19.521   7.299   8.321
  221    HB3  LYS 105           HB3      LYS 105  20.652   8.053   9.487
  222    HG2  LYS 105           HG2      LYS 105  21.436   5.807  10.167
  223    HG3  LYS 105           HG3      LYS 105  20.278   5.055   9.051
  224    HD2  LYS 105           HD2      LYS 105  21.422   6.142   7.128
  225    HD3  LYS 105           HD3      LYS 105  22.584   6.889   8.248
  226    HE2  LYS 105           HE2      LYS 105  23.306   4.642   9.011
  227    HE3  LYS 105           HE3      LYS 105  22.145   3.886   7.910
  228    HZ1  LYS 105           HZ1      LYS 105  24.366   3.944   6.929
  229    HZ2  LYS 105           HZ2      LYS 105  23.372   4.875   6.037
  230    HZ3  LYS 105           HZ3      LYS 105  24.455   5.569   7.054
  231    H    GLU 106           H        GLU 106  19.630   9.316  11.384
  232    HA   GLU 106           HA       GLU 106  21.185   8.526  13.595
  233    HB2  GLU 106           HB2      GLU 106  19.601  11.025  12.940
  234    HB3  GLU 106           HB3      GLU 106  20.301  10.843  14.551
  235    HG2  GLU 106           HG2      GLU 106  22.512  10.499  13.627
  236    HG3  GLU 106           HG3      GLU 106  21.876  10.636  11.966
  237    H    TRP 107           H        TRP 107  17.663   9.207  13.488
  238    HA   TRP 107           HA       TRP 107  17.227   8.633  16.248
  239    HB2  TRP 107           HB2      TRP 107  15.298   8.390  13.912
  240    HB3  TRP 107           HB3      TRP 107  14.852   8.348  15.604
  241    HD1  TRP 107           HD1      TRP 107  17.347  10.979  15.474
  242    HE1  TRP 107           HE1      TRP 107  16.321  13.305  15.250
  243    HE3  TRP 107           HE3      TRP 107  12.581   9.652  14.073
  244    HZ2  TRP 107           HZ2      TRP 107  13.838  14.451  14.495
  245    HZ3  TRP 107           HZ3      TRP 107  10.884  11.424  13.671
  246    HH2  TRP 107           HH2      TRP 107  11.508  13.846  13.863
  247    H    LYS 108           H        LYS 108  17.180   6.429  13.433
  248    HA   LYS 108           HA       LYS 108  16.341   4.052  14.886
  249    HB2  LYS 108           HB2      LYS 108  18.003   4.331  12.337
  250    HB3  LYS 108           HB3      LYS 108  17.290   2.809  12.944
  251    HG2  LYS 108           HG2      LYS 108  15.021   3.719  12.659
  252    HG3  LYS 108           HG3      LYS 108  15.654   5.271  12.196
  253    HD2  LYS 108           HD2      LYS 108  15.365   4.569  10.084
  254    HD3  LYS 108           HD3      LYS 108  16.902   3.731  10.308
  255    HE2  LYS 108           HE2      LYS 108  15.630   1.694  11.036
  256    HE3  LYS 108           HE3      LYS 108  14.106   2.574  10.788
  257    HZ1  LYS 108           HZ1      LYS 108  14.687   2.741   8.401
  258    HZ2  LYS 108           HZ2      LYS 108  16.093   1.935   8.637
  259    HZ3  LYS 108           HZ3      LYS 108  14.670   1.172   8.855
  260    H    ALA 109           H        ALA 109  19.535   5.467  14.252
  261    HA   ALA 109           HA       ALA 109  21.037   3.363  15.562
  262    HB1  ALA 109           HB1      ALA 109  22.002   4.901  13.899
  263    HB2  ALA 109           HB2      ALA 109  21.731   6.281  14.984
  264    HB3  ALA 109           HB3      ALA 109  22.877   4.998  15.439
  265    H    LYS 110           H        LYS 110  19.695   6.457  16.698
  266    HA   LYS 110           HA       LYS 110  20.903   6.293  19.343
  267    HB2  LYS 110           HB2      LYS 110  18.845   8.133  18.085
  268    HB3  LYS 110           HB3      LYS 110  19.412   8.335  19.748
  269    HG2  LYS 110           HG2      LYS 110  21.678   8.724  19.044
  270    HG3  LYS 110           HG3      LYS 110  21.329   8.274  17.375
  271    HD2  LYS 110           HD2      LYS 110  19.681  10.197  17.270
  272    HD3  LYS 110           HD3      LYS 110  20.247  10.708  18.862
  273    HE2  LYS 110           HE2      LYS 110  21.952  10.477  16.318
  274    HE3  LYS 110           HE3      LYS 110  21.258  11.966  16.962
  275    HZ1  LYS 110           HZ1      LYS 110  22.612  11.666  18.983
  276    HZ2  LYS 110           HZ2      LYS 110  23.301  10.312  18.372
  277    HZ3  LYS 110           HZ3      LYS 110  23.563  11.751  17.660
  278    H    TRP 111           H        TRP 111  17.660   5.528  18.171
  279    HA   TRP 111           HA       TRP 111  16.887   4.632  20.930
  280    HB2  TRP 111           HB2      TRP 111  15.238   6.075  18.825
  281    HB3  TRP 111           HB3      TRP 111  14.590   5.395  20.307
  282    HD1  TRP 111           HD1      TRP 111  15.775   6.301  22.666
  283    HE1  TRP 111           HE1      TRP 111  16.589   8.638  23.323
  284    HE3  TRP 111           HE3      TRP 111  16.004   8.401  18.023
  285    HZ2  TRP 111           HZ2      TRP 111  17.400  11.071  21.986
  286    HZ3  TRP 111           HZ3      TRP 111  16.919  10.715  17.733
  287    HH2  TRP 111           HH2      TRP 111  17.597  12.049  19.701
  288    H    GLY 112           H        GLY 112  17.404   3.387  17.861
  289    HA2  GLY 112           HA2      GLY 112  17.379   1.044  17.574
  290    HA3  GLY 112           HA3      GLY 112  15.948   0.881  18.578
  291    HA   PRO 113           HA       PRO 113  14.994   1.909  13.912
  292    HB2  PRO 113           HB2      PRO 113  15.191  -0.567  12.613
  293    HB3  PRO 113           HB3      PRO 113  16.416   0.730  12.591
  294    HG2  PRO 113           HG2      PRO 113  16.343  -1.719  14.327
  295    HG3  PRO 113           HG3      PRO 113  17.740  -0.921  13.500
  296    HD2  PRO 113           HD2      PRO 113  17.246  -0.608  16.144
  297    HD3  PRO 113           HD3      PRO 113  17.890   0.726  15.130
  298    H    GLU 114           H        GLU 114  14.200  -1.058  15.768
  299    HA   GLU 114           HA       GLU 114  11.607  -1.426  14.635
  300    HB2  GLU 114           HB2      GLU 114  12.804  -2.284  17.300
  301    HB3  GLU 114           HB3      GLU 114  11.218  -2.807  16.716
  302    HG2  GLU 114           HG2      GLU 114  12.289  -3.791  14.691
  303    HG3  GLU 114           HG3      GLU 114  13.876  -3.341  15.312
  304    H    ALA 115           H        ALA 115  12.751   0.386  17.455
  305    HA   ALA 115           HA       ALA 115  10.160   1.245  18.422
  306    HB1  ALA 115           HB1      ALA 115  12.933   2.482  18.716
  307    HB2  ALA 115           HB2      ALA 115  11.501   2.938  19.657
  308    HB3  ALA 115           HB3      ALA 115  12.187   1.304  19.816
  309    H    VAL 116           H        VAL 116  12.606   2.833  16.300
  310    HA   VAL 116           HA       VAL 116  11.037   5.147  15.754
  311    HB   VAL 116           HB       VAL 116  13.262   3.850  14.155
  312   HG11  VAL 116          HG11      VAL 116  12.022   5.349  12.663
  313   HG12  VAL 116          HG12      VAL 116  12.036   6.630  13.895
  314   HG13  VAL 116          HG13      VAL 116  13.551   6.110  13.126
  315   HG21  VAL 116          HG21      VAL 116  13.236   6.218  16.092
  316   HG22  VAL 116          HG22      VAL 116  13.901   4.637  16.477
  317   HG23  VAL 116          HG23      VAL 116  14.626   5.602  15.201
  318    H    GLU 117           H        GLU 117  11.125   1.997  13.946
  319    HA   GLU 117           HA       GLU 117   9.222   2.942  11.976
  320    HB2  GLU 117           HB2      GLU 117  10.060   0.164  12.902
  321    HB3  GLU 117           HB3      GLU 117   8.779   0.403  11.719
  322    HG2  GLU 117           HG2      GLU 117  11.649   1.366  11.406
  323    HG3  GLU 117           HG3      GLU 117  10.947  -0.054  10.637
  324    H    SER 118           H        SER 118   8.836   1.699  15.268
  325    HA   SER 118           HA       SER 118   5.961   1.371  15.106
  326    HB2  SER 118           HB2      SER 118   7.303   0.320  16.813
  327    HB3  SER 118           HB3      SER 118   7.613   1.906  17.563
  328    HG   SER 118           HG       SER 118   5.820   0.769  18.511
  329    H    TRP 119           H        TRP 119   8.086   4.191  15.515
  330    HA   TRP 119           HA       TRP 119   5.950   6.055  16.223
  331    HB2  TRP 119           HB2      TRP 119   8.579   6.736  14.880
  332    HB3  TRP 119           HB3      TRP 119   7.524   7.794  15.767
  333    HD1  TRP 119           HD1      TRP 119   7.467   5.377  18.222
  334    HE1  TRP 119           HE1      TRP 119   9.390   5.483  19.903
  335    HE3  TRP 119           HE3      TRP 119  10.731   8.357  15.569
  336    HZ2  TRP 119           HZ2      TRP 119  12.007   6.649  20.074
  337    HZ3  TRP 119           HZ3      TRP 119  12.864   9.056  16.606
  338    HH2  TRP 119           HH2      TRP 119  13.532   8.205  18.835
  339    H    ALA 120           H        ALA 120   6.760   4.454  13.263
  340    HA   ALA 120           HA       ALA 120   6.282   6.592  11.454
  341    HB1  ALA 120           HB1      ALA 120   7.512   4.432  10.949
  342    HB2  ALA 120           HB2      ALA 120   5.928   3.644  10.825
  343    HB3  ALA 120           HB3      ALA 120   6.351   4.960   9.716
  344    H    THR 121           H        THR 121   4.513   7.249  10.305
  345    HA   THR 121           HA       THR 121   1.981   5.662  10.275
  346    HB   THR 121           HB       THR 121   0.879   8.040  10.150
  347    HG1  THR 121           HG1      THR 121   1.864   9.522  11.561
  348   HG21  THR 121          HG21      THR 121   1.782   6.922  12.832
  349   HG22  THR 121          HG22      THR 121   0.395   8.001  12.541
  350   HG23  THR 121          HG23      THR 121   0.379   6.361  11.894
  351    H    LEU 122           H        LEU 122   1.448   5.135   8.381
  352    HA   LEU 122           HA       LEU 122   2.564   6.288   5.956
  353    HB2  LEU 122           HB2      LEU 122   0.420   4.247   6.643
  354    HB3  LEU 122           HB3      LEU 122   0.753   4.702   4.967
  355    HG   LEU 122           HG       LEU 122   2.930   3.655   6.826
  356   HD11  LEU 122          HD11      LEU 122   2.617   1.458   5.737
  357   HD12  LEU 122          HD12      LEU 122   1.168   1.943   6.631
  358   HD13  LEU 122          HD13      LEU 122   1.200   2.087   4.860
  359   HD21  LEU 122          HD21      LEU 122   2.682   3.757   3.777
  360   HD22  LEU 122          HD22      LEU 122   3.678   4.858   4.746
  361   HD23  LEU 122          HD23      LEU 122   4.072   3.133   4.691
  362    H    LEU 123           H        LEU 123   1.884   8.056   4.938
  363    HA   LEU 123           HA       LEU 123  -0.681   9.335   5.673
  364    HB2  LEU 123           HB2      LEU 123   1.473  10.246   3.727
  365    HB3  LEU 123           HB3      LEU 123   0.128  11.199   4.337
  366    HG   LEU 123           HG       LEU 123   2.574  10.262   5.889
  367   HD11  LEU 123          HD11      LEU 123   1.425  13.018   5.306
  368   HD12  LEU 123          HD12      LEU 123   2.928  12.657   6.182
  369   HD13  LEU 123          HD13      LEU 123   2.797  12.279   4.459
  370   HD21  LEU 123          HD21      LEU 123   0.046  11.618   6.934
  371   HD22  LEU 123          HD22      LEU 123   0.698  10.043   7.448
  372   HD23  LEU 123          HD23      LEU 123   1.571  11.528   7.830
  373    H    GLY 124           H        GLY 124  -2.100  10.210   3.944
  374    HA2  GLY 124           HA2      GLY 124  -2.098   9.274   1.249
  375    HA3  GLY 124           HA3      GLY 124  -3.148   8.235   2.209
  376    H    HIS 125           H        HIS 125  -4.464   9.361   0.329
  377    HA   HIS 125           HA       HIS 125  -6.203  11.393   1.566
  378    HB2  HIS 125           HB2      HIS 125  -4.559  12.664   0.417
  379    HB3  HIS 125           HB3      HIS 125  -4.904  11.847  -1.116
  380    HD1  HIS 125           HD1      HIS 125  -8.235  12.251  -0.141
  381    HD2  HIS 125           HD2      HIS 125  -5.126  14.966  -1.010
  382    HE1  HIS 125           HE1      HIS 125  -9.379  14.498  -0.777
  383    HE2  HIS 125           HE2      HIS 125  -7.464  16.147  -1.305
  Start of MODEL   18
    1    H    ALA  79           H1       ALA  79   4.734   0.474   0.599
    2    HA   ALA  79           HA       ALA  79   5.266   0.411  -2.303
    3    HB1  ALA  79           HB1      ALA  79   2.864   1.597  -0.807
    4    HB2  ALA  79           HB2      ALA  79   3.124   1.618  -2.567
    5    HB3  ALA  79           HB3      ALA  79   2.854   0.086  -1.741
    6    H    ARG  80           H        ARG  80   4.910   2.853  -3.123
    7    HA   ARG  80           HA       ARG  80   7.158   4.359  -1.989
    8    HB2  ARG  80           HB2      ARG  80   5.370   4.967  -4.345
    9    HB3  ARG  80           HB3      ARG  80   6.850   5.821  -3.865
   10    HG2  ARG  80           HG2      ARG  80   8.131   3.707  -4.009
   11    HG3  ARG  80           HG3      ARG  80   6.711   2.878  -4.653
   12    HD2  ARG  80           HD2      ARG  80   8.077   5.291  -5.928
   13    HD3  ARG  80           HD3      ARG  80   8.327   3.600  -6.405
   14    HE   ARG  80           HE       ARG  80   5.565   4.017  -6.568
   15   HH11  ARG  80          HH12      ARG  80   8.381   5.291  -8.213
   16   HH12  ARG  80          HH11      ARG  80   7.498   5.598  -9.682
   17   HH21  ARG  80          HH21      ARG  80   4.491   4.453  -8.462
   18   HH22  ARG  80          HH22      ARG  80   5.342   5.144  -9.809
   19    H    LYS  81           H        LYS  81   4.024   4.358  -0.967
   20    HA   LYS  81           HA       LYS  81   3.304   7.028  -0.498
   21    HB2  LYS  81           HB2      LYS  81   2.844   4.473   1.107
   22    HB3  LYS  81           HB3      LYS  81   2.169   6.040   1.597
   23    HG2  LYS  81           HG2      LYS  81   1.010   6.257  -0.578
   24    HG3  LYS  81           HG3      LYS  81   1.636   4.671  -1.074
   25    HD2  LYS  81           HD2      LYS  81   0.411   3.582   0.776
   26    HD3  LYS  81           HD3      LYS  81  -0.093   5.155   1.393
   27    HE2  LYS  81           HE2      LYS  81  -1.973   4.245   0.260
   28    HE3  LYS  81           HE3      LYS  81  -1.366   5.583  -0.721
   29    HZ1  LYS  81           HZ1      LYS  81  -0.849   2.690  -1.254
   30    HZ2  LYS  81           HZ2      LYS  81  -1.916   3.618  -2.062
   31    HZ3  LYS  81           HZ3      LYS  81  -0.323   3.925  -2.198
   32    H    VAL  82           H        VAL  82   3.410   8.380   1.251
   33    HA   VAL  82           HA       VAL  82   6.087   8.692   2.393
   34    HB   VAL  82           HB       VAL  82   3.527  10.291   2.774
   35   HG11  VAL  82          HG11      VAL  82   6.363  10.916   3.717
   36   HG12  VAL  82          HG12      VAL  82   5.051  12.102   3.642
   37   HG13  VAL  82          HG13      VAL  82   4.912  10.737   4.734
   38   HG21  VAL  82          HG21      VAL  82   4.608  11.931   1.307
   39   HG22  VAL  82          HG22      VAL  82   6.056  10.911   1.181
   40   HG23  VAL  82          HG23      VAL  82   4.509  10.375   0.471
   41    H    LYS  83           H        LYS  83   6.792   8.190   4.367
   42    HA   LYS  83           HA       LYS  83   4.878   7.371   6.530
   43    HB2  LYS  83           HB2      LYS  83   7.808   6.682   6.029
   44    HB3  LYS  83           HB3      LYS  83   7.060   6.567   7.629
   45    HG2  LYS  83           HG2      LYS  83   5.371   5.007   6.804
   46    HG3  LYS  83           HG3      LYS  83   6.094   5.054   5.177
   47    HD2  LYS  83           HD2      LYS  83   8.169   4.090   5.995
   48    HD3  LYS  83           HD3      LYS  83   7.641   4.233   7.680
   49    HE2  LYS  83           HE2      LYS  83   5.864   2.614   7.360
   50    HE3  LYS  83           HE3      LYS  83   6.206   2.508   5.625
   51    HZ1  LYS  83           HZ1      LYS  83   8.146   1.690   7.768
   52    HZ2  LYS  83           HZ2      LYS  83   7.228   0.661   6.878
   53    HZ3  LYS  83           HZ3      LYS  83   8.387   1.554   6.155
   54    H    GLN  84           H        GLN  84   4.482   8.881   7.894
   55    HA   GLN  84           HA       GLN  84   6.309  11.167   8.461
   56    HB2  GLN  84           HB2      GLN  84   3.968  11.702   8.184
   57    HB3  GLN  84           HB3      GLN  84   3.469  10.366   9.208
   58    HG2  GLN  84           HG2      GLN  84   4.497  11.540  11.184
   59    HG3  GLN  84           HG3      GLN  84   4.893  12.905  10.121
   60   HE21  GLN  84          HE22      GLN  84   2.066  10.805  11.045
   61   HE22  GLN  84          HE21      GLN  84   0.925  12.149  11.088
   62    H    TYR  85           H        TYR  85   7.305  11.345  10.461
   63    HA   TYR  85           HA       TYR  85   6.954   9.167  12.484
   64    HB2  TYR  85           HB2      TYR  85   9.624  10.267  11.523
   65    HB3  TYR  85           HB3      TYR  85   9.401   9.174  12.861
   66    HD1  TYR  85           HD1      TYR  85   9.127   9.456   9.136
   67    HD2  TYR  85           HD2      TYR  85   9.363   6.836  12.552
   68    HE1  TYR  85           HE1      TYR  85   9.624   7.533   7.638
   69    HE2  TYR  85           HE2      TYR  85   9.900   4.922  11.062
   70    HH   TYR  85           HH       TYR  85  10.346   4.264   8.908
   71    H    LYS  86           H        LYS  86   7.350   9.847  14.606
   72    HA   LYS  86           HA       LYS  86   8.005  12.716  15.128
   73    HB2  LYS  86           HB2      LYS  86   5.557  12.375  15.311
   74    HB3  LYS  86           HB3      LYS  86   5.820  11.055  16.469
   75    HG2  LYS  86           HG2      LYS  86   6.750  12.584  18.112
   76    HG3  LYS  86           HG3      LYS  86   6.718  13.923  16.954
   77    HD2  LYS  86           HD2      LYS  86   4.234  13.763  16.856
   78    HD3  LYS  86           HD3      LYS  86   4.285  12.431  18.036
   79    HE2  LYS  86           HE2      LYS  86   5.374  13.940  19.692
   80    HE3  LYS  86           HE3      LYS  86   5.329  15.262  18.516
   81    HZ1  LYS  86           HZ1      LYS  86   2.917  13.910  19.639
   82    HZ2  LYS  86           HZ2      LYS  86   3.451  15.393  20.058
   83    HZ3  LYS  86           HZ3      LYS  86   2.887  15.132  18.550
   84    H    ASN  87           H        ASN  87   9.293  13.041  16.911
   85    HA   ASN  87           HA       ASN  87  10.408  10.571  18.221
   86    HB2  ASN  87           HB2      ASN  87  11.892  11.672  16.635
   87    HB3  ASN  87           HB3      ASN  87  11.826  13.165  17.570
   88   HD21  ASN  87          HD22      ASN  87  14.253  11.828  17.019
   89   HD22  ASN  87          HD21      ASN  87  14.839  11.140  18.530
   90    HA   PRO  88           HA       PRO  88   8.356  12.550  21.842
   91    HB2  PRO  88           HB2      PRO  88   9.339   9.856  22.821
   92    HB3  PRO  88           HB3      PRO  88   7.840  10.734  23.270
   93    HG2  PRO  88           HG2      PRO  88   7.745   8.746  21.439
   94    HG3  PRO  88           HG3      PRO  88   6.852  10.274  21.134
   95    HD2  PRO  88           HD2      PRO  88   9.498   9.376  19.993
   96    HD3  PRO  88           HD3      PRO  88   8.132  10.233  19.202
   97    H    HIS  89           H        HIS  89  11.666  11.281  21.504
   98    HA   HIS  89           HA       HIS  89  12.557  12.278  24.110
   99    HB2  HIS  89           HB2      HIS  89  14.194  11.270  21.744
  100    HB3  HIS  89           HB3      HIS  89  14.765  11.506  23.388
  101    HD1  HIS  89           HD1      HIS  89  13.645   9.795  25.292
  102    HD2  HIS  89           HD2      HIS  89  12.995   8.969  21.196
  103    HE1  HIS  89           HE1      HIS  89  12.794   7.370  25.170
  104    HE2  HIS  89           HE2      HIS  89  12.404   6.864  22.675
  105    H    THR  90           H        THR  90  12.253  13.733  20.957
  106    HA   THR  90           HA       THR  90  13.836  16.117  21.879
  107    HB   THR  90           HB       THR  90  14.557  16.438  19.605
  108    HG1  THR  90           HG1      THR  90  13.937  15.046  17.994
  109   HG21  THR  90          HG21      THR  90  14.881  13.467  20.198
  110   HG22  THR  90          HG22      THR  90  15.946  14.490  19.206
  111   HG23  THR  90          HG23      THR  90  15.861  14.747  20.958
  112    H    GLY  91           H        GLY  91  10.822  15.048  20.479
  113    HA2  GLY  91           HA2      GLY  91   8.832  16.299  20.406
  114    HA3  GLY  91           HA3      GLY  91   9.741  17.809  20.458
  115    H    GLU  92           H        GLU  92  11.387  16.047  18.186
  116    HA   GLU  92           HA       GLU  92  10.392  17.613  16.004
  117    HB2  GLU  92           HB2      GLU  92  12.492  15.501  16.409
  118    HB3  GLU  92           HB3      GLU  92  11.905  15.745  14.761
  119    HG2  GLU  92           HG2      GLU  92  12.373  17.956  14.678
  120    HG3  GLU  92           HG3      GLU  92  12.754  18.076  16.421
  121    H    VAL  93           H        VAL  93   9.493  17.080  14.070
  122    HA   VAL  93           HA       VAL  93   8.345  14.381  13.602
  123    HB   VAL  93           HB       VAL  93   7.148  17.070  12.882
  124   HG11  VAL  93          HG11      VAL  93   5.987  14.258  12.613
  125   HG12  VAL  93          HG12      VAL  93   5.126  15.767  12.256
  126   HG13  VAL  93          HG13      VAL  93   6.511  15.292  11.266
  127   HG21  VAL  93          HG21      VAL  93   6.282  15.136  15.040
  128   HG22  VAL  93          HG22      VAL  93   6.965  16.773  15.255
  129   HG23  VAL  93          HG23      VAL  93   5.365  16.571  14.517
  130    H    ILE  94           H        ILE  94   8.615  13.636  11.534
  131    HA   ILE  94           HA       ILE  94   9.687  15.349   9.387
  132    HB   ILE  94           HB       ILE  94  11.443  13.687   8.813
  133   HG12  ILE  94          HG12      ILE  94  10.858  12.466  11.536
  134   HG13  ILE  94          HG13      ILE  94  10.503  11.728   9.975
  135   HG21  ILE  94          HG21      ILE  94  13.106  14.507  10.340
  136   HG22  ILE  94          HG22      ILE  94  11.926  15.787  10.062
  137   HG23  ILE  94          HG23      ILE  94  11.888  14.867  11.581
  138   HD11  ILE  94          HD11      ILE  94  13.301  12.339  11.019
  139   HD12  ILE  94          HD12      ILE  94  12.511  10.765  10.942
  140   HD13  ILE  94          HD13      ILE  94  12.894  11.611   9.436
  141    H    GLU  95           H        GLU  95   9.697  14.256   7.350
  142    HA   GLU  95           HA       GLU  95   7.876  11.929   6.978
  143    HB2  GLU  95           HB2      GLU  95   7.664  14.682   5.684
  144    HB3  GLU  95           HB3      GLU  95   6.945  13.240   4.973
  145    HG2  GLU  95           HG2      GLU  95   5.452  12.932   6.825
  146    HG3  GLU  95           HG3      GLU  95   6.273  14.170   7.786
  147    H    THR  96           H        THR  96   8.511  10.553   5.434
  148    HA   THR  96           HA       THR  96  10.275  11.358   3.202
  149    HB   THR  96           HB       THR  96  11.977  10.840   4.754
  150    HG1  THR  96           HG1      THR  96  12.895   9.042   3.784
  151   HG21  THR  96          HG21      THR  96  12.129   8.705   6.001
  152   HG22  THR  96          HG22      THR  96  10.737   9.663   6.530
  153   HG23  THR  96          HG23      THR  96  10.494   8.267   5.450
  154    H    LYS  97           H        LYS  97  10.377   9.734   1.509
  155    HA   LYS  97           HA       LYS  97   7.987   7.941   1.366
  156    HB2  LYS  97           HB2      LYS  97  10.068   8.777  -0.697
  157    HB3  LYS  97           HB3      LYS  97   8.761   7.631  -1.011
  158    HG2  LYS  97           HG2      LYS  97   7.078   9.345  -0.402
  159    HG3  LYS  97           HG3      LYS  97   8.379  10.529  -0.156
  160    HD2  LYS  97           HD2      LYS  97   9.072  10.258  -2.532
  161    HD3  LYS  97           HD3      LYS  97   7.752   9.093  -2.776
  162    HE2  LYS  97           HE2      LYS  97   6.094  10.845  -2.150
  163    HE3  LYS  97           HE3      LYS  97   7.408  12.000  -1.887
  164    HZ1  LYS  97           HZ1      LYS  97   6.411  12.261  -4.097
  165    HZ2  LYS  97           HZ2      LYS  97   7.968  11.805  -4.257
  166    HZ3  LYS  97           HZ3      LYS  97   6.766  10.722  -4.505
  167    H    GLY  98           H        GLY  98  11.034   7.602   2.615
  168    HA2  GLY  98           HA2      GLY  98  11.502   5.445   3.633
  169    HA3  GLY  98           HA3      GLY  98  11.026   4.631   2.141
  170    H    GLY  99           H        GLY  99  12.862   7.320   1.257
  171    HA2  GLY  99           HA2      GLY  99  15.232   5.782   0.543
  172    HA3  GLY  99           HA3      GLY  99  14.975   7.511   0.332
  173    H    ASN 100           H        ASN 100  17.414   6.999   0.961
  174    HA   ASN 100           HA       ASN 100  18.062   6.726   3.758
  175    HB2  ASN 100           HB2      ASN 100  19.591   6.089   1.924
  176    HB3  ASN 100           HB3      ASN 100  19.700   7.776   1.416
  177   HD21  ASN 100          HD22      ASN 100  22.055   7.520   1.737
  178   HD22  ASN 100          HD21      ASN 100  22.690   7.648   3.371
  179    H    HIS 101           H        HIS 101  16.633   8.232   4.742
  180    HA   HIS 101           HA       HIS 101  17.251  11.141   4.515
  181    HB2  HIS 101           HB2      HIS 101  14.908  10.217   4.401
  182    HB3  HIS 101           HB3      HIS 101  15.044   9.715   6.078
  183    HD1  HIS 101           HD1      HIS 101  14.826  11.720   7.894
  184    HD2  HIS 101           HD2      HIS 101  14.740  12.848   3.834
  185    HE1  HIS 101           HE1      HIS 101  14.290  14.251   7.860
  186    HE2  HIS 101           HE2      HIS 101  14.176  14.908   5.361
  187    H    LYS 102           H        LYS 102  19.228  11.347   5.541
  188    HA   LYS 102           HA       LYS 102  20.386   9.930   7.523
  189    HB2  LYS 102           HB2      LYS 102  21.142  12.031   6.080
  190    HB3  LYS 102           HB3      LYS 102  20.804  12.938   7.536
  191    HG2  LYS 102           HG2      LYS 102  22.878  10.774   7.059
  192    HG3  LYS 102           HG3      LYS 102  23.128  12.469   7.455
  193    HD2  LYS 102           HD2      LYS 102  22.021  11.893   9.752
  194    HD3  LYS 102           HD3      LYS 102  22.256  10.201   9.266
  195    HE2  LYS 102           HE2      LYS 102  24.183  10.559  10.458
  196    HE3  LYS 102           HE3      LYS 102  24.744  10.914   8.820
  197    HZ1  LYS 102           HZ1      LYS 102  24.402  13.316   9.350
  198    HZ2  LYS 102           HZ2      LYS 102  23.876  12.920  10.863
  199    HZ3  LYS 102           HZ3      LYS 102  25.435  12.635  10.422
  200    H    THR 103           H        THR 103  18.318  12.755   8.355
  201    HA   THR 103           HA       THR 103  18.592  12.657  11.141
  202    HB   THR 103           HB       THR 103  16.027  13.301   9.625
  203    HG1  THR 103           HG1      THR 103  16.936  15.422   9.585
  204   HG21  THR 103          HG21      THR 103  15.650  14.948  11.421
  205   HG22  THR 103          HG22      THR 103  15.690  13.307  12.069
  206   HG23  THR 103          HG23      THR 103  17.103  14.368  12.271
  207    H    LEU 104           H        LEU 104  16.545  10.534   9.143
  208    HA   LEU 104           HA       LEU 104  15.146   9.313  11.432
  209    HB2  LEU 104           HB2      LEU 104  14.201   9.441   9.047
  210    HB3  LEU 104           HB3      LEU 104  15.480   8.338   8.543
  211    HG   LEU 104           HG       LEU 104  14.559   6.690  10.304
  212   HD11  LEU 104          HD11      LEU 104  12.213   6.986  10.939
  213   HD12  LEU 104          HD12      LEU 104  13.190   8.294  11.611
  214   HD13  LEU 104          HD13      LEU 104  12.172   8.574  10.172
  215   HD21  LEU 104          HD21      LEU 104  12.694   7.444   8.024
  216   HD22  LEU 104          HD22      LEU 104  14.169   6.461   7.857
  217   HD23  LEU 104          HD23      LEU 104  12.820   5.873   8.836
  218    H    LYS 105           H        LYS 105  17.921   8.514   9.256
  219    HA   LYS 105           HA       LYS 105  18.613   6.017  10.389
  220    HB2  LYS 105           HB2      LYS 105  19.553   7.293   8.317
  221    HB3  LYS 105           HB3      LYS 105  20.675   8.039   9.492
  222    HG2  LYS 105           HG2      LYS 105  21.469   5.790  10.144
  223    HG3  LYS 105           HG3      LYS 105  20.333   5.053   8.989
  224    HD2  LYS 105           HD2      LYS 105  21.511   6.181   7.112
  225    HD3  LYS 105           HD3      LYS 105  22.571   7.005   8.258
  226    HE2  LYS 105           HE2      LYS 105  23.829   5.212   7.359
  227    HE3  LYS 105           HE3      LYS 105  23.448   4.778   9.026
  228    HZ1  LYS 105           HZ1      LYS 105  22.012   3.752   6.616
  229    HZ2  LYS 105           HZ2      LYS 105  23.114   2.915   7.474
  230    HZ3  LYS 105           HZ3      LYS 105  21.688   3.301   8.158
  231    H    GLU 106           H        GLU 106  19.728   9.271  11.359
  232    HA   GLU 106           HA       GLU 106  21.215   8.426  13.596
  233    HB2  GLU 106           HB2      GLU 106  19.805  11.008  12.888
  234    HB3  GLU 106           HB3      GLU 106  20.404  10.790  14.535
  235    HG2  GLU 106           HG2      GLU 106  22.636  10.207  13.667
  236    HG3  GLU 106           HG3      GLU 106  22.039  10.479  12.009
  237    H    TRP 107           H        TRP 107  17.718   9.200  13.449
  238    HA   TRP 107           HA       TRP 107  17.226   8.665  16.211
  239    HB2  TRP 107           HB2      TRP 107  15.336   8.406  13.844
  240    HB3  TRP 107           HB3      TRP 107  14.859   8.360  15.534
  241    HD1  TRP 107           HD1      TRP 107  17.372  11.009  15.352
  242    HE1  TRP 107           HE1      TRP 107  16.327  13.322  15.136
  243    HE3  TRP 107           HE3      TRP 107  12.581   9.640  14.077
  244    HZ2  TRP 107           HZ2      TRP 107  13.807  14.448  14.448
  245    HZ3  TRP 107           HZ3      TRP 107  10.857  11.398  13.707
  246    HH2  TRP 107           HH2      TRP 107  11.471  13.822  13.886
  247    H    LYS 108           H        LYS 108  17.212   6.427  13.428
  248    HA   LYS 108           HA       LYS 108  16.340   4.071  14.888
  249    HB2  LYS 108           HB2      LYS 108  18.031   4.330  12.353
  250    HB3  LYS 108           HB3      LYS 108  17.313   2.810  12.967
  251    HG2  LYS 108           HG2      LYS 108  15.049   3.715  12.660
  252    HG3  LYS 108           HG3      LYS 108  15.674   5.264  12.203
  253    HD2  LYS 108           HD2      LYS 108  15.396   4.556  10.087
  254    HD3  LYS 108           HD3      LYS 108  16.938   3.727  10.315
  255    HE2  LYS 108           HE2      LYS 108  15.669   1.689  11.055
  256    HE3  LYS 108           HE3      LYS 108  14.143   2.558  10.791
  257    HZ1  LYS 108           HZ1      LYS 108  14.728   2.715   8.411
  258    HZ2  LYS 108           HZ2      LYS 108  16.145   1.931   8.653
  259    HZ3  LYS 108           HZ3      LYS 108  14.728   1.151   8.867
  260    H    ALA 109           H        ALA 109  19.549   5.461  14.295
  261    HA   ALA 109           HA       ALA 109  21.009   3.348  15.632
  262    HB1  ALA 109           HB1      ALA 109  22.003   4.879  13.958
  263    HB2  ALA 109           HB2      ALA 109  21.760   6.251  15.061
  264    HB3  ALA 109           HB3      ALA 109  22.881   4.950  15.504
  265    H    LYS 110           H        LYS 110  19.694   6.470  16.733
  266    HA   LYS 110           HA       LYS 110  20.883   6.319  19.390
  267    HB2  LYS 110           HB2      LYS 110  18.827   8.154  18.130
  268    HB3  LYS 110           HB3      LYS 110  19.410   8.359  19.787
  269    HG2  LYS 110           HG2      LYS 110  21.681   8.727  19.053
  270    HG3  LYS 110           HG3      LYS 110  21.292   8.288  17.392
  271    HD2  LYS 110           HD2      LYS 110  19.656  10.252  17.355
  272    HD3  LYS 110           HD3      LYS 110  20.348  10.747  18.918
  273    HE2  LYS 110           HE2      LYS 110  22.622  10.786  17.821
  274    HE3  LYS 110           HE3      LYS 110  21.857  10.376  16.280
  275    HZ1  LYS 110           HZ1      LYS 110  20.478  12.523  16.730
  276    HZ2  LYS 110           HZ2      LYS 110  21.666  12.920  17.788
  277    HZ3  LYS 110           HZ3      LYS 110  21.997  12.674  16.183
  278    H    TRP 111           H        TRP 111  17.637   5.576  18.195
  279    HA   TRP 111           HA       TRP 111  16.850   4.685  20.950
  280    HB2  TRP 111           HB2      TRP 111  15.212   6.119  18.821
  281    HB3  TRP 111           HB3      TRP 111  14.564   5.474  20.324
  282    HD1  TRP 111           HD1      TRP 111  15.827   6.394  22.644
  283    HE1  TRP 111           HE1      TRP 111  16.697   8.728  23.251
  284    HE3  TRP 111           HE3      TRP 111  15.952   8.440  17.970
  285    HZ2  TRP 111           HZ2      TRP 111  17.534  11.115  21.860
  286    HZ3  TRP 111           HZ3      TRP 111  16.884  10.735  17.631
  287    HH2  TRP 111           HH2      TRP 111  17.646  12.080  19.561
  288    H    GLY 112           H        GLY 112  17.372   3.422  17.894
  289    HA2  GLY 112           HA2      GLY 112  17.352   1.075  17.627
  290    HA3  GLY 112           HA3      GLY 112  15.910   0.923  18.617
  291    HA   PRO 113           HA       PRO 113  15.006   1.918  13.939
  292    HB2  PRO 113           HB2      PRO 113  15.223  -0.560  12.650
  293    HB3  PRO 113           HB3      PRO 113  16.449   0.738  12.646
  294    HG2  PRO 113           HG2      PRO 113  16.344  -1.698  14.388
  295    HG3  PRO 113           HG3      PRO 113  17.762  -0.916  13.577
  296    HD2  PRO 113           HD2      PRO 113  17.243  -0.579  16.211
  297    HD3  PRO 113           HD3      PRO 113  17.890   0.747  15.192
  298    H    GLU 114           H        GLU 114  14.192  -1.036  15.805
  299    HA   GLU 114           HA       GLU 114  11.602  -1.413  14.661
  300    HB2  GLU 114           HB2      GLU 114  12.794  -2.252  17.332
  301    HB3  GLU 114           HB3      GLU 114  11.212  -2.787  16.735
  302    HG2  GLU 114           HG2      GLU 114  12.306  -3.770  14.726
  303    HG3  GLU 114           HG3      GLU 114  13.884  -3.311  15.363
  304    H    ALA 115           H        ALA 115  12.744   0.422  17.468
  305    HA   ALA 115           HA       ALA 115  10.148   1.283  18.417
  306    HB1  ALA 115           HB1      ALA 115  12.168   1.351  19.824
  307    HB2  ALA 115           HB2      ALA 115  12.914   2.527  18.722
  308    HB3  ALA 115           HB3      ALA 115  11.476   2.981  19.655
  309    H    VAL 116           H        VAL 116  12.604   2.840  16.291
  310    HA   VAL 116           HA       VAL 116  11.040   5.156  15.713
  311    HB   VAL 116           HB       VAL 116  13.287   3.852  14.152
  312   HG11  VAL 116          HG11      VAL 116  12.056   5.332  12.629
  313   HG12  VAL 116          HG12      VAL 116  12.044   6.625  13.850
  314   HG13  VAL 116          HG13      VAL 116  13.570   6.109  13.107
  315   HG21  VAL 116          HG21      VAL 116  13.907   4.663  16.465
  316   HG22  VAL 116          HG22      VAL 116  14.629   5.636  15.191
  317   HG23  VAL 116          HG23      VAL 116  13.223   6.230  16.070
  318    H    GLU 117           H        GLU 117  11.155   1.995  13.906
  319    HA   GLU 117           HA       GLU 117   9.237   2.923  11.941
  320    HB2  GLU 117           HB2      GLU 117  10.089   0.152  12.885
  321    HB3  GLU 117           HB3      GLU 117   8.804   0.380  11.704
  322    HG2  GLU 117           HG2      GLU 117  11.673   1.332  11.374
  323    HG3  GLU 117           HG3      GLU 117  10.956  -0.077  10.604
  324    H    SER 118           H        SER 118   8.884   1.702  15.241
  325    HA   SER 118           HA       SER 118   5.981   1.387  15.111
  326    HB2  SER 118           HB2      SER 118   7.639   1.897  17.580
  327    HB3  SER 118           HB3      SER 118   5.966   1.344  17.461
  328    HG   SER 118           HG       SER 118   8.282  -0.042  16.544
  329    H    TRP 119           H        TRP 119   8.121   4.187  15.427
  330    HA   TRP 119           HA       TRP 119   5.979   6.037  16.188
  331    HB2  TRP 119           HB2      TRP 119   8.605   6.739  14.854
  332    HB3  TRP 119           HB3      TRP 119   7.533   7.788  15.732
  333    HD1  TRP 119           HD1      TRP 119   7.481   5.367  18.190
  334    HE1  TRP 119           HE1      TRP 119   9.392   5.487  19.879
  335    HE3  TRP 119           HE3      TRP 119  10.740   8.357  15.544
  336    HZ2  TRP 119           HZ2      TRP 119  12.000   6.682  20.064
  337    HZ3  TRP 119           HZ3      TRP 119  12.869   9.069  16.585
  338    HH2  TRP 119           HH2      TRP 119  13.526   8.227  18.820
  339    H    ALA 120           H        ALA 120   6.771   4.444  13.211
  340    HA   ALA 120           HA       ALA 120   6.290   6.582  11.409
  341    HB1  ALA 120           HB1      ALA 120   7.501   4.422  10.894
  342    HB2  ALA 120           HB2      ALA 120   5.913   3.631  10.806
  343    HB3  ALA 120           HB3      ALA 120   6.322   4.937   9.678
  344    H    THR 121           H        THR 121   4.546   7.214  10.222
  345    HA   THR 121           HA       THR 121   1.961   5.731  10.298
  346    HB   THR 121           HB       THR 121   0.901   8.123  10.214
  347    HG1  THR 121           HG1      THR 121   3.264   8.655  11.703
  348   HG21  THR 121          HG21      THR 121   1.940   7.058  12.862
  349   HG22  THR 121          HG22      THR 121   0.607   8.212  12.636
  350   HG23  THR 121          HG23      THR 121   0.446   6.556  12.031
  351    H    LEU 122           H        LEU 122   1.423   5.180   8.404
  352    HA   LEU 122           HA       LEU 122   2.551   6.314   5.964
  353    HB2  LEU 122           HB2      LEU 122   0.464   4.224   6.692
  354    HB3  LEU 122           HB3      LEU 122   0.748   4.665   5.004
  355    HG   LEU 122           HG       LEU 122   2.993   3.710   6.838
  356   HD11  LEU 122          HD11      LEU 122   2.716   1.488   5.760
  357   HD12  LEU 122          HD12      LEU 122   1.283   1.938   6.691
  358   HD13  LEU 122          HD13      LEU 122   1.262   2.076   4.923
  359   HD21  LEU 122          HD21      LEU 122   2.684   3.794   3.788
  360   HD22  LEU 122          HD22      LEU 122   3.681   4.906   4.737
  361   HD23  LEU 122          HD23      LEU 122   4.098   3.185   4.667
  362    H    LEU 123           H        LEU 123   1.829   8.079   4.934
  363    HA   LEU 123           HA       LEU 123  -0.696   9.345   5.761
  364    HB2  LEU 123           HB2      LEU 123   1.410  10.279   3.779
  365    HB3  LEU 123           HB3      LEU 123   0.086  11.236   4.431
  366    HG   LEU 123           HG       LEU 123   2.544  10.235   5.923
  367   HD11  LEU 123          HD11      LEU 123   2.935  12.614   6.266
  368   HD12  LEU 123          HD12      LEU 123   2.729  12.294   4.537
  369   HD13  LEU 123          HD13      LEU 123   1.407  13.024   5.465
  370   HD21  LEU 123          HD21      LEU 123   0.033  11.562   7.049
  371   HD22  LEU 123          HD22      LEU 123   0.716   9.979   7.513
  372   HD23  LEU 123          HD23      LEU 123   1.580  11.468   7.907
  373    H    GLY 124           H        GLY 124  -1.457   7.072   4.694
  374    HA2  GLY 124           HA2      GLY 124  -2.000   7.245   1.800
  375    HA3  GLY 124           HA3      GLY 124  -2.384   5.907   2.886
  376    H    HIS 125           H        HIS 125  -3.645   8.489   4.468
  377    HA   HIS 125           HA       HIS 125  -6.168   8.795   2.980
  378    HB2  HIS 125           HB2      HIS 125  -6.465   6.778   4.194
  379    HB3  HIS 125           HB3      HIS 125  -6.090   7.566   5.735
  380    HD1  HIS 125           HD1      HIS 125  -8.131  10.115   4.487
  381    HD2  HIS 125           HD2      HIS 125  -8.829   6.071   5.462
  382    HE1  HIS 125           HE1      HIS 125 -10.683   9.893   4.908
  383    HE2  HIS 125           HE2      HIS 125 -11.090   7.418   5.511
  Start of MODEL   19
    1    H    ALA  79           H1       ALA  79   2.078   0.805  -0.816
    2    HA   ALA  79           HA       ALA  79   3.267   1.083  -3.507
    3    HB1  ALA  79           HB1      ALA  79   0.821   1.554  -3.543
    4    HB2  ALA  79           HB2      ALA  79   1.031   2.754  -2.249
    5    HB3  ALA  79           HB3      ALA  79   1.767   3.018  -3.838
    6    H    ARG  80           H        ARG  80   4.125   3.410  -3.799
    7    HA   ARG  80           HA       ARG  80   6.189   3.878  -1.783
    8    HB2  ARG  80           HB2      ARG  80   5.639   5.252  -4.418
    9    HB3  ARG  80           HB3      ARG  80   7.053   5.471  -3.359
   10    HG2  ARG  80           HG2      ARG  80   7.555   3.056  -3.504
   11    HG3  ARG  80           HG3      ARG  80   6.242   2.850  -4.676
   12    HD2  ARG  80           HD2      ARG  80   7.337   4.450  -6.209
   13    HD3  ARG  80           HD3      ARG  80   8.658   4.673  -5.041
   14    HE   ARG  80           HE       ARG  80   8.437   1.897  -5.571
   15   HH11  ARG  80          HH21      ARG  80   9.382   4.757  -7.362
   16   HH12  ARG  80          HH22      ARG  80  10.453   3.862  -8.406
   17   HH21  ARG  80          HH11      ARG  80   9.803   0.811  -6.953
   18   HH22  ARG  80          HH12      ARG  80  10.675   1.681  -8.176
   19    H    LYS  81           H        LYS  81   3.706   4.407  -0.616
   20    HA   LYS  81           HA       LYS  81   3.036   7.247  -0.479
   21    HB2  LYS  81           HB2      LYS  81   2.355   4.774   1.172
   22    HB3  LYS  81           HB3      LYS  81   1.884   6.399   1.712
   23    HG2  LYS  81           HG2      LYS  81   0.640   6.785  -0.367
   24    HG3  LYS  81           HG3      LYS  81   1.128   5.194  -0.984
   25    HD2  LYS  81           HD2      LYS  81  -0.065   4.089   0.880
   26    HD3  LYS  81           HD3      LYS  81  -0.538   5.673   1.530
   27    HE2  LYS  81           HE2      LYS  81  -1.746   6.177  -0.587
   28    HE3  LYS  81           HE3      LYS  81  -1.281   4.608  -1.239
   29    HZ1  LYS  81           HZ1      LYS  81  -2.569   3.550   0.557
   30    HZ2  LYS  81           HZ2      LYS  81  -2.999   5.006   1.169
   31    HZ3  LYS  81           HZ3      LYS  81  -3.531   4.544  -0.302
   32    H    VAL  82           H        VAL  82   3.279   8.610   1.245
   33    HA   VAL  82           HA       VAL  82   5.978   8.776   2.354
   34    HB   VAL  82           HB       VAL  82   3.468  10.458   2.752
   35   HG11  VAL  82          HG11      VAL  82   5.020  12.218   3.649
   36   HG12  VAL  82          HG12      VAL  82   4.830  10.843   4.729
   37   HG13  VAL  82          HG13      VAL  82   6.307  11.004   3.736
   38   HG21  VAL  82          HG21      VAL  82   4.623  12.079   1.301
   39   HG22  VAL  82          HG22      VAL  82   6.021  11.002   1.177
   40   HG23  VAL  82          HG23      VAL  82   4.464  10.532   0.459
   41    H    LYS  83           H        LYS  83   6.672   8.364   4.365
   42    HA   LYS  83           HA       LYS  83   4.732   7.546   6.509
   43    HB2  LYS  83           HB2      LYS  83   7.612   6.707   5.978
   44    HB3  LYS  83           HB3      LYS  83   6.869   6.588   7.584
   45    HG2  LYS  83           HG2      LYS  83   5.089   5.151   6.725
   46    HG3  LYS  83           HG3      LYS  83   5.784   5.225   5.089
   47    HD2  LYS  83           HD2      LYS  83   7.785   4.075   5.796
   48    HD3  LYS  83           HD3      LYS  83   7.360   4.229   7.510
   49    HE2  LYS  83           HE2      LYS  83   5.429   2.767   7.239
   50    HE3  LYS  83           HE3      LYS  83   5.710   2.652   5.490
   51    HZ1  LYS  83           HZ1      LYS  83   6.607   0.712   6.662
   52    HZ2  LYS  83           HZ2      LYS  83   7.827   1.530   5.956
   53    HZ3  LYS  83           HZ3      LYS  83   7.595   1.639   7.574
   54    H    GLN  84           H        GLN  84   4.439   9.015   7.957
   55    HA   GLN  84           HA       GLN  84   6.390  11.197   8.504
   56    HB2  GLN  84           HB2      GLN  84   3.951  11.681   8.259
   57    HB3  GLN  84           HB3      GLN  84   3.608  10.603   9.604
   58    HG2  GLN  84           HG2      GLN  84   4.916  12.100  11.113
   59    HG3  GLN  84           HG3      GLN  84   5.289  13.154   9.746
   60   HE21  GLN  84          HE22      GLN  84   3.491  14.501   8.823
   61   HE22  GLN  84          HE21      GLN  84   2.036  14.695   9.788
   62    H    TYR  85           H        TYR  85   7.383  11.356  10.511
   63    HA   TYR  85           HA       TYR  85   7.054   9.147  12.503
   64    HB2  TYR  85           HB2      TYR  85   9.690  10.243  11.445
   65    HB3  TYR  85           HB3      TYR  85   9.532   9.207  12.835
   66    HD1  TYR  85           HD2      TYR  85   9.110   9.313   9.116
   67    HD2  TYR  85           HD1      TYR  85   9.511   6.852  12.641
   68    HE1  TYR  85           HE2      TYR  85   9.515   7.327   7.688
   69    HE2  TYR  85           HE1      TYR  85   9.948   4.873  11.208
   70    HH   TYR  85           HH       TYR  85  10.020   5.056   7.632
   71    H    LYS  86           H        LYS  86   7.373   9.834  14.637
   72    HA   LYS  86           HA       LYS  86   8.049  12.705  15.124
   73    HB2  LYS  86           HB2      LYS  86   5.601  12.369  15.263
   74    HB3  LYS  86           HB3      LYS  86   5.845  11.078  16.468
   75    HG2  LYS  86           HG2      LYS  86   6.771  12.682  18.066
   76    HG3  LYS  86           HG3      LYS  86   6.686  13.980  16.863
   77    HD2  LYS  86           HD2      LYS  86   4.206  13.732  16.784
   78    HD3  LYS  86           HD3      LYS  86   4.309  12.442  18.004
   79    HE2  LYS  86           HE2      LYS  86   5.345  14.041  19.604
   80    HE3  LYS  86           HE3      LYS  86   5.252  15.323  18.388
   81    HZ1  LYS  86           HZ1      LYS  86   2.810  15.099  18.436
   82    HZ2  LYS  86           HZ2      LYS  86   2.894  13.914  19.558
   83    HZ3  LYS  86           HZ3      LYS  86   3.364  15.430  19.930
   84    H    ASN  87           H        ASN  87   9.394  13.066  16.799
   85    HA   ASN  87           HA       ASN  87  10.441  10.690  18.302
   86    HB2  ASN  87           HB2      ASN  87  11.969  11.653  16.647
   87    HB3  ASN  87           HB3      ASN  87  11.948  13.192  17.507
   88   HD21  ASN  87          HD22      ASN  87  14.364  12.094  17.181
   89   HD22  ASN  87          HD21      ASN  87  14.914  11.317  18.661
   90    HA   PRO  88           HA       PRO  88   8.369  13.324  21.442
   91    HB2  PRO  88           HB2      PRO  88   8.026  11.347  23.372
   92    HB3  PRO  88           HB3      PRO  88   6.913  11.690  22.017
   93    HG2  PRO  88           HG2      PRO  88   9.099   9.601  22.153
   94    HG3  PRO  88           HG3      PRO  88   7.410   9.406  21.583
   95    HD2  PRO  88           HD2      PRO  88   9.430   9.749  19.842
   96    HD3  PRO  88           HD3      PRO  88   7.864  10.578  19.557
   97    H    HIS  89           H        HIS  89  11.426  11.690  21.620
   98    HA   HIS  89           HA       HIS  89  12.304  12.660  24.193
   99    HB2  HIS  89           HB2      HIS  89  13.992  12.068  21.720
  100    HB3  HIS  89           HB3      HIS  89  14.555  12.164  23.387
  101    HD1  HIS  89           HD1      HIS  89  13.040   9.740  20.959
  102    HD2  HIS  89           HD2      HIS  89  13.578  10.196  25.127
  103    HE1  HIS  89           HE1      HIS  89  12.575   7.416  22.031
  104    HE2  HIS  89           HE2      HIS  89  12.917   7.715  24.565
  105    H    THR  90           H        THR  90  12.119  14.223  21.032
  106    HA   THR  90           HA       THR  90  13.188  16.771  22.208
  107    HB   THR  90           HB       THR  90  14.036  17.306  19.996
  108    HG1  THR  90           HG1      THR  90  13.838  15.923  18.327
  109   HG21  THR  90          HG21      THR  90  14.844  14.435  20.633
  110   HG22  THR  90          HG22      THR  90  15.792  15.645  19.740
  111   HG23  THR  90          HG23      THR  90  15.492  15.871  21.470
  112    H    GLY  91           H        GLY  91  10.513  15.312  20.529
  113    HA2  GLY  91           HA2      GLY  91   8.364  16.292  20.262
  114    HA3  GLY  91           HA3      GLY  91   9.062  17.909  20.368
  115    H    GLU  92           H        GLU  92  11.111  16.223  18.334
  116    HA   GLU  92           HA       GLU  92  10.350  17.630  15.988
  117    HB2  GLU  92           HB2      GLU  92  12.293  15.452  16.714
  118    HB3  GLU  92           HB3      GLU  92  11.880  15.594  15.020
  119    HG2  GLU  92           HG2      GLU  92  12.569  17.703  14.749
  120    HG3  GLU  92           HG3      GLU  92  12.581  18.094  16.491
  121    H    VAL  93           H        VAL  93   9.565  17.062  14.035
  122    HA   VAL  93           HA       VAL  93   8.417  14.372  13.560
  123    HB   VAL  93           HB       VAL  93   7.257  17.044  12.741
  124   HG11  VAL  93          HG11      VAL  93   6.661  15.237  11.144
  125   HG12  VAL  93          HG12      VAL  93   6.107  14.221  12.501
  126   HG13  VAL  93          HG13      VAL  93   5.242  15.717  12.077
  127   HG21  VAL  93          HG21      VAL  93   5.401  16.572  14.319
  128   HG22  VAL  93          HG22      VAL  93   6.305  15.153  14.903
  129   HG23  VAL  93          HG23      VAL  93   6.973  16.798  15.111
  130    H    ILE  94           H        ILE  94   8.768  13.597  11.513
  131    HA   ILE  94           HA       ILE  94   9.858  15.302   9.368
  132    HB   ILE  94           HB       ILE  94  11.579  13.622   8.774
  133   HG12  ILE  94          HG12      ILE  94  10.960  12.360  11.466
  134   HG13  ILE  94          HG13      ILE  94  10.636  11.654   9.886
  135   HG21  ILE  94          HG21      ILE  94  12.058  14.762  11.547
  136   HG22  ILE  94          HG22      ILE  94  13.266  14.388  10.301
  137   HG23  ILE  94          HG23      ILE  94  12.112  15.691  10.034
  138   HD11  ILE  94          HD11      ILE  94  12.600  10.640  10.854
  139   HD12  ILE  94          HD12      ILE  94  13.043  11.548   9.399
  140   HD13  ILE  94          HD13      ILE  94  13.402  12.202  11.028
  141    H    GLU  95           H        GLU  95   9.823  14.225   7.327
  142    HA   GLU  95           HA       GLU  95   7.972  11.921   6.980
  143    HB2  GLU  95           HB2      GLU  95   7.663  14.708   5.818
  144    HB3  GLU  95           HB3      GLU  95   6.985  13.289   5.000
  145    HG2  GLU  95           HG2      GLU  95   5.595  12.740   6.881
  146    HG3  GLU  95           HG3      GLU  95   6.370  13.964   7.888
  147    H    THR  96           H        THR  96   8.527  10.562   5.409
  148    HA   THR  96           HA       THR  96  10.236  11.350   3.134
  149    HB   THR  96           HB       THR  96  11.969  10.832   4.653
  150    HG1  THR  96           HG1      THR  96  12.881   9.073   3.645
  151   HG21  THR  96          HG21      THR  96  12.150   8.658   5.864
  152   HG22  THR  96          HG22      THR  96  10.836   9.669   6.475
  153   HG23  THR  96          HG23      THR  96  10.473   8.285   5.412
  154    H    LYS  97           H        LYS  97  10.319   9.670   1.466
  155    HA   LYS  97           HA       LYS  97   7.897   7.914   1.402
  156    HB2  LYS  97           HB2      LYS  97   9.940   8.691  -0.724
  157    HB3  LYS  97           HB3      LYS  97   8.610   7.548  -0.986
  158    HG2  LYS  97           HG2      LYS  97   6.966   9.283  -0.344
  159    HG3  LYS  97           HG3      LYS  97   8.270  10.470  -0.178
  160    HD2  LYS  97           HD2      LYS  97   7.531   8.984  -2.745
  161    HD3  LYS  97           HD3      LYS  97   7.029  10.627  -2.326
  162    HE2  LYS  97           HE2      LYS  97   9.435  11.318  -2.219
  163    HE3  LYS  97           HE3      LYS  97   9.912   9.693  -2.720
  164    HZ1  LYS  97           HZ1      LYS  97   8.239  11.549  -4.342
  165    HZ2  LYS  97           HZ2      LYS  97   9.812  11.214  -4.618
  166    HZ3  LYS  97           HZ3      LYS  97   8.688  10.048  -4.809
  167    H    GLY  98           H        GLY  98  10.963   7.574   2.598
  168    HA2  GLY  98           HA2      GLY  98  11.433   5.415   3.639
  169    HA3  GLY  98           HA3      GLY  98  10.964   4.598   2.153
  170    H    GLY  99           H        GLY  99  12.786   7.322   1.304
  171    HA2  GLY  99           HA2      GLY  99  15.121   5.773   0.518
  172    HA3  GLY  99           HA3      GLY  99  14.873   7.503   0.310
  173    H    ASN 100           H        ASN 100  17.317   6.985   0.871
  174    HA   ASN 100           HA       ASN 100  18.079   6.718   3.634
  175    HB2  ASN 100           HB2      ASN 100  19.535   6.118   1.728
  176    HB3  ASN 100           HB3      ASN 100  19.602   7.812   1.235
  177   HD21  ASN 100          HD22      ASN 100  21.955   7.664   1.448
  178   HD22  ASN 100          HD21      ASN 100  22.675   7.744   3.049
  179    H    HIS 101           H        HIS 101  16.689   8.192   4.703
  180    HA   HIS 101           HA       HIS 101  17.283  11.113   4.449
  181    HB2  HIS 101           HB2      HIS 101  14.940  10.207   4.285
  182    HB3  HIS 101           HB3      HIS 101  15.041   9.711   5.975
  183    HD1  HIS 101           HD1      HIS 101  14.934  11.761   7.778
  184    HD2  HIS 101           HD2      HIS 101  14.732  12.822   3.705
  185    HE1  HIS 101           HE1      HIS 101  14.448  14.304   7.723
  186    HE2  HIS 101           HE2      HIS 101  14.257  14.915   5.219
  187    H    LYS 102           H        LYS 102  19.229  11.330   5.535
  188    HA   LYS 102           HA       LYS 102  20.321   9.918   7.562
  189    HB2  LYS 102           HB2      LYS 102  21.450  11.644   6.220
  190    HB3  LYS 102           HB3      LYS 102  20.622  12.919   7.104
  191    HG2  LYS 102           HG2      LYS 102  22.900  12.729   7.844
  192    HG3  LYS 102           HG3      LYS 102  21.822  12.311   9.172
  193    HD2  LYS 102           HD2      LYS 102  22.258   9.906   8.805
  194    HD3  LYS 102           HD3      LYS 102  23.280  10.272   7.407
  195    HE2  LYS 102           HE2      LYS 102  23.821  11.223  10.267
  196    HE3  LYS 102           HE3      LYS 102  24.491   9.742   9.573
  197    HZ1  LYS 102           HZ1      LYS 102  25.038  12.497   8.563
  198    HZ2  LYS 102           HZ2      LYS 102  26.083  11.539   9.370
  199    HZ3  LYS 102           HZ3      LYS 102  25.603  11.122   7.868
  200    H    THR 103           H        THR 103  18.198  12.724   8.314
  201    HA   THR 103           HA       THR 103  18.440  12.657  11.112
  202    HB   THR 103           HB       THR 103  15.792  13.154   9.696
  203    HG1  THR 103           HG1      THR 103  17.901  15.035   9.909
  204   HG21  THR 103          HG21      THR 103  17.092  14.487  12.104
  205   HG22  THR 103          HG22      THR 103  15.574  14.998  11.336
  206   HG23  THR 103          HG23      THR 103  15.675  13.413  12.118
  207    H    LEU 104           H        LEU 104  16.497  10.475   9.078
  208    HA   LEU 104           HA       LEU 104  15.031   9.279  11.335
  209    HB2  LEU 104           HB2      LEU 104  14.102   9.371   8.994
  210    HB3  LEU 104           HB3      LEU 104  15.442   8.375   8.432
  211    HG   LEU 104           HG       LEU 104  14.660   6.518   9.911
  212   HD11  LEU 104          HD11      LEU 104  12.232   8.314  10.369
  213   HD12  LEU 104          HD12      LEU 104  12.386   6.609  10.834
  214   HD13  LEU 104          HD13      LEU 104  13.408   7.814  11.618
  215   HD21  LEU 104          HD21      LEU 104  13.978   6.662   7.529
  216   HD22  LEU 104          HD22      LEU 104  12.741   5.896   8.541
  217   HD23  LEU 104          HD23      LEU 104  12.532   7.580   8.016
  218    H    LYS 105           H        LYS 105  17.831   8.433   9.218
  219    HA   LYS 105           HA       LYS 105  18.515   5.975  10.426
  220    HB2  LYS 105           HB2      LYS 105  19.472   7.194   8.314
  221    HB3  LYS 105           HB3      LYS 105  20.608   7.950   9.476
  222    HG2  LYS 105           HG2      LYS 105  21.356   5.697  10.184
  223    HG3  LYS 105           HG3      LYS 105  20.189   4.951   9.073
  224    HD2  LYS 105           HD2      LYS 105  21.353   6.000   7.144
  225    HD3  LYS 105           HD3      LYS 105  22.523   6.743   8.257
  226    HE2  LYS 105           HE2      LYS 105  23.207   4.476   9.045
  227    HE3  LYS 105           HE3      LYS 105  22.037   3.742   7.942
  228    HZ1  LYS 105           HZ1      LYS 105  24.271   3.769   6.978
  229    HZ2  LYS 105           HZ2      LYS 105  23.290   4.711   6.073
  230    HZ3  LYS 105           HZ3      LYS 105  24.375   5.389   7.099
  231    H    GLU 106           H        GLU 106  19.575   9.258  11.332
  232    HA   GLU 106           HA       GLU 106  21.141   8.531  13.553
  233    HB2  GLU 106           HB2      GLU 106  19.530  11.000  12.855
  234    HB3  GLU 106           HB3      GLU 106  20.236  10.857  14.468
  235    HG2  GLU 106           HG2      GLU 106  22.453  10.501  13.533
  236    HG3  GLU 106           HG3      GLU 106  21.800  10.619  11.877
  237    H    TRP 107           H        TRP 107  17.609   9.181  13.453
  238    HA   TRP 107           HA       TRP 107  17.187   8.656  16.227
  239    HB2  TRP 107           HB2      TRP 107  15.255   8.368  13.901
  240    HB3  TRP 107           HB3      TRP 107  14.811   8.333  15.592
  241    HD1  TRP 107           HD1      TRP 107  17.291  10.993  15.398
  242    HE1  TRP 107           HE1      TRP 107  16.245  13.304  15.157
  243    HE3  TRP 107           HE3      TRP 107  12.533   9.602  14.067
  244    HZ2  TRP 107           HZ2      TRP 107  13.737  14.420  14.408
  245    HZ3  TRP 107           HZ3      TRP 107  10.811  11.351  13.648
  246    HH2  TRP 107           HH2      TRP 107  11.412  13.771  13.801
  247    H    LYS 108           H        LYS 108  17.150   6.404  13.449
  248    HA   LYS 108           HA       LYS 108  16.345   4.044  14.947
  249    HB2  LYS 108           HB2      LYS 108  18.017   4.279  12.400
  250    HB3  LYS 108           HB3      LYS 108  17.320   2.771  13.043
  251    HG2  LYS 108           HG2      LYS 108  15.033   3.767  12.805
  252    HG3  LYS 108           HG3      LYS 108  15.733   5.204  12.109
  253    HD2  LYS 108           HD2      LYS 108  15.441   4.249  10.101
  254    HD3  LYS 108           HD3      LYS 108  16.843   3.239  10.487
  255    HE2  LYS 108           HE2      LYS 108  15.272   1.594  11.571
  256    HE3  LYS 108           HE3      LYS 108  13.907   2.602  11.069
  257    HZ1  LYS 108           HZ1      LYS 108  14.230   0.798   9.525
  258    HZ2  LYS 108           HZ2      LYS 108  14.577   2.192   8.732
  259    HZ3  LYS 108           HZ3      LYS 108  15.794   1.209   9.220
  260    H    ALA 109           H        ALA 109  19.524   5.483  14.291
  261    HA   ALA 109           HA       ALA 109  21.049   3.430  15.640
  262    HB1  ALA 109           HB1      ALA 109  21.990   4.949  13.951
  263    HB2  ALA 109           HB2      ALA 109  21.710   6.345  15.014
  264    HB3  ALA 109           HB3      ALA 109  22.874   5.087  15.486
  265    H    LYS 110           H        LYS 110  19.667   6.525  16.722
  266    HA   LYS 110           HA       LYS 110  20.885   6.429  19.372
  267    HB2  LYS 110           HB2      LYS 110  18.831   8.232  18.071
  268    HB3  LYS 110           HB3      LYS 110  19.402   8.473  19.730
  269    HG2  LYS 110           HG2      LYS 110  21.667   8.839  19.009
  270    HG3  LYS 110           HG3      LYS 110  21.309   8.358  17.347
  271    HD2  LYS 110           HD2      LYS 110  19.664  10.285  17.223
  272    HD3  LYS 110           HD3      LYS 110  20.250  10.830  18.798
  273    HE2  LYS 110           HE2      LYS 110  21.925  10.537  16.236
  274    HE3  LYS 110           HE3      LYS 110  21.252  12.039  16.869
  275    HZ1  LYS 110           HZ1      LYS 110  23.306  10.386  18.271
  276    HZ2  LYS 110           HZ2      LYS 110  23.560  11.819  17.536
  277    HZ3  LYS 110           HZ3      LYS 110  22.638  11.756  18.876
  278    H    TRP 111           H        TRP 111  17.643   5.605  18.223
  279    HA   TRP 111           HA       TRP 111  16.904   4.768  21.014
  280    HB2  TRP 111           HB2      TRP 111  15.217   6.167  18.911
  281    HB3  TRP 111           HB3      TRP 111  14.597   5.511  20.420
  282    HD1  TRP 111           HD1      TRP 111  15.774   6.491  22.735
  283    HE1  TRP 111           HE1      TRP 111  16.580   8.856  23.326
  284    HE3  TRP 111           HE3      TRP 111  16.009   8.443  18.036
  285    HZ2  TRP 111           HZ2      TRP 111  17.394  11.243  21.914
  286    HZ3  TRP 111           HZ3      TRP 111  16.923  10.742  17.669
  287    HH2  TRP 111           HH2      TRP 111  17.603  12.144  19.595
  288    H    GLY 112           H        GLY 112  17.397   3.446  17.973
  289    HA2  GLY 112           HA2      GLY 112  17.360   1.086  17.786
  290    HA3  GLY 112           HA3      GLY 112  15.908   0.976  18.764
  291    HA   PRO 113           HA       PRO 113  15.068   1.849  14.051
  292    HB2  PRO 113           HB2      PRO 113  15.359  -0.652  12.813
  293    HB3  PRO 113           HB3      PRO 113  16.562   0.669  12.794
  294    HG2  PRO 113           HG2      PRO 113  16.483  -1.734  14.582
  295    HG3  PRO 113           HG3      PRO 113  17.894  -0.919  13.784
  296    HD2  PRO 113           HD2      PRO 113  17.305  -0.569  16.399
  297    HD3  PRO 113           HD3      PRO 113  17.954   0.757  15.383
  298    H    GLU 114           H        GLU 114  14.271  -1.112  15.920
  299    HA   GLU 114           HA       GLU 114  11.717  -1.520  14.702
  300    HB2  GLU 114           HB2      GLU 114  12.846  -2.350  17.405
  301    HB3  GLU 114           HB3      GLU 114  11.286  -2.894  16.773
  302    HG2  GLU 114           HG2      GLU 114  12.420  -3.880  14.798
  303    HG3  GLU 114           HG3      GLU 114  13.988  -3.402  15.458
  304    H    ALA 115           H        ALA 115  12.747   0.317  17.556
  305    HA   ALA 115           HA       ALA 115  10.124   1.132  18.447
  306    HB1  ALA 115           HB1      ALA 115  11.400   2.858  19.707
  307    HB2  ALA 115           HB2      ALA 115  12.107   1.231  19.888
  308    HB3  ALA 115           HB3      ALA 115  12.865   2.423  18.810
  309    H    VAL 116           H        VAL 116  12.599   2.774  16.404
  310    HA   VAL 116           HA       VAL 116  11.007   5.062  15.804
  311    HB   VAL 116           HB       VAL 116  13.329   3.791  14.330
  312   HG11  VAL 116          HG11      VAL 116  13.635   6.037  13.286
  313   HG12  VAL 116          HG12      VAL 116  12.141   5.262  12.749
  314   HG13  VAL 116          HG13      VAL 116  12.086   6.552  13.970
  315   HG21  VAL 116          HG21      VAL 116  14.637   5.535  15.419
  316   HG22  VAL 116          HG22      VAL 116  13.200   6.200  16.195
  317   HG23  VAL 116          HG23      VAL 116  13.814   4.623  16.671
  318    H    GLU 117           H        GLU 117  11.240   1.912  14.013
  319    HA   GLU 117           HA       GLU 117   9.448   2.797  11.916
  320    HB2  GLU 117           HB2      GLU 117  10.349   0.066  12.892
  321    HB3  GLU 117           HB3      GLU 117   9.148   0.269  11.603
  322    HG2  GLU 117           HG2      GLU 117  10.689   1.568  10.248
  323    HG3  GLU 117           HG3      GLU 117  11.901   1.573  11.518
  324    H    SER 118           H        SER 118   8.885   1.649  15.196
  325    HA   SER 118           HA       SER 118   6.014   1.276  14.850
  326    HB2  SER 118           HB2      SER 118   7.264   0.174  16.584
  327    HB3  SER 118           HB3      SER 118   7.541   1.726  17.406
  328    HG   SER 118           HG       SER 118   5.690   0.552  18.215
  329    H    TRP 119           H        TRP 119   8.114   4.093  15.430
  330    HA   TRP 119           HA       TRP 119   5.979   5.933  16.144
  331    HB2  TRP 119           HB2      TRP 119   8.599   6.643  14.795
  332    HB3  TRP 119           HB3      TRP 119   7.539   7.702  15.677
  333    HD1  TRP 119           HD1      TRP 119   7.530   5.214  18.101
  334    HE1  TRP 119           HE1      TRP 119   9.426   5.386  19.805
  335    HE3  TRP 119           HE3      TRP 119  10.690   8.377  15.524
  336    HZ2  TRP 119           HZ2      TRP 119  12.021   6.583  19.982
  337    HZ3  TRP 119           HZ3      TRP 119  12.802   9.117  16.582
  338    HH2  TRP 119           HH2      TRP 119  13.501   8.217  18.780
  339    H    ALA 120           H        ALA 120   6.850   4.439  13.150
  340    HA   ALA 120           HA       ALA 120   6.313   6.542  11.348
  341    HB1  ALA 120           HB1      ALA 120   5.903   3.586  10.781
  342    HB2  ALA 120           HB2      ALA 120   6.265   4.873   9.612
  343    HB3  ALA 120           HB3      ALA 120   7.488   4.382  10.795
  344    H    THR 121           H        THR 121   4.540   7.274  10.279
  345    HA   THR 121           HA       THR 121   1.964   5.754  10.260
  346    HB   THR 121           HB       THR 121   0.931   8.173  10.201
  347    HG1  THR 121           HG1      THR 121   1.955   9.562  11.689
  348   HG21  THR 121          HG21      THR 121   1.766   6.897  12.825
  349   HG22  THR 121          HG22      THR 121   0.433   8.058  12.578
  350   HG23  THR 121          HG23      THR 121   0.348   6.452  11.840
  351    H    LEU 122           H        LEU 122   1.420   5.266   8.358
  352    HA   LEU 122           HA       LEU 122   2.418   6.463   5.925
  353    HB2  LEU 122           HB2      LEU 122   0.121   4.616   6.658
  354    HB3  LEU 122           HB3      LEU 122   0.432   5.091   4.984
  355    HG   LEU 122           HG       LEU 122   2.525   3.728   6.731
  356   HD11  LEU 122          HD11      LEU 122   0.570   2.239   6.485
  357   HD12  LEU 122          HD12      LEU 122   0.595   2.468   4.730
  358   HD13  LEU 122          HD13      LEU 122   1.943   1.639   5.535
  359   HD21  LEU 122          HD21      LEU 122   3.555   3.174   4.536
  360   HD22  LEU 122          HD22      LEU 122   2.247   4.029   3.696
  361   HD23  LEU 122          HD23      LEU 122   3.391   4.930   4.708
  362    H    LEU 123           H        LEU 123   1.708   8.181   4.815
  363    HA   LEU 123           HA       LEU 123  -0.769   9.587   5.719
  364    HB2  LEU 123           HB2      LEU 123   1.445  10.586   3.884
  365    HB3  LEU 123           HB3      LEU 123   0.110  11.519   4.546
  366    HG   LEU 123           HG       LEU 123   2.516  10.416   6.050
  367   HD11  LEU 123          HD11      LEU 123   2.917  12.789   6.500
  368   HD12  LEU 123          HD12      LEU 123   2.800  12.518   4.759
  369   HD13  LEU 123          HD13      LEU 123   1.439  13.238   5.639
  370   HD21  LEU 123          HD21      LEU 123   1.541  11.548   8.072
  371   HD22  LEU 123          HD22      LEU 123   0.029  11.799   7.178
  372   HD23  LEU 123          HD23      LEU 123   0.592  10.154   7.560
  373    H    GLY 124           H        GLY 124  -2.060  10.658   3.944
  374    HA2  GLY 124           HA2      GLY 124  -1.976   9.798   1.223
  375    HA3  GLY 124           HA3      GLY 124  -3.155   8.817   2.101
  376    H    HIS 125           H        HIS 125  -4.288  10.082   0.188
  377    HA   HIS 125           HA       HIS 125  -5.924  12.201   1.407
  378    HB2  HIS 125           HB2      HIS 125  -4.132  13.383   0.397
  379    HB3  HIS 125           HB3      HIS 125  -4.462  12.660  -1.186
  380    HD1  HIS 125           HD1      HIS 125  -7.797  13.293  -0.358
  381    HD2  HIS 125           HD2      HIS 125  -4.441  15.776  -0.962
  382    HE1  HIS 125           HE1      HIS 125  -8.724  15.648  -0.941
  383    HE2  HIS 125           HE2      HIS 125  -6.660  17.150  -1.314
  Start of MODEL   20
    1    H    ALA  79           H1       ALA  79   0.823   2.332  -2.017
    2    HA   ALA  79           HA       ALA  79   2.836   1.102  -2.541
    3    HB1  ALA  79           HB1      ALA  79   2.212   0.393  -4.817
    4    HB2  ALA  79           HB2      ALA  79   2.361   2.069  -5.397
    5    HB3  ALA  79           HB3      ALA  79   3.788   1.188  -4.803
    6    H    ARG  80           H        ARG  80   4.511   2.136  -1.736
    7    HA   ARG  80           HA       ARG  80   5.993   3.740  -1.088
    8    HB2  ARG  80           HB2      ARG  80   5.756   4.545  -3.984
    9    HB3  ARG  80           HB3      ARG  80   7.088   4.895  -2.857
   10    HG2  ARG  80           HG2      ARG  80   7.413   2.472  -2.477
   11    HG3  ARG  80           HG3      ARG  80   6.186   2.113  -3.706
   12    HD2  ARG  80           HD2      ARG  80   7.521   3.312  -5.413
   13    HD3  ARG  80           HD3      ARG  80   8.769   3.652  -4.190
   14    HE   ARG  80           HE       ARG  80   8.329   0.849  -4.214
   15   HH11  ARG  80          HH11      ARG  80   9.679   3.231  -6.405
   16   HH12  ARG  80          HH12      ARG  80  10.723   2.067  -7.171
   17   HH21  ARG  80          HH21      ARG  80   9.677  -0.584  -5.225
   18   HH22  ARG  80          HH22      ARG  80  10.724  -0.045  -6.505
   19    H    LYS  81           H        LYS  81   3.290   4.574  -0.471
   20    HA   LYS  81           HA       LYS  81   3.194   7.514  -0.629
   21    HB2  LYS  81           HB2      LYS  81   1.690   5.446   1.036
   22    HB3  LYS  81           HB3      LYS  81   1.479   7.192   1.266
   23    HG2  LYS  81           HG2      LYS  81   0.918   7.407  -1.171
   24    HG3  LYS  81           HG3      LYS  81   0.940   5.636  -1.296
   25    HD2  LYS  81           HD2      LYS  81  -0.832   5.528   0.463
   26    HD3  LYS  81           HD3      LYS  81  -0.891   7.303   0.485
   27    HE2  LYS  81           HE2      LYS  81  -1.469   5.564  -1.962
   28    HE3  LYS  81           HE3      LYS  81  -2.702   6.171  -0.858
   29    HZ1  LYS  81           HZ1      LYS  81  -2.513   7.626  -2.765
   30    HZ2  LYS  81           HZ2      LYS  81  -2.023   8.457  -1.450
   31    HZ3  LYS  81           HZ3      LYS  81  -0.925   7.889  -2.526
   32    H    VAL  82           H        VAL  82   3.321   8.896   1.125
   33    HA   VAL  82           HA       VAL  82   5.906   8.854   2.367
   34    HB   VAL  82           HB       VAL  82   3.479  10.623   2.852
   35   HG11  VAL  82          HG11      VAL  82   4.882  10.913   4.811
   36   HG12  VAL  82          HG12      VAL  82   6.353  11.033   3.807
   37   HG13  VAL  82          HG13      VAL  82   5.114  12.302   3.762
   38   HG21  VAL  82          HG21      VAL  82   4.453  10.750   0.538
   39   HG22  VAL  82          HG22      VAL  82   4.700  12.248   1.439
   40   HG23  VAL  82          HG23      VAL  82   6.043  11.104   1.250
   41    H    LYS  83           H        LYS  83   6.623   8.336   4.334
   42    HA   LYS  83           HA       LYS  83   4.724   7.515   6.511
   43    HB2  LYS  83           HB2      LYS  83   7.626   6.783   5.936
   44    HB3  LYS  83           HB3      LYS  83   6.894   6.609   7.544
   45    HG2  LYS  83           HG2      LYS  83   5.161   5.130   6.657
   46    HG3  LYS  83           HG3      LYS  83   5.857   5.254   5.028
   47    HD2  LYS  83           HD2      LYS  83   7.888   4.152   5.709
   48    HD3  LYS  83           HD3      LYS  83   7.461   4.276   7.431
   49    HE2  LYS  83           HE2      LYS  83   5.581   2.755   7.155
   50    HE3  LYS  83           HE3      LYS  83   5.833   2.687   5.402
   51    HZ1  LYS  83           HZ1      LYS  83   6.805   0.743   6.498
   52    HZ2  LYS  83           HZ2      LYS  83   7.999   1.618   5.812
   53    HZ3  LYS  83           HZ3      LYS  83   7.766   1.672   7.435
   54    H    GLN  84           H        GLN  84   4.387   9.018   7.925
   55    HA   GLN  84           HA       GLN  84   6.313  11.219   8.477
   56    HB2  GLN  84           HB2      GLN  84   3.878  11.692   8.224
   57    HB3  GLN  84           HB3      GLN  84   3.525  10.595   9.559
   58    HG2  GLN  84           HG2      GLN  84   4.820  12.078  11.091
   59    HG3  GLN  84           HG3      GLN  84   5.192  13.153   9.741
   60   HE21  GLN  84          HE22      GLN  84   3.406  14.490   8.813
   61   HE22  GLN  84          HE21      GLN  84   1.936  14.672   9.759
   62    H    TYR  85           H        TYR  85   7.310  11.381  10.486
   63    HA   TYR  85           HA       TYR  85   6.993   9.163  12.467
   64    HB2  TYR  85           HB2      TYR  85   9.634  10.272  11.441
   65    HB3  TYR  85           HB3      TYR  85   9.463   9.230  12.826
   66    HD1  TYR  85           HD1      TYR  85   9.025   9.349   9.100
   67    HD2  TYR  85           HD2      TYR  85   9.541   6.891  12.606
   68    HE1  TYR  85           HE1      TYR  85   9.443   7.360   7.659
   69    HE2  TYR  85           HE2      TYR  85  10.004   4.924  11.178
   70    HH   TYR  85           HH       TYR  85  10.177   4.121   8.993
   71    H    LYS  86           H        LYS  86   7.369   9.825  14.603
   72    HA   LYS  86           HA       LYS  86   8.019  12.685  15.144
   73    HB2  LYS  86           HB2      LYS  86   5.566  12.352  15.284
   74    HB3  LYS  86           HB3      LYS  86   5.809  11.029  16.443
   75    HG2  LYS  86           HG2      LYS  86   6.727  12.560  18.103
   76    HG3  LYS  86           HG3      LYS  86   6.711  13.897  16.945
   77    HD2  LYS  86           HD2      LYS  86   4.225  13.745  16.814
   78    HD3  LYS  86           HD3      LYS  86   4.259  12.407  17.978
   79    HE2  LYS  86           HE2      LYS  86   5.306  13.904  19.669
   80    HE3  LYS  86           HE3      LYS  86   5.297  15.234  18.503
   81    HZ1  LYS  86           HZ1      LYS  86   2.853  13.884  19.561
   82    HZ2  LYS  86           HZ2      LYS  86   3.376  15.364  19.999
   83    HZ3  LYS  86           HZ3      LYS  86   2.846  15.109  18.477
   84    H    ASN  87           H        ASN  87   9.286  13.008  16.934
   85    HA   ASN  87           HA       ASN  87  10.420  10.541  18.229
   86    HB2  ASN  87           HB2      ASN  87  11.875  11.685  16.640
   87    HB3  ASN  87           HB3      ASN  87  11.799  13.165  17.591
   88   HD21  ASN  87          HD22      ASN  87  14.234  11.888  17.006
   89   HD22  ASN  87          HD21      ASN  87  14.858  11.196  18.501
   90    HA   PRO  88           HA       PRO  88   8.363  12.513  21.864
   91    HB2  PRO  88           HB2      PRO  88   9.328   9.812  22.828
   92    HB3  PRO  88           HB3      PRO  88   7.841  10.698  23.287
   93    HG2  PRO  88           HG2      PRO  88   7.732   8.717  21.446
   94    HG3  PRO  88           HG3      PRO  88   6.836  10.246  21.161
   95    HD2  PRO  88           HD2      PRO  88   9.453   9.343  19.975
   96    HD3  PRO  88           HD3      PRO  88   8.096  10.234  19.220
   97    H    HIS  89           H        HIS  89  11.665  11.230  21.512
   98    HA   HIS  89           HA       HIS  89  12.573  12.193  24.121
   99    HB2  HIS  89           HB2      HIS  89  14.204  11.222  21.733
  100    HB3  HIS  89           HB3      HIS  89  14.781  11.449  23.374
  101    HD1  HIS  89           HD1      HIS  89  13.734   9.707  25.264
  102    HD2  HIS  89           HD2      HIS  89  12.967   8.935  21.185
  103    HE1  HIS  89           HE1      HIS  89  12.905   7.270  25.132
  104    HE2  HIS  89           HE2      HIS  89  12.425   6.805  22.650
  105    H    THR  90           H        THR  90  12.273  13.691  20.985
  106    HA   THR  90           HA       THR  90  13.828  16.077  21.946
  107    HB   THR  90           HB       THR  90  14.563  16.435  19.683
  108    HG1  THR  90           HG1      THR  90  13.955  15.075  18.045
  109   HG21  THR  90          HG21      THR  90  15.883  14.750  21.026
  110   HG22  THR  90          HG22      THR  90  14.918  13.463  20.263
  111   HG23  THR  90          HG23      THR  90  15.967  14.494  19.274
  112    H    GLY  91           H        GLY  91  10.826  15.001  20.537
  113    HA2  GLY  91           HA2      GLY  91   8.828  16.239  20.446
  114    HA3  GLY  91           HA3      GLY  91   9.727  17.756  20.507
  115    H    GLU  92           H        GLU  92  11.402  16.015  18.237
  116    HA   GLU  92           HA       GLU  92  10.417  17.574  16.050
  117    HB2  GLU  92           HB2      GLU  92  12.495  15.444  16.466
  118    HB3  GLU  92           HB3      GLU  92  11.921  15.688  14.821
  119    HG2  GLU  92           HG2      GLU  92  12.430  17.886  14.716
  120    HG3  GLU  92           HG3      GLU  92  12.767  18.034  16.469
  121    H    VAL  93           H        VAL  93   9.544  17.048  14.108
  122    HA   VAL  93           HA       VAL  93   8.391  14.358  13.627
  123    HB   VAL  93           HB       VAL  93   7.211  17.049  12.882
  124   HG11  VAL  93          HG11      VAL  93   6.032  14.244  12.635
  125   HG12  VAL  93          HG12      VAL  93   5.186  15.752  12.240
  126   HG13  VAL  93          HG13      VAL  93   6.577  15.254  11.276
  127   HG21  VAL  93          HG21      VAL  93   6.997  16.771  15.255
  128   HG22  VAL  93          HG22      VAL  93   5.412  16.577  14.501
  129   HG23  VAL  93          HG23      VAL  93   6.309  15.137  15.046
  130    H    ILE  94           H        ILE  94   8.700  13.612  11.554
  131    HA   ILE  94           HA       ILE  94   9.774  15.343   9.424
  132    HB   ILE  94           HB       ILE  94  11.510  13.689   8.812
  133   HG12  ILE  94          HG12      ILE  94  10.916  12.404  11.501
  134   HG13  ILE  94          HG13      ILE  94  10.575  11.707   9.918
  135   HG21  ILE  94          HG21      ILE  94  11.984  14.817  11.590
  136   HG22  ILE  94          HG22      ILE  94  13.192  14.448  10.344
  137   HG23  ILE  94          HG23      ILE  94  12.024  15.748  10.076
  138   HD11  ILE  94          HD11      ILE  94  12.976  11.627   9.393
  139   HD12  ILE  94          HD12      ILE  94  13.349  12.256  11.027
  140   HD13  ILE  94          HD13      ILE  94  12.555  10.689  10.837
  141    H    GLU  95           H        GLU  95   9.765  14.256   7.368
  142    HA   GLU  95           HA       GLU  95   7.911  11.956   7.010
  143    HB2  GLU  95           HB2      GLU  95   7.630  14.750   5.849
  144    HB3  GLU  95           HB3      GLU  95   6.960  13.337   5.023
  145    HG2  GLU  95           HG2      GLU  95   5.542  12.786   6.876
  146    HG3  GLU  95           HG3      GLU  95   6.313  13.997   7.908
  147    H    THR  96           H        THR  96   8.480  10.586   5.454
  148    HA   THR  96           HA       THR  96  10.218  11.362   3.195
  149    HB   THR  96           HB       THR  96  11.931  10.833   4.739
  150    HG1  THR  96           HG1      THR  96  12.845   9.070   3.729
  151   HG21  THR  96          HG21      THR  96  12.074   8.655   5.944
  152   HG22  THR  96          HG22      THR  96  10.745   9.661   6.532
  153   HG23  THR  96          HG23      THR  96  10.404   8.286   5.452
  154    H    LYS  97           H        LYS  97  10.294   9.692   1.518
  155    HA   LYS  97           HA       LYS  97   7.865   7.943   1.439
  156    HB2  LYS  97           HB2      LYS  97   9.951   8.667  -0.660
  157    HB3  LYS  97           HB3      LYS  97   8.606   7.544  -0.923
  158    HG2  LYS  97           HG2      LYS  97   6.973   9.328  -0.403
  159    HG3  LYS  97           HG3      LYS  97   8.294  10.465  -0.115
  160    HD2  LYS  97           HD2      LYS  97   7.412  10.884  -2.298
  161    HD3  LYS  97           HD3      LYS  97   9.031  10.191  -2.485
  162    HE2  LYS  97           HE2      LYS  97   8.028   7.969  -2.996
  163    HE3  LYS  97           HE3      LYS  97   6.411   8.629  -2.734
  164    HZ1  LYS  97           HZ1      LYS  97   8.294   9.526  -4.869
  165    HZ2  LYS  97           HZ2      LYS  97   6.979   8.588  -5.106
  166    HZ3  LYS  97           HZ3      LYS  97   6.795  10.135  -4.632
  167    H    GLY  98           H        GLY  98  10.954   7.588   2.633
  168    HA2  GLY  98           HA2      GLY  98  11.372   5.451   3.735
  169    HA3  GLY  98           HA3      GLY  98  10.876   4.602   2.277
  170    H    GLY  99           H        GLY  99  12.783   7.262   1.357
  171    HA2  GLY  99           HA2      GLY  99  15.066   5.625   0.602
  172    HA3  GLY  99           HA3      GLY  99  14.879   7.360   0.379
  173    H    ASN 100           H        ASN 100  17.312   6.758   0.951
  174    HA   ASN 100           HA       ASN 100  18.038   6.495   3.724
  175    HB2  ASN 100           HB2      ASN 100  19.483   5.803   1.844
  176    HB3  ASN 100           HB3      ASN 100  19.622   7.482   1.316
  177   HD21  ASN 100          HD22      ASN 100  21.975   7.173   1.559
  178   HD22  ASN 100          HD21      ASN 100  22.678   7.286   3.164
  179    H    HIS 101           H        HIS 101  16.710   8.037   4.762
  180    HA   HIS 101           HA       HIS 101  17.331  10.933   4.414
  181    HB2  HIS 101           HB2      HIS 101  14.995  10.041   4.270
  182    HB3  HIS 101           HB3      HIS 101  15.084   9.557   5.961
  183    HD1  HIS 101           HD1      HIS 101  14.851  11.586   7.753
  184    HD2  HIS 101           HD2      HIS 101  14.786  12.653   3.679
  185    HE1  HIS 101           HE1      HIS 101  14.307  14.113   7.683
  186    HE2  HIS 101           HE2      HIS 101  14.197  14.730   5.176
  187    H    LYS 102           H        LYS 102  19.277  11.180   5.470
  188    HA   LYS 102           HA       LYS 102  20.451   9.888   7.510
  189    HB2  LYS 102           HB2      LYS 102  21.470  11.664   6.132
  190    HB3  LYS 102           HB3      LYS 102  20.554  12.893   6.991
  191    HG2  LYS 102           HG2      LYS 102  22.824  12.915   7.738
  192    HG3  LYS 102           HG3      LYS 102  21.809  12.388   9.072
  193    HD2  LYS 102           HD2      LYS 102  22.505  10.037   8.724
  194    HD3  LYS 102           HD3      LYS 102  23.425  10.521   7.275
  195    HE2  LYS 102           HE2      LYS 102  24.811  12.047   8.712
  196    HE3  LYS 102           HE3      LYS 102  23.939  11.481  10.135
  197    HZ1  LYS 102           HZ1      LYS 102  24.816   9.231   9.689
  198    HZ2  LYS 102           HZ2      LYS 102  25.605   9.760   8.352
  199    HZ3  LYS 102           HZ3      LYS 102  26.046  10.290   9.827
  200    H    THR 103           H        THR 103  18.303  12.667   8.264
  201    HA   THR 103           HA       THR 103  18.558  12.611  11.053
  202    HB   THR 103           HB       THR 103  16.007  13.229   9.505
  203    HG1  THR 103           HG1      THR 103  16.918  15.345   9.409
  204   HG21  THR 103          HG21      THR 103  15.618  14.918  11.254
  205   HG22  THR 103          HG22      THR 103  15.656  13.292  11.946
  206   HG23  THR 103          HG23      THR 103  17.065  14.355  12.130
  207    H    LEU 104           H        LEU 104  16.522  10.475   9.065
  208    HA   LEU 104           HA       LEU 104  15.083   9.301  11.356
  209    HB2  LEU 104           HB2      LEU 104  14.117   9.385   9.037
  210    HB3  LEU 104           HB3      LEU 104  15.441   8.369   8.460
  211    HG   LEU 104           HG       LEU 104  14.652   6.532   9.983
  212   HD11  LEU 104          HD11      LEU 104  12.383   6.669  10.907
  213   HD12  LEU 104          HD12      LEU 104  13.420   7.884  11.661
  214   HD13  LEU 104          HD13      LEU 104  12.246   8.359  10.408
  215   HD21  LEU 104          HD21      LEU 104  13.979   6.654   7.598
  216   HD22  LEU 104          HD22      LEU 104  12.744   5.900   8.624
  217   HD23  LEU 104          HD23      LEU 104  12.528   7.573   8.072
  218    H    LYS 105           H        LYS 105  17.860   8.419   9.214
  219    HA   LYS 105           HA       LYS 105  18.498   5.953  10.427
  220    HB2  LYS 105           HB2      LYS 105  19.457   7.191   8.305
  221    HB3  LYS 105           HB3      LYS 105  20.663   7.822   9.463
  222    HG2  LYS 105           HG2      LYS 105  21.243   5.481  10.083
  223    HG3  LYS 105           HG3      LYS 105  20.023   4.883   8.946
  224    HD2  LYS 105           HD2      LYS 105  21.246   6.029   7.082
  225    HD3  LYS 105           HD3      LYS 105  22.527   6.478   8.210
  226    HE2  LYS 105           HE2      LYS 105  21.638   3.617   7.565
  227    HE3  LYS 105           HE3      LYS 105  22.986   4.440   6.788
  228    HZ1  LYS 105           HZ1      LYS 105  22.847   3.780   9.692
  229    HZ2  LYS 105           HZ2      LYS 105  23.790   3.054   8.577
  230    HZ3  LYS 105           HZ3      LYS 105  24.080   4.600   8.972
  231    H    GLU 106           H        GLU 106  19.648   9.218  11.300
  232    HA   GLU 106           HA       GLU 106  21.178   8.458  13.532
  233    HB2  GLU 106           HB2      GLU 106  19.671  10.983  12.794
  234    HB3  GLU 106           HB3      GLU 106  20.327  10.819  14.423
  235    HG2  GLU 106           HG2      GLU 106  22.552  10.324  13.505
  236    HG3  GLU 106           HG3      GLU 106  21.915  10.537  11.857
  237    H    TRP 107           H        TRP 107  17.665   9.176  13.413
  238    HA   TRP 107           HA       TRP 107  17.213   8.702  16.195
  239    HB2  TRP 107           HB2      TRP 107  15.286   8.384  13.864
  240    HB3  TRP 107           HB3      TRP 107  14.843   8.385  15.556
  241    HD1  TRP 107           HD1      TRP 107  17.347  11.024  15.270
  242    HE1  TRP 107           HE1      TRP 107  16.299  13.336  15.025
  243    HE3  TRP 107           HE3      TRP 107  12.539   9.639  14.102
  244    HZ2  TRP 107           HZ2      TRP 107  13.784  14.453  14.343
  245    HZ3  TRP 107           HZ3      TRP 107  10.816  11.394  13.708
  246    HH2  TRP 107           HH2      TRP 107  11.433  13.817  13.831
  247    H    LYS 108           H        LYS 108  17.177   6.412  13.457
  248    HA   LYS 108           HA       LYS 108  16.356   4.075  14.978
  249    HB2  LYS 108           HB2      LYS 108  18.041   4.277  12.430
  250    HB3  LYS 108           HB3      LYS 108  17.330   2.774  13.084
  251    HG2  LYS 108           HG2      LYS 108  15.056   3.765  12.833
  252    HG3  LYS 108           HG3      LYS 108  15.757   5.197  12.131
  253    HD2  LYS 108           HD2      LYS 108  15.489   4.229  10.120
  254    HD3  LYS 108           HD3      LYS 108  16.882   3.218  10.529
  255    HE2  LYS 108           HE2      LYS 108  15.272   1.603  11.622
  256    HE3  LYS 108           HE3      LYS 108  13.932   2.610  11.066
  257    HZ1  LYS 108           HZ1      LYS 108  14.662   2.147   8.752
  258    HZ2  LYS 108           HZ2      LYS 108  15.856   1.165   9.295
  259    HZ3  LYS 108           HZ3      LYS 108  14.281   0.770   9.558
  260    H    ALA 109           H        ALA 109  19.544   5.489  14.321
  261    HA   ALA 109           HA       ALA 109  21.039   3.430  15.691
  262    HB1  ALA 109           HB1      ALA 109  21.754   6.324  15.058
  263    HB2  ALA 109           HB2      ALA 109  22.896   5.040  15.510
  264    HB3  ALA 109           HB3      ALA 109  21.998   4.930  13.983
  265    H    LYS 110           H        LYS 110  19.681   6.541  16.745
  266    HA   LYS 110           HA       LYS 110  20.906   6.455  19.394
  267    HB2  LYS 110           HB2      LYS 110  18.852   8.277  18.098
  268    HB3  LYS 110           HB3      LYS 110  19.450   8.522  19.742
  269    HG2  LYS 110           HG2      LYS 110  21.723   8.850  18.975
  270    HG3  LYS 110           HG3      LYS 110  21.305   8.371  17.332
  271    HD2  LYS 110           HD2      LYS 110  19.679  10.351  17.286
  272    HD3  LYS 110           HD3      LYS 110  20.425  10.878  18.811
  273    HE2  LYS 110           HE2      LYS 110  22.671  10.827  17.638
  274    HE3  LYS 110           HE3      LYS 110  21.833  10.416  16.131
  275    HZ1  LYS 110           HZ1      LYS 110  22.047  12.714  16.003
  276    HZ2  LYS 110           HZ2      LYS 110  20.535  12.606  16.586
  277    HZ3  LYS 110           HZ3      LYS 110  21.758  12.981  17.608
  278    H    TRP 111           H        TRP 111  17.656   5.685  18.238
  279    HA   TRP 111           HA       TRP 111  16.879   4.874  21.018
  280    HB2  TRP 111           HB2      TRP 111  15.244   6.306  18.896
  281    HB3  TRP 111           HB3      TRP 111  14.603   5.704  20.421
  282    HD1  TRP 111           HD1      TRP 111  15.943   6.641  22.701
  283    HE1  TRP 111           HE1      TRP 111  16.850   8.973  23.234
  284    HE3  TRP 111           HE3      TRP 111  15.960   8.598  17.988
  285    HZ2  TRP 111           HZ2      TRP 111  17.670  11.335  21.780
  286    HZ3  TRP 111           HZ3      TRP 111  16.908  10.873  17.578
  287    HH2  TRP 111           HH2      TRP 111  17.747  12.243  19.462
  288    H    GLY 112           H        GLY 112  17.388   3.510  18.013
  289    HA2  GLY 112           HA2      GLY 112  17.330   1.158  17.868
  290    HA3  GLY 112           HA3      GLY 112  15.868   1.075  18.831
  291    HA   PRO 113           HA       PRO 113  15.077   1.862  14.086
  292    HB2  PRO 113           HB2      PRO 113  15.377  -0.670  12.903
  293    HB3  PRO 113           HB3      PRO 113  16.574   0.655  12.852
  294    HG2  PRO 113           HG2      PRO 113  16.501  -1.712  14.689
  295    HG3  PRO 113           HG3      PRO 113  17.910  -0.897  13.882
  296    HD2  PRO 113           HD2      PRO 113  17.301  -0.513  16.495
  297    HD3  PRO 113           HD3      PRO 113  17.955   0.795  15.460
  298    H    GLU 114           H        GLU 114  14.272  -1.063  15.996
  299    HA   GLU 114           HA       GLU 114  11.730  -1.495  14.765
  300    HB2  GLU 114           HB2      GLU 114  12.839  -2.290  17.485
  301    HB3  GLU 114           HB3      GLU 114  11.285  -2.857  16.853
  302    HG2  GLU 114           HG2      GLU 114  12.457  -3.854  14.887
  303    HG3  GLU 114           HG3      GLU 114  14.009  -3.368  15.574
  304    H    ALA 115           H        ALA 115  12.732   0.379  17.599
  305    HA   ALA 115           HA       ALA 115  10.091   1.196  18.459
  306    HB1  ALA 115           HB1      ALA 115  12.078   1.328  19.924
  307    HB2  ALA 115           HB2      ALA 115  12.821   2.502  18.831
  308    HB3  ALA 115           HB3      ALA 115  11.347   2.939  19.711
  309    H    VAL 116           H        VAL 116  12.599   2.815  16.432
  310    HA   VAL 116           HA       VAL 116  11.023   5.097  15.790
  311    HB   VAL 116           HB       VAL 116  13.357   3.808  14.360
  312   HG11  VAL 116          HG11      VAL 116  12.188   5.258  12.750
  313   HG12  VAL 116          HG12      VAL 116  12.138   6.575  13.945
  314   HG13  VAL 116          HG13      VAL 116  13.691   6.026  13.282
  315   HG21  VAL 116          HG21      VAL 116  13.214   6.246  16.189
  316   HG22  VAL 116          HG22      VAL 116  13.799   4.672  16.707
  317   HG23  VAL 116          HG23      VAL 116  14.656   5.554  15.452
  318    H    GLU 117           H        GLU 117  11.264   1.932  14.021
  319    HA   GLU 117           HA       GLU 117   9.494   2.824  11.900
  320    HB2  GLU 117           HB2      GLU 117  10.365   0.084  12.901
  321    HB3  GLU 117           HB3      GLU 117   9.188   0.290  11.593
  322    HG2  GLU 117           HG2      GLU 117  10.767   1.586  10.269
  323    HG3  GLU 117           HG3      GLU 117  11.958   1.548  11.562
  324    H    SER 118           H        SER 118   8.895   1.658  15.177
  325    HA   SER 118           HA       SER 118   6.032   1.280  14.799
  326    HB2  SER 118           HB2      SER 118   7.268   0.207  16.565
  327    HB3  SER 118           HB3      SER 118   7.523   1.777  17.371
  328    HG   SER 118           HG       SER 118   5.670   0.590  18.163
  329    H    TRP 119           H        TRP 119   8.115   4.107  15.377
  330    HA   TRP 119           HA       TRP 119   5.981   5.950  16.077
  331    HB2  TRP 119           HB2      TRP 119   8.620   6.641  14.756
  332    HB3  TRP 119           HB3      TRP 119   7.547   7.708  15.606
  333    HD1  TRP 119           HD1      TRP 119   7.484   5.252  18.059
  334    HE1  TRP 119           HE1      TRP 119   9.356   5.420  19.794
  335    HE3  TRP 119           HE3      TRP 119  10.714   8.344  15.499
  336    HZ2  TRP 119           HZ2      TRP 119  11.926   6.663  20.035
  337    HZ3  TRP 119           HZ3      TRP 119  12.805   9.101  16.588
  338    HH2  TRP 119           HH2      TRP 119  13.444   8.263  18.832
  339    H    ALA 120           H        ALA 120   6.862   4.440  13.087
  340    HA   ALA 120           HA       ALA 120   6.303   6.543  11.282
  341    HB1  ALA 120           HB1      ALA 120   7.517   4.402  10.732
  342    HB2  ALA 120           HB2      ALA 120   5.946   3.579  10.707
  343    HB3  ALA 120           HB3      ALA 120   6.286   4.875   9.550
  344    H    THR 121           H        THR 121   4.515   7.275  10.249
  345    HA   THR 121           HA       THR 121   1.960   5.717  10.228
  346    HB   THR 121           HB       THR 121   0.892   8.120  10.237
  347    HG1  THR 121           HG1      THR 121   1.942   9.514  11.699
  348   HG21  THR 121          HG21      THR 121   1.846   6.853  12.827
  349   HG22  THR 121          HG22      THR 121   0.481   7.985  12.633
  350   HG23  THR 121          HG23      THR 121   0.407   6.377  11.893
  351    H    LEU 122           H        LEU 122   1.330   5.285   8.334
  352    HA   LEU 122           HA       LEU 122   2.399   6.512   5.923
  353    HB2  LEU 122           HB2      LEU 122   0.210   4.508   6.596
  354    HB3  LEU 122           HB3      LEU 122   0.505   5.008   4.927
  355    HG   LEU 122           HG       LEU 122   2.691   3.816   6.686
  356   HD11  LEU 122          HD11      LEU 122   0.856   2.178   6.468
  357   HD12  LEU 122          HD12      LEU 122   0.857   2.397   4.703
  358   HD13  LEU 122          HD13      LEU 122   2.263   1.676   5.517
  359   HD21  LEU 122          HD21      LEU 122   3.748   3.328   4.489
  360   HD22  LEU 122          HD22      LEU 122   2.378   4.069   3.650
  361   HD23  LEU 122          HD23      LEU 122   3.452   5.064   4.648
  362    H    LEU 123           H        LEU 123   1.715   8.367   4.997
  363    HA   LEU 123           HA       LEU 123  -0.778   9.667   5.860
  364    HB2  LEU 123           HB2      LEU 123   1.288  10.528   3.790
  365    HB3  LEU 123           HB3      LEU 123  -0.013  11.513   4.457
  366    HG   LEU 123           HG       LEU 123   2.458  10.502   5.917
  367   HD11  LEU 123          HD11      LEU 123   2.914  12.881   6.190
  368   HD12  LEU 123          HD12      LEU 123   2.692  12.513   4.468
  369   HD13  LEU 123          HD13      LEU 123   1.395  13.303   5.380
  370   HD21  LEU 123          HD21      LEU 123   0.013  11.943   7.039
  371   HD22  LEU 123          HD22      LEU 123   0.651  10.358   7.542
  372   HD23  LEU 123          HD23      LEU 123   1.565  11.822   7.880
  373    H    GLY 124           H        GLY 124  -1.635   7.427   4.944
  374    HA2  GLY 124           HA2      GLY 124  -3.115   7.913   2.439
  375    HA3  GLY 124           HA3      GLY 124  -1.912   6.614   2.393
  376    H    HIS 125           H        HIS 125  -4.168   7.641   4.987
  377    HA   HIS 125           HA       HIS 125  -5.553   5.021   4.932
  378    HB2  HIS 125           HB2      HIS 125  -5.209   4.595   7.233
  379    HB3  HIS 125           HB3      HIS 125  -3.628   4.874   6.534
  380    HD1  HIS 125           HD1      HIS 125  -2.257   6.985   7.565
  381    HD2  HIS 125           HD2      HIS 125  -6.241   6.480   8.895
  382    HE1  HIS 125           HE1      HIS 125  -2.581   8.600   9.552
  383    HE2  HIS 125           HE2      HIS 125  -5.003   8.284  10.358